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 1wne_1_A DATA FIRST_RESID 1 DATA SEQUENCE GLIVDTRDVE ERVHVMRKTK LAPTVAHGVF NPEFGPAALS NKDPRLNEGV DATA SEQUENCE VLDEVIFSKH KGDTKMSAED KALFRRCAAD YASRLHSVLG TANAPLSIYE DATA SEQUENCE AIKGVDGLDA MEPDTAPGLP WALQGKRRGA LIDFENGTVG PEVEAALKLM DATA SEQUENCE EKREYKFACQ TFLKDEIRPM EKVRAGKTRI VDVLPVEHIL YTRMMIGRFC DATA SEQUENCE AQMHSNNGPQ IGSAVGCNPD VDWQRFGTHF AQYRNVWDVD YSAFDANHCS DATA SEQUENCE DAMNIMFEEV FRTEFGFHPN AEWILKTLVN TEHAYENKRI TVEGGMPSGC DATA SEQUENCE SATSIINTIL NNIYVLYALR RHYEGVELDT YTMISYGDDI VVASDYDLDF DATA SEQUENCE EALKPHFKSL GQTITPADKS DKGFVLGHSI TDVTFLKRHF HMDYGTGFYK DATA SEQUENCE PVMASKTLEA ILSFARRGTI QEKLISVAGL AVHSGPDEYR RLFEPFQGLF DATA SEQUENCE EIPSYRSLYL RWVNAVCGDA AALEHH 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.955 3.960 -0.009 0.000 0.244 1 G C 0.000 175.012 174.900 0.187 0.000 0.946 1 G CA 0.000 45.186 45.100 0.143 0.000 0.502 2 L N 0.792 122.086 121.223 0.118 0.000 2.272 2 L HA 0.671 5.006 4.340 -0.009 0.000 0.289 2 L C 0.017 176.922 176.870 0.059 0.000 1.032 2 L CA -0.821 54.067 54.840 0.080 0.000 0.810 2 L CB 0.860 42.943 42.059 0.039 0.000 1.205 2 L HN 0.413 nan 8.230 nan 0.000 0.422 3 I N 6.729 127.320 120.570 0.034 0.000 2.329 3 I HA 0.049 4.213 4.170 -0.009 0.000 0.295 3 I C 1.400 177.509 176.117 -0.014 0.000 1.109 3 I CA -0.303 60.989 61.300 -0.013 0.000 1.297 3 I CB 0.950 38.918 38.000 -0.054 0.000 1.433 3 I HN 0.710 nan 8.210 nan 0.000 0.509 4 V N 1.903 121.808 119.914 -0.015 0.000 2.427 4 V HA -0.057 4.058 4.120 -0.009 0.000 0.248 4 V C 0.465 176.543 176.094 -0.027 0.000 1.051 4 V CA 1.337 63.625 62.300 -0.019 0.000 1.048 4 V CB -0.408 31.402 31.823 -0.022 0.000 0.666 4 V HN 0.839 nan 8.190 nan 0.000 0.456 5 D N -1.933 118.446 120.400 -0.035 0.000 2.836 5 D HA 0.380 5.014 4.640 -0.009 0.000 0.215 5 D C -1.097 175.172 176.300 -0.052 0.000 1.255 5 D CA -0.144 53.832 54.000 -0.040 0.000 0.822 5 D CB 1.884 42.663 40.800 -0.036 0.000 1.656 5 D HN 0.084 nan 8.370 nan 0.000 0.511 6 T N 3.162 117.679 114.554 -0.061 0.000 3.042 6 T HA 0.392 4.737 4.350 -0.009 0.000 0.356 6 T C -0.015 174.646 174.700 -0.064 0.000 1.233 6 T CA -0.697 61.355 62.100 -0.080 0.000 1.038 6 T CB 0.056 68.859 68.868 -0.109 0.000 1.089 6 T HN 0.388 nan 8.240 nan 0.000 0.531 7 R N 1.369 121.838 120.500 -0.052 0.000 2.573 7 R HA 0.633 4.967 4.340 -0.009 0.000 0.272 7 R C -1.220 175.055 176.300 -0.041 0.000 1.009 7 R CA -0.927 55.148 56.100 -0.042 0.000 1.059 7 R CB 1.003 31.281 30.300 -0.036 0.000 1.112 7 R HN 0.148 nan 8.270 nan 0.000 0.517 8 D N 1.722 122.100 120.400 -0.036 0.000 2.381 8 D HA 0.237 4.872 4.640 -0.009 0.000 0.235 8 D C -0.715 175.568 176.300 -0.028 0.000 1.068 8 D CA -0.400 53.580 54.000 -0.034 0.000 0.832 8 D CB 2.327 43.107 40.800 -0.033 0.000 1.101 8 D HN 0.244 nan 8.370 nan 0.000 0.515 9 V N 2.281 122.178 119.914 -0.027 0.000 3.302 9 V HA 0.145 4.260 4.120 -0.009 0.000 0.316 9 V C 1.237 177.316 176.094 -0.024 0.000 1.111 9 V CA -0.125 62.161 62.300 -0.024 0.000 1.029 9 V CB 1.935 33.746 31.823 -0.021 0.000 1.170 9 V HN 0.474 nan 8.190 nan 0.000 0.452 10 E N 0.393 120.581 120.200 -0.020 0.000 2.051 10 E HA -0.007 4.338 4.350 -0.009 0.000 0.189 10 E C 0.428 177.016 176.600 -0.022 0.000 0.979 10 E CA 0.428 56.817 56.400 -0.019 0.000 0.803 10 E CB 0.055 29.747 29.700 -0.014 0.000 0.761 10 E HN 0.729 nan 8.360 nan 0.000 0.451 11 E N 1.056 121.245 120.200 -0.019 0.000 2.447 11 E HA 0.107 4.452 4.350 -0.009 0.000 0.259 11 E C 0.160 176.739 176.600 -0.035 0.000 1.196 11 E CA 0.331 56.719 56.400 -0.020 0.000 0.995 11 E CB 0.523 30.216 29.700 -0.012 0.000 0.974 11 E HN -0.051 nan 8.360 nan 0.000 0.465 12 R N 0.615 121.089 120.500 -0.043 0.000 2.658 12 R HA 0.169 4.504 4.340 -0.009 0.000 0.287 12 R C -1.903 174.345 176.300 -0.087 0.000 1.209 12 R CA -0.305 55.751 56.100 -0.074 0.000 1.046 12 R CB 1.020 31.274 30.300 -0.078 0.000 1.247 12 R HN 0.273 nan 8.270 nan 0.000 0.405 13 V N 3.927 123.774 119.914 -0.112 0.000 2.415 13 V HA 0.232 4.347 4.120 -0.009 0.000 0.267 13 V C 0.958 176.936 176.094 -0.193 0.000 1.042 13 V CA 0.367 62.589 62.300 -0.130 0.000 1.000 13 V CB 0.379 32.127 31.823 -0.125 0.000 1.015 13 V HN 0.849 nan 8.190 nan 0.000 0.478 14 H N 3.802 122.781 119.070 -0.152 0.000 2.944 14 H HA 0.448 4.998 4.556 -0.009 0.000 0.278 14 H C 0.740 175.951 175.328 -0.195 0.000 1.083 14 H CA 0.169 56.126 56.048 -0.151 0.000 1.479 14 H CB 1.040 30.749 29.762 -0.088 0.000 1.486 14 H HN 0.837 nan 8.280 nan 0.000 0.493 15 V N -0.441 119.343 119.914 -0.216 0.000 3.572 15 V HA 0.232 4.347 4.120 -0.009 0.000 0.260 15 V C 0.973 177.014 176.094 -0.089 0.000 1.324 15 V CA -0.340 61.829 62.300 -0.219 0.000 1.068 15 V CB -0.091 31.577 31.823 -0.259 0.000 0.837 15 V HN 0.704 nan 8.190 nan 0.000 0.450 16 M N 3.141 122.698 119.600 -0.073 0.000 2.235 16 M HA 0.297 4.772 4.480 -0.009 0.000 0.336 16 M C 0.440 176.735 176.300 -0.008 0.000 1.146 16 M CA 1.454 56.740 55.300 -0.022 0.000 1.018 16 M CB -0.255 32.328 32.600 -0.029 0.000 1.694 16 M HN 0.813 nan 8.290 nan 0.000 0.451 17 R N 1.001 121.509 120.500 0.013 0.000 3.000 17 R HA 0.594 4.929 4.340 -0.009 0.000 0.280 17 R C -1.635 174.680 176.300 0.026 0.000 0.950 17 R CA -1.211 54.901 56.100 0.020 0.000 0.822 17 R CB 0.853 31.169 30.300 0.028 0.000 1.445 17 R HN 0.283 nan 8.270 nan 0.000 0.492 18 K N 0.131 120.547 120.400 0.028 0.000 2.258 18 K HA 0.460 4.775 4.320 -0.009 0.000 0.236 18 K C -0.802 175.817 176.600 0.030 0.000 1.008 18 K CA -0.676 55.627 56.287 0.027 0.000 0.869 18 K CB 1.884 34.400 32.500 0.026 0.000 1.171 18 K HN 0.551 nan 8.250 nan 0.000 0.447 19 T N 0.204 114.774 114.554 0.026 0.000 2.907 19 T HA 0.156 4.500 4.350 -0.009 0.000 0.298 19 T C 0.299 175.019 174.700 0.035 0.000 1.017 19 T CA -0.099 62.015 62.100 0.024 0.000 1.118 19 T CB 0.293 69.164 68.868 0.005 0.000 0.948 19 T HN 0.437 nan 8.240 nan 0.000 0.531 20 K N 3.182 123.604 120.400 0.037 0.000 2.404 20 K HA 0.253 4.568 4.320 -0.009 0.000 0.194 20 K C 0.112 176.748 176.600 0.059 0.000 1.023 20 K CA 0.077 56.391 56.287 0.045 0.000 1.094 20 K CB 0.187 32.712 32.500 0.041 0.000 0.841 20 K HN 0.505 nan 8.250 nan 0.000 0.523 21 L N 2.086 123.345 121.223 0.060 0.000 2.325 21 L HA 0.255 4.590 4.340 -0.009 0.000 0.284 21 L C -0.008 176.965 176.870 0.171 0.000 1.089 21 L CA -0.642 54.258 54.840 0.100 0.000 0.836 21 L CB 0.712 42.797 42.059 0.044 0.000 1.184 21 L HN -0.006 nan 8.230 nan 0.000 0.444 22 A N 5.924 128.860 122.820 0.193 0.000 2.324 22 A HA 0.789 5.104 4.320 -0.009 0.000 0.330 22 A C -2.440 175.287 177.584 0.239 0.000 1.165 22 A CA -1.794 50.361 52.037 0.196 0.000 0.813 22 A CB 0.826 19.891 19.000 0.109 0.000 1.197 22 A HN 0.397 nan 8.150 nan 0.000 0.484 23 P HA 0.160 nan 4.420 nan 0.000 0.267 23 P C 0.261 177.520 177.300 -0.068 0.000 1.201 23 P CA 0.426 63.487 63.100 -0.065 0.000 0.775 23 P CB 0.612 32.203 31.700 -0.182 0.000 0.854 24 T N -2.270 112.211 114.554 -0.122 0.000 2.927 24 T HA 0.216 4.561 4.350 -0.009 0.000 0.286 24 T C 0.944 175.570 174.700 -0.122 0.000 1.040 24 T CA -0.664 61.403 62.100 -0.056 0.000 1.010 24 T CB 0.729 69.617 68.868 0.034 0.000 1.177 24 T HN 0.115 nan 8.240 nan 0.000 0.546 25 V N 0.751 120.546 119.914 -0.198 0.000 2.828 25 V HA -0.009 4.106 4.120 -0.009 0.000 0.260 25 V C 2.500 178.390 176.094 -0.341 0.000 1.101 25 V CA 2.393 64.523 62.300 -0.283 0.000 1.123 25 V CB -1.393 30.207 31.823 -0.371 0.000 0.704 25 V HN 1.018 nan 8.190 nan 0.000 0.493 26 A N -1.275 121.348 122.820 -0.328 0.000 2.016 26 A HA -0.152 4.163 4.320 -0.009 0.000 0.217 26 A C 2.128 179.637 177.584 -0.126 0.000 1.162 26 A CA 1.223 53.126 52.037 -0.223 0.000 0.662 26 A CB -0.840 18.271 19.000 0.184 0.000 0.812 26 A HN 0.769 nan 8.150 nan 0.000 0.450 27 H N 0.601 119.553 119.070 -0.196 0.000 2.251 27 H HA -0.163 4.388 4.556 -0.009 0.000 0.294 27 H C 2.243 177.483 175.328 -0.148 0.000 1.078 27 H CA 2.106 58.035 56.048 -0.199 0.000 1.246 27 H CB -0.838 28.724 29.762 -0.334 0.000 1.358 27 H HN 0.351 nan 8.280 nan 0.000 0.488 28 G N -0.353 108.519 108.800 0.120 0.000 2.564 28 G HA2 -0.117 3.838 3.960 -0.009 0.000 0.216 28 G HA3 -0.117 3.838 3.960 -0.009 0.000 0.216 28 G C 1.606 176.453 174.900 -0.089 0.000 1.124 28 G CA 1.052 46.175 45.100 0.039 0.000 0.764 28 G HN 0.408 nan 8.290 nan 0.000 0.550 29 V N -1.204 118.566 119.914 -0.240 0.000 3.379 29 V HA 0.251 4.366 4.120 -0.009 0.000 0.249 29 V C 1.850 177.687 176.094 -0.428 0.000 1.184 29 V CA 0.539 62.591 62.300 -0.413 0.000 1.106 29 V CB -0.222 31.190 31.823 -0.685 0.000 0.826 29 V HN 0.250 nan 8.190 nan 0.000 0.465 30 F N -0.110 119.786 119.950 -0.091 0.000 2.514 30 F HA 0.320 4.841 4.527 -0.009 0.000 0.281 30 F C 1.023 176.757 175.800 -0.110 0.000 1.060 30 F CA -0.469 57.472 58.000 -0.099 0.000 1.397 30 F CB -0.656 38.269 39.000 -0.125 0.000 1.129 30 F HN 0.141 nan 8.300 nan 0.000 0.620 31 N N 0.412 119.091 118.700 -0.035 0.000 2.681 31 N HA -0.135 4.600 4.740 -0.009 0.000 0.259 31 N C -2.740 172.755 175.510 -0.025 0.000 1.066 31 N CA 0.318 53.295 53.050 -0.120 0.000 0.717 31 N CB -1.508 36.997 38.487 0.029 0.000 0.885 31 N HN 0.167 nan 8.380 nan 0.000 0.547 32 P HA 0.084 nan 4.420 nan 0.000 0.275 32 P C 0.014 177.464 177.300 0.250 0.000 1.228 32 P CA -0.006 63.217 63.100 0.206 0.000 0.786 32 P CB 0.788 32.648 31.700 0.266 0.000 0.927 33 E N 1.272 121.572 120.200 0.166 0.000 2.322 33 E HA 0.124 4.468 4.350 -0.009 0.000 0.195 33 E C -0.410 175.974 176.600 -0.359 0.000 1.198 33 E CA 0.301 56.621 56.400 -0.134 0.000 1.132 33 E CB -0.760 28.768 29.700 -0.287 0.000 1.213 33 E HN 0.382 nan 8.360 nan 0.000 0.450 34 F N -0.602 119.382 119.950 0.056 0.000 2.577 34 F HA 0.709 5.231 4.527 -0.009 0.000 0.318 34 F C 0.870 176.675 175.800 0.009 0.000 1.065 34 F CA -1.031 56.984 58.000 0.026 0.000 0.929 34 F CB 2.186 41.201 39.000 0.024 0.000 1.237 34 F HN -0.141 nan 8.300 nan 0.000 0.468 35 G N 0.707 109.520 108.800 0.021 0.000 2.646 35 G HA2 0.582 4.537 3.960 -0.009 0.000 0.291 35 G HA3 0.582 4.537 3.960 -0.009 0.000 0.291 35 G C -3.435 171.299 174.900 -0.277 0.000 1.445 35 G CA -1.683 43.272 45.100 -0.243 0.000 0.814 35 G HN 0.244 nan 8.290 nan 0.000 0.495 36 P HA 0.297 nan 4.420 nan 0.000 0.264 36 P C 0.284 177.526 177.300 -0.098 0.000 1.179 36 P CA 0.347 63.322 63.100 -0.208 0.000 0.763 36 P CB 0.653 32.260 31.700 -0.156 0.000 0.806 37 A N 3.737 126.518 122.820 -0.065 0.000 2.477 37 A HA 0.423 4.738 4.320 -0.009 0.000 0.246 37 A C 0.616 178.191 177.584 -0.015 0.000 1.078 37 A CA -0.033 51.985 52.037 -0.032 0.000 0.770 37 A CB -0.318 18.670 19.000 -0.019 0.000 1.011 37 A HN 0.590 nan 8.150 nan 0.000 0.494 38 A N 2.789 125.605 122.820 -0.007 0.000 2.500 38 A HA 0.356 4.670 4.320 -0.009 0.000 0.285 38 A C 0.819 178.414 177.584 0.019 0.000 1.183 38 A CA -0.084 51.957 52.037 0.007 0.000 0.851 38 A CB -0.602 18.403 19.000 0.009 0.000 1.091 38 A HN 0.873 nan 8.150 nan 0.000 0.521 39 L N 2.044 123.281 121.223 0.024 0.000 2.558 39 L HA 0.101 4.436 4.340 -0.009 0.000 0.225 39 L C 1.190 178.089 176.870 0.048 0.000 1.128 39 L CA 0.453 55.316 54.840 0.039 0.000 0.868 39 L CB 0.050 42.131 42.059 0.036 0.000 1.006 39 L HN 0.639 nan 8.230 nan 0.000 0.454 40 S N 0.249 115.973 115.700 0.040 0.000 2.521 40 S HA 0.223 4.687 4.470 -0.009 0.000 0.295 40 S C 0.849 175.475 174.600 0.044 0.000 1.098 40 S CA -0.880 57.345 58.200 0.042 0.000 0.999 40 S CB 0.975 64.193 63.200 0.029 0.000 1.034 40 S HN 0.310 nan 8.310 nan 0.000 0.483 41 N N 2.815 121.548 118.700 0.055 0.000 2.571 41 N HA -0.020 4.715 4.740 -0.009 0.000 0.189 41 N C 0.788 176.320 175.510 0.036 0.000 1.154 41 N CA 0.476 53.558 53.050 0.053 0.000 0.907 41 N CB -0.178 38.351 38.487 0.071 0.000 0.977 41 N HN 0.597 nan 8.380 nan 0.000 0.449 42 K N 0.375 120.793 120.400 0.030 0.000 2.387 42 K HA 0.064 4.379 4.320 -0.009 0.000 0.203 42 K C 0.196 176.807 176.600 0.019 0.000 1.030 42 K CA -0.267 56.033 56.287 0.022 0.000 1.099 42 K CB -0.075 32.436 32.500 0.018 0.000 0.863 42 K HN 0.184 nan 8.250 nan 0.000 0.529 43 D N 1.966 122.379 120.400 0.021 0.000 2.434 43 D HA 0.007 4.642 4.640 -0.009 0.000 0.252 43 D C -1.259 175.051 176.300 0.016 0.000 1.185 43 D CA -1.626 52.385 54.000 0.019 0.000 0.886 43 D CB 1.715 42.526 40.800 0.019 0.000 1.148 43 D HN 0.123 nan 8.370 nan 0.000 0.483 44 P HA -0.165 nan 4.420 nan 0.000 0.217 44 P C 1.027 178.335 177.300 0.014 0.000 1.148 44 P CA 0.897 64.005 63.100 0.014 0.000 0.828 44 P CB 0.255 31.963 31.700 0.014 0.000 0.783 45 R N -0.795 119.715 120.500 0.016 0.000 2.241 45 R HA 0.057 4.392 4.340 -0.009 0.000 0.224 45 R C 1.237 177.543 176.300 0.010 0.000 1.101 45 R CA 0.225 56.334 56.100 0.015 0.000 0.995 45 R CB -0.563 29.748 30.300 0.017 0.000 0.870 45 R HN 0.298 nan 8.270 nan 0.000 0.463 46 L N 2.184 123.413 121.223 0.011 0.000 2.439 46 L HA 0.042 4.377 4.340 -0.009 0.000 0.269 46 L C 0.205 177.079 176.870 0.008 0.000 1.179 46 L CA -0.497 54.348 54.840 0.009 0.000 0.828 46 L CB 0.326 42.393 42.059 0.013 0.000 1.106 46 L HN 0.080 nan 8.230 nan 0.000 0.467 47 N N 2.333 121.037 118.700 0.006 0.000 2.412 47 N HA -0.067 4.668 4.740 -0.009 0.000 0.258 47 N C 0.099 175.613 175.510 0.007 0.000 1.236 47 N CA 0.063 53.115 53.050 0.005 0.000 0.882 47 N CB 0.371 38.860 38.487 0.002 0.000 1.066 47 N HN 0.429 nan 8.380 nan 0.000 0.465 48 E N 1.225 121.429 120.200 0.006 0.000 2.481 48 E HA 0.026 4.371 4.350 -0.009 0.000 0.240 48 E C 0.443 177.048 176.600 0.007 0.000 1.193 48 E CA 0.405 56.809 56.400 0.007 0.000 0.955 48 E CB -0.695 29.009 29.700 0.006 0.000 1.006 48 E HN 0.793 nan 8.360 nan 0.000 0.483 49 G N 2.477 111.282 108.800 0.009 0.000 2.468 49 G HA2 -0.148 3.807 3.960 -0.009 0.000 0.143 49 G HA3 -0.148 3.807 3.960 -0.009 0.000 0.143 49 G C -0.504 174.403 174.900 0.011 0.000 1.065 49 G CA -0.181 44.925 45.100 0.009 0.000 0.776 49 G HN 0.353 nan 8.290 nan 0.000 0.486 50 V N 0.447 120.369 119.914 0.013 0.000 2.524 50 V HA 0.474 4.589 4.120 -0.009 0.000 0.297 50 V C 0.470 176.578 176.094 0.023 0.000 1.035 50 V CA -0.916 61.394 62.300 0.016 0.000 0.867 50 V CB 2.034 33.865 31.823 0.013 0.000 1.004 50 V HN 0.409 nan 8.190 nan 0.000 0.426 51 V N 6.168 126.098 119.914 0.026 0.000 2.387 51 V HA 0.081 4.195 4.120 -0.009 0.000 0.260 51 V C 1.304 177.426 176.094 0.047 0.000 1.054 51 V CA 0.030 62.352 62.300 0.037 0.000 0.967 51 V CB 0.928 32.772 31.823 0.034 0.000 1.036 51 V HN 0.831 nan 8.190 nan 0.000 0.481 52 L N 4.619 125.875 121.223 0.056 0.000 2.127 52 L HA -0.139 4.196 4.340 -0.009 0.000 0.211 52 L C 1.734 178.651 176.870 0.079 0.000 1.089 52 L CA 2.063 56.939 54.840 0.060 0.000 0.757 52 L CB -0.442 41.658 42.059 0.070 0.000 0.899 52 L HN 0.683 nan 8.230 nan 0.000 0.434 53 D N -1.114 119.354 120.400 0.113 0.000 2.219 53 D HA -0.174 4.461 4.640 -0.009 0.000 0.205 53 D C 2.042 178.426 176.300 0.139 0.000 0.970 53 D CA 1.031 55.115 54.000 0.139 0.000 0.851 53 D CB 0.035 40.936 40.800 0.169 0.000 0.943 53 D HN 0.438 nan 8.370 nan 0.000 0.488 54 E N 0.440 120.692 120.200 0.087 0.000 2.046 54 E HA -0.103 4.242 4.350 -0.009 0.000 0.190 54 E C 1.853 178.512 176.600 0.098 0.000 0.982 54 E CA 0.773 57.218 56.400 0.074 0.000 0.800 54 E CB -0.108 29.617 29.700 0.041 0.000 0.756 54 E HN 0.097 nan 8.360 nan 0.000 0.449 55 V N 1.014 120.970 119.914 0.069 0.000 2.307 55 V HA -0.215 3.900 4.120 -0.009 0.000 0.245 55 V C 2.471 178.579 176.094 0.024 0.000 1.045 55 V CA 1.738 64.063 62.300 0.042 0.000 1.024 55 V CB -0.572 31.260 31.823 0.016 0.000 0.651 55 V HN 0.298 nan 8.190 nan 0.000 0.449 56 I N -0.418 120.147 120.570 -0.009 0.000 2.236 56 I HA -0.280 3.885 4.170 -0.009 0.000 0.249 56 I C 1.603 177.521 176.117 -0.332 0.000 1.102 56 I CA 1.968 63.141 61.300 -0.212 0.000 1.365 56 I CB -0.304 37.471 38.000 -0.375 0.000 1.051 56 I HN 0.292 nan 8.210 nan 0.000 0.420 57 F N -0.142 119.764 119.950 -0.075 0.000 2.750 57 F HA 0.125 4.650 4.527 -0.004 0.000 0.297 57 F C 1.970 177.816 175.800 0.076 0.000 1.138 57 F CA -0.153 57.842 58.000 -0.008 0.000 1.346 57 F CB -0.392 38.524 39.000 -0.139 0.000 0.965 57 F HN -0.025 nan 8.300 nan 0.000 0.514 58 S N -0.505 115.301 115.700 0.177 0.000 2.548 58 S HA -0.056 4.409 4.470 -0.009 0.000 0.215 58 S C 1.793 176.456 174.600 0.105 0.000 0.976 58 S CA -0.089 58.187 58.200 0.126 0.000 0.908 58 S CB -0.376 62.866 63.200 0.070 0.000 0.781 58 S HN 0.564 nan 8.310 nan 0.000 0.519 59 K N 0.560 121.017 120.400 0.094 0.000 2.288 59 K HA -0.037 4.278 4.320 -0.009 0.000 0.201 59 K C -0.321 176.238 176.600 -0.068 0.000 1.048 59 K CA 0.751 57.020 56.287 -0.029 0.000 0.956 59 K CB -0.604 31.812 32.500 -0.140 0.000 0.746 59 K HN 0.439 nan 8.250 nan 0.000 0.461 60 H N 1.837 120.915 119.070 0.012 0.000 3.109 60 H HA 0.179 4.731 4.556 -0.007 0.000 0.266 60 H C 0.043 175.382 175.328 0.018 0.000 1.334 60 H CA -0.301 55.760 56.048 0.022 0.000 1.456 60 H CB 0.879 30.676 29.762 0.057 0.000 1.587 60 H HN 0.039 nan 8.280 nan 0.000 0.500 61 K N 2.175 122.617 120.400 0.070 0.000 2.417 61 K HA 0.255 4.570 4.320 -0.009 0.000 0.196 61 K C 0.614 177.236 176.600 0.038 0.000 1.023 61 K CA 0.341 56.656 56.287 0.047 0.000 1.122 61 K CB 0.351 32.862 32.500 0.017 0.000 0.850 61 K HN 0.891 nan 8.250 nan 0.000 0.521 62 G N 1.246 110.078 108.800 0.053 0.000 2.484 62 G HA2 -0.156 3.799 3.960 -0.009 0.000 0.685 62 G HA3 -0.156 3.799 3.960 -0.009 0.000 0.685 62 G C -1.746 173.163 174.900 0.015 0.000 1.294 62 G CA -0.902 44.219 45.100 0.035 0.000 0.879 62 G HN 0.088 nan 8.290 nan 0.000 0.646 63 D N 1.130 121.537 120.400 0.011 0.000 2.456 63 D HA 0.443 5.078 4.640 -0.009 0.000 0.219 63 D C 0.825 177.111 176.300 -0.025 0.000 1.126 63 D CA -0.019 53.977 54.000 -0.006 0.000 0.890 63 D CB 0.356 41.160 40.800 0.006 0.000 1.025 63 D HN 0.373 nan 8.370 nan 0.000 0.511 64 T N 4.512 119.040 114.554 -0.044 0.000 2.871 64 T HA 0.005 4.350 4.350 -0.009 0.000 0.296 64 T C 0.546 175.208 174.700 -0.064 0.000 0.998 64 T CA -0.012 62.055 62.100 -0.054 0.000 1.162 64 T CB 0.649 69.472 68.868 -0.075 0.000 0.947 64 T HN 0.145 nan 8.240 nan 0.000 0.536 65 K N 3.365 123.736 120.400 -0.049 0.000 2.098 65 K HA 0.525 4.840 4.320 -0.009 0.000 0.261 65 K C 0.055 176.622 176.600 -0.055 0.000 0.987 65 K CA -0.407 55.852 56.287 -0.047 0.000 0.916 65 K CB 1.231 33.714 32.500 -0.028 0.000 1.039 65 K HN 0.577 nan 8.250 nan 0.000 0.455 66 M N 0.735 120.302 119.600 -0.056 0.000 2.456 66 M HA 0.197 4.672 4.480 -0.009 0.000 0.324 66 M C 0.013 176.305 176.300 -0.013 0.000 1.124 66 M CA -0.796 54.477 55.300 -0.045 0.000 0.959 66 M CB 2.129 34.678 32.600 -0.086 0.000 1.692 66 M HN 0.624 nan 8.290 nan 0.000 0.444 67 S N 1.416 117.118 115.700 0.004 0.000 2.564 67 S HA 0.374 4.839 4.470 -0.009 0.000 0.278 67 S C 1.150 175.767 174.600 0.027 0.000 1.333 67 S CA -0.220 57.987 58.200 0.012 0.000 1.048 67 S CB 1.282 64.489 63.200 0.011 0.000 0.900 67 S HN 0.821 nan 8.310 nan 0.000 0.505 68 A N 2.600 125.435 122.820 0.025 0.000 1.971 68 A HA -0.129 4.186 4.320 -0.009 0.000 0.222 68 A C 2.355 179.967 177.584 0.048 0.000 1.182 68 A CA 2.523 54.581 52.037 0.035 0.000 0.649 68 A CB -2.009 17.007 19.000 0.027 0.000 0.818 68 A HN 1.244 nan 8.150 nan 0.000 0.458 69 E N 0.041 120.265 120.200 0.039 0.000 2.031 69 E HA -0.272 4.073 4.350 -0.009 0.000 0.193 69 E C 1.723 178.366 176.600 0.071 0.000 0.994 69 E CA 1.596 58.020 56.400 0.041 0.000 0.800 69 E CB -0.947 28.765 29.700 0.021 0.000 0.752 69 E HN 0.730 nan 8.360 nan 0.000 0.447 70 D N 0.106 120.562 120.400 0.092 0.000 2.178 70 D HA -0.095 4.540 4.640 -0.009 0.000 0.202 70 D C 1.983 178.444 176.300 0.269 0.000 0.974 70 D CA 1.270 55.383 54.000 0.190 0.000 0.841 70 D CB -0.109 40.819 40.800 0.214 0.000 0.953 70 D HN 0.456 nan 8.370 nan 0.000 0.478 71 K N 0.863 121.359 120.400 0.160 0.000 2.097 71 K HA -0.040 4.275 4.320 -0.009 0.000 0.205 71 K C 2.171 178.890 176.600 0.198 0.000 1.050 71 K CA 0.978 57.362 56.287 0.161 0.000 0.938 71 K CB 0.016 32.568 32.500 0.085 0.000 0.718 71 K HN -0.005 nan 8.250 nan 0.000 0.442 72 A N 1.473 124.379 122.820 0.144 0.000 1.930 72 A HA -0.127 4.188 4.320 -0.009 0.000 0.217 72 A C 2.103 179.770 177.584 0.139 0.000 1.175 72 A CA 1.014 53.121 52.037 0.117 0.000 0.627 72 A CB -0.434 18.611 19.000 0.075 0.000 0.815 72 A HN 0.240 nan 8.150 nan 0.000 0.443 73 L N -1.678 119.644 121.223 0.166 0.000 2.046 73 L HA -0.048 4.287 4.340 -0.009 0.000 0.208 73 L C 2.138 179.183 176.870 0.291 0.000 1.077 73 L CA 2.146 57.080 54.840 0.156 0.000 0.747 73 L CB -0.793 41.305 42.059 0.066 0.000 0.896 73 L HN 0.377 nan 8.230 nan 0.000 0.432 74 F N 0.516 120.645 119.950 0.297 0.000 2.113 74 F HA -0.150 4.372 4.527 -0.007 0.000 0.297 74 F C 2.796 178.665 175.800 0.116 0.000 1.103 74 F CA 1.905 60.070 58.000 0.276 0.000 1.248 74 F CB -0.344 38.715 39.000 0.098 0.000 0.999 74 F HN 0.094 nan 8.300 nan 0.000 0.475 75 R N 0.237 120.868 120.500 0.217 0.000 2.105 75 R HA -0.177 4.157 4.340 -0.009 0.000 0.239 75 R C 2.387 178.692 176.300 0.009 0.000 1.135 75 R CA 1.654 57.805 56.100 0.085 0.000 0.967 75 R CB -0.186 30.183 30.300 0.115 0.000 0.861 75 R HN 0.271 nan 8.270 nan 0.000 0.442 76 R N -0.623 119.897 120.500 0.035 0.000 2.062 76 R HA -0.063 4.272 4.340 -0.009 0.000 0.229 76 R C 2.459 178.747 176.300 -0.020 0.000 1.128 76 R CA 1.523 57.632 56.100 0.015 0.000 0.960 76 R CB -0.358 29.961 30.300 0.032 0.000 0.855 76 R HN 0.309 nan 8.270 nan 0.000 0.432 77 C N 0.277 119.555 119.300 -0.037 0.000 2.419 77 C HA -0.047 4.408 4.460 -0.009 0.000 0.281 77 C C 2.813 177.712 174.990 -0.152 0.000 1.336 77 C CA 0.699 59.675 59.018 -0.069 0.000 1.770 77 C CB -0.962 26.753 27.740 -0.043 0.000 1.929 77 C HN 0.568 nan 8.230 nan 0.000 0.509 78 A N 0.533 123.189 122.820 -0.274 0.000 1.874 78 A HA 0.231 4.545 4.320 -0.009 0.000 0.214 78 A C 2.379 179.894 177.584 -0.115 0.000 1.189 78 A CA 1.627 53.499 52.037 -0.275 0.000 0.615 78 A CB -0.938 17.832 19.000 -0.383 0.000 0.830 78 A HN 0.511 nan 8.150 nan 0.000 0.443 79 A N 0.122 122.900 122.820 -0.070 0.000 1.933 79 A HA -0.146 4.169 4.320 -0.009 0.000 0.218 79 A C 1.695 179.267 177.584 -0.020 0.000 1.175 79 A CA 2.026 54.053 52.037 -0.017 0.000 0.628 79 A CB -0.640 18.373 19.000 0.022 0.000 0.814 79 A HN 0.475 nan 8.150 nan 0.000 0.444 80 D N -1.750 118.643 120.400 -0.012 0.000 2.084 80 D HA -0.148 4.487 4.640 -0.009 0.000 0.196 80 D C 1.737 178.032 176.300 -0.008 0.000 0.985 80 D CA 1.656 55.657 54.000 0.003 0.000 0.826 80 D CB -0.409 40.404 40.800 0.021 0.000 0.978 80 D HN 0.543 nan 8.370 nan 0.000 0.456 81 Y N 1.415 121.640 120.300 -0.125 0.000 2.181 81 Y HA -0.162 4.383 4.550 -0.009 0.000 0.288 81 Y C 2.118 177.891 175.900 -0.213 0.000 1.146 81 Y CA 1.484 59.496 58.100 -0.147 0.000 1.164 81 Y CB -0.587 37.777 38.460 -0.160 0.000 0.982 81 Y HN -0.041 nan 8.280 nan 0.000 0.515 82 A N -1.145 121.451 122.820 -0.373 0.000 2.076 82 A HA -0.186 4.129 4.320 -0.009 0.000 0.220 82 A C 2.478 179.697 177.584 -0.609 0.000 1.160 82 A CA 1.754 53.393 52.037 -0.662 0.000 0.653 82 A CB -1.170 17.513 19.000 -0.528 0.000 0.801 82 A HN 0.528 nan 8.150 nan 0.000 0.455 83 S N -0.488 115.034 115.700 -0.297 0.000 2.335 83 S HA -0.173 4.291 4.470 -0.009 0.000 0.217 83 S C 2.233 176.727 174.600 -0.178 0.000 1.032 83 S CA 1.568 59.685 58.200 -0.137 0.000 0.985 83 S CB -0.301 62.879 63.200 -0.033 0.000 0.896 83 S HN 0.614 nan 8.310 nan 0.000 0.445 84 R N 0.744 121.115 120.500 -0.215 0.000 2.083 84 R HA -0.038 4.297 4.340 -0.009 0.000 0.237 84 R C 2.126 178.273 176.300 -0.254 0.000 1.137 84 R CA 1.740 57.725 56.100 -0.192 0.000 0.951 84 R CB -1.165 29.033 30.300 -0.170 0.000 0.851 84 R HN 0.458 nan 8.270 nan 0.000 0.434 85 L N 0.258 121.196 121.223 -0.475 0.000 1.932 85 L HA -0.196 4.139 4.340 -0.009 0.000 0.217 85 L C 1.865 178.634 176.870 -0.168 0.000 1.077 85 L CA 2.345 56.928 54.840 -0.428 0.000 0.765 85 L CB -1.021 40.604 42.059 -0.723 0.000 0.888 85 L HN 0.435 nan 8.230 nan 0.000 0.433 86 H N -1.730 117.159 119.070 -0.302 0.000 2.541 86 H HA -0.130 4.420 4.556 -0.009 0.000 0.289 86 H C 2.331 177.599 175.328 -0.100 0.000 1.054 86 H CA 0.634 56.546 56.048 -0.227 0.000 1.250 86 H CB 0.137 29.568 29.762 -0.551 0.000 1.369 86 H HN 0.465 nan 8.280 nan 0.000 0.578 87 S N -0.174 115.533 115.700 0.011 0.000 2.362 87 S HA -0.101 4.364 4.470 -0.009 0.000 0.221 87 S C 2.250 176.855 174.600 0.008 0.000 1.032 87 S CA 0.893 59.105 58.200 0.019 0.000 0.973 87 S CB -0.226 62.968 63.200 -0.009 0.000 0.849 87 S HN 0.174 nan 8.310 nan 0.000 0.465 88 V N 2.560 122.464 119.914 -0.016 0.000 2.244 88 V HA -0.105 4.010 4.120 -0.009 0.000 0.244 88 V C 2.455 178.545 176.094 -0.006 0.000 1.042 88 V CA 1.854 64.145 62.300 -0.015 0.000 1.006 88 V CB -0.888 30.916 31.823 -0.031 0.000 0.641 88 V HN 0.441 nan 8.190 nan 0.000 0.446 89 L N -0.259 120.963 121.223 -0.003 0.000 1.970 89 L HA 0.173 4.508 4.340 -0.009 0.000 0.212 89 L C 1.308 178.180 176.870 0.004 0.000 1.071 89 L CA 1.680 56.517 54.840 -0.005 0.000 0.751 89 L CB -0.973 41.095 42.059 0.014 0.000 0.889 89 L HN 0.622 nan 8.230 nan 0.000 0.432 90 G N -1.422 107.392 108.800 0.024 0.000 2.343 90 G HA2 -0.082 3.873 3.960 -0.009 0.000 0.562 90 G HA3 -0.082 3.873 3.960 -0.009 0.000 0.562 90 G C -0.040 174.850 174.900 -0.016 0.000 1.269 90 G CA -0.185 44.922 45.100 0.011 0.000 1.011 90 G HN 0.128 nan 8.290 nan 0.000 0.498 91 T N -2.785 111.756 114.554 -0.021 0.000 3.331 91 T HA 0.647 4.992 4.350 -0.009 0.000 0.282 91 T C 0.706 175.347 174.700 -0.098 0.000 1.010 91 T CA 1.168 63.236 62.100 -0.054 0.000 0.928 91 T CB 0.835 69.729 68.868 0.043 0.000 1.154 91 T HN 2.029 nan 8.240 nan 0.000 0.516 92 A N 1.925 124.683 122.820 -0.104 0.000 3.260 92 A HA 0.407 4.721 4.320 -0.009 0.000 0.268 92 A C 0.491 177.977 177.584 -0.163 0.000 1.491 92 A CA -0.777 51.198 52.037 -0.103 0.000 1.181 92 A CB -0.457 18.506 19.000 -0.061 0.000 1.137 92 A HN 0.481 nan 8.150 nan 0.000 0.642 93 N N 1.683 120.205 118.700 -0.297 0.000 3.271 93 N HA 0.304 5.039 4.740 -0.009 0.000 0.303 93 N C -0.044 175.275 175.510 -0.317 0.000 1.415 93 N CA 0.154 52.935 53.050 -0.449 0.000 1.159 93 N CB 1.190 38.966 38.487 -1.184 0.000 1.432 93 N HN 0.556 nan 8.380 nan 0.000 0.521 94 A N 1.335 124.064 122.820 -0.152 0.000 2.316 94 A HA 0.505 4.820 4.320 -0.009 0.000 0.284 94 A C -2.170 175.392 177.584 -0.036 0.000 1.115 94 A CA -1.286 50.711 52.037 -0.068 0.000 0.812 94 A CB 0.148 19.127 19.000 -0.036 0.000 1.064 94 A HN 0.098 nan 8.150 nan 0.000 0.489 95 P HA 0.023 nan 4.420 nan 0.000 0.261 95 P C -0.607 176.693 177.300 0.000 0.000 1.165 95 P CA 0.210 63.313 63.100 0.004 0.000 0.759 95 P CB 0.187 31.912 31.700 0.043 0.000 0.772 96 L N 4.303 125.520 121.223 -0.011 0.000 2.315 96 L HA 0.164 4.499 4.340 -0.009 0.000 0.283 96 L C 0.422 177.306 176.870 0.024 0.000 1.089 96 L CA 0.227 55.072 54.840 0.008 0.000 0.833 96 L CB -0.100 41.962 42.059 0.006 0.000 1.170 96 L HN 0.398 nan 8.230 nan 0.000 0.442 97 S N 4.353 120.082 115.700 0.049 0.000 2.561 97 S HA -0.023 4.442 4.470 -0.009 0.000 0.294 97 S C 1.651 176.300 174.600 0.082 0.000 1.294 97 S CA -0.227 58.016 58.200 0.072 0.000 1.055 97 S CB 0.114 63.373 63.200 0.099 0.000 0.819 97 S HN 0.609 nan 8.310 nan 0.000 0.503 98 I N 1.230 121.848 120.570 0.080 0.000 2.300 98 I HA -0.249 3.916 4.170 -0.009 0.000 0.252 98 I C 2.149 178.318 176.117 0.086 0.000 1.119 98 I CA 2.089 63.431 61.300 0.070 0.000 1.384 98 I CB -0.587 37.450 38.000 0.061 0.000 1.062 98 I HN 0.821 nan 8.210 nan 0.000 0.426 99 Y N 1.845 122.145 120.300 -0.001 0.000 2.133 99 Y HA -0.220 4.325 4.550 -0.009 0.000 0.287 99 Y C 2.471 178.379 175.900 0.012 0.000 1.134 99 Y CA 1.706 59.806 58.100 0.000 0.000 1.133 99 Y CB -0.292 38.168 38.460 0.001 0.000 0.987 99 Y HN 0.141 nan 8.280 nan 0.000 0.502 100 E N -0.061 120.168 120.200 0.049 0.000 2.110 100 E HA -0.197 4.148 4.350 -0.009 0.000 0.193 100 E C 2.188 178.756 176.600 -0.054 0.000 0.988 100 E CA 0.981 57.364 56.400 -0.028 0.000 0.804 100 E CB -0.332 29.402 29.700 0.056 0.000 0.745 100 E HN 0.543 nan 8.360 nan 0.000 0.458 101 A N 0.497 123.305 122.820 -0.019 0.000 2.172 101 A HA -0.083 4.232 4.320 -0.009 0.000 0.216 101 A C 1.946 179.522 177.584 -0.014 0.000 1.154 101 A CA 0.829 52.862 52.037 -0.006 0.000 0.701 101 A CB -0.258 18.748 19.000 0.010 0.000 0.789 101 A HN 0.147 nan 8.150 nan 0.000 0.465 102 I N -1.571 118.958 120.570 -0.069 0.000 2.899 102 I HA -0.018 4.147 4.170 -0.009 0.000 0.257 102 I C 1.830 177.903 176.117 -0.073 0.000 1.115 102 I CA 0.380 61.648 61.300 -0.053 0.000 1.451 102 I CB -0.133 37.799 38.000 -0.113 0.000 1.251 102 I HN 0.008 nan 8.210 nan 0.000 0.456 103 K N 1.623 121.876 120.400 -0.245 0.000 2.217 103 K HA 0.189 4.504 4.320 -0.009 0.000 0.202 103 K C 0.892 177.419 176.600 -0.121 0.000 1.051 103 K CA 0.831 56.975 56.287 -0.237 0.000 0.952 103 K CB -0.528 31.668 32.500 -0.507 0.000 0.736 103 K HN 0.432 nan 8.250 nan 0.000 0.453 104 G N 0.860 109.602 108.800 -0.098 0.000 2.712 104 G HA2 -0.159 3.796 3.960 -0.009 0.000 0.686 104 G HA3 -0.159 3.796 3.960 -0.009 0.000 0.686 104 G C -0.162 174.725 174.900 -0.021 0.000 1.321 104 G CA -0.334 44.747 45.100 -0.031 0.000 0.813 104 G HN 0.263 nan 8.290 nan 0.000 0.599 105 V N -2.594 117.326 119.914 0.009 0.000 3.285 105 V HA 0.876 4.991 4.120 -0.009 0.000 0.302 105 V C 0.493 176.603 176.094 0.027 0.000 1.247 105 V CA -0.298 62.014 62.300 0.019 0.000 1.035 105 V CB 1.477 33.314 31.823 0.022 0.000 1.223 105 V HN 0.804 nan 8.190 nan 0.000 0.475 106 D N 0.658 121.074 120.400 0.026 0.000 2.402 106 D HA 0.453 5.087 4.640 -0.009 0.000 0.268 106 D C 0.975 177.301 176.300 0.042 0.000 1.294 106 D CA 2.195 56.212 54.000 0.028 0.000 0.945 106 D CB 0.250 41.063 40.800 0.021 0.000 1.112 106 D HN 1.280 nan 8.370 nan 0.000 0.517 107 G N 2.829 111.662 108.800 0.054 0.000 2.850 107 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.207 107 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.207 107 G C 0.145 175.129 174.900 0.140 0.000 1.302 107 G CA -0.095 45.064 45.100 0.099 0.000 0.832 107 G HN 0.538 nan 8.290 nan 0.000 0.543 108 L N 3.736 125.045 121.223 0.144 0.000 2.325 108 L HA 0.511 4.846 4.340 -0.009 0.000 0.284 108 L C 0.450 177.360 176.870 0.066 0.000 1.089 108 L CA -0.720 54.209 54.840 0.147 0.000 0.836 108 L CB 0.176 42.304 42.059 0.115 0.000 1.184 108 L HN 0.373 nan 8.230 nan 0.000 0.444 109 D N 3.245 123.670 120.400 0.043 0.000 2.228 109 D HA 0.267 4.902 4.640 -0.009 0.000 0.259 109 D C -0.251 176.060 176.300 0.019 0.000 1.249 109 D CA 0.279 54.289 54.000 0.016 0.000 0.997 109 D CB 0.517 41.316 40.800 -0.003 0.000 1.151 109 D HN 0.696 nan 8.370 nan 0.000 0.536 110 A N -0.297 122.529 122.820 0.010 0.000 2.320 110 A HA 0.484 4.799 4.320 -0.009 0.000 0.334 110 A C 0.129 177.737 177.584 0.040 0.000 1.147 110 A CA -0.574 51.477 52.037 0.023 0.000 0.820 110 A CB 0.594 19.604 19.000 0.017 0.000 1.218 110 A HN 0.447 nan 8.150 nan 0.000 0.482 111 M N 2.282 121.940 119.600 0.097 0.000 2.260 111 M HA 0.045 4.520 4.480 -0.009 0.000 0.348 111 M C 0.205 176.498 176.300 -0.012 0.000 1.342 111 M CA 0.217 55.589 55.300 0.120 0.000 1.040 111 M CB 0.051 32.828 32.600 0.295 0.000 1.810 111 M HN 0.598 nan 8.290 nan 0.000 0.453 112 E N 5.030 125.178 120.200 -0.086 0.000 2.534 112 E HA -0.078 4.267 4.350 -0.009 0.000 0.264 112 E C -1.596 174.675 176.600 -0.547 0.000 0.981 112 E CA -0.710 55.562 56.400 -0.213 0.000 0.948 112 E CB 0.145 29.761 29.700 -0.140 0.000 0.934 112 E HN 0.457 nan 8.360 nan 0.000 0.459 113 P HA -0.126 nan 4.420 nan 0.000 0.208 113 P C 0.146 177.064 177.300 -0.636 0.000 1.203 113 P CA 1.040 63.616 63.100 -0.873 0.000 0.920 113 P CB 0.274 31.733 31.700 -0.402 0.000 0.769 114 D N 0.545 120.768 120.400 -0.295 0.000 2.505 114 D HA 0.250 4.885 4.640 -0.009 0.000 0.242 114 D C -0.616 175.624 176.300 -0.101 0.000 1.136 114 D CA -0.297 53.616 54.000 -0.146 0.000 0.954 114 D CB -0.355 40.399 40.800 -0.077 0.000 1.002 114 D HN 0.111 nan 8.370 nan 0.000 0.512 115 T N -1.002 113.498 114.554 -0.091 0.000 2.906 115 T HA 0.693 5.038 4.350 -0.009 0.000 0.295 115 T C 0.229 174.921 174.700 -0.014 0.000 1.075 115 T CA -1.089 60.974 62.100 -0.063 0.000 1.005 115 T CB 1.572 70.390 68.868 -0.084 0.000 1.136 115 T HN 0.225 nan 8.240 nan 0.000 0.498 116 A N 3.553 126.344 122.820 -0.049 0.000 2.558 116 A HA 0.287 4.602 4.320 -0.009 0.000 0.262 116 A C -0.706 176.912 177.584 0.057 0.000 1.049 116 A CA -0.679 51.350 52.037 -0.013 0.000 0.804 116 A CB -0.529 18.343 19.000 -0.212 0.000 0.957 116 A HN 0.757 nan 8.150 nan 0.000 0.520 117 P HA 0.103 nan 4.420 nan 0.000 0.242 117 P C 0.987 178.417 177.300 0.218 0.000 1.197 117 P CA 1.132 64.383 63.100 0.252 0.000 0.765 117 P CB -0.297 31.622 31.700 0.364 0.000 0.936 118 G N 0.556 109.445 108.800 0.149 0.000 2.598 118 G HA2 -0.232 3.723 3.960 -0.009 0.000 0.244 118 G HA3 -0.232 3.723 3.960 -0.009 0.000 0.244 118 G C -0.795 174.136 174.900 0.052 0.000 1.302 118 G CA -0.459 44.700 45.100 0.098 0.000 0.903 118 G HN 0.269 nan 8.290 nan 0.000 0.575 119 L N 1.606 122.797 121.223 -0.055 0.000 2.344 119 L HA 0.504 4.839 4.340 -0.009 0.000 0.272 119 L C -1.124 175.456 176.870 -0.483 0.000 1.035 119 L CA -1.679 53.077 54.840 -0.140 0.000 0.807 119 L CB 2.195 44.220 42.059 -0.057 0.000 1.237 119 L HN 0.526 nan 8.230 nan 0.000 0.442 120 P HA 0.004 nan 4.420 nan 0.000 0.262 120 P C 0.884 178.254 177.300 0.116 0.000 1.304 120 P CA 0.184 63.164 63.100 -0.201 0.000 0.859 120 P CB 0.116 31.724 31.700 -0.154 0.000 1.310 121 W N 0.837 122.194 121.300 0.095 0.000 2.387 121 W HA -0.060 4.595 4.660 -0.007 0.000 0.272 121 W C 2.076 178.646 176.519 0.086 0.000 1.224 121 W CA 0.219 57.615 57.345 0.085 0.000 1.210 121 W CB -0.641 28.872 29.460 0.089 0.000 1.125 121 W HN 0.037 nan 8.180 nan 0.000 0.572 122 A N -0.151 122.843 122.820 0.289 0.000 2.132 122 A HA 0.082 4.397 4.320 -0.009 0.000 0.213 122 A C 1.649 179.327 177.584 0.155 0.000 1.154 122 A CA 0.526 52.690 52.037 0.211 0.000 0.753 122 A CB -0.441 18.679 19.000 0.200 0.000 0.826 122 A HN 0.309 nan 8.150 nan 0.000 0.469 123 L N -0.978 120.332 121.223 0.145 0.000 2.628 123 L HA 0.152 4.487 4.340 -0.009 0.000 0.229 123 L C 1.200 178.141 176.870 0.119 0.000 1.137 123 L CA 0.232 55.135 54.840 0.105 0.000 0.909 123 L CB 0.101 42.205 42.059 0.074 0.000 1.137 123 L HN 0.417 nan 8.230 nan 0.000 0.470 124 Q N -0.104 119.792 119.800 0.160 0.000 2.118 124 Q HA 0.234 4.569 4.340 -0.009 0.000 0.219 124 Q C 0.579 176.649 176.000 0.116 0.000 0.794 124 Q CA 0.037 55.928 55.803 0.145 0.000 1.035 124 Q CB 1.607 30.466 28.738 0.201 0.000 1.177 124 Q HN 0.344 nan 8.270 nan 0.000 0.478 125 G N 2.546 111.415 108.800 0.115 0.000 2.387 125 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.270 125 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.270 125 G C -0.591 174.360 174.900 0.086 0.000 0.957 125 G CA 0.525 45.681 45.100 0.093 0.000 1.352 125 G HN 0.141 nan 8.290 nan 0.000 0.457 126 K N -0.241 120.225 120.400 0.109 0.000 2.551 126 K HA 0.870 5.185 4.320 -0.009 0.000 0.269 126 K C 0.374 177.036 176.600 0.104 0.000 0.949 126 K CA -0.499 55.836 56.287 0.080 0.000 0.849 126 K CB 1.546 34.072 32.500 0.043 0.000 1.411 126 K HN 0.715 nan 8.250 nan 0.000 0.432 127 R N 0.738 121.285 120.500 0.079 0.000 2.719 127 R HA 0.388 4.722 4.340 -0.009 0.000 0.233 127 R C 1.046 177.422 176.300 0.127 0.000 1.257 127 R CA 0.013 56.173 56.100 0.099 0.000 1.109 127 R CB -0.108 30.239 30.300 0.078 0.000 1.447 127 R HN 0.801 nan 8.270 nan 0.000 0.537 128 R N -0.732 119.870 120.500 0.171 0.000 2.073 128 R HA -0.044 4.291 4.340 -0.009 0.000 0.229 128 R C 2.371 178.919 176.300 0.413 0.000 1.120 128 R CA 1.856 58.141 56.100 0.307 0.000 0.967 128 R CB -0.494 29.986 30.300 0.300 0.000 0.862 128 R HN 0.822 nan 8.270 nan 0.000 0.436 129 G N -0.520 108.510 108.800 0.383 0.000 2.534 129 G HA2 -0.140 3.815 3.960 -0.009 0.000 0.217 129 G HA3 -0.140 3.815 3.960 -0.009 0.000 0.217 129 G C 1.200 176.152 174.900 0.088 0.000 1.128 129 G CA 0.502 45.789 45.100 0.311 0.000 0.784 129 G HN 0.397 nan 8.290 nan 0.000 0.542 130 A N -0.379 122.473 122.820 0.053 0.000 2.248 130 A HA 0.364 4.679 4.320 -0.009 0.000 0.210 130 A C 1.681 179.204 177.584 -0.102 0.000 1.174 130 A CA 0.817 52.842 52.037 -0.020 0.000 0.750 130 A CB -0.062 18.928 19.000 -0.017 0.000 0.780 130 A HN 0.329 nan 8.150 nan 0.000 0.478 131 L N -2.203 118.947 121.223 -0.120 0.000 3.406 131 L HA 0.461 4.796 4.340 -0.009 0.000 0.309 131 L C -0.160 176.595 176.870 -0.191 0.000 1.159 131 L CA 0.535 55.249 54.840 -0.211 0.000 1.122 131 L CB 0.426 42.268 42.059 -0.361 0.000 1.633 131 L HN 0.192 nan 8.230 nan 0.000 0.607 132 I N -0.983 119.458 120.570 -0.214 0.000 2.722 132 I HA 0.303 4.468 4.170 -0.009 0.000 0.295 132 I C -1.027 174.858 176.117 -0.388 0.000 1.161 132 I CA -0.706 60.376 61.300 -0.364 0.000 1.032 132 I CB 2.463 40.088 38.000 -0.625 0.000 1.244 132 I HN -0.196 nan 8.210 nan 0.000 0.421 133 D N 5.034 125.260 120.400 -0.291 0.000 2.483 133 D HA 0.203 4.838 4.640 -0.009 0.000 0.220 133 D C 0.634 176.835 176.300 -0.165 0.000 1.173 133 D CA 0.041 53.950 54.000 -0.151 0.000 0.964 133 D CB 0.256 41.019 40.800 -0.061 0.000 1.046 133 D HN 0.278 nan 8.370 nan 0.000 0.517 134 F N 1.240 121.192 119.950 0.003 0.000 2.546 134 F HA -0.034 4.488 4.527 -0.009 0.000 0.298 134 F C 2.480 178.277 175.800 -0.004 0.000 1.120 134 F CA 0.866 58.862 58.000 -0.007 0.000 1.456 134 F CB -0.280 38.716 39.000 -0.006 0.000 1.088 134 F HN 0.379 nan 8.300 nan 0.000 0.572 135 E N -0.022 120.268 120.200 0.150 0.000 2.166 135 E HA -0.011 4.334 4.350 -0.009 0.000 0.192 135 E C 1.689 178.344 176.600 0.091 0.000 0.967 135 E CA 0.945 57.408 56.400 0.105 0.000 0.840 135 E CB -0.448 29.303 29.700 0.085 0.000 0.795 135 E HN 0.307 nan 8.360 nan 0.000 0.470 136 N N -0.506 118.243 118.700 0.082 0.000 2.297 136 N HA 0.258 4.992 4.740 -0.009 0.000 0.204 136 N C 1.373 177.010 175.510 0.212 0.000 1.036 136 N CA 1.591 54.713 53.050 0.120 0.000 0.991 136 N CB 0.402 38.935 38.487 0.075 0.000 1.198 136 N HN 0.558 nan 8.380 nan 0.000 0.515 137 G N 0.176 109.076 108.800 0.166 0.000 4.495 137 G HA2 0.026 3.981 3.960 -0.009 0.000 0.223 137 G HA3 0.026 3.981 3.960 -0.009 0.000 0.223 137 G C -0.294 174.719 174.900 0.189 0.000 0.843 137 G CA 0.303 45.544 45.100 0.233 0.000 1.235 137 G HN 0.634 nan 8.290 nan 0.000 0.745 138 T N -2.505 112.077 114.554 0.047 0.000 2.804 138 T HA 0.859 5.204 4.350 -0.009 0.000 0.290 138 T C 0.204 174.858 174.700 -0.076 0.000 1.099 138 T CA -0.243 61.860 62.100 0.005 0.000 1.011 138 T CB 2.211 71.088 68.868 0.015 0.000 1.291 138 T HN 1.331 nan 8.240 nan 0.000 0.523 139 V N -1.939 117.934 119.914 -0.068 0.000 3.302 139 V HA 1.042 5.157 4.120 -0.009 0.000 0.304 139 V C 0.585 176.629 176.094 -0.083 0.000 1.209 139 V CA -0.133 62.107 62.300 -0.101 0.000 1.032 139 V CB 0.938 32.714 31.823 -0.078 0.000 1.219 139 V HN 1.341 nan 8.190 nan 0.000 0.469 140 G N -1.091 107.652 108.800 -0.096 0.000 3.175 140 G HA2 0.599 4.554 3.960 -0.009 0.000 0.153 140 G HA3 0.599 4.554 3.960 -0.009 0.000 0.153 140 G C -1.851 173.004 174.900 -0.076 0.000 1.216 140 G CA -0.111 44.937 45.100 -0.088 0.000 0.943 140 G HN 0.643 nan 8.290 nan 0.000 0.611 141 P HA 0.012 nan 4.420 nan 0.000 0.210 141 P C 1.109 178.374 177.300 -0.058 0.000 1.192 141 P CA 1.272 64.335 63.100 -0.062 0.000 0.913 141 P CB 0.219 31.879 31.700 -0.066 0.000 0.774 142 E N 0.078 120.203 120.200 -0.125 0.000 2.065 142 E HA -0.159 4.186 4.350 -0.009 0.000 0.201 142 E C 2.153 178.784 176.600 0.052 0.000 1.016 142 E CA 1.363 57.702 56.400 -0.102 0.000 0.818 142 E CB -1.587 27.760 29.700 -0.589 0.000 0.749 142 E HN 0.026 nan 8.360 nan 0.000 0.453 143 V N 1.027 120.932 119.914 -0.015 0.000 2.233 143 V HA -0.276 3.839 4.120 -0.009 0.000 0.247 143 V C 2.377 178.477 176.094 0.011 0.000 1.050 143 V CA 2.168 64.491 62.300 0.038 0.000 1.010 143 V CB -0.654 31.161 31.823 -0.014 0.000 0.637 143 V HN 0.345 nan 8.190 nan 0.000 0.444 144 E N 0.352 120.545 120.200 -0.012 0.000 2.219 144 E HA -0.281 4.064 4.350 -0.009 0.000 0.198 144 E C 2.132 178.728 176.600 -0.006 0.000 0.998 144 E CA 1.602 57.994 56.400 -0.013 0.000 0.818 144 E CB -0.111 29.579 29.700 -0.015 0.000 0.741 144 E HN 0.568 nan 8.360 nan 0.000 0.477 145 A N 1.299 124.130 122.820 0.019 0.000 1.841 145 A HA -0.033 4.282 4.320 -0.009 0.000 0.214 145 A C 2.430 180.033 177.584 0.032 0.000 1.195 145 A CA 1.974 54.037 52.037 0.042 0.000 0.611 145 A CB -0.848 18.205 19.000 0.088 0.000 0.835 145 A HN 0.376 nan 8.150 nan 0.000 0.443 146 A N -0.952 121.892 122.820 0.040 0.000 2.015 146 A HA 0.066 4.381 4.320 -0.009 0.000 0.219 146 A C 2.044 179.483 177.584 -0.241 0.000 1.163 146 A CA 1.315 53.306 52.037 -0.077 0.000 0.646 146 A CB -0.438 18.489 19.000 -0.122 0.000 0.806 146 A HN 0.455 nan 8.150 nan 0.000 0.448 147 L N -0.034 121.090 121.223 -0.165 0.000 2.083 147 L HA -0.127 4.208 4.340 -0.009 0.000 0.209 147 L C 2.135 178.888 176.870 -0.195 0.000 1.083 147 L CA 2.407 57.126 54.840 -0.201 0.000 0.752 147 L CB -0.753 41.260 42.059 -0.077 0.000 0.899 147 L HN 0.519 nan 8.230 nan 0.000 0.433 148 K N -0.798 119.538 120.400 -0.107 0.000 2.305 148 K HA -0.052 4.263 4.320 -0.009 0.000 0.199 148 K C 2.113 178.665 176.600 -0.080 0.000 1.047 148 K CA 0.288 56.531 56.287 -0.074 0.000 0.976 148 K CB 0.218 32.700 32.500 -0.030 0.000 0.765 148 K HN 0.323 nan 8.250 nan 0.000 0.474 149 L N 0.242 121.420 121.223 -0.074 0.000 2.131 149 L HA -0.067 4.267 4.340 -0.009 0.000 0.206 149 L C 2.344 179.194 176.870 -0.034 0.000 1.087 149 L CA 0.895 55.735 54.840 0.001 0.000 0.767 149 L CB -0.186 41.951 42.059 0.130 0.000 0.917 149 L HN 0.224 nan 8.230 nan 0.000 0.441 150 M N -0.838 118.645 119.600 -0.196 0.000 2.288 150 M HA -0.117 4.358 4.480 -0.009 0.000 0.266 150 M C 1.874 177.940 176.300 -0.389 0.000 1.072 150 M CA 1.254 56.387 55.300 -0.279 0.000 1.132 150 M CB -0.249 31.910 32.600 -0.734 0.000 1.386 150 M HN 0.159 nan 8.290 nan 0.000 0.432 151 E N 0.839 120.863 120.200 -0.293 0.000 2.267 151 E HA -0.172 4.172 4.350 -0.009 0.000 0.197 151 E C 1.089 177.604 176.600 -0.142 0.000 0.998 151 E CA 0.968 57.289 56.400 -0.132 0.000 0.830 151 E CB 0.052 29.714 29.700 -0.064 0.000 0.751 151 E HN 0.464 nan 8.360 nan 0.000 0.491 152 K N -0.552 119.731 120.400 -0.195 0.000 2.413 152 K HA 0.245 4.560 4.320 -0.009 0.000 0.204 152 K C -0.051 176.358 176.600 -0.317 0.000 1.041 152 K CA -0.169 56.004 56.287 -0.190 0.000 1.082 152 K CB 0.758 33.198 32.500 -0.101 0.000 0.871 152 K HN -0.052 nan 8.250 nan 0.000 0.535 153 R N 0.086 120.245 120.500 -0.568 0.000 4.016 153 R HA -0.197 4.137 4.340 -0.009 0.000 0.385 153 R C 0.395 176.608 176.300 -0.144 0.000 1.158 153 R CA 1.143 56.677 56.100 -0.943 0.000 1.117 153 R CB -1.585 27.955 30.300 -1.268 0.000 1.635 153 R HN 0.213 nan 8.270 nan 0.000 0.560 154 E N 0.342 120.517 120.200 -0.041 0.000 2.268 154 E HA -0.099 4.246 4.350 -0.009 0.000 0.195 154 E C 0.555 177.260 176.600 0.175 0.000 0.995 154 E CA 0.607 57.044 56.400 0.061 0.000 0.836 154 E CB -0.193 29.528 29.700 0.034 0.000 0.763 154 E HN 0.361 nan 8.360 nan 0.000 0.491 155 Y N 2.238 122.616 120.300 0.130 0.000 2.788 155 Y HA -0.084 4.462 4.550 -0.007 0.000 0.341 155 Y C 0.395 176.393 175.900 0.164 0.000 1.258 155 Y CA 0.351 58.563 58.100 0.187 0.000 1.503 155 Y CB 0.387 39.015 38.460 0.280 0.000 1.325 155 Y HN -0.285 nan 8.280 nan 0.000 0.614 156 K N 5.517 125.492 120.400 -0.709 0.000 2.509 156 K HA 0.493 4.808 4.320 -0.009 0.000 0.266 156 K C -1.424 174.578 176.600 -0.997 0.000 0.987 156 K CA -0.505 55.325 56.287 -0.762 0.000 0.868 156 K CB 2.195 34.452 32.500 -0.405 0.000 1.421 156 K HN 0.603 nan 8.250 nan 0.000 0.444 157 F N -2.087 117.504 119.950 -0.599 0.000 3.306 157 F HA 0.830 5.352 4.527 -0.009 0.000 0.326 157 F C -1.715 173.911 175.800 -0.290 0.000 1.169 157 F CA -1.360 56.358 58.000 -0.470 0.000 0.883 157 F CB 0.749 39.470 39.000 -0.465 0.000 1.505 157 F HN 0.551 nan 8.300 nan 0.000 0.504 158 A N -0.552 122.432 122.820 0.273 0.000 2.609 158 A HA 0.745 5.060 4.320 -0.009 0.000 0.291 158 A C -1.956 175.708 177.584 0.133 0.000 1.096 158 A CA -0.699 51.425 52.037 0.145 0.000 0.684 158 A CB 1.165 20.181 19.000 0.027 0.000 1.282 158 A HN 1.120 nan 8.150 nan 0.000 0.412 159 C N 0.549 119.927 119.300 0.130 0.000 2.382 159 C HA 0.692 5.147 4.460 -0.009 0.000 0.327 159 C C 0.178 175.314 174.990 0.243 0.000 1.250 159 C CA -0.367 58.757 59.018 0.176 0.000 1.707 159 C CB 0.992 28.896 27.740 0.273 0.000 2.272 159 C HN 0.876 nan 8.230 nan 0.000 0.506 160 Q N 1.570 121.516 119.800 0.243 0.000 2.296 160 Q HA 0.315 4.650 4.340 -0.009 0.000 0.257 160 Q C -0.523 175.719 176.000 0.404 0.000 0.942 160 Q CA 0.178 56.162 55.803 0.303 0.000 0.939 160 Q CB 0.857 29.828 28.738 0.389 0.000 1.198 160 Q HN 0.794 nan 8.270 nan 0.000 0.429 161 T N 4.822 119.556 114.554 0.300 0.000 2.749 161 T HA 0.364 4.708 4.350 -0.009 0.000 0.295 161 T C -0.842 173.993 174.700 0.226 0.000 0.936 161 T CA 0.070 62.336 62.100 0.278 0.000 1.060 161 T CB 0.046 69.069 68.868 0.259 0.000 0.904 161 T HN 0.297 nan 8.240 nan 0.000 0.500 162 F N 1.699 121.697 119.950 0.080 0.000 2.579 162 F HA 0.535 5.057 4.527 -0.008 0.000 0.324 162 F C -0.007 175.819 175.800 0.044 0.000 1.058 162 F CA -1.541 56.504 58.000 0.075 0.000 0.944 162 F CB 1.343 40.373 39.000 0.051 0.000 1.245 162 F HN 0.266 nan 8.300 nan 0.000 0.477 163 L N 2.540 123.893 121.223 0.218 0.000 2.287 163 L HA 0.331 4.666 4.340 -0.009 0.000 0.280 163 L C 0.157 177.096 176.870 0.116 0.000 1.055 163 L CA -0.705 54.207 54.840 0.121 0.000 0.863 163 L CB 0.697 42.814 42.059 0.096 0.000 1.245 163 L HN 0.535 nan 8.230 nan 0.000 0.432 164 K N 2.571 123.020 120.400 0.083 0.000 2.320 164 K HA -0.128 4.187 4.320 -0.009 0.000 0.269 164 K C 0.036 176.659 176.600 0.038 0.000 1.182 164 K CA 0.042 56.363 56.287 0.056 0.000 1.190 164 K CB 0.096 32.611 32.500 0.026 0.000 0.850 164 K HN 0.429 nan 8.250 nan 0.000 0.467 165 D N 5.158 125.585 120.400 0.045 0.000 2.416 165 D HA -0.016 4.619 4.640 -0.009 0.000 0.240 165 D C -0.287 176.013 176.300 0.001 0.000 1.250 165 D CA 0.015 54.029 54.000 0.025 0.000 0.967 165 D CB 0.367 41.190 40.800 0.037 0.000 1.059 165 D HN 0.574 nan 8.370 nan 0.000 0.512 166 E N 2.811 123.000 120.200 -0.017 0.000 2.446 166 E HA 0.351 4.696 4.350 -0.009 0.000 0.267 166 E C -0.820 175.740 176.600 -0.068 0.000 0.955 166 E CA -0.928 55.451 56.400 -0.034 0.000 0.842 166 E CB 0.720 30.407 29.700 -0.022 0.000 1.504 166 E HN 0.100 nan 8.360 nan 0.000 0.438 167 I N 1.292 121.816 120.570 -0.077 0.000 2.353 167 I HA 0.431 4.596 4.170 -0.009 0.000 0.293 167 I C 0.401 176.515 176.117 -0.005 0.000 0.992 167 I CA -0.402 60.831 61.300 -0.111 0.000 1.268 167 I CB 0.787 38.706 38.000 -0.135 0.000 1.387 167 I HN 0.510 nan 8.210 nan 0.000 0.478 168 R N 6.110 126.628 120.500 0.031 0.000 2.799 168 R HA 0.454 4.789 4.340 -0.009 0.000 0.270 168 R C -2.713 173.649 176.300 0.104 0.000 1.010 168 R CA -1.730 54.428 56.100 0.097 0.000 0.916 168 R CB 2.294 32.607 30.300 0.021 0.000 1.228 168 R HN 0.308 nan 8.270 nan 0.000 0.469 169 P HA -0.019 nan 4.420 nan 0.000 0.266 169 P C 0.701 177.888 177.300 -0.188 0.000 1.215 169 P CA -0.024 62.892 63.100 -0.307 0.000 0.763 169 P CB 0.505 32.017 31.700 -0.313 0.000 0.806 170 M N 2.422 121.904 119.600 -0.197 0.000 2.153 170 M HA -0.237 4.238 4.480 -0.009 0.000 0.253 170 M C 1.940 178.190 176.300 -0.083 0.000 1.081 170 M CA 1.950 57.190 55.300 -0.099 0.000 1.076 170 M CB -1.515 31.039 32.600 -0.077 0.000 1.350 170 M HN 0.531 nan 8.290 nan 0.000 0.401 171 E N 0.484 120.618 120.200 -0.110 0.000 2.023 171 E HA -0.216 4.128 4.350 -0.009 0.000 0.196 171 E C 1.806 178.373 176.600 -0.056 0.000 1.003 171 E CA 1.526 57.880 56.400 -0.077 0.000 0.809 171 E CB 0.042 29.689 29.700 -0.087 0.000 0.755 171 E HN 0.511 nan 8.360 nan 0.000 0.449 172 K N 0.066 120.430 120.400 -0.059 0.000 2.362 172 K HA -0.056 4.259 4.320 -0.009 0.000 0.200 172 K C 2.047 178.629 176.600 -0.031 0.000 1.046 172 K CA 0.671 56.935 56.287 -0.039 0.000 0.952 172 K CB 0.248 32.727 32.500 -0.034 0.000 0.753 172 K HN 0.095 nan 8.250 nan 0.000 0.466 173 V N 1.291 121.184 119.914 -0.036 0.000 2.270 173 V HA -0.210 3.905 4.120 -0.009 0.000 0.245 173 V C 2.193 178.277 176.094 -0.016 0.000 1.043 173 V CA 1.580 63.864 62.300 -0.026 0.000 1.014 173 V CB -0.395 31.411 31.823 -0.028 0.000 0.645 173 V HN 0.275 nan 8.190 nan 0.000 0.447 174 R N 0.281 120.771 120.500 -0.017 0.000 2.115 174 R HA -0.024 4.311 4.340 -0.009 0.000 0.230 174 R C 2.139 178.434 176.300 -0.007 0.000 1.111 174 R CA 1.236 57.331 56.100 -0.009 0.000 0.976 174 R CB -0.484 29.810 30.300 -0.010 0.000 0.870 174 R HN 0.510 nan 8.270 nan 0.000 0.445 175 A N 0.565 123.378 122.820 -0.012 0.000 2.239 175 A HA 0.108 4.423 4.320 -0.009 0.000 0.209 175 A C 1.391 178.972 177.584 -0.005 0.000 1.171 175 A CA 0.756 52.787 52.037 -0.009 0.000 0.768 175 A CB -0.496 18.495 19.000 -0.014 0.000 0.790 175 A HN 0.454 nan 8.150 nan 0.000 0.478 176 G N -0.045 108.753 108.800 -0.004 0.000 2.296 176 G HA2 -0.322 3.633 3.960 -0.009 0.000 0.282 176 G HA3 -0.322 3.633 3.960 -0.009 0.000 0.282 176 G C 0.461 175.357 174.900 -0.007 0.000 1.014 176 G CA 0.845 45.946 45.100 0.000 0.000 0.812 176 G HN 0.633 nan 8.290 nan 0.000 0.508 177 K N 0.701 121.093 120.400 -0.014 0.000 2.911 177 K HA 0.159 4.474 4.320 -0.009 0.000 0.239 177 K C 0.816 177.399 176.600 -0.028 0.000 1.090 177 K CA -0.001 56.273 56.287 -0.022 0.000 1.225 177 K CB 0.159 32.648 32.500 -0.019 0.000 1.087 177 K HN 0.329 nan 8.250 nan 0.000 0.464 178 T N 2.082 116.620 114.554 -0.026 0.000 2.934 178 T HA 0.013 4.358 4.350 -0.009 0.000 0.306 178 T C 0.525 175.200 174.700 -0.043 0.000 1.042 178 T CA 0.192 62.277 62.100 -0.025 0.000 1.145 178 T CB 0.442 69.303 68.868 -0.012 0.000 0.982 178 T HN 0.236 nan 8.240 nan 0.000 0.544 179 R N 2.395 122.876 120.500 -0.032 0.000 2.490 179 R HA 0.490 4.824 4.340 -0.009 0.000 0.280 179 R C 0.489 176.765 176.300 -0.041 0.000 1.077 179 R CA -0.403 55.673 56.100 -0.041 0.000 1.065 179 R CB 0.490 30.779 30.300 -0.020 0.000 1.003 179 R HN 0.653 nan 8.270 nan 0.000 0.470 180 I N -1.788 118.739 120.570 -0.072 0.000 2.797 180 I HA 0.601 4.766 4.170 -0.009 0.000 0.307 180 I C -0.575 175.530 176.117 -0.019 0.000 1.033 180 I CA -1.291 59.974 61.300 -0.057 0.000 1.071 180 I CB 2.035 39.930 38.000 -0.174 0.000 1.255 180 I HN 0.113 nan 8.210 nan 0.000 0.445 181 V N 2.222 122.164 119.914 0.047 0.000 2.540 181 V HA 0.315 4.430 4.120 -0.009 0.000 0.302 181 V C -0.868 175.278 176.094 0.088 0.000 1.035 181 V CA -0.565 61.765 62.300 0.050 0.000 0.873 181 V CB 1.660 33.501 31.823 0.031 0.000 0.992 181 V HN 0.687 nan 8.190 nan 0.000 0.428 182 D N 3.823 124.262 120.400 0.064 0.000 2.468 182 D HA 0.199 4.834 4.640 -0.009 0.000 0.218 182 D C -0.184 176.177 176.300 0.102 0.000 1.155 182 D CA -0.047 54.022 54.000 0.115 0.000 0.924 182 D CB 1.717 42.602 40.800 0.141 0.000 1.029 182 D HN 0.234 nan 8.370 nan 0.000 0.515 183 V N 3.708 123.691 119.914 0.115 0.000 2.397 183 V HA 0.025 4.140 4.120 -0.009 0.000 0.262 183 V C 0.620 176.748 176.094 0.055 0.000 1.047 183 V CA -0.346 61.971 62.300 0.029 0.000 1.003 183 V CB 0.176 31.952 31.823 -0.078 0.000 1.037 183 V HN 0.260 nan 8.190 nan 0.000 0.480 184 L N 8.698 129.923 121.223 0.004 0.000 2.454 184 L HA 0.489 4.824 4.340 -0.009 0.000 0.256 184 L C -1.883 174.956 176.870 -0.051 0.000 1.136 184 L CA -1.765 53.029 54.840 -0.076 0.000 0.804 184 L CB 0.476 42.446 42.059 -0.149 0.000 1.181 184 L HN 0.394 nan 8.230 nan 0.000 0.469 185 P HA -0.032 nan 4.420 nan 0.000 0.271 185 P C 0.979 178.322 177.300 0.071 0.000 1.220 185 P CA 0.055 63.125 63.100 -0.051 0.000 0.768 185 P CB 1.063 32.698 31.700 -0.109 0.000 0.848 186 V N 4.260 124.269 119.914 0.158 0.000 2.313 186 V HA -0.304 3.811 4.120 -0.009 0.000 0.253 186 V C 2.427 178.635 176.094 0.191 0.000 1.070 186 V CA 2.688 65.112 62.300 0.207 0.000 1.057 186 V CB -0.909 31.095 31.823 0.301 0.000 0.653 186 V HN 0.694 nan 8.190 nan 0.000 0.450 187 E N -0.348 119.988 120.200 0.226 0.000 2.085 187 E HA -0.370 3.975 4.350 -0.009 0.000 0.194 187 E C 2.050 178.708 176.600 0.097 0.000 0.994 187 E CA 2.324 58.813 56.400 0.148 0.000 0.801 187 E CB -0.956 28.819 29.700 0.124 0.000 0.743 187 E HN 0.865 nan 8.360 nan 0.000 0.453 188 H N 1.533 120.605 119.070 0.003 0.000 2.293 188 H HA -0.011 4.541 4.556 -0.008 0.000 0.300 188 H C 2.251 177.601 175.328 0.037 0.000 1.082 188 H CA 2.218 58.267 56.048 0.000 0.000 1.308 188 H CB -0.326 29.321 29.762 -0.191 0.000 1.375 188 H HN 0.133 nan 8.280 nan 0.000 0.495 189 I N 0.323 120.911 120.570 0.030 0.000 2.264 189 I HA -0.251 3.914 4.170 -0.009 0.000 0.248 189 I C 2.530 178.648 176.117 0.003 0.000 1.111 189 I CA 0.860 62.157 61.300 -0.006 0.000 1.382 189 I CB -0.285 37.752 38.000 0.062 0.000 1.060 189 I HN 0.374 nan 8.210 nan 0.000 0.418 190 L N 0.057 121.311 121.223 0.052 0.000 2.072 190 L HA -0.249 4.086 4.340 -0.009 0.000 0.205 190 L C 2.570 179.481 176.870 0.068 0.000 1.079 190 L CA 2.130 57.007 54.840 0.063 0.000 0.752 190 L CB -0.907 41.197 42.059 0.075 0.000 0.906 190 L HN 0.226 nan 8.230 nan 0.000 0.436 191 Y N 1.263 121.516 120.300 -0.079 0.000 2.242 191 Y HA -0.192 4.352 4.550 -0.009 0.000 0.291 191 Y C 2.601 178.442 175.900 -0.099 0.000 1.137 191 Y CA 2.126 60.177 58.100 -0.081 0.000 1.181 191 Y CB -0.539 37.878 38.460 -0.071 0.000 0.989 191 Y HN 0.185 nan 8.280 nan 0.000 0.527 192 T N 0.266 114.723 114.554 -0.163 0.000 2.777 192 T HA -0.146 4.199 4.350 -0.009 0.000 0.266 192 T C 1.838 176.468 174.700 -0.116 0.000 1.040 192 T CA 1.521 63.490 62.100 -0.218 0.000 1.141 192 T CB -0.187 68.526 68.868 -0.258 0.000 0.868 192 T HN 0.297 nan 8.240 nan 0.000 0.444 193 R N 0.221 120.684 120.500 -0.061 0.000 2.280 193 R HA 0.188 4.522 4.340 -0.009 0.000 0.207 193 R C 2.138 178.424 176.300 -0.024 0.000 1.043 193 R CA 0.712 56.807 56.100 -0.007 0.000 1.006 193 R CB -0.173 30.139 30.300 0.020 0.000 0.885 193 R HN 0.442 nan 8.270 nan 0.000 0.467 194 M N -0.982 118.564 119.600 -0.090 0.000 2.447 194 M HA 0.037 4.512 4.480 -0.009 0.000 0.266 194 M C 1.885 178.095 176.300 -0.150 0.000 1.120 194 M CA 0.815 56.049 55.300 -0.110 0.000 1.166 194 M CB 0.134 32.653 32.600 -0.135 0.000 1.349 194 M HN 0.036 nan 8.290 nan 0.000 0.463 195 M N 0.546 119.999 119.600 -0.244 0.000 2.123 195 M HA 0.005 4.480 4.480 -0.009 0.000 0.263 195 M C 1.962 178.315 176.300 0.088 0.000 1.069 195 M CA 1.662 56.867 55.300 -0.158 0.000 1.133 195 M CB -0.615 31.831 32.600 -0.257 0.000 1.356 195 M HN 0.372 nan 8.290 nan 0.000 0.415 196 I N -4.737 115.916 120.570 0.139 0.000 4.225 196 I HA 0.389 4.554 4.170 -0.009 0.000 0.327 196 I C 1.594 177.872 176.117 0.269 0.000 1.422 196 I CA 0.095 61.609 61.300 0.358 0.000 1.150 196 I CB -0.554 37.786 38.000 0.568 0.000 1.192 196 I HN 0.075 nan 8.210 nan 0.000 0.440 197 G N 2.015 110.886 108.800 0.119 0.000 2.442 197 G HA2 -0.307 3.648 3.960 -0.009 0.000 0.219 197 G HA3 -0.307 3.648 3.960 -0.009 0.000 0.219 197 G C 1.666 176.604 174.900 0.064 0.000 1.141 197 G CA 1.147 46.295 45.100 0.081 0.000 0.763 197 G HN 0.388 nan 8.290 nan 0.000 0.554 198 R N -0.243 120.289 120.500 0.053 0.000 2.073 198 R HA -0.052 4.283 4.340 -0.009 0.000 0.234 198 R C 2.162 178.479 176.300 0.030 0.000 1.134 198 R CA 1.440 57.547 56.100 0.012 0.000 0.952 198 R CB -0.842 29.436 30.300 -0.037 0.000 0.850 198 R HN 0.318 nan 8.270 nan 0.000 0.433 199 F N 0.441 120.357 119.950 -0.056 0.000 2.069 199 F HA -0.274 4.247 4.527 -0.009 0.000 0.298 199 F C 2.065 177.842 175.800 -0.038 0.000 1.113 199 F CA 1.745 59.739 58.000 -0.010 0.000 1.214 199 F CB -0.889 38.245 39.000 0.224 0.000 0.978 199 F HN 0.115 nan 8.300 nan 0.000 0.474 200 C N 0.990 120.195 119.300 -0.158 0.000 2.398 200 C HA -0.187 4.268 4.460 -0.009 0.000 0.276 200 C C 3.167 177.752 174.990 -0.674 0.000 1.222 200 C CA 1.224 59.956 59.018 -0.476 0.000 1.746 200 C CB -2.027 25.582 27.740 -0.218 0.000 2.039 200 C HN 0.679 nan 8.230 nan 0.000 0.470 201 A N -0.062 122.582 122.820 -0.294 0.000 1.892 201 A HA -0.306 4.008 4.320 -0.009 0.000 0.218 201 A C 2.069 179.564 177.584 -0.148 0.000 1.188 201 A CA 2.434 54.400 52.037 -0.120 0.000 0.631 201 A CB -0.744 18.243 19.000 -0.022 0.000 0.822 201 A HN 0.603 nan 8.150 nan 0.000 0.447 202 Q N -0.841 118.835 119.800 -0.206 0.000 2.119 202 Q HA -0.056 4.278 4.340 -0.009 0.000 0.201 202 Q C 2.105 177.971 176.000 -0.224 0.000 0.972 202 Q CA 1.827 57.525 55.803 -0.176 0.000 0.847 202 Q CB -0.320 28.320 28.738 -0.163 0.000 0.903 202 Q HN 0.717 nan 8.270 nan 0.000 0.433 203 M N -1.290 118.057 119.600 -0.421 0.000 2.086 203 M HA -0.191 4.284 4.480 -0.009 0.000 0.261 203 M C 1.916 178.139 176.300 -0.129 0.000 1.067 203 M CA 1.749 56.835 55.300 -0.357 0.000 1.116 203 M CB -0.636 31.631 32.600 -0.554 0.000 1.348 203 M HN 0.431 nan 8.290 nan 0.000 0.407 204 H N -0.157 118.849 119.070 -0.106 0.000 2.353 204 H HA -0.133 4.418 4.556 -0.009 0.000 0.298 204 H C 2.248 177.574 175.328 -0.003 0.000 1.103 204 H CA 1.632 57.658 56.048 -0.036 0.000 1.293 204 H CB -0.135 29.612 29.762 -0.025 0.000 1.372 204 H HN 0.453 nan 8.280 nan 0.000 0.501 205 S N -0.065 115.697 115.700 0.103 0.000 2.603 205 S HA 0.010 4.475 4.470 -0.009 0.000 0.220 205 S C 0.987 175.616 174.600 0.048 0.000 0.967 205 S CA 0.228 58.467 58.200 0.066 0.000 0.920 205 S CB 0.223 63.445 63.200 0.037 0.000 0.773 205 S HN 0.369 nan 8.310 nan 0.000 0.529 206 N N 2.183 120.906 118.700 0.038 0.000 2.299 206 N HA 0.127 4.862 4.740 -0.009 0.000 0.246 206 N C -1.011 174.537 175.510 0.064 0.000 1.254 206 N CA -0.167 52.904 53.050 0.034 0.000 0.879 206 N CB 0.340 38.822 38.487 -0.008 0.000 1.214 206 N HN 0.676 nan 8.380 nan 0.000 0.510 207 N N 0.918 119.688 118.700 0.115 0.000 2.407 207 N HA 0.356 5.091 4.740 -0.009 0.000 0.250 207 N C 0.634 176.268 175.510 0.206 0.000 1.236 207 N CA 0.374 53.523 53.050 0.166 0.000 0.879 207 N CB 0.718 39.358 38.487 0.255 0.000 1.088 207 N HN 0.127 nan 8.380 nan 0.000 0.450 208 G N 0.230 109.106 108.800 0.126 0.000 2.352 208 G HA2 0.125 4.080 3.960 -0.009 0.000 0.302 208 G HA3 0.125 4.080 3.960 -0.009 0.000 0.302 208 G C -2.522 172.328 174.900 -0.083 0.000 1.370 208 G CA -0.832 44.308 45.100 0.068 0.000 0.918 208 G HN 0.357 nan 8.290 nan 0.000 0.610 209 P HA -0.157 nan 4.420 nan 0.000 0.216 209 P C 1.809 179.026 177.300 -0.138 0.000 1.150 209 P CA 1.815 64.777 63.100 -0.230 0.000 0.843 209 P CB 0.258 31.596 31.700 -0.603 0.000 0.787 210 Q N 0.743 120.476 119.800 -0.112 0.000 1.998 210 Q HA -0.191 4.144 4.340 -0.009 0.000 0.209 210 Q C 1.751 177.736 176.000 -0.024 0.000 1.002 210 Q CA 2.054 57.820 55.803 -0.062 0.000 0.858 210 Q CB -1.179 27.533 28.738 -0.042 0.000 0.932 210 Q HN 0.379 nan 8.270 nan 0.000 0.416 211 I N -3.995 116.574 120.570 -0.002 0.000 3.793 211 I HA 0.442 4.607 4.170 -0.009 0.000 0.315 211 I C 1.079 177.281 176.117 0.141 0.000 1.275 211 I CA 0.412 61.739 61.300 0.044 0.000 1.214 211 I CB -0.451 37.550 38.000 0.002 0.000 1.018 211 I HN 0.337 nan 8.210 nan 0.000 0.439 212 G N 1.927 110.768 108.800 0.068 0.000 2.283 212 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.280 212 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.280 212 G C 0.156 175.102 174.900 0.076 0.000 1.029 212 G CA 0.673 45.810 45.100 0.062 0.000 0.840 212 G HN 0.634 nan 8.290 nan 0.000 0.505 213 S N -1.020 114.720 115.700 0.067 0.000 2.502 213 S HA 0.764 5.228 4.470 -0.009 0.000 0.304 213 S C 0.753 175.418 174.600 0.107 0.000 1.097 213 S CA 0.521 58.773 58.200 0.086 0.000 1.045 213 S CB 1.623 64.866 63.200 0.072 0.000 1.019 213 S HN 1.508 nan 8.310 nan 0.000 0.481 214 A N 4.167 127.103 122.820 0.193 0.000 2.390 214 A HA 0.411 4.726 4.320 -0.009 0.000 0.232 214 A C 0.193 177.995 177.584 0.364 0.000 1.233 214 A CA -0.089 52.173 52.037 0.375 0.000 0.907 214 A CB 0.033 19.449 19.000 0.694 0.000 0.967 214 A HN 0.688 nan 8.150 nan 0.000 0.512 215 V N 0.773 120.702 119.914 0.024 0.000 2.446 215 V HA 0.471 4.586 4.120 -0.009 0.000 0.276 215 V C 1.395 177.570 176.094 0.134 0.000 1.030 215 V CA 1.204 63.400 62.300 -0.174 0.000 1.033 215 V CB -0.017 31.654 31.823 -0.254 0.000 0.993 215 V HN 0.962 nan 8.190 nan 0.000 0.477 216 G N 3.172 112.069 108.800 0.162 0.000 2.205 216 G HA2 -0.190 3.765 3.960 -0.009 0.000 0.180 216 G HA3 -0.190 3.765 3.960 -0.009 0.000 0.180 216 G C 0.322 175.328 174.900 0.176 0.000 1.004 216 G CA -0.175 44.994 45.100 0.115 0.000 0.670 216 G HN 1.106 nan 8.290 nan 0.000 0.496 217 C N -0.291 119.182 119.300 0.289 0.000 2.396 217 C HA 0.833 5.288 4.460 -0.009 0.000 0.359 217 C C 0.462 175.568 174.990 0.193 0.000 1.307 217 C CA -0.826 58.368 59.018 0.294 0.000 2.392 217 C CB 1.510 29.569 27.740 0.532 0.000 2.245 217 C HN 0.453 nan 8.230 nan 0.000 0.615 218 N N 1.069 119.847 118.700 0.129 0.000 2.682 218 N HA 0.318 5.053 4.740 -0.009 0.000 0.252 218 N C -2.072 173.462 175.510 0.040 0.000 1.081 218 N CA -1.425 51.658 53.050 0.055 0.000 0.844 218 N CB 1.377 39.878 38.487 0.024 0.000 1.167 218 N HN 0.384 nan 8.380 nan 0.000 0.523 219 P HA -0.158 nan 4.420 nan 0.000 0.219 219 P C 0.476 177.653 177.300 -0.206 0.000 1.149 219 P CA 1.327 64.287 63.100 -0.234 0.000 0.835 219 P CB 0.464 31.787 31.700 -0.628 0.000 0.778 220 D N -1.694 118.664 120.400 -0.069 0.000 2.144 220 D HA -0.113 4.521 4.640 -0.009 0.000 0.200 220 D C 1.712 178.138 176.300 0.210 0.000 0.978 220 D CA 1.319 55.383 54.000 0.107 0.000 0.833 220 D CB -0.059 40.837 40.800 0.161 0.000 0.961 220 D HN 0.122 nan 8.370 nan 0.000 0.470 221 V N -3.556 116.405 119.914 0.078 0.000 3.151 221 V HA 0.143 4.257 4.120 -0.009 0.000 0.241 221 V C 1.270 177.358 176.094 -0.009 0.000 1.173 221 V CA 0.326 62.625 62.300 -0.001 0.000 1.154 221 V CB -0.026 31.750 31.823 -0.078 0.000 0.898 221 V HN -0.133 nan 8.190 nan 0.000 0.473 222 D N -0.282 120.085 120.400 -0.054 0.000 2.312 222 D HA -0.117 4.518 4.640 -0.009 0.000 0.211 222 D C 1.764 177.863 176.300 -0.335 0.000 0.964 222 D CA 1.071 54.856 54.000 -0.358 0.000 0.877 222 D CB -0.144 40.322 40.800 -0.557 0.000 0.924 222 D HN 0.674 nan 8.370 nan 0.000 0.515 223 W N 1.210 122.420 121.300 -0.149 0.000 2.363 223 W HA -0.213 4.441 4.660 -0.009 0.000 0.296 223 W C 2.301 178.975 176.519 0.257 0.000 1.212 223 W CA 0.637 58.074 57.345 0.153 0.000 1.260 223 W CB 0.250 29.796 29.460 0.143 0.000 1.131 223 W HN 0.027 nan 8.180 nan 0.000 0.530 224 Q N 0.777 120.818 119.800 0.401 0.000 2.172 224 Q HA -0.154 4.181 4.340 -0.009 0.000 0.200 224 Q C 2.194 178.368 176.000 0.290 0.000 0.964 224 Q CA 1.402 57.471 55.803 0.445 0.000 0.855 224 Q CB -0.693 28.249 28.738 0.340 0.000 0.918 224 Q HN 0.011 nan 8.270 nan 0.000 0.444 225 R N -0.953 119.604 120.500 0.095 0.000 2.115 225 R HA -0.053 4.282 4.340 -0.009 0.000 0.226 225 R C 1.341 177.778 176.300 0.228 0.000 1.100 225 R CA 1.027 57.177 56.100 0.083 0.000 0.980 225 R CB -0.080 30.183 30.300 -0.063 0.000 0.875 225 R HN 0.290 nan 8.270 nan 0.000 0.445 226 F N -0.221 119.792 119.950 0.105 0.000 2.147 226 F HA 0.180 4.702 4.527 -0.008 0.000 0.291 226 F C 2.551 178.253 175.800 -0.163 0.000 1.093 226 F CA 0.770 58.769 58.000 -0.001 0.000 1.263 226 F CB -1.526 37.387 39.000 -0.146 0.000 1.036 226 F HN 0.095 nan 8.300 nan 0.000 0.481 227 G N 0.406 109.036 108.800 -0.283 0.000 2.624 227 G HA2 -0.402 3.553 3.960 -0.009 0.000 0.221 227 G HA3 -0.402 3.553 3.960 -0.009 0.000 0.221 227 G C 1.713 176.359 174.900 -0.424 0.000 1.169 227 G CA 2.668 47.188 45.100 -0.968 0.000 0.771 227 G HN 0.429 nan 8.290 nan 0.000 0.598 228 T N -1.736 112.871 114.554 0.088 0.000 2.720 228 T HA -0.256 4.089 4.350 -0.009 0.000 0.268 228 T C 2.055 176.872 174.700 0.194 0.000 1.037 228 T CA 1.940 64.205 62.100 0.274 0.000 1.144 228 T CB -0.556 68.491 68.868 0.299 0.000 0.864 228 T HN 0.499 nan 8.240 nan 0.000 0.444 229 H N 0.940 120.086 119.070 0.126 0.000 2.270 229 H HA 0.018 4.569 4.556 -0.009 0.000 0.299 229 H C 1.673 177.040 175.328 0.065 0.000 1.077 229 H CA 1.825 57.937 56.048 0.106 0.000 1.294 229 H CB -0.700 29.122 29.762 0.099 0.000 1.371 229 H HN 0.429 nan 8.280 nan 0.000 0.491 230 F N 0.004 119.829 119.950 -0.209 0.000 2.407 230 F HA 0.145 4.666 4.527 -0.009 0.000 0.299 230 F C 2.474 178.168 175.800 -0.176 0.000 1.097 230 F CA 0.834 58.653 58.000 -0.303 0.000 1.422 230 F CB -0.489 38.244 39.000 -0.445 0.000 1.067 230 F HN 0.294 nan 8.300 nan 0.000 0.539 231 A N -0.611 122.223 122.820 0.024 0.000 2.291 231 A HA -0.030 4.285 4.320 -0.009 0.000 0.220 231 A C 1.933 179.548 177.584 0.051 0.000 1.262 231 A CA 0.432 52.499 52.037 0.051 0.000 0.867 231 A CB -0.672 18.414 19.000 0.144 0.000 0.888 231 A HN 0.494 nan 8.150 nan 0.000 0.487 232 Q N -1.672 118.147 119.800 0.031 0.000 2.353 232 Q HA 0.147 4.482 4.340 -0.009 0.000 0.240 232 Q C -0.565 175.337 176.000 -0.163 0.000 0.868 232 Q CA -0.012 55.754 55.803 -0.062 0.000 0.944 232 Q CB 0.295 28.964 28.738 -0.115 0.000 1.104 232 Q HN 0.592 nan 8.270 nan 0.000 0.531 233 Y N 0.021 120.193 120.300 -0.213 0.000 2.392 233 Y HA 0.308 4.853 4.550 -0.008 0.000 0.323 233 Y C 1.440 177.250 175.900 -0.150 0.000 1.291 233 Y CA -0.564 57.418 58.100 -0.196 0.000 1.345 233 Y CB 0.692 39.007 38.460 -0.241 0.000 1.320 233 Y HN -0.118 nan 8.280 nan 0.000 0.518 234 R N 0.295 120.802 120.500 0.011 0.000 2.060 234 R HA 0.007 4.342 4.340 -0.009 0.000 0.225 234 R C -0.311 175.921 176.300 -0.113 0.000 1.155 234 R CA 0.943 57.011 56.100 -0.053 0.000 0.930 234 R CB -0.209 30.057 30.300 -0.057 0.000 0.829 234 R HN 0.630 nan 8.270 nan 0.000 0.433 235 N N 1.074 119.667 118.700 -0.179 0.000 2.421 235 N HA 0.206 4.941 4.740 -0.009 0.000 0.285 235 N C -1.197 173.998 175.510 -0.526 0.000 1.027 235 N CA -0.145 52.603 53.050 -0.503 0.000 0.918 235 N CB 2.666 40.625 38.487 -0.881 0.000 1.152 235 N HN -0.118 nan 8.380 nan 0.000 0.485 236 V N 2.899 122.500 119.914 -0.521 0.000 2.407 236 V HA 0.367 4.482 4.120 -0.009 0.000 0.291 236 V C -0.513 175.364 176.094 -0.363 0.000 1.018 236 V CA -0.822 61.308 62.300 -0.285 0.000 0.842 236 V CB 1.491 33.246 31.823 -0.113 0.000 0.996 236 V HN 0.586 nan 8.190 nan 0.000 0.426 237 W N 2.229 123.466 121.300 -0.106 0.000 2.520 237 W HA 0.461 5.116 4.660 -0.008 0.000 0.323 237 W C -0.427 175.991 176.519 -0.168 0.000 1.062 237 W CA -0.677 56.541 57.345 -0.213 0.000 1.215 237 W CB 2.028 31.115 29.460 -0.622 0.000 1.340 237 W HN 0.562 nan 8.180 nan 0.000 0.516 238 D N 2.324 122.777 120.400 0.088 0.000 2.434 238 D HA 0.305 4.940 4.640 -0.009 0.000 0.275 238 D C -0.590 175.726 176.300 0.025 0.000 1.172 238 D CA -0.082 53.931 54.000 0.022 0.000 0.916 238 D CB 0.657 41.436 40.800 -0.035 0.000 1.041 238 D HN -0.129 nan 8.370 nan 0.000 0.501 239 V N 2.225 122.151 119.914 0.020 0.000 2.881 239 V HA 0.311 4.426 4.120 -0.009 0.000 0.303 239 V C 0.448 176.435 176.094 -0.178 0.000 1.070 239 V CA -0.207 62.077 62.300 -0.027 0.000 1.074 239 V CB 1.366 33.096 31.823 -0.155 0.000 1.012 239 V HN 0.430 nan 8.190 nan 0.000 0.482 240 D N 0.591 120.842 120.400 -0.248 0.000 2.527 240 D HA 0.519 5.154 4.640 -0.009 0.000 0.233 240 D C -1.262 174.827 176.300 -0.352 0.000 1.063 240 D CA -0.171 53.693 54.000 -0.226 0.000 0.880 240 D CB 2.036 42.776 40.800 -0.100 0.000 1.457 240 D HN 0.421 nan 8.370 nan 0.000 0.475 241 Y N -0.116 120.188 120.300 0.007 0.000 2.429 241 Y HA 0.325 4.870 4.550 -0.009 0.000 0.342 241 Y C 0.545 176.489 175.900 0.074 0.000 1.004 241 Y CA -0.835 57.299 58.100 0.057 0.000 1.075 241 Y CB 2.116 40.626 38.460 0.083 0.000 1.214 241 Y HN 0.109 nan 8.280 nan 0.000 0.455 242 S N 2.759 118.602 115.700 0.238 0.000 2.415 242 S HA 0.530 4.995 4.470 -0.009 0.000 0.313 242 S C 0.235 174.903 174.600 0.114 0.000 1.067 242 S CA 0.134 58.412 58.200 0.131 0.000 1.099 242 S CB -0.661 62.587 63.200 0.078 0.000 0.991 242 S HN 1.204 nan 8.310 nan 0.000 0.491 243 A N 4.357 127.235 122.820 0.095 0.000 2.800 243 A HA -0.208 4.106 4.320 -0.009 0.000 0.292 243 A C 0.742 178.329 177.584 0.005 0.000 1.474 243 A CA 0.806 52.858 52.037 0.024 0.000 0.744 243 A CB -2.708 16.265 19.000 -0.045 0.000 1.044 243 A HN 1.188 nan 8.150 nan 0.000 0.489 244 F N 1.251 121.160 119.950 -0.067 0.000 2.063 244 F HA -0.259 4.263 4.527 -0.008 0.000 0.298 244 F C 1.911 177.432 175.800 -0.465 0.000 1.109 244 F CA 2.780 60.657 58.000 -0.205 0.000 1.212 244 F CB -0.115 38.832 39.000 -0.088 0.000 0.973 244 F HN 0.577 nan 8.300 nan 0.000 0.480 245 D N 0.480 120.735 120.400 -0.242 0.000 2.087 245 D HA -0.199 4.436 4.640 -0.009 0.000 0.192 245 D C 2.294 178.398 176.300 -0.327 0.000 0.993 245 D CA 1.752 55.608 54.000 -0.240 0.000 0.828 245 D CB -0.933 39.882 40.800 0.024 0.000 0.968 245 D HN 0.404 nan 8.370 nan 0.000 0.448 246 A N 0.772 123.433 122.820 -0.266 0.000 2.172 246 A HA -0.100 4.215 4.320 -0.009 0.000 0.216 246 A C 1.444 178.856 177.584 -0.287 0.000 1.154 246 A CA 0.748 52.612 52.037 -0.287 0.000 0.701 246 A CB -0.184 18.570 19.000 -0.409 0.000 0.789 246 A HN 0.114 nan 8.150 nan 0.000 0.465 247 N N 0.500 118.972 118.700 -0.381 0.000 2.320 247 N HA 0.037 4.772 4.740 -0.009 0.000 0.237 247 N C -0.808 174.492 175.510 -0.350 0.000 1.129 247 N CA 0.002 52.868 53.050 -0.308 0.000 0.854 247 N CB 0.038 38.388 38.487 -0.229 0.000 1.083 247 N HN 0.442 nan 8.380 nan 0.000 0.504 248 H N 1.091 120.044 119.070 -0.194 0.000 2.846 248 H HA 0.074 4.624 4.556 -0.009 0.000 0.278 248 H C 0.965 176.217 175.328 -0.126 0.000 1.117 248 H CA -0.721 55.222 56.048 -0.174 0.000 1.406 248 H CB 0.218 29.875 29.762 -0.175 0.000 1.445 248 H HN 0.252 nan 8.280 nan 0.000 0.469 249 C N 2.453 121.725 119.300 -0.046 0.000 2.665 249 C HA 0.061 4.516 4.460 -0.009 0.000 0.416 249 C C 2.037 176.988 174.990 -0.066 0.000 1.305 249 C CA -0.445 58.526 59.018 -0.079 0.000 1.903 249 C CB 0.213 27.865 27.740 -0.145 0.000 2.704 249 C HN 0.804 nan 8.230 nan 0.000 0.629 250 S N 1.991 117.665 115.700 -0.042 0.000 2.359 250 S HA -0.168 4.297 4.470 -0.009 0.000 0.224 250 S C 1.266 175.837 174.600 -0.048 0.000 1.035 250 S CA 2.439 60.627 58.200 -0.020 0.000 1.018 250 S CB -0.511 62.687 63.200 -0.003 0.000 0.876 250 S HN 0.936 nan 8.310 nan 0.000 0.448 251 D N 1.813 122.160 120.400 -0.088 0.000 2.123 251 D HA -0.044 4.591 4.640 -0.009 0.000 0.196 251 D C 2.060 178.248 176.300 -0.186 0.000 0.992 251 D CA 1.274 55.209 54.000 -0.107 0.000 0.833 251 D CB -0.310 40.412 40.800 -0.129 0.000 0.954 251 D HN 0.432 nan 8.370 nan 0.000 0.455 252 A N -0.042 122.566 122.820 -0.353 0.000 1.968 252 A HA -0.090 4.225 4.320 -0.009 0.000 0.217 252 A C 2.096 179.596 177.584 -0.141 0.000 1.169 252 A CA 0.958 52.652 52.037 -0.571 0.000 0.638 252 A CB -0.397 18.201 19.000 -0.671 0.000 0.812 252 A HN 0.128 nan 8.150 nan 0.000 0.446 253 M N -0.771 118.729 119.600 -0.168 0.000 2.098 253 M HA -0.109 4.365 4.480 -0.009 0.000 0.262 253 M C 1.968 178.107 176.300 -0.268 0.000 1.072 253 M CA 1.616 56.733 55.300 -0.305 0.000 1.133 253 M CB -0.570 31.973 32.600 -0.095 0.000 1.344 253 M HN 0.501 nan 8.290 nan 0.000 0.414 254 N N 0.585 119.303 118.700 0.030 0.000 2.166 254 N HA -0.111 4.624 4.740 -0.009 0.000 0.186 254 N C 1.688 177.277 175.510 0.131 0.000 1.019 254 N CA 1.063 54.214 53.050 0.168 0.000 0.856 254 N CB -0.092 38.470 38.487 0.126 0.000 0.993 254 N HN 0.277 nan 8.380 nan 0.000 0.426 255 I N 0.665 121.297 120.570 0.102 0.000 2.315 255 I HA -0.221 3.944 4.170 -0.009 0.000 0.248 255 I C 2.547 178.726 176.117 0.103 0.000 1.117 255 I CA 0.666 62.057 61.300 0.151 0.000 1.404 255 I CB -0.167 38.002 38.000 0.280 0.000 1.071 255 I HN 0.299 nan 8.210 nan 0.000 0.419 256 M N 1.011 120.628 119.600 0.028 0.000 2.086 256 M HA -0.216 4.258 4.480 -0.009 0.000 0.261 256 M C 2.296 178.589 176.300 -0.012 0.000 1.067 256 M CA 2.216 57.450 55.300 -0.111 0.000 1.116 256 M CB -0.631 31.793 32.600 -0.293 0.000 1.348 256 M HN 0.082 nan 8.290 nan 0.000 0.407 257 F N 0.812 120.826 119.950 0.105 0.000 2.171 257 F HA -0.151 4.370 4.527 -0.009 0.000 0.300 257 F C 2.529 178.421 175.800 0.153 0.000 1.090 257 F CA 1.595 59.660 58.000 0.109 0.000 1.293 257 F CB -1.181 37.773 39.000 -0.076 0.000 1.013 257 F HN 0.352 nan 8.300 nan 0.000 0.486 258 E N -0.082 120.286 120.200 0.281 0.000 2.347 258 E HA -0.145 4.200 4.350 -0.009 0.000 0.196 258 E C 1.635 178.329 176.600 0.157 0.000 1.008 258 E CA 0.764 57.282 56.400 0.197 0.000 0.852 258 E CB 0.166 29.960 29.700 0.157 0.000 0.783 258 E HN 0.337 nan 8.360 nan 0.000 0.505 259 E N -0.513 119.762 120.200 0.125 0.000 2.290 259 E HA -0.000 4.345 4.350 -0.009 0.000 0.197 259 E C 1.831 178.430 176.600 -0.002 0.000 0.948 259 E CA 0.396 56.840 56.400 0.073 0.000 0.895 259 E CB 0.736 30.441 29.700 0.007 0.000 0.865 259 E HN 0.126 nan 8.360 nan 0.000 0.486 260 V N 0.203 120.059 119.914 -0.096 0.000 3.608 260 V HA 0.054 4.168 4.120 -0.009 0.000 0.269 260 V C 0.392 175.905 176.094 -0.969 0.000 1.245 260 V CA 0.704 62.681 62.300 -0.539 0.000 1.138 260 V CB -0.289 31.208 31.823 -0.543 0.000 0.841 260 V HN 0.057 nan 8.190 nan 0.000 0.451 261 F N 0.257 119.981 119.950 -0.377 0.000 2.688 261 F HA 0.466 4.988 4.527 -0.008 0.000 0.376 261 F C 0.897 176.530 175.800 -0.278 0.000 1.428 261 F CA -0.923 56.615 58.000 -0.771 0.000 1.156 261 F CB 0.092 38.729 39.000 -0.605 0.000 1.141 261 F HN -0.091 nan 8.300 nan 0.000 0.521 262 R N -0.298 120.291 120.500 0.149 0.000 2.637 262 R HA 0.257 4.592 4.340 -0.009 0.000 0.269 262 R C 1.556 178.014 176.300 0.263 0.000 1.089 262 R CA 0.535 56.764 56.100 0.215 0.000 1.177 262 R CB 0.591 31.001 30.300 0.184 0.000 1.091 262 R HN 0.308 nan 8.270 nan 0.000 0.540 263 T N -2.098 112.554 114.554 0.163 0.000 3.023 263 T HA -0.052 4.292 4.350 -0.009 0.000 0.266 263 T C 1.099 175.838 174.700 0.064 0.000 1.093 263 T CA 0.734 62.924 62.100 0.151 0.000 1.129 263 T CB -0.026 68.887 68.868 0.075 0.000 0.899 263 T HN 0.547 nan 8.240 nan 0.000 0.491 264 E N 0.725 120.885 120.200 -0.066 0.000 2.265 264 E HA 0.041 4.385 4.350 -0.009 0.000 0.196 264 E C 0.762 177.216 176.600 -0.243 0.000 0.996 264 E CA 0.813 57.081 56.400 -0.221 0.000 0.832 264 E CB -0.388 29.074 29.700 -0.398 0.000 0.756 264 E HN 0.600 nan 8.360 nan 0.000 0.491 265 F N -0.789 119.220 119.950 0.098 0.000 2.732 265 F HA 0.319 4.841 4.527 -0.009 0.000 0.303 265 F C 1.630 177.422 175.800 -0.013 0.000 1.110 265 F CA 0.409 58.439 58.000 0.049 0.000 1.355 265 F CB 0.631 39.654 39.000 0.038 0.000 1.081 265 F HN 0.076 nan 8.300 nan 0.000 0.565 266 G N -0.671 108.216 108.800 0.145 0.000 2.194 266 G HA2 -0.271 3.684 3.960 -0.009 0.000 0.236 266 G HA3 -0.271 3.684 3.960 -0.009 0.000 0.236 266 G C 0.299 175.182 174.900 -0.029 0.000 0.987 266 G CA -0.625 44.475 45.100 -0.000 0.000 0.635 266 G HN 0.131 nan 8.290 nan 0.000 0.520 267 F N 1.734 121.718 119.950 0.057 0.000 2.444 267 F HA 0.505 5.027 4.527 -0.008 0.000 0.331 267 F C 1.268 177.140 175.800 0.119 0.000 1.167 267 F CA -0.424 57.636 58.000 0.101 0.000 1.262 267 F CB 0.446 39.534 39.000 0.147 0.000 1.196 267 F HN 0.108 nan 8.300 nan 0.000 0.583 268 H N 3.726 122.932 119.070 0.227 0.000 2.582 268 H HA 0.155 4.706 4.556 -0.009 0.000 0.345 268 H C -1.866 173.564 175.328 0.170 0.000 1.104 268 H CA -2.150 53.982 56.048 0.141 0.000 1.390 268 H CB 1.546 31.356 29.762 0.080 0.000 1.461 268 H HN 0.239 nan 8.280 nan 0.000 0.551 269 P HA -0.136 nan 4.420 nan 0.000 0.221 269 P C 0.432 177.950 177.300 0.362 0.000 1.141 269 P CA 1.223 64.454 63.100 0.219 0.000 0.794 269 P CB 0.403 32.133 31.700 0.049 0.000 0.764 270 N N -1.847 117.201 118.700 0.581 0.000 2.299 270 N HA 0.120 4.855 4.740 -0.009 0.000 0.187 270 N C 1.446 177.156 175.510 0.333 0.000 1.099 270 N CA 0.456 53.754 53.050 0.414 0.000 0.867 270 N CB -0.510 38.150 38.487 0.288 0.000 0.974 270 N HN 0.006 nan 8.380 nan 0.000 0.477 271 A N 0.940 123.918 122.820 0.262 0.000 1.902 271 A HA -0.169 4.146 4.320 -0.009 0.000 0.217 271 A C 2.083 179.676 177.584 0.014 0.000 1.181 271 A CA 1.486 53.615 52.037 0.153 0.000 0.623 271 A CB -0.414 18.805 19.000 0.366 0.000 0.818 271 A HN 0.390 nan 8.150 nan 0.000 0.443 272 E N -1.692 118.570 120.200 0.104 0.000 2.106 272 E HA -0.218 4.127 4.350 -0.009 0.000 0.192 272 E C 1.799 178.404 176.600 0.008 0.000 0.984 272 E CA 1.182 57.597 56.400 0.024 0.000 0.806 272 E CB -0.285 29.502 29.700 0.144 0.000 0.750 272 E HN 0.758 nan 8.360 nan 0.000 0.458 273 W N 1.224 122.519 121.300 -0.009 0.000 2.352 273 W HA -0.227 4.428 4.660 -0.008 0.000 0.322 273 W C 2.040 178.559 176.519 0.000 0.000 1.208 273 W CA 1.675 59.032 57.345 0.019 0.000 1.286 273 W CB -0.766 28.749 29.460 0.092 0.000 1.167 273 W HN 0.174 nan 8.180 nan 0.000 0.469 274 I N 0.996 121.590 120.570 0.041 0.000 2.300 274 I HA -0.340 3.825 4.170 -0.009 0.000 0.252 274 I C 2.200 178.117 176.117 -0.333 0.000 1.119 274 I CA 1.897 63.081 61.300 -0.193 0.000 1.384 274 I CB -0.644 37.426 38.000 0.117 0.000 1.062 274 I HN 0.162 nan 8.210 nan 0.000 0.426 275 L N -0.578 120.346 121.223 -0.498 0.000 2.131 275 L HA -0.109 4.226 4.340 -0.009 0.000 0.206 275 L C 2.359 178.689 176.870 -0.899 0.000 1.087 275 L CA 0.854 55.183 54.840 -0.852 0.000 0.767 275 L CB -0.646 40.532 42.059 -1.468 0.000 0.917 275 L HN 0.092 nan 8.230 nan 0.000 0.441 276 K N -0.028 119.977 120.400 -0.657 0.000 2.280 276 K HA -0.136 4.178 4.320 -0.009 0.000 0.202 276 K C 2.037 178.475 176.600 -0.269 0.000 1.047 276 K CA 1.729 57.812 56.287 -0.339 0.000 0.942 276 K CB -0.247 32.156 32.500 -0.162 0.000 0.739 276 K HN 0.470 nan 8.250 nan 0.000 0.457 277 T N -0.479 113.852 114.554 -0.372 0.000 2.962 277 T HA -0.059 4.286 4.350 -0.009 0.000 0.270 277 T C 1.738 176.385 174.700 -0.088 0.000 1.088 277 T CA 0.655 62.578 62.100 -0.295 0.000 1.127 277 T CB -0.272 68.411 68.868 -0.309 0.000 0.883 277 T HN 0.124 nan 8.240 nan 0.000 0.493 278 L N 0.832 122.026 121.223 -0.048 0.000 2.549 278 L HA 0.041 4.375 4.340 -0.009 0.000 0.229 278 L C 2.431 179.340 176.870 0.065 0.000 1.158 278 L CA 0.009 54.877 54.840 0.047 0.000 0.842 278 L CB -0.583 41.501 42.059 0.041 0.000 0.952 278 L HN 0.210 nan 8.230 nan 0.000 0.452 279 V N -0.457 119.476 119.914 0.032 0.000 2.251 279 V HA -0.171 3.943 4.120 -0.009 0.000 0.237 279 V C 0.854 176.956 176.094 0.013 0.000 1.040 279 V CA 1.149 63.481 62.300 0.053 0.000 1.005 279 V CB -0.382 31.470 31.823 0.048 0.000 0.645 279 V HN 0.494 nan 8.190 nan 0.000 0.458 280 N N 1.563 120.239 118.700 -0.041 0.000 2.439 280 N HA 0.291 5.026 4.740 -0.009 0.000 0.243 280 N C -0.332 175.103 175.510 -0.124 0.000 1.088 280 N CA -0.086 52.921 53.050 -0.071 0.000 0.940 280 N CB 0.647 39.081 38.487 -0.088 0.000 1.180 280 N HN 0.613 nan 8.380 nan 0.000 0.505 281 T N -1.009 113.474 114.554 -0.118 0.000 2.940 281 T HA 0.358 4.703 4.350 -0.009 0.000 0.288 281 T C -0.404 174.121 174.700 -0.291 0.000 1.033 281 T CA -0.941 61.044 62.100 -0.191 0.000 1.033 281 T CB 2.455 71.211 68.868 -0.187 0.000 1.079 281 T HN 0.339 nan 8.240 nan 0.000 0.496 282 E N 1.129 121.155 120.200 -0.291 0.000 2.182 282 E HA 0.238 4.583 4.350 -0.009 0.000 0.258 282 E C -0.838 175.646 176.600 -0.194 0.000 0.879 282 E CA -0.805 55.462 56.400 -0.223 0.000 0.754 282 E CB 0.602 30.220 29.700 -0.137 0.000 1.162 282 E HN 0.675 nan 8.360 nan 0.000 0.419 283 H N 1.875 120.996 119.070 0.086 0.000 2.481 283 H HA 0.428 4.978 4.556 -0.010 0.000 0.339 283 H C -0.467 174.938 175.328 0.127 0.000 1.131 283 H CA -0.468 55.661 56.048 0.135 0.000 1.301 283 H CB 1.878 31.763 29.762 0.205 0.000 1.476 283 H HN 0.499 nan 8.280 nan 0.000 0.529 284 A N 3.826 126.811 122.820 0.274 0.000 2.938 284 A HA 0.121 4.436 4.320 -0.009 0.000 0.344 284 A C -1.034 176.670 177.584 0.199 0.000 1.142 284 A CA -0.580 51.561 52.037 0.174 0.000 0.841 284 A CB -0.506 18.553 19.000 0.100 0.000 1.083 284 A HN 0.601 nan 8.150 nan 0.000 0.479 285 Y N 2.451 122.822 120.300 0.117 0.000 2.600 285 Y HA 0.330 4.874 4.550 -0.011 0.000 0.351 285 Y C 0.809 176.726 175.900 0.028 0.000 1.042 285 Y CA 0.219 58.385 58.100 0.111 0.000 1.333 285 Y CB -0.565 38.056 38.460 0.267 0.000 1.172 285 Y HN 0.992 nan 8.280 nan 0.000 0.517 286 E N 1.221 121.208 120.200 -0.355 0.000 3.213 286 E HA -0.448 3.897 4.350 -0.009 0.000 0.374 286 E C 0.852 177.350 176.600 -0.169 0.000 1.500 286 E CA 1.568 57.762 56.400 -0.343 0.000 1.497 286 E CB -0.871 28.501 29.700 -0.545 0.000 1.692 286 E HN 0.791 nan 8.360 nan 0.000 0.494 287 N N 2.283 120.892 118.700 -0.153 0.000 2.457 287 N HA -0.036 4.699 4.740 -0.009 0.000 0.180 287 N C 0.127 175.606 175.510 -0.052 0.000 1.050 287 N CA 0.967 53.967 53.050 -0.083 0.000 0.906 287 N CB 0.061 38.504 38.487 -0.075 0.000 0.968 287 N HN 0.171 nan 8.380 nan 0.000 0.445 288 K N 0.676 121.052 120.400 -0.041 0.000 2.118 288 K HA 0.302 4.617 4.320 -0.009 0.000 0.264 288 K C -0.071 176.539 176.600 0.016 0.000 1.000 288 K CA -0.575 55.703 56.287 -0.014 0.000 0.929 288 K CB 1.245 33.736 32.500 -0.015 0.000 1.021 288 K HN -0.114 nan 8.250 nan 0.000 0.463 289 R N 2.871 123.371 120.500 -0.000 0.000 2.494 289 R HA 0.262 4.597 4.340 -0.009 0.000 0.284 289 R C -0.855 175.446 176.300 0.002 0.000 1.525 289 R CA -0.751 55.358 56.100 0.015 0.000 1.460 289 R CB -0.182 30.114 30.300 -0.006 0.000 1.134 289 R HN 0.476 nan 8.270 nan 0.000 0.592 290 I N 0.849 121.438 120.570 0.032 0.000 2.474 290 I HA 0.214 4.378 4.170 -0.009 0.000 0.287 290 I C 0.848 176.979 176.117 0.024 0.000 1.048 290 I CA 0.190 61.495 61.300 0.008 0.000 1.383 290 I CB 1.059 39.056 38.000 -0.004 0.000 1.412 290 I HN 0.113 nan 8.210 nan 0.000 0.531 291 T N 5.369 119.912 114.554 -0.019 0.000 2.797 291 T HA 0.698 5.042 4.350 -0.009 0.000 0.279 291 T C -0.368 174.317 174.700 -0.025 0.000 0.991 291 T CA -0.525 61.547 62.100 -0.047 0.000 0.979 291 T CB 1.404 70.238 68.868 -0.056 0.000 0.943 291 T HN 0.280 nan 8.240 nan 0.000 0.444 292 V N 2.856 122.754 119.914 -0.026 0.000 2.823 292 V HA 0.479 4.594 4.120 -0.009 0.000 0.312 292 V C -0.352 175.763 176.094 0.035 0.000 1.072 292 V CA -0.976 61.350 62.300 0.044 0.000 0.937 292 V CB 2.264 34.193 31.823 0.175 0.000 1.013 292 V HN 0.847 nan 8.190 nan 0.000 0.430 293 E N 2.242 122.477 120.200 0.058 0.000 2.141 293 E HA 0.617 4.962 4.350 -0.009 0.000 0.259 293 E C 0.238 176.876 176.600 0.064 0.000 0.883 293 E CA 0.175 56.598 56.400 0.039 0.000 0.744 293 E CB 1.717 31.427 29.700 0.018 0.000 1.150 293 E HN 1.105 nan 8.360 nan 0.000 0.420 294 G N 2.061 110.902 108.800 0.068 0.000 2.483 294 G HA2 0.260 4.215 3.960 -0.009 0.000 0.521 294 G HA3 0.260 4.215 3.960 -0.009 0.000 0.521 294 G C 0.174 175.133 174.900 0.098 0.000 1.278 294 G CA -0.350 44.793 45.100 0.071 0.000 0.965 294 G HN 1.007 nan 8.290 nan 0.000 0.504 295 G N -1.635 107.212 108.800 0.079 0.000 2.855 295 G HA2 0.332 4.287 3.960 -0.009 0.000 0.352 295 G HA3 0.332 4.287 3.960 -0.009 0.000 0.352 295 G C -0.250 174.736 174.900 0.142 0.000 1.415 295 G CA 0.420 45.561 45.100 0.069 0.000 0.871 295 G HN 1.663 nan 8.290 nan 0.000 0.543 296 M N 0.703 120.392 119.600 0.148 0.000 2.197 296 M HA 0.351 4.826 4.480 -0.009 0.000 0.301 296 M C -2.443 173.942 176.300 0.141 0.000 0.987 296 M CA -2.164 53.235 55.300 0.166 0.000 0.921 296 M CB 1.746 34.465 32.600 0.200 0.000 1.569 296 M HN 0.205 nan 8.290 nan 0.000 0.431 297 P HA 0.059 nan 4.420 nan 0.000 0.258 297 P C -0.450 176.918 177.300 0.114 0.000 1.563 297 P CA 0.212 63.406 63.100 0.156 0.000 1.241 297 P CB -0.276 31.519 31.700 0.157 0.000 1.811 298 S N 2.737 118.493 115.700 0.093 0.000 2.870 298 S HA 0.243 4.708 4.470 -0.009 0.000 0.334 298 S C 1.525 176.165 174.600 0.067 0.000 1.115 298 S CA 0.795 59.045 58.200 0.083 0.000 1.570 298 S CB -0.986 62.252 63.200 0.065 0.000 1.405 298 S HN 0.689 nan 8.310 nan 0.000 0.605 299 G N 0.857 109.700 108.800 0.072 0.000 3.784 299 G HA2 -0.084 3.871 3.960 -0.009 0.000 0.220 299 G HA3 -0.084 3.871 3.960 -0.009 0.000 0.220 299 G C 0.180 175.110 174.900 0.050 0.000 0.895 299 G CA -0.192 44.937 45.100 0.047 0.000 0.939 299 G HN 0.887 nan 8.290 nan 0.000 0.708 300 C N 0.045 119.387 119.300 0.071 0.000 2.335 300 C HA 0.875 5.329 4.460 -0.009 0.000 0.363 300 C C 1.348 176.382 174.990 0.073 0.000 1.198 300 C CA -0.277 58.786 59.018 0.074 0.000 2.279 300 C CB 1.081 28.876 27.740 0.092 0.000 2.334 300 C HN 0.750 nan 8.230 nan 0.000 0.559 301 S N 0.987 116.723 115.700 0.059 0.000 2.552 301 S HA 0.378 4.843 4.470 -0.009 0.000 0.289 301 S C 1.113 175.758 174.600 0.075 0.000 1.304 301 S CA 0.778 59.012 58.200 0.056 0.000 1.063 301 S CB -0.335 62.878 63.200 0.022 0.000 0.848 301 S HN 2.739 nan 8.310 nan 0.000 0.499 302 A N 3.378 126.262 122.820 0.108 0.000 2.783 302 A HA -0.182 4.133 4.320 -0.009 0.000 0.292 302 A C 1.535 179.206 177.584 0.144 0.000 1.495 302 A CA 1.522 53.643 52.037 0.141 0.000 0.787 302 A CB -2.747 16.349 19.000 0.160 0.000 1.017 302 A HN 1.124 nan 8.150 nan 0.000 0.516 303 T N -1.314 113.318 114.554 0.130 0.000 2.904 303 T HA -0.038 4.307 4.350 -0.009 0.000 0.267 303 T C 2.012 176.803 174.700 0.152 0.000 1.059 303 T CA 2.320 64.501 62.100 0.136 0.000 1.137 303 T CB -0.227 68.716 68.868 0.125 0.000 0.879 303 T HN 0.765 nan 8.240 nan 0.000 0.467 304 S N 0.821 116.608 115.700 0.146 0.000 2.368 304 S HA 0.080 4.545 4.470 -0.009 0.000 0.224 304 S C 1.911 176.575 174.600 0.107 0.000 1.029 304 S CA 1.099 59.377 58.200 0.130 0.000 0.988 304 S CB -0.323 62.918 63.200 0.068 0.000 0.838 304 S HN 0.505 nan 8.310 nan 0.000 0.462 305 I N 1.512 122.153 120.570 0.118 0.000 2.226 305 I HA -0.195 3.970 4.170 -0.009 0.000 0.245 305 I C 2.026 178.261 176.117 0.196 0.000 1.100 305 I CA 1.215 62.602 61.300 0.145 0.000 1.374 305 I CB -0.441 37.669 38.000 0.184 0.000 1.057 305 I HN 0.255 nan 8.210 nan 0.000 0.413 306 I N 0.850 121.545 120.570 0.209 0.000 2.208 306 I HA -0.322 3.842 4.170 -0.009 0.000 0.245 306 I C 2.096 178.245 176.117 0.054 0.000 1.097 306 I CA 1.708 63.115 61.300 0.178 0.000 1.363 306 I CB -0.631 37.485 38.000 0.194 0.000 1.051 306 I HN 0.306 nan 8.210 nan 0.000 0.413 307 N N 0.368 119.130 118.700 0.103 0.000 2.106 307 N HA -0.139 4.596 4.740 -0.009 0.000 0.188 307 N C 1.790 177.446 175.510 0.243 0.000 1.029 307 N CA 1.870 55.031 53.050 0.185 0.000 0.848 307 N CB -0.573 38.142 38.487 0.381 0.000 1.007 307 N HN 0.217 nan 8.380 nan 0.000 0.423 308 T N 1.151 115.820 114.554 0.191 0.000 2.699 308 T HA -0.094 4.251 4.350 -0.009 0.000 0.268 308 T C 1.928 176.679 174.700 0.084 0.000 1.036 308 T CA 0.969 63.160 62.100 0.151 0.000 1.147 308 T CB -0.377 68.556 68.868 0.108 0.000 0.862 308 T HN 0.185 nan 8.240 nan 0.000 0.446 309 I N 0.513 121.131 120.570 0.081 0.000 2.179 309 I HA -0.144 4.021 4.170 -0.009 0.000 0.242 309 I C 2.346 178.349 176.117 -0.190 0.000 1.088 309 I CA 1.211 62.534 61.300 0.038 0.000 1.357 309 I CB -0.438 37.649 38.000 0.145 0.000 1.051 309 I HN 0.201 nan 8.210 nan 0.000 0.409 310 L N 0.370 121.458 121.223 -0.225 0.000 2.017 310 L HA -0.276 4.059 4.340 -0.009 0.000 0.208 310 L C 2.388 178.919 176.870 -0.564 0.000 1.073 310 L CA 1.931 56.452 54.840 -0.531 0.000 0.745 310 L CB -0.844 40.847 42.059 -0.613 0.000 0.894 310 L HN 0.400 nan 8.230 nan 0.000 0.432 311 N N -0.165 118.540 118.700 0.008 0.000 2.137 311 N HA -0.233 4.502 4.740 -0.009 0.000 0.190 311 N C 1.721 177.275 175.510 0.073 0.000 1.017 311 N CA 1.058 54.254 53.050 0.244 0.000 0.859 311 N CB 0.079 38.693 38.487 0.210 0.000 1.002 311 N HN 0.340 nan 8.380 nan 0.000 0.428 312 N N 0.802 119.408 118.700 -0.156 0.000 2.142 312 N HA -0.082 4.652 4.740 -0.009 0.000 0.186 312 N C 1.798 177.074 175.510 -0.389 0.000 1.023 312 N CA 0.897 53.746 53.050 -0.334 0.000 0.852 312 N CB -0.105 37.894 38.487 -0.812 0.000 0.998 312 N HN 0.371 nan 8.380 nan 0.000 0.424 313 I N 0.246 120.511 120.570 -0.509 0.000 2.394 313 I HA -0.232 3.933 4.170 -0.009 0.000 0.251 313 I C 1.733 177.788 176.117 -0.104 0.000 1.136 313 I CA 0.708 61.767 61.300 -0.402 0.000 1.425 313 I CB -0.286 37.358 38.000 -0.594 0.000 1.079 313 I HN 0.043 nan 8.210 nan 0.000 0.425 314 Y N 0.739 121.055 120.300 0.027 0.000 2.145 314 Y HA -0.178 4.367 4.550 -0.009 0.000 0.286 314 Y C 2.657 178.500 175.900 -0.094 0.000 1.145 314 Y CA 0.832 58.955 58.100 0.038 0.000 1.148 314 Y CB -1.350 37.196 38.460 0.144 0.000 0.981 314 Y HN -0.089 nan 8.280 nan 0.000 0.507 315 V N -0.146 119.873 119.914 0.175 0.000 2.332 315 V HA -0.288 3.827 4.120 -0.009 0.000 0.248 315 V C 2.368 178.390 176.094 -0.121 0.000 1.055 315 V CA 1.783 64.110 62.300 0.044 0.000 1.038 315 V CB -0.991 30.919 31.823 0.145 0.000 0.651 315 V HN 0.320 nan 8.190 nan 0.000 0.450 316 L N -0.624 120.610 121.223 0.018 0.000 2.056 316 L HA -0.148 4.186 4.340 -0.009 0.000 0.207 316 L C 2.339 179.219 176.870 0.018 0.000 1.078 316 L CA 2.031 56.902 54.840 0.051 0.000 0.749 316 L CB -0.899 41.234 42.059 0.124 0.000 0.901 316 L HN 0.485 nan 8.230 nan 0.000 0.433 317 Y N 0.076 120.336 120.300 -0.066 0.000 2.224 317 Y HA -0.181 4.364 4.550 -0.008 0.000 0.289 317 Y C 2.259 178.105 175.900 -0.090 0.000 1.146 317 Y CA 1.725 59.816 58.100 -0.015 0.000 1.182 317 Y CB -0.566 37.990 38.460 0.160 0.000 0.983 317 Y HN 0.219 nan 8.280 nan 0.000 0.524 318 A N 0.683 123.458 122.820 -0.074 0.000 1.855 318 A HA -0.110 4.205 4.320 -0.009 0.000 0.215 318 A C 2.318 179.723 177.584 -0.298 0.000 1.191 318 A CA 1.722 53.574 52.037 -0.309 0.000 0.613 318 A CB -1.153 17.334 19.000 -0.856 0.000 0.829 318 A HN 0.537 nan 8.150 nan 0.000 0.442 319 L N -0.945 120.105 121.223 -0.290 0.000 1.989 319 L HA -0.236 4.099 4.340 -0.009 0.000 0.211 319 L C 2.861 179.696 176.870 -0.058 0.000 1.071 319 L CA 1.816 56.535 54.840 -0.203 0.000 0.749 319 L CB -0.578 41.283 42.059 -0.330 0.000 0.890 319 L HN 0.356 nan 8.230 nan 0.000 0.431 320 R N -0.641 119.798 120.500 -0.103 0.000 2.152 320 R HA -0.117 4.218 4.340 -0.009 0.000 0.232 320 R C 2.350 178.588 176.300 -0.103 0.000 1.117 320 R CA 0.683 56.737 56.100 -0.077 0.000 0.981 320 R CB -0.258 29.991 30.300 -0.085 0.000 0.870 320 R HN 0.253 nan 8.270 nan 0.000 0.451 321 R N -0.464 119.939 120.500 -0.162 0.000 2.235 321 R HA -0.109 4.226 4.340 -0.009 0.000 0.213 321 R C 1.099 177.485 176.300 0.142 0.000 1.059 321 R CA 1.209 57.264 56.100 -0.076 0.000 0.997 321 R CB 0.058 30.282 30.300 -0.126 0.000 0.884 321 R HN 0.325 nan 8.270 nan 0.000 0.462 322 H N -2.005 116.960 119.070 -0.176 0.000 2.800 322 H HA 0.197 4.748 4.556 -0.009 0.000 0.257 322 H C -0.420 174.648 175.328 -0.434 0.000 0.967 322 H CA 0.332 56.174 56.048 -0.344 0.000 1.192 322 H CB 0.399 29.689 29.762 -0.788 0.000 1.441 322 H HN -0.088 nan 8.280 nan 0.000 0.461 323 Y N -0.106 120.073 120.300 -0.200 0.000 2.699 323 Y HA 0.615 5.160 4.550 -0.009 0.000 0.326 323 Y C 0.529 176.333 175.900 -0.160 0.000 1.141 323 Y CA -0.325 57.645 58.100 -0.217 0.000 1.246 323 Y CB 0.694 39.035 38.460 -0.199 0.000 1.426 323 Y HN 0.162 nan 8.280 nan 0.000 0.559 324 E N -1.032 119.197 120.200 0.048 0.000 2.312 324 E HA 0.513 4.858 4.350 -0.009 0.000 0.267 324 E C 0.380 176.971 176.600 -0.015 0.000 0.894 324 E CA -1.014 55.382 56.400 -0.007 0.000 0.773 324 E CB 1.211 30.895 29.700 -0.027 0.000 1.241 324 E HN 1.378 nan 8.360 nan 0.000 0.432 325 G N -0.144 108.645 108.800 -0.019 0.000 2.305 325 G HA2 -0.116 3.839 3.960 -0.009 0.000 0.287 325 G HA3 -0.116 3.839 3.960 -0.009 0.000 0.287 325 G C 0.276 175.153 174.900 -0.038 0.000 1.036 325 G CA 0.345 45.432 45.100 -0.022 0.000 0.887 325 G HN 1.352 nan 8.290 nan 0.000 0.505 326 V N 0.855 120.749 119.914 -0.034 0.000 2.348 326 V HA 0.446 4.561 4.120 -0.009 0.000 0.270 326 V C 0.286 176.397 176.094 0.028 0.000 1.037 326 V CA -0.758 61.518 62.300 -0.039 0.000 0.872 326 V CB 1.300 33.089 31.823 -0.056 0.000 1.002 326 V HN 0.360 nan 8.190 nan 0.000 0.464 327 E N 3.177 123.407 120.200 0.050 0.000 2.254 327 E HA 0.460 4.805 4.350 -0.009 0.000 0.258 327 E C 1.082 177.741 176.600 0.099 0.000 1.033 327 E CA -0.817 55.622 56.400 0.066 0.000 0.893 327 E CB 1.778 31.503 29.700 0.042 0.000 1.204 327 E HN 0.360 nan 8.360 nan 0.000 0.425 328 L N 0.776 122.020 121.223 0.035 0.000 1.989 328 L HA -0.224 4.111 4.340 -0.009 0.000 0.211 328 L C 1.639 178.359 176.870 -0.249 0.000 1.071 328 L CA 1.708 56.486 54.840 -0.104 0.000 0.749 328 L CB -0.439 41.581 42.059 -0.065 0.000 0.890 328 L HN 0.567 nan 8.230 nan 0.000 0.431 329 D N -1.697 118.651 120.400 -0.087 0.000 2.390 329 D HA -0.121 4.514 4.640 -0.009 0.000 0.235 329 D C 1.503 177.839 176.300 0.060 0.000 1.040 329 D CA 0.798 54.773 54.000 -0.042 0.000 0.923 329 D CB -0.317 40.488 40.800 0.008 0.000 0.886 329 D HN 0.280 nan 8.370 nan 0.000 0.532 330 T N -0.455 114.169 114.554 0.117 0.000 2.951 330 T HA -0.018 4.327 4.350 -0.009 0.000 0.268 330 T C 0.378 175.356 174.700 0.465 0.000 1.073 330 T CA 0.924 63.219 62.100 0.325 0.000 1.134 330 T CB -0.172 68.837 68.868 0.234 0.000 0.884 330 T HN 0.484 nan 8.240 nan 0.000 0.479 331 Y N -1.058 119.337 120.300 0.158 0.000 2.889 331 Y HA 0.759 5.304 4.550 -0.009 0.000 0.317 331 Y C -0.626 175.287 175.900 0.022 0.000 1.414 331 Y CA -1.761 56.418 58.100 0.131 0.000 1.091 331 Y CB 1.101 39.636 38.460 0.125 0.000 1.358 331 Y HN -0.230 nan 8.280 nan 0.000 0.487 332 T N 1.786 116.283 114.554 -0.096 0.000 3.041 332 T HA 0.709 5.054 4.350 -0.009 0.000 0.321 332 T C -1.273 173.335 174.700 -0.154 0.000 1.184 332 T CA -0.567 61.350 62.100 -0.306 0.000 1.050 332 T CB 0.681 69.182 68.868 -0.611 0.000 1.159 332 T HN 1.089 nan 8.240 nan 0.000 0.469 333 M N 3.979 123.548 119.600 -0.051 0.000 2.721 333 M HA 0.783 5.257 4.480 -0.009 0.000 0.271 333 M C -1.980 174.391 176.300 0.117 0.000 1.259 333 M CA -1.081 54.302 55.300 0.139 0.000 0.835 333 M CB 2.332 35.086 32.600 0.257 0.000 1.689 333 M HN 0.617 nan 8.290 nan 0.000 0.470 334 I N 1.716 122.345 120.570 0.099 0.000 2.722 334 I HA 0.751 4.916 4.170 -0.009 0.000 0.292 334 I C -1.637 174.427 176.117 -0.090 0.000 1.267 334 I CA -0.043 61.211 61.300 -0.078 0.000 1.036 334 I CB 2.322 40.120 38.000 -0.337 0.000 1.281 334 I HN 1.083 nan 8.210 nan 0.000 0.423 335 S N 5.114 120.875 115.700 0.102 0.000 2.556 335 S HA 0.503 4.968 4.470 -0.009 0.000 0.271 335 S C -1.477 173.386 174.600 0.439 0.000 1.135 335 S CA -0.629 57.763 58.200 0.319 0.000 0.858 335 S CB 1.660 65.001 63.200 0.236 0.000 1.114 335 S HN 0.677 nan 8.310 nan 0.000 0.468 336 Y N 1.524 122.053 120.300 0.383 0.000 2.705 336 Y HA 0.531 5.075 4.550 -0.009 0.000 0.355 336 Y C 0.856 176.859 175.900 0.172 0.000 1.039 336 Y CA 0.572 58.816 58.100 0.240 0.000 1.233 336 Y CB 0.100 38.642 38.460 0.137 0.000 1.103 336 Y HN 1.540 nan 8.280 nan 0.000 0.624 337 G N 3.388 112.383 108.800 0.325 0.000 2.552 337 G HA2 -0.369 3.586 3.960 -0.009 0.000 0.267 337 G HA3 -0.369 3.586 3.960 -0.009 0.000 0.267 337 G C 0.727 175.780 174.900 0.255 0.000 1.174 337 G CA 0.460 45.763 45.100 0.338 0.000 0.955 337 G HN 0.598 nan 8.290 nan 0.000 0.546 338 D N 1.163 121.676 120.400 0.190 0.000 2.249 338 D HA 0.051 4.686 4.640 -0.009 0.000 0.205 338 D C 0.596 176.921 176.300 0.041 0.000 0.962 338 D CA 0.715 54.619 54.000 -0.160 0.000 0.860 338 D CB -0.193 40.663 40.800 0.093 0.000 0.955 338 D HN 0.415 nan 8.370 nan 0.000 0.505 339 D N 0.779 121.277 120.400 0.163 0.000 2.443 339 D HA 0.273 4.907 4.640 -0.009 0.000 0.239 339 D C -0.164 176.358 176.300 0.369 0.000 1.136 339 D CA 0.156 54.294 54.000 0.229 0.000 0.879 339 D CB 1.168 42.049 40.800 0.135 0.000 1.195 339 D HN 0.183 nan 8.370 nan 0.000 0.443 340 I N 1.551 122.329 120.570 0.346 0.000 2.828 340 I HA 0.247 4.412 4.170 -0.009 0.000 0.295 340 I C -1.844 174.334 176.117 0.102 0.000 1.459 340 I CA -0.650 60.800 61.300 0.249 0.000 1.015 340 I CB 2.052 40.196 38.000 0.240 0.000 1.345 340 I HN 0.076 nan 8.210 nan 0.000 0.449 341 V N 6.877 126.756 119.914 -0.059 0.000 2.482 341 V HA 0.472 4.586 4.120 -0.009 0.000 0.295 341 V C -0.439 175.746 176.094 0.152 0.000 1.026 341 V CA -0.554 61.681 62.300 -0.108 0.000 0.856 341 V CB 1.587 33.053 31.823 -0.595 0.000 1.001 341 V HN 0.451 nan 8.190 nan 0.000 0.424 342 V N 3.219 123.262 119.914 0.214 0.000 2.732 342 V HA 0.983 5.098 4.120 -0.009 0.000 0.310 342 V C 0.295 176.571 176.094 0.303 0.000 1.053 342 V CA -0.322 62.164 62.300 0.311 0.000 0.957 342 V CB 1.847 33.874 31.823 0.339 0.000 1.018 342 V HN 1.068 nan 8.190 nan 0.000 0.452 343 A N 2.383 125.311 122.820 0.180 0.000 2.574 343 A HA 0.899 5.213 4.320 -0.009 0.000 0.297 343 A C -0.694 176.910 177.584 0.034 0.000 1.062 343 A CA -0.413 51.613 52.037 -0.019 0.000 0.686 343 A CB 2.142 20.858 19.000 -0.473 0.000 1.285 343 A HN 1.053 nan 8.150 nan 0.000 0.403 344 S N 0.310 116.143 115.700 0.223 0.000 2.583 344 S HA 0.304 4.769 4.470 -0.009 0.000 0.294 344 S C -0.392 174.398 174.600 0.316 0.000 1.121 344 S CA -0.294 58.140 58.200 0.390 0.000 0.910 344 S CB 0.932 64.442 63.200 0.517 0.000 1.102 344 S HN 0.632 nan 8.310 nan 0.000 0.451 345 D N 1.821 122.340 120.400 0.198 0.000 2.149 345 D HA -0.075 4.560 4.640 -0.009 0.000 0.198 345 D C 0.198 176.492 176.300 -0.010 0.000 0.990 345 D CA 1.562 55.547 54.000 -0.026 0.000 0.839 345 D CB -0.151 40.510 40.800 -0.232 0.000 0.948 345 D HN 0.568 nan 8.370 nan 0.000 0.460 346 Y N 1.792 122.175 120.300 0.139 0.000 2.610 346 Y HA -0.037 4.508 4.550 -0.009 0.000 0.332 346 Y C 1.003 177.025 175.900 0.203 0.000 1.201 346 Y CA 0.006 58.174 58.100 0.114 0.000 1.465 346 Y CB 0.333 38.820 38.460 0.045 0.000 1.283 346 Y HN -0.164 nan 8.280 nan 0.000 0.563 347 D N 5.008 125.614 120.400 0.345 0.000 2.688 347 D HA 0.100 4.734 4.640 -0.009 0.000 0.228 347 D C 0.166 176.708 176.300 0.404 0.000 1.116 347 D CA 0.160 54.377 54.000 0.363 0.000 1.023 347 D CB -0.168 40.780 40.800 0.246 0.000 1.100 347 D HN 0.411 nan 8.370 nan 0.000 0.487 348 L N 0.483 121.986 121.223 0.466 0.000 2.492 348 L HA -0.012 4.323 4.340 -0.009 0.000 0.280 348 L C 1.019 178.024 176.870 0.225 0.000 1.240 348 L CA 0.470 55.407 54.840 0.161 0.000 0.831 348 L CB 0.310 42.297 42.059 -0.121 0.000 1.100 348 L HN 0.044 nan 8.230 nan 0.000 0.505 349 D N 0.109 120.597 120.400 0.146 0.000 2.456 349 D HA 0.188 4.823 4.640 -0.009 0.000 0.287 349 D C 0.663 176.877 176.300 -0.143 0.000 1.186 349 D CA -0.395 53.667 54.000 0.104 0.000 0.916 349 D CB 0.334 41.225 40.800 0.152 0.000 1.029 349 D HN 0.239 nan 8.370 nan 0.000 0.498 350 F N 0.866 120.482 119.950 -0.557 0.000 2.192 350 F HA -0.118 4.403 4.527 -0.009 0.000 0.301 350 F C 2.271 177.662 175.800 -0.682 0.000 1.079 350 F CA 0.908 58.385 58.000 -0.872 0.000 1.303 350 F CB -0.171 37.886 39.000 -1.571 0.000 1.024 350 F HN 0.325 nan 8.300 nan 0.000 0.494 351 E N 0.424 120.583 120.200 -0.068 0.000 2.160 351 E HA -0.158 4.187 4.350 -0.009 0.000 0.195 351 E C 1.818 178.408 176.600 -0.017 0.000 0.991 351 E CA 1.225 57.711 56.400 0.144 0.000 0.810 351 E CB -0.311 29.531 29.700 0.236 0.000 0.742 351 E HN 0.231 nan 8.360 nan 0.000 0.466 352 A N -0.592 122.138 122.820 -0.151 0.000 2.379 352 A HA 0.234 4.549 4.320 -0.009 0.000 0.236 352 A C 1.433 178.755 177.584 -0.437 0.000 1.272 352 A CA -0.171 51.717 52.037 -0.248 0.000 0.886 352 A CB -0.052 18.764 19.000 -0.307 0.000 0.962 352 A HN 0.267 nan 8.150 nan 0.000 0.504 353 L N -1.519 119.479 121.223 -0.375 0.000 2.556 353 L HA 0.080 4.415 4.340 -0.009 0.000 0.226 353 L C 1.998 178.933 176.870 0.108 0.000 1.089 353 L CA 0.143 54.793 54.840 -0.317 0.000 0.864 353 L CB -0.149 41.630 42.059 -0.467 0.000 1.067 353 L HN 0.276 nan 8.230 nan 0.000 0.477 354 K N 1.138 121.537 120.400 -0.003 0.000 2.052 354 K HA -0.202 4.113 4.320 -0.009 0.000 0.215 354 K C -0.504 176.207 176.600 0.184 0.000 1.053 354 K CA 2.010 58.338 56.287 0.069 0.000 0.934 354 K CB -1.285 31.253 32.500 0.063 0.000 0.717 354 K HN 0.287 nan 8.250 nan 0.000 0.450 355 P HA -0.179 nan 4.420 nan 0.000 0.215 355 P C 0.821 178.171 177.300 0.083 0.000 1.153 355 P CA 1.752 64.900 63.100 0.080 0.000 0.853 355 P CB -0.117 31.577 31.700 -0.010 0.000 0.788 356 H N -1.270 117.836 119.070 0.060 0.000 2.387 356 H HA -0.043 4.508 4.556 -0.008 0.000 0.299 356 H C 1.853 177.243 175.328 0.104 0.000 1.090 356 H CA 1.323 57.401 56.048 0.049 0.000 1.332 356 H CB -1.280 28.454 29.762 -0.046 0.000 1.386 356 H HN 0.130 nan 8.280 nan 0.000 0.516 357 F N 0.678 120.712 119.950 0.139 0.000 2.259 357 F HA -0.054 4.467 4.527 -0.009 0.000 0.298 357 F C 2.319 178.118 175.800 -0.001 0.000 1.088 357 F CA 0.849 58.890 58.000 0.068 0.000 1.358 357 F CB 0.022 39.057 39.000 0.058 0.000 1.040 357 F HN -0.052 nan 8.300 nan 0.000 0.505 358 K N 0.602 121.122 120.400 0.200 0.000 2.283 358 K HA -0.086 4.229 4.320 -0.009 0.000 0.202 358 K C 2.063 178.675 176.600 0.020 0.000 1.048 358 K CA 1.226 57.563 56.287 0.084 0.000 0.948 358 K CB -0.610 31.930 32.500 0.067 0.000 0.742 358 K HN 0.324 nan 8.250 nan 0.000 0.458 359 S N -0.261 115.458 115.700 0.032 0.000 2.595 359 S HA -0.028 4.437 4.470 -0.009 0.000 0.235 359 S C 1.588 176.147 174.600 -0.067 0.000 0.974 359 S CA 0.485 58.690 58.200 0.008 0.000 0.942 359 S CB -0.168 63.078 63.200 0.076 0.000 0.766 359 S HN 0.266 nan 8.310 nan 0.000 0.536 360 L N -0.280 120.861 121.223 -0.135 0.000 2.817 360 L HA 0.452 4.786 4.340 -0.009 0.000 0.248 360 L C 1.772 178.507 176.870 -0.224 0.000 1.133 360 L CA 0.286 54.952 54.840 -0.290 0.000 0.935 360 L CB 0.193 41.943 42.059 -0.515 0.000 1.266 360 L HN 0.494 nan 8.230 nan 0.000 0.535 361 G N -0.536 108.188 108.800 -0.125 0.000 2.194 361 G HA2 -0.200 3.754 3.960 -0.009 0.000 0.236 361 G HA3 -0.200 3.754 3.960 -0.009 0.000 0.236 361 G C 0.247 175.106 174.900 -0.067 0.000 0.987 361 G CA -0.356 44.689 45.100 -0.092 0.000 0.635 361 G HN 0.238 nan 8.290 nan 0.000 0.520 362 Q N 0.860 120.625 119.800 -0.059 0.000 2.259 362 Q HA 0.575 4.909 4.340 -0.009 0.000 0.249 362 Q C -0.429 175.677 176.000 0.177 0.000 0.914 362 Q CA 0.295 56.141 55.803 0.072 0.000 0.904 362 Q CB 1.493 30.288 28.738 0.096 0.000 1.213 362 Q HN 0.225 nan 8.270 nan 0.000 0.428 363 T N 3.386 118.056 114.554 0.193 0.000 2.833 363 T HA 0.531 4.876 4.350 -0.009 0.000 0.297 363 T C 0.339 175.098 174.700 0.097 0.000 1.015 363 T CA -0.549 61.628 62.100 0.128 0.000 0.963 363 T CB 0.165 69.083 68.868 0.083 0.000 0.955 363 T HN 0.470 nan 8.240 nan 0.000 0.449 364 I N 1.454 122.010 120.570 -0.022 0.000 2.428 364 I HA 0.875 5.040 4.170 -0.009 0.000 0.296 364 I C 0.041 176.223 176.117 0.107 0.000 0.985 364 I CA -0.640 60.577 61.300 -0.140 0.000 1.260 364 I CB 1.772 39.448 38.000 -0.539 0.000 1.389 364 I HN 0.592 nan 8.210 nan 0.000 0.484 365 T N 1.844 116.450 114.554 0.087 0.000 2.883 365 T HA 0.570 4.915 4.350 -0.009 0.000 0.301 365 T C -3.012 171.448 174.700 -0.400 0.000 1.158 365 T CA -1.821 60.221 62.100 -0.097 0.000 1.007 365 T CB 1.835 70.637 68.868 -0.111 0.000 1.186 365 T HN 0.581 nan 8.240 nan 0.000 0.499 366 P HA 0.263 nan 4.420 nan 0.000 0.271 366 P C 0.893 178.001 177.300 -0.320 0.000 1.216 366 P CA -0.231 62.414 63.100 -0.758 0.000 0.771 366 P CB 0.869 32.112 31.700 -0.762 0.000 0.864 367 A N 3.288 125.984 122.820 -0.206 0.000 1.908 367 A HA -0.179 4.136 4.320 -0.009 0.000 0.218 367 A C 1.090 178.597 177.584 -0.128 0.000 1.181 367 A CA 1.538 53.495 52.037 -0.134 0.000 0.627 367 A CB -1.162 17.776 19.000 -0.104 0.000 0.818 367 A HN 0.589 nan 8.150 nan 0.000 0.445 368 D N -0.672 119.637 120.400 -0.151 0.000 2.393 368 D HA 0.475 5.109 4.640 -0.009 0.000 0.232 368 D C 1.304 177.542 176.300 -0.104 0.000 1.192 368 D CA 0.707 54.639 54.000 -0.114 0.000 0.882 368 D CB 0.851 41.576 40.800 -0.125 0.000 1.038 368 D HN 0.246 nan 8.370 nan 0.000 0.499 369 K N 2.851 123.203 120.400 -0.081 0.000 2.127 369 K HA -0.148 4.167 4.320 -0.009 0.000 0.208 369 K C 1.387 177.953 176.600 -0.056 0.000 1.047 369 K CA 1.701 57.944 56.287 -0.073 0.000 0.927 369 K CB -1.592 30.878 32.500 -0.050 0.000 0.716 369 K HN 0.727 nan 8.250 nan 0.000 0.450 370 S N 0.788 116.467 115.700 -0.036 0.000 2.673 370 S HA 0.385 4.850 4.470 -0.009 0.000 0.308 370 S C 0.844 175.434 174.600 -0.016 0.000 1.246 370 S CA 1.153 59.344 58.200 -0.015 0.000 1.077 370 S CB -1.687 61.515 63.200 0.004 0.000 0.814 370 S HN 1.890 nan 8.310 nan 0.000 0.503 371 D N -0.121 120.273 120.400 -0.011 0.000 2.812 371 D HA 0.282 4.917 4.640 -0.009 0.000 0.237 371 D C 0.394 176.676 176.300 -0.031 0.000 1.162 371 D CA 1.537 55.532 54.000 -0.007 0.000 0.740 371 D CB -2.483 38.325 40.800 0.013 0.000 1.000 371 D HN 1.940 nan 8.370 nan 0.000 0.416 372 K N 0.106 120.474 120.400 -0.053 0.000 2.178 372 K HA 0.500 4.815 4.320 -0.009 0.000 0.256 372 K C 1.042 177.587 176.600 -0.091 0.000 1.258 372 K CA 0.936 57.163 56.287 -0.099 0.000 1.273 372 K CB -0.527 31.927 32.500 -0.077 0.000 0.834 372 K HN 2.274 nan 8.250 nan 0.000 0.447 373 G N 2.012 110.730 108.800 -0.137 0.000 1.984 373 G HA2 0.419 4.374 3.960 -0.009 0.000 0.313 373 G HA3 0.419 4.374 3.960 -0.009 0.000 0.313 373 G C -0.683 174.228 174.900 0.018 0.000 1.632 373 G CA -1.068 44.012 45.100 -0.034 0.000 0.963 373 G HN 0.481 nan 8.290 nan 0.000 0.595 374 F N 2.132 122.149 119.950 0.111 0.000 2.514 374 F HA 0.258 4.780 4.527 -0.009 0.000 0.399 374 F C 1.667 177.634 175.800 0.278 0.000 1.011 374 F CA 0.355 58.480 58.000 0.208 0.000 1.109 374 F CB -0.046 39.050 39.000 0.160 0.000 0.980 374 F HN 0.451 nan 8.300 nan 0.000 0.538 375 V N 2.116 122.261 119.914 0.386 0.000 3.653 375 V HA 0.729 4.843 4.120 -0.009 0.000 0.281 375 V C -0.133 176.090 176.094 0.215 0.000 1.132 375 V CA -0.911 61.529 62.300 0.232 0.000 0.915 375 V CB 1.182 33.033 31.823 0.046 0.000 1.241 375 V HN 0.448 nan 8.190 nan 0.000 0.441 376 L N -1.028 120.180 121.223 -0.026 0.000 2.303 376 L HA 0.919 5.254 4.340 -0.009 0.000 0.256 376 L C 1.053 177.735 176.870 -0.312 0.000 1.034 376 L CA 0.423 55.172 54.840 -0.153 0.000 0.832 376 L CB 1.193 43.255 42.059 0.005 0.000 1.403 376 L HN 1.157 nan 8.230 nan 0.000 0.419 377 G N -1.598 107.021 108.800 -0.303 0.000 2.299 377 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.237 377 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.237 377 G C 0.411 175.182 174.900 -0.216 0.000 1.027 377 G CA -0.002 44.955 45.100 -0.239 0.000 0.619 377 G HN 0.643 nan 8.290 nan 0.000 0.513 378 H N 2.203 121.153 119.070 -0.199 0.000 3.115 378 H HA 0.362 4.913 4.556 -0.009 0.000 0.324 378 H C 1.273 176.505 175.328 -0.160 0.000 1.007 378 H CA 1.138 57.089 56.048 -0.163 0.000 1.385 378 H CB 0.751 30.400 29.762 -0.188 0.000 1.351 378 H HN 0.722 nan 8.280 nan 0.000 0.592 379 S N 1.897 117.634 115.700 0.062 0.000 2.745 379 S HA 0.193 4.658 4.470 -0.009 0.000 0.292 379 S C 1.335 175.938 174.600 0.005 0.000 1.133 379 S CA -0.888 57.324 58.200 0.019 0.000 0.998 379 S CB 1.331 64.561 63.200 0.050 0.000 1.087 379 S HN 0.479 nan 8.310 nan 0.000 0.551 380 I N 1.343 121.895 120.570 -0.029 0.000 2.700 380 I HA -0.072 4.093 4.170 -0.009 0.000 0.261 380 I C 2.086 178.225 176.117 0.036 0.000 1.219 380 I CA 1.667 62.885 61.300 -0.137 0.000 1.463 380 I CB -0.756 37.025 38.000 -0.365 0.000 1.092 380 I HN 0.942 nan 8.210 nan 0.000 0.452 381 T N -3.622 111.020 114.554 0.147 0.000 3.317 381 T HA 0.087 4.432 4.350 -0.009 0.000 0.250 381 T C 0.942 175.795 174.700 0.255 0.000 1.106 381 T CA 0.440 62.712 62.100 0.288 0.000 0.986 381 T CB -0.379 68.648 68.868 0.265 0.000 1.010 381 T HN 0.343 nan 8.240 nan 0.000 0.560 382 D N 0.781 121.271 120.400 0.150 0.000 2.403 382 D HA 0.136 4.771 4.640 -0.009 0.000 0.280 382 D C 1.088 177.382 176.300 -0.011 0.000 1.091 382 D CA 0.205 54.253 54.000 0.080 0.000 0.884 382 D CB 0.627 41.427 40.800 -0.000 0.000 1.427 382 D HN 0.501 nan 8.370 nan 0.000 0.504 383 V N 0.729 120.631 119.914 -0.021 0.000 3.185 383 V HA 0.485 4.600 4.120 -0.009 0.000 0.305 383 V C 0.109 176.164 176.094 -0.064 0.000 1.090 383 V CA 0.053 62.319 62.300 -0.056 0.000 1.107 383 V CB 1.094 32.889 31.823 -0.047 0.000 1.061 383 V HN -0.081 nan 8.190 nan 0.000 0.480 384 T N 4.398 118.894 114.554 -0.096 0.000 2.864 384 T HA 0.507 4.851 4.350 -0.009 0.000 0.299 384 T C -1.055 173.691 174.700 0.076 0.000 1.011 384 T CA 0.111 62.112 62.100 -0.164 0.000 0.975 384 T CB 0.584 69.267 68.868 -0.308 0.000 0.962 384 T HN 0.665 nan 8.240 nan 0.000 0.448 385 F N 4.787 124.727 119.950 -0.016 0.000 2.444 385 F HA 0.540 5.062 4.527 -0.009 0.000 0.342 385 F C 0.506 176.413 175.800 0.177 0.000 1.121 385 F CA -1.663 56.386 58.000 0.082 0.000 0.997 385 F CB 0.523 39.581 39.000 0.098 0.000 1.130 385 F HN 0.549 nan 8.300 nan 0.000 0.454 386 L N 6.540 127.474 121.223 -0.481 0.000 3.597 386 L HA -0.343 3.991 4.340 -0.009 0.000 0.440 386 L C 0.661 177.369 176.870 -0.270 0.000 1.277 386 L CA 0.336 54.888 54.840 -0.479 0.000 0.852 386 L CB -1.198 40.507 42.059 -0.590 0.000 1.708 386 L HN 0.773 nan 8.230 nan 0.000 0.885 387 K N -1.284 119.013 120.400 -0.171 0.000 3.130 387 K HA -0.159 4.156 4.320 -0.009 0.000 0.282 387 K C 0.235 176.766 176.600 -0.114 0.000 1.145 387 K CA 1.446 57.657 56.287 -0.125 0.000 0.831 387 K CB -0.758 31.656 32.500 -0.144 0.000 1.226 387 K HN 0.687 nan 8.250 nan 0.000 0.478 388 R N -0.183 120.258 120.500 -0.099 0.000 2.673 388 R HA 0.404 4.739 4.340 -0.009 0.000 0.281 388 R C -0.417 175.879 176.300 -0.007 0.000 0.991 388 R CA -0.923 55.121 56.100 -0.094 0.000 0.896 388 R CB 1.323 31.367 30.300 -0.427 0.000 1.201 388 R HN 0.057 nan 8.270 nan 0.000 0.457 389 H N 0.482 119.458 119.070 -0.157 0.000 2.499 389 H HA 0.329 4.880 4.556 -0.009 0.000 0.352 389 H C -0.698 174.569 175.328 -0.101 0.000 1.237 389 H CA -0.087 55.865 56.048 -0.160 0.000 1.343 389 H CB 0.632 30.156 29.762 -0.396 0.000 1.578 389 H HN 0.336 nan 8.280 nan 0.000 0.577 390 F N 1.370 121.487 119.950 0.279 0.000 2.291 390 F HA 0.266 4.788 4.527 -0.009 0.000 0.368 390 F C 0.187 176.330 175.800 0.572 0.000 1.085 390 F CA -0.202 57.981 58.000 0.305 0.000 1.165 390 F CB 0.068 39.035 39.000 -0.055 0.000 1.429 390 F HN 0.434 nan 8.300 nan 0.000 0.503 391 H N 1.631 121.020 119.070 0.531 0.000 2.670 391 H HA 0.510 5.061 4.556 -0.009 0.000 0.361 391 H C -0.629 174.923 175.328 0.374 0.000 1.169 391 H CA -1.470 54.804 56.048 0.377 0.000 1.198 391 H CB 2.339 32.215 29.762 0.189 0.000 1.700 391 H HN 0.349 nan 8.280 nan 0.000 0.542 392 M N 1.836 121.626 119.600 0.316 0.000 2.264 392 M HA 0.105 4.580 4.480 -0.009 0.000 0.352 392 M C -0.889 175.530 176.300 0.200 0.000 1.173 392 M CA -0.400 54.999 55.300 0.166 0.000 1.075 392 M CB 0.841 33.480 32.600 0.066 0.000 1.621 392 M HN 0.501 nan 8.290 nan 0.000 0.457 393 D N 2.689 123.268 120.400 0.298 0.000 2.411 393 D HA 0.096 4.731 4.640 -0.009 0.000 0.225 393 D C 0.353 176.892 176.300 0.398 0.000 1.156 393 D CA 0.345 54.556 54.000 0.351 0.000 0.874 393 D CB 0.025 41.181 40.800 0.593 0.000 1.034 393 D HN 0.681 nan 8.370 nan 0.000 0.502 394 Y N 2.230 122.629 120.300 0.165 0.000 2.348 394 Y HA -0.231 4.314 4.550 -0.009 0.000 0.285 394 Y C 2.278 178.261 175.900 0.138 0.000 1.173 394 Y CA 0.315 58.482 58.100 0.110 0.000 1.263 394 Y CB 0.257 38.762 38.460 0.075 0.000 0.974 394 Y HN 0.570 nan 8.280 nan 0.000 0.547 395 G N -0.835 108.202 108.800 0.396 0.000 2.430 395 G HA2 -0.167 3.788 3.960 -0.009 0.000 0.216 395 G HA3 -0.167 3.788 3.960 -0.009 0.000 0.216 395 G C 1.205 176.298 174.900 0.321 0.000 1.146 395 G CA 1.432 46.756 45.100 0.373 0.000 0.793 395 G HN 0.419 nan 8.290 nan 0.000 0.537 396 T N -4.641 110.115 114.554 0.336 0.000 3.403 396 T HA 0.411 4.756 4.350 -0.009 0.000 0.308 396 T C 1.447 176.115 174.700 -0.053 0.000 0.952 396 T CA 0.798 63.019 62.100 0.202 0.000 0.970 396 T CB 0.195 69.318 68.868 0.425 0.000 1.189 396 T HN 1.240 nan 8.240 nan 0.000 0.528 397 G N 1.345 110.168 108.800 0.039 0.000 2.296 397 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.282 397 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.282 397 G C -0.209 174.574 174.900 -0.195 0.000 1.014 397 G CA 0.242 45.289 45.100 -0.088 0.000 0.812 397 G HN 0.565 nan 8.290 nan 0.000 0.508 398 F N -1.334 118.696 119.950 0.135 0.000 2.440 398 F HA 0.686 5.208 4.527 -0.009 0.000 0.328 398 F C 0.536 176.485 175.800 0.249 0.000 1.070 398 F CA -1.696 56.400 58.000 0.159 0.000 1.011 398 F CB 0.886 39.986 39.000 0.167 0.000 1.226 398 F HN 0.032 nan 8.300 nan 0.000 0.491 399 Y N 1.844 122.511 120.300 0.611 0.000 2.316 399 Y HA 0.357 4.902 4.550 -0.008 0.000 0.331 399 Y C 0.088 176.349 175.900 0.601 0.000 1.083 399 Y CA -0.559 57.867 58.100 0.544 0.000 1.206 399 Y CB 0.718 39.473 38.460 0.490 0.000 1.195 399 Y HN 0.347 nan 8.280 nan 0.000 0.497 400 K N 4.414 125.194 120.400 0.633 0.000 2.422 400 K HA 0.556 4.871 4.320 -0.009 0.000 0.251 400 K C -3.385 173.132 176.600 -0.138 0.000 0.933 400 K CA -2.314 54.071 56.287 0.163 0.000 0.798 400 K CB 2.525 34.876 32.500 -0.249 0.000 1.238 400 K HN 0.184 nan 8.250 nan 0.000 0.428 401 P HA 0.023 nan 4.420 nan 0.000 0.270 401 P C -0.588 176.318 177.300 -0.656 0.000 1.242 401 P CA -0.291 62.142 63.100 -1.111 0.000 0.768 401 P CB 0.835 31.621 31.700 -1.522 0.000 0.820 402 V N 5.918 125.617 119.914 -0.359 0.000 2.409 402 V HA 0.366 4.481 4.120 -0.009 0.000 0.291 402 V C 0.608 176.596 176.094 -0.175 0.000 1.020 402 V CA -0.517 61.645 62.300 -0.229 0.000 0.848 402 V CB 1.536 33.190 31.823 -0.282 0.000 0.990 402 V HN 0.507 nan 8.190 nan 0.000 0.430 403 M N 3.403 122.923 119.600 -0.134 0.000 2.367 403 M HA 0.646 5.120 4.480 -0.009 0.000 0.339 403 M C 0.490 176.714 176.300 -0.126 0.000 1.177 403 M CA -0.440 54.798 55.300 -0.104 0.000 1.068 403 M CB 1.727 34.256 32.600 -0.119 0.000 1.602 403 M HN 0.721 nan 8.290 nan 0.000 0.457 404 A N 1.758 124.513 122.820 -0.107 0.000 2.511 404 A HA 0.153 4.467 4.320 -0.009 0.000 0.242 404 A C 1.031 178.536 177.584 -0.132 0.000 1.069 404 A CA -0.136 51.826 52.037 -0.126 0.000 0.763 404 A CB 0.093 19.062 19.000 -0.052 0.000 1.001 404 A HN 0.983 nan 8.150 nan 0.000 0.498 405 S N 1.692 117.312 115.700 -0.133 0.000 2.383 405 S HA -0.143 4.322 4.470 -0.009 0.000 0.229 405 S C 1.950 176.416 174.600 -0.222 0.000 1.030 405 S CA 1.501 59.599 58.200 -0.169 0.000 1.002 405 S CB -0.160 62.956 63.200 -0.141 0.000 0.829 405 S HN 0.724 nan 8.310 nan 0.000 0.467 406 K N 1.092 121.401 120.400 -0.152 0.000 2.097 406 K HA -0.002 4.313 4.320 -0.009 0.000 0.206 406 K C 2.216 178.660 176.600 -0.261 0.000 1.049 406 K CA 1.222 57.430 56.287 -0.133 0.000 0.933 406 K CB -1.076 31.442 32.500 0.029 0.000 0.717 406 K HN 0.365 nan 8.250 nan 0.000 0.442 407 T N 2.077 116.487 114.554 -0.241 0.000 2.821 407 T HA -0.020 4.325 4.350 -0.009 0.000 0.267 407 T C 2.006 176.491 174.700 -0.359 0.000 1.046 407 T CA 0.804 62.702 62.100 -0.337 0.000 1.139 407 T CB -0.069 68.683 68.868 -0.194 0.000 0.871 407 T HN 0.099 nan 8.240 nan 0.000 0.454 408 L N 0.566 121.606 121.223 -0.304 0.000 2.109 408 L HA 0.001 4.336 4.340 -0.009 0.000 0.207 408 L C 2.622 179.246 176.870 -0.409 0.000 1.086 408 L CA 1.210 55.861 54.840 -0.315 0.000 0.760 408 L CB -0.508 41.385 42.059 -0.277 0.000 0.910 408 L HN 0.271 nan 8.230 nan 0.000 0.437 409 E N 0.207 120.108 120.200 -0.498 0.000 2.268 409 E HA -0.162 4.183 4.350 -0.009 0.000 0.195 409 E C 2.225 178.597 176.600 -0.380 0.000 0.995 409 E CA 0.912 56.925 56.400 -0.645 0.000 0.836 409 E CB -0.010 29.236 29.700 -0.756 0.000 0.763 409 E HN 0.496 nan 8.360 nan 0.000 0.491 410 A N 0.749 123.319 122.820 -0.416 0.000 1.930 410 A HA -0.067 4.248 4.320 -0.009 0.000 0.215 410 A C 2.064 179.580 177.584 -0.113 0.000 1.176 410 A CA 0.594 52.416 52.037 -0.357 0.000 0.632 410 A CB -0.251 18.127 19.000 -1.036 0.000 0.819 410 A HN 0.095 nan 8.150 nan 0.000 0.445 411 I N -0.166 120.287 120.570 -0.195 0.000 2.163 411 I HA -0.202 3.963 4.170 -0.009 0.000 0.240 411 I C 1.927 178.009 176.117 -0.059 0.000 1.081 411 I CA 1.100 62.336 61.300 -0.106 0.000 1.353 411 I CB -0.349 37.555 38.000 -0.159 0.000 1.054 411 I HN 0.206 nan 8.210 nan 0.000 0.407 412 L N -0.025 121.115 121.223 -0.138 0.000 2.622 412 L HA -0.059 4.276 4.340 -0.009 0.000 0.233 412 L C 2.075 178.993 176.870 0.079 0.000 1.156 412 L CA 0.441 55.230 54.840 -0.085 0.000 0.866 412 L CB -0.413 41.500 42.059 -0.244 0.000 0.980 412 L HN 0.149 nan 8.230 nan 0.000 0.448 413 S N -1.063 114.632 115.700 -0.009 0.000 2.524 413 S HA 0.228 4.692 4.470 -0.009 0.000 0.216 413 S C 0.155 174.466 174.600 -0.481 0.000 0.987 413 S CA 0.189 58.275 58.200 -0.189 0.000 0.909 413 S CB 0.175 63.184 63.200 -0.319 0.000 0.781 413 S HN 0.125 nan 8.310 nan 0.000 0.521 414 F N 0.223 120.222 119.950 0.082 0.000 2.613 414 F HA 0.783 5.306 4.527 -0.008 0.000 0.314 414 F C -0.102 175.723 175.800 0.043 0.000 1.075 414 F CA -0.950 57.097 58.000 0.078 0.000 0.945 414 F CB 1.824 40.865 39.000 0.069 0.000 1.310 414 F HN -0.072 nan 8.300 nan 0.000 0.467 415 A N 1.284 124.249 122.820 0.242 0.000 2.569 415 A HA 0.640 4.955 4.320 -0.009 0.000 0.292 415 A C -1.135 176.515 177.584 0.109 0.000 1.032 415 A CA -1.222 50.892 52.037 0.128 0.000 0.669 415 A CB 1.297 20.341 19.000 0.074 0.000 1.290 415 A HN 0.868 nan 8.150 nan 0.000 0.422 416 R N 0.028 120.570 120.500 0.070 0.000 2.652 416 R HA 0.732 5.067 4.340 -0.009 0.000 0.272 416 R C 0.534 176.868 176.300 0.056 0.000 1.162 416 R CA 0.001 56.137 56.100 0.060 0.000 1.199 416 R CB 0.121 30.446 30.300 0.041 0.000 1.166 416 R HN 1.227 nan 8.270 nan 0.000 0.597 417 R N 0.760 121.290 120.500 0.051 0.000 2.446 417 R HA 0.259 4.594 4.340 -0.009 0.000 0.314 417 R C 1.053 177.381 176.300 0.047 0.000 1.003 417 R CA 0.375 56.505 56.100 0.051 0.000 1.018 417 R CB -1.621 28.706 30.300 0.044 0.000 0.945 417 R HN 1.163 nan 8.270 nan 0.000 0.419 418 G N 2.001 110.836 108.800 0.058 0.000 2.381 418 G HA2 -0.119 3.835 3.960 -0.009 0.000 0.281 418 G HA3 -0.119 3.835 3.960 -0.009 0.000 0.281 418 G C 0.599 175.519 174.900 0.034 0.000 0.984 418 G CA 1.258 46.394 45.100 0.060 0.000 1.339 418 G HN 2.146 nan 8.290 nan 0.000 0.485 419 T N -2.947 111.615 114.554 0.013 0.000 3.333 419 T HA 0.229 4.574 4.350 -0.009 0.000 0.289 419 T C 2.101 176.752 174.700 -0.083 0.000 0.866 419 T CA 0.601 62.689 62.100 -0.021 0.000 0.872 419 T CB -0.303 68.560 68.868 -0.009 0.000 1.227 419 T HN 0.358 nan 8.240 nan 0.000 0.676 420 I N 1.758 122.255 120.570 -0.122 0.000 2.068 420 I HA -0.280 3.885 4.170 -0.009 0.000 0.238 420 I C 2.814 178.641 176.117 -0.482 0.000 1.046 420 I CA 2.214 63.336 61.300 -0.296 0.000 1.306 420 I CB -0.507 37.246 38.000 -0.411 0.000 1.023 420 I HN 0.274 nan 8.210 nan 0.000 0.399 421 Q N 1.333 120.779 119.800 -0.590 0.000 2.062 421 Q HA -0.308 4.027 4.340 -0.009 0.000 0.209 421 Q C 2.039 177.930 176.000 -0.182 0.000 0.996 421 Q CA 2.460 58.034 55.803 -0.382 0.000 0.859 421 Q CB -0.428 28.296 28.738 -0.023 0.000 0.920 421 Q HN 0.507 nan 8.270 nan 0.000 0.415 422 E N -0.291 119.842 120.200 -0.112 0.000 2.058 422 E HA -0.271 4.074 4.350 -0.009 0.000 0.194 422 E C 1.962 178.510 176.600 -0.087 0.000 0.997 422 E CA 1.500 57.857 56.400 -0.072 0.000 0.801 422 E CB -0.204 29.469 29.700 -0.044 0.000 0.746 422 E HN 0.389 nan 8.360 nan 0.000 0.450 423 K N 0.433 120.768 120.400 -0.108 0.000 2.057 423 K HA -0.152 4.163 4.320 -0.009 0.000 0.207 423 K C 2.312 178.847 176.600 -0.107 0.000 1.049 423 K CA 1.203 57.431 56.287 -0.099 0.000 0.931 423 K CB -0.141 32.300 32.500 -0.098 0.000 0.714 423 K HN 0.177 nan 8.250 nan 0.000 0.440 424 L N 1.010 122.131 121.223 -0.169 0.000 2.042 424 L HA -0.236 4.099 4.340 -0.009 0.000 0.210 424 L C 2.383 179.223 176.870 -0.050 0.000 1.076 424 L CA 0.759 55.521 54.840 -0.128 0.000 0.749 424 L CB -0.495 41.408 42.059 -0.259 0.000 0.893 424 L HN 0.264 nan 8.230 nan 0.000 0.432 425 I N -0.702 119.820 120.570 -0.081 0.000 2.142 425 I HA -0.282 3.883 4.170 -0.009 0.000 0.240 425 I C 2.803 178.892 176.117 -0.047 0.000 1.078 425 I CA 1.560 62.819 61.300 -0.067 0.000 1.343 425 I CB -1.326 36.641 38.000 -0.055 0.000 1.046 425 I HN 0.244 nan 8.210 nan 0.000 0.405 426 S N 0.849 116.524 115.700 -0.043 0.000 2.344 426 S HA -0.121 4.344 4.470 -0.009 0.000 0.217 426 S C 2.177 176.765 174.600 -0.020 0.000 1.033 426 S CA 1.713 59.890 58.200 -0.038 0.000 1.017 426 S CB -0.399 62.774 63.200 -0.045 0.000 0.941 426 S HN 0.207 nan 8.310 nan 0.000 0.430 427 V N 2.621 122.533 119.914 -0.004 0.000 2.568 427 V HA -0.163 3.952 4.120 -0.009 0.000 0.253 427 V C 2.774 178.961 176.094 0.155 0.000 1.072 427 V CA 1.605 63.924 62.300 0.032 0.000 1.084 427 V CB -1.531 30.288 31.823 -0.007 0.000 0.676 427 V HN 0.618 nan 8.190 nan 0.000 0.469 428 A N 0.897 123.809 122.820 0.153 0.000 1.908 428 A HA -0.142 4.173 4.320 -0.009 0.000 0.218 428 A C 2.418 180.067 177.584 0.109 0.000 1.181 428 A CA 1.982 54.087 52.037 0.115 0.000 0.627 428 A CB -1.169 17.749 19.000 -0.136 0.000 0.818 428 A HN 0.547 nan 8.150 nan 0.000 0.445 429 G N -0.715 108.078 108.800 -0.012 0.000 2.509 429 G HA2 -0.022 3.932 3.960 -0.009 0.000 0.218 429 G HA3 -0.022 3.932 3.960 -0.009 0.000 0.218 429 G C 1.418 176.234 174.900 -0.139 0.000 1.124 429 G CA 0.891 45.928 45.100 -0.105 0.000 0.776 429 G HN 0.457 nan 8.290 nan 0.000 0.547 430 L N -0.009 121.190 121.223 -0.040 0.000 2.209 430 L HA 0.181 4.516 4.340 -0.009 0.000 0.207 430 L C 2.978 179.848 176.870 0.000 0.000 1.094 430 L CA 0.794 55.614 54.840 -0.033 0.000 0.790 430 L CB -0.072 41.964 42.059 -0.038 0.000 0.932 430 L HN 0.246 nan 8.230 nan 0.000 0.447 431 A N -0.795 122.095 122.820 0.115 0.000 2.251 431 A HA 0.009 4.323 4.320 -0.009 0.000 0.209 431 A C 2.153 179.863 177.584 0.211 0.000 1.187 431 A CA 0.358 52.533 52.037 0.231 0.000 0.823 431 A CB -0.286 18.994 19.000 0.466 0.000 0.846 431 A HN 0.157 nan 8.150 nan 0.000 0.486 432 V N -0.207 119.635 119.914 -0.121 0.000 2.720 432 V HA -0.239 3.876 4.120 -0.009 0.000 0.256 432 V C 1.888 177.820 176.094 -0.271 0.000 1.082 432 V CA 2.380 64.454 62.300 -0.377 0.000 1.101 432 V CB -0.905 30.525 31.823 -0.655 0.000 0.693 432 V HN 0.808 nan 8.190 nan 0.000 0.479 433 H N -1.028 117.960 119.070 -0.136 0.000 2.551 433 H HA 0.143 4.694 4.556 -0.009 0.000 0.266 433 H C 2.175 177.463 175.328 -0.067 0.000 0.977 433 H CA 0.785 56.724 56.048 -0.182 0.000 1.163 433 H CB 0.169 29.760 29.762 -0.286 0.000 1.381 433 H HN 0.413 nan 8.280 nan 0.000 0.581 434 S N 0.128 115.870 115.700 0.068 0.000 2.603 434 S HA 0.208 4.673 4.470 -0.009 0.000 0.220 434 S C 1.001 175.608 174.600 0.012 0.000 0.967 434 S CA 0.406 58.633 58.200 0.044 0.000 0.920 434 S CB 0.118 63.352 63.200 0.056 0.000 0.773 434 S HN 0.782 nan 8.310 nan 0.000 0.529 435 G N 1.523 110.325 108.800 0.003 0.000 2.699 435 G HA2 -0.108 3.847 3.960 -0.009 0.000 0.686 435 G HA3 -0.108 3.847 3.960 -0.009 0.000 0.686 435 G C -2.584 172.061 174.900 -0.426 0.000 1.301 435 G CA -0.769 44.244 45.100 -0.146 0.000 0.816 435 G HN 0.062 nan 8.290 nan 0.000 0.595 436 P HA -0.063 nan 4.420 nan 0.000 0.215 436 P C 1.443 178.550 177.300 -0.321 0.000 1.157 436 P CA 1.814 64.326 63.100 -0.981 0.000 0.868 436 P CB 0.053 31.299 31.700 -0.757 0.000 0.788 437 D N -0.188 120.092 120.400 -0.200 0.000 2.106 437 D HA -0.205 4.430 4.640 -0.009 0.000 0.194 437 D C 1.903 178.196 176.300 -0.012 0.000 0.988 437 D CA 1.302 55.255 54.000 -0.077 0.000 0.845 437 D CB -0.954 39.808 40.800 -0.062 0.000 0.990 437 D HN 0.120 nan 8.370 nan 0.000 0.448 438 E N -0.092 120.104 120.200 -0.007 0.000 2.147 438 E HA -0.229 4.116 4.350 -0.009 0.000 0.199 438 E C 2.010 178.672 176.600 0.103 0.000 1.005 438 E CA 0.884 57.301 56.400 0.029 0.000 0.810 438 E CB -0.456 29.251 29.700 0.010 0.000 0.736 438 E HN 0.371 nan 8.360 nan 0.000 0.460 439 Y N 0.701 120.999 120.300 -0.003 0.000 2.089 439 Y HA -0.172 4.373 4.550 -0.009 0.000 0.282 439 Y C 2.455 178.480 175.900 0.209 0.000 1.139 439 Y CA 2.347 60.516 58.100 0.115 0.000 1.123 439 Y CB -0.353 38.125 38.460 0.029 0.000 0.980 439 Y HN -0.050 nan 8.280 nan 0.000 0.493 440 R N 0.215 120.800 120.500 0.141 0.000 2.127 440 R HA -0.205 4.130 4.340 -0.009 0.000 0.238 440 R C 2.530 178.890 176.300 0.100 0.000 1.134 440 R CA 1.647 57.796 56.100 0.082 0.000 0.975 440 R CB -0.270 30.075 30.300 0.074 0.000 0.865 440 R HN 0.346 nan 8.270 nan 0.000 0.447 441 R N 0.212 120.771 120.500 0.098 0.000 2.119 441 R HA -0.013 4.322 4.340 -0.009 0.000 0.222 441 R C 2.140 178.544 176.300 0.172 0.000 1.088 441 R CA 0.798 56.970 56.100 0.119 0.000 0.984 441 R CB -0.056 30.301 30.300 0.095 0.000 0.884 441 R HN 0.250 nan 8.270 nan 0.000 0.447 442 L N -0.271 121.000 121.223 0.080 0.000 2.201 442 L HA -0.076 4.259 4.340 -0.009 0.000 0.212 442 L C 0.874 177.586 176.870 -0.262 0.000 1.105 442 L CA 1.015 55.776 54.840 -0.132 0.000 0.775 442 L CB -0.001 41.832 42.059 -0.376 0.000 0.913 442 L HN 0.166 nan 8.230 nan 0.000 0.440 443 F N -1.747 118.194 119.950 -0.014 0.000 2.683 443 F HA 0.141 4.663 4.527 -0.008 0.000 0.306 443 F C 1.905 177.850 175.800 0.241 0.000 1.102 443 F CA -0.338 57.697 58.000 0.058 0.000 1.244 443 F CB -0.051 38.788 39.000 -0.267 0.000 1.029 443 F HN -0.126 nan 8.300 nan 0.000 0.545 444 E N 2.200 122.579 120.200 0.297 0.000 2.097 444 E HA -0.154 4.191 4.350 -0.009 0.000 0.196 444 E C -0.815 175.874 176.600 0.147 0.000 1.000 444 E CA 1.688 58.196 56.400 0.180 0.000 0.804 444 E CB -1.092 28.666 29.700 0.096 0.000 0.740 444 E HN 0.150 nan 8.360 nan 0.000 0.454 445 P HA -0.050 nan 4.420 nan 0.000 0.239 445 P C -0.031 177.133 177.300 -0.228 0.000 1.184 445 P CA 0.870 63.875 63.100 -0.158 0.000 0.760 445 P CB -0.004 31.467 31.700 -0.381 0.000 0.884 446 F N -2.163 117.850 119.950 0.105 0.000 2.678 446 F HA 0.173 4.695 4.527 -0.009 0.000 0.305 446 F C 1.136 177.024 175.800 0.147 0.000 1.090 446 F CA -0.321 57.800 58.000 0.203 0.000 1.272 446 F CB -0.475 38.719 39.000 0.322 0.000 1.060 446 F HN -0.257 nan 8.300 nan 0.000 0.576 447 Q N 0.870 120.816 119.800 0.244 0.000 2.286 447 Q HA 0.231 4.566 4.340 -0.009 0.000 0.290 447 Q C 1.534 177.574 176.000 0.067 0.000 1.049 447 Q CA 1.117 57.005 55.803 0.142 0.000 0.923 447 Q CB 0.304 29.099 28.738 0.094 0.000 1.183 447 Q HN 0.604 nan 8.270 nan 0.000 0.383 448 G N 2.150 110.978 108.800 0.046 0.000 2.245 448 G HA2 -0.304 3.651 3.960 -0.009 0.000 0.264 448 G HA3 -0.304 3.651 3.960 -0.009 0.000 0.264 448 G C 0.645 175.501 174.900 -0.073 0.000 0.985 448 G CA 0.654 45.748 45.100 -0.009 0.000 0.625 448 G HN 0.539 nan 8.290 nan 0.000 0.536 449 L N -2.050 119.117 121.223 -0.093 0.000 2.470 449 L HA 0.549 4.884 4.340 -0.009 0.000 0.219 449 L C 0.770 177.232 176.870 -0.681 0.000 1.071 449 L CA 0.318 54.940 54.840 -0.364 0.000 0.850 449 L CB 0.147 42.013 42.059 -0.323 0.000 1.040 449 L HN 0.155 nan 8.230 nan 0.000 0.475 450 F N -1.373 118.650 119.950 0.121 0.000 2.715 450 F HA 0.300 4.822 4.527 -0.009 0.000 0.318 450 F C -0.072 175.772 175.800 0.073 0.000 1.141 450 F CA -1.245 56.820 58.000 0.109 0.000 0.950 450 F CB 1.266 40.362 39.000 0.161 0.000 1.374 450 F HN -0.303 nan 8.300 nan 0.000 0.477 451 E N 2.189 122.554 120.200 0.276 0.000 2.105 451 E HA 0.319 4.664 4.350 -0.009 0.000 0.285 451 E C -1.214 175.434 176.600 0.081 0.000 1.055 451 E CA -0.295 56.185 56.400 0.133 0.000 0.843 451 E CB 0.412 30.168 29.700 0.093 0.000 1.067 451 E HN 0.303 nan 8.360 nan 0.000 0.398 452 I N 6.852 127.450 120.570 0.047 0.000 2.312 452 I HA 0.257 4.422 4.170 -0.009 0.000 0.290 452 I C -2.036 174.043 176.117 -0.063 0.000 1.008 452 I CA -2.880 58.385 61.300 -0.060 0.000 1.226 452 I CB 0.436 38.399 38.000 -0.062 0.000 1.371 452 I HN 0.409 nan 8.210 nan 0.000 0.468 453 P HA 0.036 nan 4.420 nan 0.000 0.263 453 P C 0.014 177.342 177.300 0.047 0.000 1.195 453 P CA 0.056 63.137 63.100 -0.032 0.000 0.762 453 P CB 0.294 31.960 31.700 -0.057 0.000 0.799 454 S N 2.858 118.584 115.700 0.044 0.000 2.549 454 S HA -0.061 4.404 4.470 -0.009 0.000 0.286 454 S C 1.015 175.640 174.600 0.042 0.000 1.314 454 S CA -0.403 57.849 58.200 0.087 0.000 1.062 454 S CB 0.113 63.344 63.200 0.052 0.000 0.865 454 S HN 0.473 nan 8.310 nan 0.000 0.498 455 Y N 3.701 123.967 120.300 -0.058 0.000 2.193 455 Y HA -0.263 4.282 4.550 -0.009 0.000 0.285 455 Y C 2.497 178.286 175.900 -0.186 0.000 1.166 455 Y CA 2.273 60.160 58.100 -0.355 0.000 1.181 455 Y CB -0.425 37.871 38.460 -0.273 0.000 0.976 455 Y HN 0.820 nan 8.280 nan 0.000 0.520 456 R N 0.692 121.144 120.500 -0.079 0.000 2.103 456 R HA -0.209 4.125 4.340 -0.009 0.000 0.234 456 R C 2.762 179.006 176.300 -0.092 0.000 1.132 456 R CA 2.485 58.538 56.100 -0.077 0.000 0.925 456 R CB -0.986 29.326 30.300 0.020 0.000 0.842 456 R HN 0.546 nan 8.270 nan 0.000 0.430 457 S N 0.380 116.039 115.700 -0.068 0.000 2.368 457 S HA -0.234 4.231 4.470 -0.009 0.000 0.226 457 S C 2.104 176.645 174.600 -0.099 0.000 1.044 457 S CA 1.876 60.039 58.200 -0.061 0.000 1.062 457 S CB -0.924 62.249 63.200 -0.045 0.000 0.931 457 S HN 0.401 nan 8.310 nan 0.000 0.440 458 L N -0.663 120.457 121.223 -0.171 0.000 2.141 458 L HA -0.028 4.307 4.340 -0.009 0.000 0.209 458 L C 2.668 179.418 176.870 -0.200 0.000 1.094 458 L CA 1.616 56.335 54.840 -0.201 0.000 0.763 458 L CB -0.645 41.242 42.059 -0.287 0.000 0.908 458 L HN 0.333 nan 8.230 nan 0.000 0.437 459 Y N 0.945 120.989 120.300 -0.426 0.000 2.133 459 Y HA -0.223 4.321 4.550 -0.009 0.000 0.287 459 Y C 2.360 178.230 175.900 -0.050 0.000 1.134 459 Y CA 1.502 59.399 58.100 -0.338 0.000 1.133 459 Y CB -0.237 37.879 38.460 -0.574 0.000 0.987 459 Y HN -0.032 nan 8.280 nan 0.000 0.502 460 L N 0.067 121.261 121.223 -0.048 0.000 2.127 460 L HA -0.243 4.091 4.340 -0.009 0.000 0.211 460 L C 2.732 179.536 176.870 -0.111 0.000 1.089 460 L CA 1.716 56.510 54.840 -0.077 0.000 0.757 460 L CB -0.619 41.438 42.059 -0.002 0.000 0.899 460 L HN 0.205 nan 8.230 nan 0.000 0.434 461 R N -0.189 120.262 120.500 -0.081 0.000 2.073 461 R HA -0.248 4.087 4.340 -0.009 0.000 0.234 461 R C 2.311 178.573 176.300 -0.064 0.000 1.134 461 R CA 2.073 58.133 56.100 -0.067 0.000 0.952 461 R CB -0.536 29.732 30.300 -0.052 0.000 0.850 461 R HN 0.398 nan 8.270 nan 0.000 0.433 462 W N 1.139 122.289 121.300 -0.249 0.000 2.335 462 W HA -0.216 4.439 4.660 -0.009 0.000 0.311 462 W C 1.767 178.123 176.519 -0.271 0.000 1.213 462 W CA 1.678 58.880 57.345 -0.238 0.000 1.274 462 W CB -0.583 28.726 29.460 -0.253 0.000 1.148 462 W HN -0.093 nan 8.180 nan 0.000 0.498 463 V N 1.472 121.098 119.914 -0.481 0.000 2.282 463 V HA -0.392 3.723 4.120 -0.009 0.000 0.249 463 V C 2.168 177.949 176.094 -0.521 0.000 1.057 463 V CA 2.477 64.371 62.300 -0.676 0.000 1.032 463 V CB -1.468 30.099 31.823 -0.428 0.000 0.645 463 V HN 0.395 nan 8.190 nan 0.000 0.447 464 N N 0.072 118.577 118.700 -0.325 0.000 2.381 464 N HA -0.062 4.673 4.740 -0.009 0.000 0.182 464 N C 1.541 176.896 175.510 -0.257 0.000 1.025 464 N CA 1.272 54.180 53.050 -0.236 0.000 0.888 464 N CB -0.113 38.288 38.487 -0.143 0.000 0.965 464 N HN 0.462 nan 8.380 nan 0.000 0.438 465 A N -0.303 122.329 122.820 -0.313 0.000 1.861 465 A HA 0.038 4.353 4.320 -0.009 0.000 0.212 465 A C 2.268 179.631 177.584 -0.369 0.000 1.199 465 A CA 1.115 52.992 52.037 -0.267 0.000 0.613 465 A CB -1.068 17.828 19.000 -0.173 0.000 0.846 465 A HN 0.184 nan 8.150 nan 0.000 0.446 466 V N -1.666 117.862 119.914 -0.645 0.000 2.490 466 V HA -0.097 4.018 4.120 -0.009 0.000 0.250 466 V C 0.692 176.392 176.094 -0.657 0.000 1.061 466 V CA 1.832 63.690 62.300 -0.736 0.000 1.064 466 V CB -0.134 30.929 31.823 -1.266 0.000 0.670 466 V HN 0.755 nan 8.190 nan 0.000 0.461 467 C N -0.358 118.589 119.300 -0.588 0.000 3.146 467 C HA 0.504 4.959 4.460 -0.009 0.000 0.382 467 C C 1.572 176.408 174.990 -0.256 0.000 1.060 467 C CA -0.669 58.125 59.018 -0.373 0.000 1.304 467 C CB 0.045 27.560 27.740 -0.376 0.000 1.699 467 C HN 0.608 nan 8.230 nan 0.000 0.532 468 G N 2.484 111.175 108.800 -0.181 0.000 2.499 468 G HA2 -0.186 3.769 3.960 -0.009 0.000 0.221 468 G HA3 -0.186 3.769 3.960 -0.009 0.000 0.221 468 G C 1.042 175.886 174.900 -0.093 0.000 1.109 468 G CA 1.627 46.648 45.100 -0.131 0.000 0.749 468 G HN 0.845 nan 8.290 nan 0.000 0.568 469 D N 1.018 121.374 120.400 -0.074 0.000 2.137 469 D HA 0.002 4.637 4.640 -0.009 0.000 0.202 469 D C 2.849 179.127 176.300 -0.037 0.000 0.970 469 D CA 0.987 54.963 54.000 -0.041 0.000 0.837 469 D CB -0.446 40.347 40.800 -0.012 0.000 0.981 469 D HN 0.303 nan 8.370 nan 0.000 0.475 470 A N 1.366 124.171 122.820 -0.025 0.000 2.032 470 A HA -0.134 4.181 4.320 -0.009 0.000 0.221 470 A C 2.248 179.801 177.584 -0.052 0.000 1.165 470 A CA 2.249 54.295 52.037 0.016 0.000 0.645 470 A CB -0.436 18.628 19.000 0.107 0.000 0.807 470 A HN 0.276 nan 8.150 nan 0.000 0.453 471 A N -0.539 122.221 122.820 -0.099 0.000 1.850 471 A HA 0.375 4.690 4.320 -0.009 0.000 0.212 471 A C 2.536 180.048 177.584 -0.120 0.000 1.208 471 A CA 1.585 53.550 52.037 -0.119 0.000 0.609 471 A CB -1.224 17.710 19.000 -0.110 0.000 0.860 471 A HN 1.049 nan 8.150 nan 0.000 0.448 472 A N 0.098 122.898 122.820 -0.032 0.000 1.883 472 A HA -0.125 4.189 4.320 -0.009 0.000 0.217 472 A C 2.122 179.666 177.584 -0.066 0.000 1.186 472 A CA 1.673 53.744 52.037 0.058 0.000 0.624 472 A CB -0.890 18.101 19.000 -0.015 0.000 0.822 472 A HN 0.482 nan 8.150 nan 0.000 0.444 473 L N -0.363 120.796 121.223 -0.106 0.000 2.261 473 L HA -0.161 4.174 4.340 -0.009 0.000 0.216 473 L C 1.818 178.638 176.870 -0.085 0.000 1.114 473 L CA 0.931 55.708 54.840 -0.105 0.000 0.777 473 L CB -0.555 41.486 42.059 -0.030 0.000 0.910 473 L HN 0.342 nan 8.230 nan 0.000 0.440 474 E N -0.814 119.299 120.200 -0.146 0.000 2.512 474 E HA -0.092 4.253 4.350 -0.009 0.000 0.195 474 E C 1.453 177.915 176.600 -0.230 0.000 1.083 474 E CA 0.487 56.786 56.400 -0.168 0.000 0.873 474 E CB -0.015 29.567 29.700 -0.197 0.000 0.897 474 E HN 0.568 nan 8.360 nan 0.000 0.514 475 H N -1.371 117.671 119.070 -0.045 0.000 2.604 475 H HA 0.154 4.705 4.556 -0.009 0.000 0.273 475 H C 0.625 176.013 175.328 0.100 0.000 0.971 475 H CA 0.249 56.290 56.048 -0.011 0.000 1.249 475 H CB 0.594 30.311 29.762 -0.074 0.000 1.449 475 H HN 0.303 nan 8.280 nan 0.000 0.512 476 H N 0.000 119.138 119.070 0.113 0.000 2.539 476 H HA 0.000 4.551 4.556 -0.009 0.000 0.296 476 H CA 0.000 56.088 56.048 0.067 0.000 1.023 476 H CB 0.000 29.793 29.762 0.051 0.000 1.292 476 H HN 0.000 nan 8.280 nan 0.000 0.496