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 1ox5_1_B DATA FIRST_RESID 3 DATA SEQUENCE VVHVIDVESG NLQSLTNAIE HLGYEVQLVK SPKDFNISGT SRLILPGVGN DATA SEQUENCE YGHFVDNLFN RGFEKPIREY IESGKPIMGI XVGLQALFAG SVESPKSTGL DATA SEQUENCE NYIDFKLSRF DDSEKPVPEI GWNSCIPSEN LFFGLDPYKR YYFVHSFAAI DATA SEQUENCE LNSEKKKNLE NDGWKIAKAK YGSEEFIAAV NKNNIFATQF HPEKSGKAGL DATA SEQUENCE NVIENFLKQQ SPPIPNYSAE EKELLMNDYS NYGLTRRIIA CLDVRTNDQG DATA SEQUENCE DLVVTKXXXX XXXXXXXXXX XXXLGKPVQL AQKYYQQGAD EVTFLNITXX DATA SEQUENCE XXCPLKDTPM LEVLKQAAKT VFVPLTVGGG IKDIVDVDGT KIPALEVASL DATA SEQUENCE YFRSGADKVS IGTDAVYAAE KYYELGNRGD GTSPIETISK AYGAQAVVIS DATA SEQUENCE VDPKRVYVNS QADTKNKVFE TEYPGPNGEK YCWYQCTIKG GRESRDLGVW DATA SEQUENCE ELTRACEALG AGEILLNCID KDGSNSGYDL ELIEHVKDAV KIPVIASSGA DATA SEQUENCE GVPEHFEEAF LKTRADACLG AGMFHRGEFT VNDVKEYLLE HGLKVRMD 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.198 176.094 0.173 0.000 1.182 3 V CA 0.000 62.380 62.300 0.133 0.000 1.235 3 V CB 0.000 31.857 31.823 0.057 0.000 1.184 4 V N 1.771 121.739 119.914 0.090 0.000 2.444 4 V HA 0.508 4.628 4.120 0.000 0.000 0.294 4 V C -0.847 175.225 176.094 -0.038 0.000 1.022 4 V CA -0.640 61.712 62.300 0.087 0.000 0.850 4 V CB 1.743 33.596 31.823 0.051 0.000 0.992 4 V HN 0.943 nan 8.190 nan 0.000 0.426 5 H N 2.674 121.757 119.070 0.022 0.000 2.604 5 H HA 0.582 5.138 4.556 0.000 0.000 0.306 5 H C -0.333 174.930 175.328 -0.109 0.000 1.075 5 H CA -0.208 55.815 56.048 -0.042 0.000 1.357 5 H CB 1.460 31.184 29.762 -0.063 0.000 1.426 5 H HN 0.422 nan 8.280 nan 0.000 0.470 6 V N 5.719 125.603 119.914 -0.049 0.000 2.409 6 V HA 0.199 4.319 4.120 0.000 0.000 0.291 6 V C 0.377 176.385 176.094 -0.143 0.000 1.020 6 V CA -0.717 61.528 62.300 -0.092 0.000 0.848 6 V CB 1.275 33.062 31.823 -0.060 0.000 0.990 6 V HN 0.704 nan 8.190 nan 0.000 0.430 7 I N 4.050 124.481 120.570 -0.233 0.000 2.517 7 I HA 0.178 4.348 4.170 0.000 0.000 0.285 7 I C -0.132 175.853 176.117 -0.219 0.000 1.106 7 I CA 0.396 61.484 61.300 -0.353 0.000 1.402 7 I CB 0.643 38.304 38.000 -0.565 0.000 1.399 7 I HN 0.617 nan 8.210 nan 0.000 0.535 8 D N 6.204 126.508 120.400 -0.160 0.000 2.440 8 D HA 0.225 4.865 4.640 0.000 0.000 0.239 8 D C 0.432 176.716 176.300 -0.025 0.000 1.084 8 D CA -0.554 53.415 54.000 -0.052 0.000 0.843 8 D CB 1.645 42.443 40.800 -0.004 0.000 1.097 8 D HN 0.282 nan 8.370 nan 0.000 0.531 9 V N 0.785 120.693 119.914 -0.011 0.000 3.577 9 V HA 0.241 4.361 4.120 0.000 0.000 0.294 9 V C 0.304 176.425 176.094 0.044 0.000 1.317 9 V CA -0.202 62.096 62.300 -0.005 0.000 1.169 9 V CB -1.387 30.390 31.823 -0.076 0.000 1.011 9 V HN 0.713 nan 8.190 nan 0.000 0.426 10 E N 0.079 120.318 120.200 0.065 0.000 2.269 10 E HA -0.214 4.136 4.350 0.000 0.000 0.223 10 E C 0.241 176.919 176.600 0.130 0.000 1.244 10 E CA 0.836 57.287 56.400 0.085 0.000 0.713 10 E CB -1.569 28.173 29.700 0.070 0.000 1.178 10 E HN 0.766 nan 8.360 nan 0.000 0.370 11 S N -0.553 115.251 115.700 0.173 0.000 2.575 11 S HA 0.684 5.154 4.470 0.000 0.000 0.278 11 S C -0.019 174.771 174.600 0.316 0.000 1.139 11 S CA 0.367 58.742 58.200 0.292 0.000 0.954 11 S CB 1.784 65.174 63.200 0.318 0.000 1.054 11 S HN 1.023 nan 8.310 nan 0.000 0.483 12 G N 3.794 112.836 108.800 0.404 0.000 2.760 12 G HA2 -0.183 3.777 3.960 0.000 0.000 0.246 12 G HA3 -0.183 3.777 3.960 0.000 0.000 0.246 12 G C -0.626 174.350 174.900 0.127 0.000 1.359 12 G CA -0.362 44.883 45.100 0.241 0.000 0.861 12 G HN 0.979 nan 8.290 nan 0.000 0.541 13 N N -0.190 118.529 118.700 0.031 0.000 2.405 13 N HA 0.391 5.131 4.740 0.000 0.000 0.260 13 N C 0.849 176.374 175.510 0.025 0.000 1.152 13 N CA -0.224 52.845 53.050 0.032 0.000 0.948 13 N CB 1.039 39.520 38.487 -0.010 0.000 1.111 13 N HN 0.692 nan 8.380 nan 0.000 0.485 14 L N 2.959 124.205 121.223 0.040 0.000 2.781 14 L HA 0.276 4.616 4.340 0.000 0.000 0.245 14 L C 1.706 178.599 176.870 0.038 0.000 1.118 14 L CA 0.406 55.266 54.840 0.034 0.000 0.918 14 L CB -0.125 41.955 42.059 0.035 0.000 1.246 14 L HN 0.534 nan 8.230 nan 0.000 0.526 15 Q N -0.370 119.451 119.800 0.036 0.000 2.030 15 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 15 Q C 2.153 178.191 176.000 0.063 0.000 0.986 15 Q CA 2.034 57.857 55.803 0.035 0.000 0.843 15 Q CB -0.559 28.185 28.738 0.010 0.000 0.904 15 Q HN 0.479 nan 8.270 nan 0.000 0.420 16 S N 1.298 117.039 115.700 0.069 0.000 2.359 16 S HA -0.154 4.316 4.470 0.000 0.000 0.224 16 S C 1.953 176.676 174.600 0.204 0.000 1.035 16 S CA 1.140 59.429 58.200 0.149 0.000 1.018 16 S CB -0.371 62.899 63.200 0.117 0.000 0.876 16 S HN 0.231 nan 8.310 nan 0.000 0.448 17 L N 2.034 123.325 121.223 0.113 0.000 2.017 17 L HA -0.113 4.227 4.340 0.000 0.000 0.208 17 L C 2.376 179.293 176.870 0.079 0.000 1.073 17 L CA 2.151 57.037 54.840 0.076 0.000 0.745 17 L CB -1.547 40.529 42.059 0.027 0.000 0.894 17 L HN 0.377 nan 8.230 nan 0.000 0.432 18 T N -1.048 113.552 114.554 0.076 0.000 2.652 18 T HA -0.175 4.175 4.350 0.000 0.000 0.267 18 T C 1.777 176.550 174.700 0.121 0.000 1.039 18 T CA 1.565 63.711 62.100 0.076 0.000 1.153 18 T CB -0.692 68.211 68.868 0.058 0.000 0.863 18 T HN 0.340 nan 8.240 nan 0.000 0.428 19 N N 1.940 120.739 118.700 0.165 0.000 2.166 19 N HA 0.001 4.741 4.740 0.000 0.000 0.186 19 N C 2.228 177.938 175.510 0.334 0.000 1.019 19 N CA 1.379 54.574 53.050 0.242 0.000 0.856 19 N CB -0.609 38.015 38.487 0.229 0.000 0.993 19 N HN 0.543 nan 8.380 nan 0.000 0.426 20 A N 1.277 124.258 122.820 0.268 0.000 1.902 20 A HA -0.043 4.277 4.320 0.000 0.000 0.217 20 A C 2.331 179.950 177.584 0.060 0.000 1.181 20 A CA 0.824 52.846 52.037 -0.025 0.000 0.623 20 A CB -0.541 18.354 19.000 -0.175 0.000 0.818 20 A HN 0.187 nan 8.150 nan 0.000 0.443 21 I N -0.502 120.116 120.570 0.080 0.000 2.252 21 I HA -0.232 3.938 4.170 0.000 0.000 0.245 21 I C 2.462 178.682 176.117 0.172 0.000 1.102 21 I CA 1.496 62.839 61.300 0.072 0.000 1.385 21 I CB -0.465 37.558 38.000 0.038 0.000 1.064 21 I HN 0.420 nan 8.210 nan 0.000 0.414 22 E N -0.158 120.149 120.200 0.178 0.000 2.110 22 E HA -0.291 4.059 4.350 0.000 0.000 0.193 22 E C 2.008 178.731 176.600 0.205 0.000 0.988 22 E CA 1.267 57.777 56.400 0.183 0.000 0.804 22 E CB -0.274 29.518 29.700 0.154 0.000 0.745 22 E HN 0.511 nan 8.360 nan 0.000 0.458 23 H N 0.604 119.758 119.070 0.141 0.000 2.489 23 H HA -0.008 4.548 4.556 0.000 0.000 0.293 23 H C 1.589 176.991 175.328 0.123 0.000 1.066 23 H CA 0.985 57.117 56.048 0.140 0.000 1.305 23 H CB 0.025 29.891 29.762 0.173 0.000 1.386 23 H HN 0.062 nan 8.280 nan 0.000 0.551 24 L N -0.982 120.288 121.223 0.079 0.000 2.591 24 L HA 0.192 4.532 4.340 0.000 0.000 0.228 24 L C 1.328 178.319 176.870 0.202 0.000 1.133 24 L CA 0.534 55.435 54.840 0.102 0.000 0.880 24 L CB 0.247 42.411 42.059 0.175 0.000 1.033 24 L HN 0.617 nan 8.230 nan 0.000 0.450 25 G N -1.060 107.825 108.800 0.142 0.000 2.130 25 G HA2 -0.274 3.686 3.960 0.000 0.000 0.216 25 G HA3 -0.274 3.686 3.960 0.000 0.000 0.216 25 G C -0.328 174.511 174.900 -0.102 0.000 0.999 25 G CA -0.472 44.630 45.100 0.004 0.000 0.686 25 G HN 0.202 nan 8.290 nan 0.000 0.515 26 Y N -0.291 120.020 120.300 0.018 0.000 2.587 26 Y HA 0.712 5.262 4.550 0.000 0.000 0.337 26 Y C 0.471 176.383 175.900 0.020 0.000 1.065 26 Y CA -1.242 56.870 58.100 0.020 0.000 1.126 26 Y CB 1.314 39.790 38.460 0.026 0.000 1.279 26 Y HN 0.178 nan 8.280 nan 0.000 0.489 27 E N 0.793 121.093 120.200 0.166 0.000 2.191 27 E HA 0.596 4.946 4.350 0.000 0.000 0.278 27 E C -1.684 174.955 176.600 0.064 0.000 0.972 27 E CA -0.642 55.809 56.400 0.085 0.000 0.804 27 E CB 1.357 31.081 29.700 0.040 0.000 1.110 27 E HN 0.434 nan 8.360 nan 0.000 0.394 28 V N 3.708 123.641 119.914 0.032 0.000 2.427 28 V HA 0.218 4.338 4.120 0.000 0.000 0.286 28 V C -0.390 175.668 176.094 -0.060 0.000 1.034 28 V CA -0.603 61.691 62.300 -0.010 0.000 0.893 28 V CB 1.404 33.236 31.823 0.014 0.000 0.982 28 V HN 0.640 nan 8.190 nan 0.000 0.452 29 Q N 4.485 124.198 119.800 -0.144 0.000 2.339 29 Q HA 0.509 4.849 4.340 0.000 0.000 0.268 29 Q C -1.273 174.663 176.000 -0.106 0.000 1.027 29 Q CA -0.224 55.476 55.803 -0.172 0.000 0.759 29 Q CB 1.340 29.831 28.738 -0.412 0.000 1.244 29 Q HN 0.725 nan 8.270 nan 0.000 0.464 30 L N 3.715 124.917 121.223 -0.034 0.000 2.367 30 L HA 0.432 4.772 4.340 0.000 0.000 0.275 30 L C -0.483 176.406 176.870 0.030 0.000 1.129 30 L CA -0.804 54.031 54.840 -0.008 0.000 0.839 30 L CB 0.994 43.059 42.059 0.009 0.000 1.133 30 L HN 0.393 nan 8.230 nan 0.000 0.453 31 V N 4.338 124.261 119.914 0.015 0.000 2.284 31 V HA 0.187 4.307 4.120 0.000 0.000 0.274 31 V C 0.649 176.834 176.094 0.151 0.000 1.023 31 V CA -0.522 61.826 62.300 0.079 0.000 0.808 31 V CB 0.932 32.713 31.823 -0.071 0.000 1.035 31 V HN 0.742 nan 8.190 nan 0.000 0.445 32 K N 1.690 122.210 120.400 0.199 0.000 2.356 32 K HA 0.210 4.530 4.320 0.000 0.000 0.195 32 K C 0.790 177.598 176.600 0.347 0.000 1.037 32 K CA 0.355 56.778 56.287 0.226 0.000 1.014 32 K CB 0.682 33.257 32.500 0.125 0.000 0.815 32 K HN 0.563 nan 8.250 nan 0.000 0.507 33 S N -0.382 115.488 115.700 0.283 0.000 2.564 33 S HA 0.301 4.771 4.470 0.000 0.000 0.274 33 S C -2.533 172.003 174.600 -0.107 0.000 1.124 33 S CA -1.645 56.541 58.200 -0.023 0.000 0.869 33 S CB 1.571 64.762 63.200 -0.015 0.000 1.105 33 S HN -0.262 nan 8.310 nan 0.000 0.472 34 P HA 0.013 nan 4.420 nan 0.000 0.223 34 P C 0.510 177.845 177.300 0.058 0.000 1.144 34 P CA 1.005 64.014 63.100 -0.151 0.000 0.783 34 P CB 0.087 31.599 31.700 -0.314 0.000 0.771 35 K N -0.838 119.571 120.400 0.015 0.000 2.366 35 K HA -0.033 4.287 4.320 0.000 0.000 0.198 35 K C 0.843 177.508 176.600 0.109 0.000 1.044 35 K CA 0.767 57.072 56.287 0.031 0.000 0.973 35 K CB -0.193 32.310 32.500 0.004 0.000 0.767 35 K HN 0.147 nan 8.250 nan 0.000 0.475 36 D N 0.318 120.841 120.400 0.204 0.000 2.349 36 D HA 0.011 4.651 4.640 0.000 0.000 0.224 36 D C 0.019 176.552 176.300 0.389 0.000 1.029 36 D CA 0.488 54.637 54.000 0.248 0.000 0.879 36 D CB 0.042 40.975 40.800 0.222 0.000 0.906 36 D HN 0.203 nan 8.370 nan 0.000 0.528 37 F N 0.010 120.013 119.950 0.088 0.000 2.665 37 F HA 0.361 4.888 4.527 0.000 0.000 0.308 37 F C -1.422 174.386 175.800 0.013 0.000 1.112 37 F CA -1.410 56.622 58.000 0.055 0.000 0.972 37 F CB 1.253 40.275 39.000 0.035 0.000 1.295 37 F HN -0.274 nan 8.300 nan 0.000 0.440 38 N N 4.159 122.693 118.700 -0.276 0.000 2.335 38 N HA 0.307 5.047 4.740 0.000 0.000 0.304 38 N C 0.278 175.615 175.510 -0.288 0.000 1.135 38 N CA -0.790 52.052 53.050 -0.348 0.000 0.817 38 N CB 2.111 40.513 38.487 -0.143 0.000 1.294 38 N HN 0.619 nan 8.380 nan 0.000 0.497 39 I N 1.215 121.649 120.570 -0.227 0.000 2.127 39 I HA -0.264 3.906 4.170 0.000 0.000 0.241 39 I C 2.578 178.708 176.117 0.023 0.000 1.075 39 I CA 1.662 62.947 61.300 -0.026 0.000 1.334 39 I CB -1.807 36.171 38.000 -0.036 0.000 1.040 39 I HN 0.761 nan 8.210 nan 0.000 0.405 40 S N 0.757 116.444 115.700 -0.021 0.000 2.419 40 S HA -0.049 4.421 4.470 0.000 0.000 0.233 40 S C 1.913 176.527 174.600 0.024 0.000 1.016 40 S CA 0.963 59.161 58.200 -0.003 0.000 0.974 40 S CB -1.003 62.188 63.200 -0.015 0.000 0.786 40 S HN 0.483 nan 8.310 nan 0.000 0.492 41 G N 0.373 109.185 108.800 0.019 0.000 3.141 41 G HA2 0.341 4.302 3.960 0.000 0.000 0.218 41 G HA3 0.341 4.302 3.960 0.000 0.000 0.218 41 G C -0.075 174.858 174.900 0.054 0.000 1.170 41 G CA -0.103 45.027 45.100 0.050 0.000 0.769 41 G HN 0.475 nan 8.290 nan 0.000 0.546 42 T N 0.198 114.776 114.554 0.041 0.000 2.815 42 T HA 0.390 4.740 4.350 0.000 0.000 0.289 42 T C 1.066 175.914 174.700 0.246 0.000 1.000 42 T CA -0.142 61.972 62.100 0.023 0.000 0.958 42 T CB 1.712 70.542 68.868 -0.063 0.000 0.944 42 T HN 0.147 nan 8.240 nan 0.000 0.442 43 S N 2.525 118.370 115.700 0.243 0.000 2.506 43 S HA 0.251 4.721 4.470 0.000 0.000 0.219 43 S C 0.662 175.401 174.600 0.232 0.000 1.031 43 S CA -0.432 57.897 58.200 0.215 0.000 0.911 43 S CB 0.413 63.701 63.200 0.146 0.000 0.812 43 S HN 0.395 nan 8.310 nan 0.000 0.497 44 R N 0.954 121.604 120.500 0.251 0.000 2.518 44 R HA 0.526 4.866 4.340 0.000 0.000 0.296 44 R C -2.017 174.413 176.300 0.216 0.000 1.080 44 R CA -0.436 55.790 56.100 0.209 0.000 0.922 44 R CB 1.492 31.849 30.300 0.096 0.000 1.184 44 R HN 0.324 nan 8.270 nan 0.000 0.445 45 L N 4.264 125.590 121.223 0.171 0.000 2.322 45 L HA 0.631 4.971 4.340 0.000 0.000 0.281 45 L C -0.819 176.049 176.870 -0.004 0.000 1.014 45 L CA -0.459 54.342 54.840 -0.065 0.000 0.815 45 L CB 1.384 43.102 42.059 -0.569 0.000 1.247 45 L HN 0.554 nan 8.230 nan 0.000 0.421 46 I N 5.730 126.251 120.570 -0.082 0.000 2.436 46 I HA 0.295 4.465 4.170 0.000 0.000 0.289 46 I C -1.081 174.923 176.117 -0.188 0.000 1.010 46 I CA -0.785 60.424 61.300 -0.153 0.000 1.098 46 I CB 1.984 39.914 38.000 -0.117 0.000 1.266 46 I HN 0.422 nan 8.210 nan 0.000 0.434 47 L N 10.005 131.103 121.223 -0.208 0.000 2.360 47 L HA 0.521 4.861 4.340 0.000 0.000 0.265 47 L C -2.421 174.337 176.870 -0.187 0.000 1.066 47 L CA -1.889 52.853 54.840 -0.163 0.000 0.929 47 L CB 0.387 42.380 42.059 -0.110 0.000 1.306 47 L HN 0.253 nan 8.230 nan 0.000 0.434 48 P HA 0.382 nan 4.420 nan 0.000 0.286 48 P C -0.439 176.652 177.300 -0.348 0.000 1.269 48 P CA -0.143 62.825 63.100 -0.219 0.000 0.787 48 P CB 1.644 33.266 31.700 -0.131 0.000 0.920 49 G N 1.493 109.945 108.800 -0.579 0.000 2.524 49 G HA2 0.621 4.581 3.960 0.000 0.000 0.310 49 G HA3 0.621 4.581 3.960 0.000 0.000 0.310 49 G C -1.559 173.004 174.900 -0.563 0.000 1.279 49 G CA -0.667 43.742 45.100 -1.152 0.000 0.974 49 G HN 0.370 nan 8.290 nan 0.000 0.484 50 V N 0.450 120.098 119.914 -0.445 0.000 3.012 50 V HA 0.914 5.034 4.120 0.000 0.000 0.307 50 V C 0.799 176.850 176.094 -0.073 0.000 1.166 50 V CA 0.529 62.748 62.300 -0.136 0.000 0.974 50 V CB 1.180 32.981 31.823 -0.036 0.000 1.040 50 V HN 2.182 nan 8.190 nan 0.000 0.428 51 G N 3.018 111.799 108.800 -0.031 0.000 2.542 51 G HA2 -0.213 3.747 3.960 0.000 0.000 0.235 51 G HA3 -0.213 3.747 3.960 0.000 0.000 0.235 51 G C -0.154 174.724 174.900 -0.037 0.000 1.286 51 G CA 0.194 45.270 45.100 -0.038 0.000 0.904 51 G HN 1.082 nan 8.290 nan 0.000 0.577 52 N N 0.447 119.099 118.700 -0.081 0.000 2.483 52 N HA 0.094 4.834 4.740 0.000 0.000 0.264 52 N C 1.309 176.848 175.510 0.048 0.000 1.197 52 N CA 0.694 53.734 53.050 -0.018 0.000 0.927 52 N CB 0.530 38.987 38.487 -0.050 0.000 1.065 52 N HN 0.658 nan 8.380 nan 0.000 0.461 53 Y N 3.982 124.232 120.300 -0.084 0.000 2.069 53 Y HA -0.200 4.350 4.550 0.000 0.000 0.278 53 Y C 2.101 177.984 175.900 -0.029 0.000 1.175 53 Y CA 2.615 60.675 58.100 -0.067 0.000 1.134 53 Y CB -0.581 37.775 38.460 -0.174 0.000 0.965 53 Y HN 0.691 nan 8.280 nan 0.000 0.498 54 G N -1.215 107.643 108.800 0.096 0.000 2.418 54 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 54 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 54 G C 1.694 176.552 174.900 -0.070 0.000 1.158 54 G CA 1.048 46.146 45.100 -0.003 0.000 0.771 54 G HN 0.617 nan 8.290 nan 0.000 0.545 55 H N -0.506 118.500 119.070 -0.107 0.000 2.457 55 H HA -0.100 4.456 4.556 0.000 0.000 0.297 55 H C 2.002 177.255 175.328 -0.125 0.000 1.092 55 H CA 1.516 57.489 56.048 -0.126 0.000 1.309 55 H CB -0.126 29.539 29.762 -0.163 0.000 1.382 55 H HN 0.365 nan 8.280 nan 0.000 0.535 56 F N 0.579 120.409 119.950 -0.200 0.000 2.164 56 F HA -0.032 4.496 4.527 0.000 0.000 0.287 56 F C 2.423 177.998 175.800 -0.375 0.000 1.086 56 F CA 0.987 58.825 58.000 -0.269 0.000 1.249 56 F CB -0.761 38.089 39.000 -0.250 0.000 1.059 56 F HN -0.070 nan 8.300 nan 0.000 0.490 57 V N 1.033 120.556 119.914 -0.651 0.000 2.332 57 V HA -0.306 3.814 4.120 0.000 0.000 0.248 57 V C 2.045 177.684 176.094 -0.758 0.000 1.055 57 V CA 2.228 63.983 62.300 -0.907 0.000 1.038 57 V CB -0.815 30.455 31.823 -0.922 0.000 0.651 57 V HN 0.316 nan 8.190 nan 0.000 0.450 58 D N 0.080 120.200 120.400 -0.467 0.000 2.084 58 D HA -0.167 4.474 4.640 0.000 0.000 0.194 58 D C 2.160 178.314 176.300 -0.244 0.000 0.990 58 D CA 1.345 55.176 54.000 -0.281 0.000 0.826 58 D CB -0.568 40.117 40.800 -0.192 0.000 0.971 58 D HN 0.345 nan 8.370 nan 0.000 0.453 59 N N 0.552 119.056 118.700 -0.328 0.000 2.069 59 N HA -0.144 4.596 4.740 0.000 0.000 0.191 59 N C 1.887 177.277 175.510 -0.200 0.000 1.031 59 N CA 0.610 53.497 53.050 -0.271 0.000 0.852 59 N CB -0.390 37.884 38.487 -0.356 0.000 1.018 59 N HN 0.124 nan 8.380 nan 0.000 0.423 60 L N 0.078 121.073 121.223 -0.379 0.000 1.994 60 L HA -0.066 4.275 4.340 0.000 0.000 0.208 60 L C 1.980 179.002 176.870 0.253 0.000 1.071 60 L CA 1.608 56.324 54.840 -0.206 0.000 0.745 60 L CB -0.897 40.806 42.059 -0.593 0.000 0.892 60 L HN 0.036 nan 8.230 nan 0.000 0.431 61 F N -0.359 119.523 119.950 -0.113 0.000 2.325 61 F HA -0.084 4.443 4.527 0.000 0.000 0.299 61 F C 2.527 178.306 175.800 -0.035 0.000 1.090 61 F CA 0.604 58.580 58.000 -0.041 0.000 1.392 61 F CB -1.412 37.551 39.000 -0.061 0.000 1.053 61 F HN 0.266 nan 8.300 nan 0.000 0.521 62 N N 0.798 119.575 118.700 0.128 0.000 2.166 62 N HA -0.152 4.588 4.740 0.000 0.000 0.186 62 N C 1.753 177.280 175.510 0.028 0.000 1.019 62 N CA 0.860 53.937 53.050 0.045 0.000 0.856 62 N CB -0.096 38.386 38.487 -0.007 0.000 0.993 62 N HN 0.266 nan 8.380 nan 0.000 0.426 63 R N -0.476 120.061 120.500 0.062 0.000 2.307 63 R HA 0.084 4.425 4.340 0.000 0.000 0.199 63 R C 0.811 177.019 176.300 -0.153 0.000 1.000 63 R CA 0.576 56.678 56.100 0.003 0.000 1.023 63 R CB 0.069 30.459 30.300 0.150 0.000 0.908 63 R HN 0.216 nan 8.270 nan 0.000 0.473 64 G N 0.448 109.205 108.800 -0.071 0.000 2.171 64 G HA2 -0.264 3.696 3.960 0.000 0.000 0.238 64 G HA3 -0.264 3.696 3.960 0.000 0.000 0.238 64 G C 0.293 175.086 174.900 -0.178 0.000 1.039 64 G CA -0.301 44.717 45.100 -0.137 0.000 0.759 64 G HN 0.362 nan 8.290 nan 0.000 0.501 65 F N -0.071 119.879 119.950 0.001 0.000 2.743 65 F HA 0.197 4.724 4.527 0.000 0.000 0.297 65 F C 2.278 178.057 175.800 -0.034 0.000 1.131 65 F CA 1.011 59.029 58.000 0.030 0.000 1.426 65 F CB 0.209 39.237 39.000 0.045 0.000 1.116 65 F HN 0.403 nan 8.300 nan 0.000 0.583 66 E N 1.077 121.220 120.200 -0.094 0.000 2.033 66 E HA -0.262 4.088 4.350 0.000 0.000 0.199 66 E C 2.011 178.545 176.600 -0.111 0.000 1.011 66 E CA 1.623 57.814 56.400 -0.349 0.000 0.815 66 E CB 0.053 29.223 29.700 -0.884 0.000 0.755 66 E HN 0.368 nan 8.360 nan 0.000 0.451 67 K N -0.455 119.889 120.400 -0.093 0.000 2.057 67 K HA -0.113 4.207 4.320 0.000 0.000 0.207 67 K C -0.657 175.974 176.600 0.051 0.000 1.049 67 K CA 1.529 57.797 56.287 -0.030 0.000 0.931 67 K CB -0.841 31.626 32.500 -0.054 0.000 0.714 67 K HN 0.191 nan 8.250 nan 0.000 0.440 68 P HA -0.140 nan 4.420 nan 0.000 0.215 68 P C 1.302 178.798 177.300 0.328 0.000 1.153 68 P CA 1.185 64.400 63.100 0.192 0.000 0.853 68 P CB 0.035 31.927 31.700 0.320 0.000 0.788 69 I N -1.022 119.747 120.570 0.330 0.000 2.252 69 I HA -0.231 3.939 4.170 0.000 0.000 0.245 69 I C 2.530 178.826 176.117 0.300 0.000 1.102 69 I CA 1.469 62.959 61.300 0.318 0.000 1.385 69 I CB -0.353 37.798 38.000 0.251 0.000 1.064 69 I HN -0.129 nan 8.210 nan 0.000 0.414 70 R N 0.461 121.098 120.500 0.228 0.000 2.075 70 R HA -0.157 4.183 4.340 0.000 0.000 0.232 70 R C 2.159 178.563 176.300 0.173 0.000 1.126 70 R CA 1.272 57.506 56.100 0.223 0.000 0.963 70 R CB -0.244 30.134 30.300 0.130 0.000 0.858 70 R HN 0.399 nan 8.270 nan 0.000 0.435 71 E N -0.408 119.873 120.200 0.136 0.000 2.110 71 E HA -0.219 4.132 4.350 0.000 0.000 0.193 71 E C 1.567 178.223 176.600 0.094 0.000 0.988 71 E CA 1.057 57.507 56.400 0.083 0.000 0.804 71 E CB -0.045 29.682 29.700 0.044 0.000 0.745 71 E HN 0.320 nan 8.360 nan 0.000 0.458 72 Y N 0.811 121.159 120.300 0.079 0.000 2.220 72 Y HA -0.139 4.411 4.550 0.000 0.000 0.291 72 Y C 1.879 177.821 175.900 0.070 0.000 1.129 72 Y CA 1.321 59.475 58.100 0.091 0.000 1.161 72 Y CB 0.009 38.579 38.460 0.185 0.000 0.997 72 Y HN -0.041 nan 8.280 nan 0.000 0.522 73 I N 0.105 120.774 120.570 0.164 0.000 2.286 73 I HA -0.281 3.889 4.170 0.000 0.000 0.248 73 I C 2.052 178.150 176.117 -0.032 0.000 1.115 73 I CA 1.675 63.007 61.300 0.053 0.000 1.392 73 I CB -0.360 37.687 38.000 0.078 0.000 1.065 73 I HN 0.303 nan 8.210 nan 0.000 0.418 74 E N 0.428 120.633 120.200 0.007 0.000 2.204 74 E HA -0.175 4.176 4.350 0.000 0.000 0.194 74 E C 2.175 178.732 176.600 -0.072 0.000 0.989 74 E CA 1.386 57.780 56.400 -0.011 0.000 0.824 74 E CB -0.004 29.706 29.700 0.017 0.000 0.756 74 E HN 0.485 nan 8.360 nan 0.000 0.477 75 S N -0.748 114.871 115.700 -0.136 0.000 2.507 75 S HA -0.006 4.464 4.470 0.000 0.000 0.235 75 S C 1.737 176.226 174.600 -0.186 0.000 0.988 75 S CA 0.706 58.800 58.200 -0.176 0.000 0.944 75 S CB 0.037 63.082 63.200 -0.259 0.000 0.762 75 S HN 0.385 nan 8.310 nan 0.000 0.526 76 G N 0.707 109.394 108.800 -0.188 0.000 2.179 76 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 76 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 76 G C -0.016 174.788 174.900 -0.161 0.000 0.977 76 G CA 0.342 45.354 45.100 -0.146 0.000 0.641 76 G HN 0.609 nan 8.290 nan 0.000 0.533 77 K N 1.004 121.227 120.400 -0.295 0.000 2.144 77 K HA 0.425 4.745 4.320 0.000 0.000 0.270 77 K C -2.436 174.142 176.600 -0.038 0.000 1.005 77 K CA -1.936 54.212 56.287 -0.232 0.000 0.932 77 K CB 0.879 33.160 32.500 -0.365 0.000 1.021 77 K HN -0.031 nan 8.250 nan 0.000 0.462 78 P HA -0.040 nan 4.420 nan 0.000 0.261 78 P C -0.787 176.868 177.300 0.591 0.000 1.183 78 P CA 0.575 63.865 63.100 0.318 0.000 0.761 78 P CB 0.299 32.063 31.700 0.106 0.000 0.785 79 I N 3.690 124.575 120.570 0.525 0.000 2.647 79 I HA 0.542 4.712 4.170 0.000 0.000 0.295 79 I C -1.151 174.963 176.117 -0.005 0.000 1.078 79 I CA -1.423 60.073 61.300 0.327 0.000 1.048 79 I CB 1.688 39.837 38.000 0.249 0.000 1.239 79 I HN 0.237 nan 8.210 nan 0.000 0.421 80 M N 6.700 126.066 119.600 -0.389 0.000 2.259 80 M HA 0.578 5.058 4.480 0.000 0.000 0.304 80 M C -0.959 175.026 176.300 -0.524 0.000 1.019 80 M CA -0.439 54.385 55.300 -0.794 0.000 0.922 80 M CB 1.656 33.261 32.600 -1.658 0.000 1.600 80 M HN 0.703 nan 8.290 nan 0.000 0.433 81 G N 5.553 114.055 108.800 -0.496 0.000 2.379 81 G HA2 0.722 4.682 3.960 0.000 0.000 0.327 81 G HA3 0.722 4.682 3.960 0.000 0.000 0.327 81 G C -0.957 173.636 174.900 -0.512 0.000 1.145 81 G CA -0.539 44.328 45.100 -0.390 0.000 0.905 81 G HN 0.765 nan 8.290 nan 0.000 0.466 85 G N 0.381 108.921 108.800 -0.435 0.000 2.464 85 G HA2 -0.082 3.878 3.960 0.000 0.000 0.217 85 G HA3 -0.082 3.878 3.960 0.000 0.000 0.217 85 G C 1.281 176.089 174.900 -0.153 0.000 1.138 85 G CA 1.243 46.183 45.100 -0.266 0.000 0.793 85 G HN 0.465 nan 8.290 nan 0.000 0.539 86 L N -0.681 120.433 121.223 -0.182 0.000 2.202 86 L HA 0.173 4.513 4.340 0.000 0.000 0.205 86 L C 2.757 179.709 176.870 0.135 0.000 1.083 86 L CA 0.707 55.503 54.840 -0.072 0.000 0.790 86 L CB -0.147 41.810 42.059 -0.171 0.000 0.942 86 L HN 0.157 nan 8.230 nan 0.000 0.452 87 Q N 0.213 120.043 119.800 0.050 0.000 2.226 87 Q HA -0.143 4.198 4.340 0.000 0.000 0.204 87 Q C 2.199 178.449 176.000 0.417 0.000 0.975 87 Q CA 1.303 57.189 55.803 0.138 0.000 0.866 87 Q CB -0.279 28.545 28.738 0.143 0.000 0.915 87 Q HN 0.693 nan 8.270 nan 0.000 0.440 88 A N 0.992 123.984 122.820 0.287 0.000 2.067 88 A HA -0.093 4.227 4.320 0.000 0.000 0.219 88 A C 1.970 179.735 177.584 0.302 0.000 1.158 88 A CA 0.768 52.958 52.037 0.256 0.000 0.661 88 A CB -0.443 18.655 19.000 0.164 0.000 0.801 88 A HN 0.280 nan 8.150 nan 0.000 0.452 89 L N -1.597 119.803 121.223 0.295 0.000 2.376 89 L HA 0.025 4.365 4.340 0.000 0.000 0.219 89 L C 0.608 177.486 176.870 0.014 0.000 1.133 89 L CA -0.043 54.920 54.840 0.204 0.000 0.816 89 L CB -0.356 41.716 42.059 0.021 0.000 0.933 89 L HN 0.288 nan 8.230 nan 0.000 0.449 90 F N -0.800 119.128 119.950 -0.036 0.000 2.291 90 F HA 0.299 4.826 4.527 0.000 0.000 0.305 90 F C 1.540 177.294 175.800 -0.077 0.000 1.171 90 F CA -0.088 57.812 58.000 -0.167 0.000 1.090 90 F CB 0.252 39.067 39.000 -0.309 0.000 1.436 90 F HN -0.289 nan 8.300 nan 0.000 0.509 91 A N -0.070 122.797 122.820 0.080 0.000 2.067 91 A HA 0.432 4.752 4.320 0.000 0.000 0.219 91 A C 0.997 178.609 177.584 0.047 0.000 1.158 91 A CA 1.441 53.509 52.037 0.050 0.000 0.661 91 A CB -1.029 17.998 19.000 0.045 0.000 0.801 91 A HN 1.137 nan 8.150 nan 0.000 0.452 92 G N -2.536 106.260 108.800 -0.006 0.000 2.352 92 G HA2 0.416 4.376 3.960 0.000 0.000 0.283 92 G HA3 0.416 4.376 3.960 0.000 0.000 0.283 92 G C -0.811 173.780 174.900 -0.514 0.000 1.308 92 G CA 0.196 45.181 45.100 -0.192 0.000 0.892 92 G HN 0.951 nan 8.290 nan 0.000 0.504 93 S N -2.015 113.206 115.700 -0.798 0.000 2.546 93 S HA 0.542 5.012 4.470 0.000 0.000 0.274 93 S C 0.642 174.949 174.600 -0.488 0.000 1.121 93 S CA 0.339 58.094 58.200 -0.742 0.000 0.887 93 S CB 1.892 64.381 63.200 -1.185 0.000 1.094 93 S HN 1.583 nan 8.310 nan 0.000 0.474 94 V N 3.558 123.266 119.914 -0.344 0.000 3.141 94 V HA 0.011 4.131 4.120 0.000 0.000 0.265 94 V C 2.133 178.013 176.094 -0.357 0.000 1.126 94 V CA 2.184 64.354 62.300 -0.216 0.000 1.141 94 V CB -0.548 31.259 31.823 -0.026 0.000 0.743 94 V HN 0.957 nan 8.190 nan 0.000 0.492 95 E N -0.051 119.673 120.200 -0.794 0.000 2.152 95 E HA -0.069 4.281 4.350 0.000 0.000 0.192 95 E C 0.523 176.888 176.600 -0.391 0.000 0.983 95 E CA 1.012 56.827 56.400 -0.974 0.000 0.818 95 E CB 0.179 29.011 29.700 -1.447 0.000 0.758 95 E HN 0.561 nan 8.360 nan 0.000 0.467 96 S N 0.974 116.499 115.700 -0.292 0.000 2.293 96 S HA 0.201 4.671 4.470 0.000 0.000 0.154 96 S C -2.257 172.278 174.600 -0.108 0.000 1.602 96 S CA -0.983 57.147 58.200 -0.117 0.000 1.260 96 S CB 1.492 64.703 63.200 0.019 0.000 1.270 96 S HN 0.083 nan 8.310 nan 0.000 0.416 97 P HA -0.216 nan 4.420 nan 0.000 0.219 97 P C 1.055 178.329 177.300 -0.043 0.000 1.161 97 P CA 1.535 64.591 63.100 -0.074 0.000 0.909 97 P CB 0.144 31.816 31.700 -0.048 0.000 0.793 98 K N -1.013 119.373 120.400 -0.023 0.000 2.486 98 K HA 0.095 4.415 4.320 0.000 0.000 0.194 98 K C 0.722 177.328 176.600 0.011 0.000 1.033 98 K CA 0.235 56.519 56.287 -0.005 0.000 1.004 98 K CB -0.128 32.371 32.500 -0.002 0.000 0.798 98 K HN 0.149 nan 8.250 nan 0.000 0.495 99 S N 0.422 116.134 115.700 0.020 0.000 2.603 99 S HA 0.102 4.572 4.470 0.000 0.000 0.268 99 S C 0.266 174.918 174.600 0.087 0.000 1.317 99 S CA -0.329 57.908 58.200 0.062 0.000 1.012 99 S CB 1.587 64.878 63.200 0.152 0.000 0.926 99 S HN 0.131 nan 8.310 nan 0.000 0.539 100 T N 0.019 114.634 114.554 0.101 0.000 2.905 100 T HA 0.763 5.113 4.350 0.000 0.000 0.283 100 T C 0.055 174.866 174.700 0.184 0.000 1.031 100 T CA -0.273 61.907 62.100 0.133 0.000 1.002 100 T CB 1.162 70.124 68.868 0.157 0.000 1.200 100 T HN 0.721 nan 8.240 nan 0.000 0.560 101 G N 0.055 108.982 108.800 0.211 0.000 2.798 101 G HA2 0.534 4.494 3.960 0.000 0.000 0.286 101 G HA3 0.534 4.494 3.960 0.000 0.000 0.286 101 G C 0.342 175.397 174.900 0.258 0.000 1.389 101 G CA -0.771 44.483 45.100 0.256 0.000 0.894 101 G HN 0.742 nan 8.290 nan 0.000 0.488 102 L N -0.204 121.177 121.223 0.263 0.000 2.465 102 L HA 0.035 4.375 4.340 0.000 0.000 0.224 102 L C 1.435 178.227 176.870 -0.131 0.000 1.145 102 L CA 0.695 55.616 54.840 0.134 0.000 0.834 102 L CB -0.368 41.871 42.059 0.301 0.000 0.944 102 L HN 0.720 nan 8.230 nan 0.000 0.451 103 N N -1.501 117.182 118.700 -0.029 0.000 2.721 103 N HA -0.287 4.453 4.740 0.000 0.000 0.249 103 N C 0.479 175.890 175.510 -0.165 0.000 1.072 103 N CA 0.487 53.484 53.050 -0.089 0.000 0.710 103 N CB -1.312 37.135 38.487 -0.066 0.000 0.993 103 N HN 0.356 nan 8.380 nan 0.000 0.547 104 Y N -0.475 119.801 120.300 -0.039 0.000 2.395 104 Y HA 0.233 4.783 4.550 0.000 0.000 0.293 104 Y C 1.059 176.917 175.900 -0.070 0.000 1.123 104 Y CA 0.739 58.862 58.100 0.038 0.000 1.227 104 Y CB 0.377 38.930 38.460 0.155 0.000 1.012 104 Y HN 0.251 nan 8.280 nan 0.000 0.552 105 I N 1.533 121.925 120.570 -0.295 0.000 2.382 105 I HA 0.082 4.252 4.170 0.000 0.000 0.286 105 I C -0.463 175.440 176.117 -0.357 0.000 1.002 105 I CA -0.727 60.218 61.300 -0.590 0.000 1.135 105 I CB 1.265 38.383 38.000 -1.470 0.000 1.288 105 I HN 0.093 nan 8.210 nan 0.000 0.448 106 D N 7.356 127.690 120.400 -0.110 0.000 2.841 106 D HA 0.014 4.654 4.640 0.000 0.000 0.244 106 D C -0.447 175.955 176.300 0.171 0.000 1.228 106 D CA 0.006 54.022 54.000 0.027 0.000 0.872 106 D CB -0.400 40.442 40.800 0.071 0.000 1.082 106 D HN 0.274 nan 8.370 nan 0.000 0.457 107 F N -2.073 117.918 119.950 0.069 0.000 2.662 107 F HA 0.603 5.130 4.527 0.000 0.000 0.312 107 F C -0.934 174.947 175.800 0.135 0.000 1.113 107 F CA -1.480 56.572 58.000 0.088 0.000 0.951 107 F CB 1.148 40.194 39.000 0.076 0.000 1.344 107 F HN -0.374 nan 8.300 nan 0.000 0.462 108 K N 1.658 122.251 120.400 0.323 0.000 2.098 108 K HA 0.612 4.932 4.320 0.000 0.000 0.258 108 K C -1.210 175.442 176.600 0.087 0.000 0.973 108 K CA -0.919 55.423 56.287 0.092 0.000 0.898 108 K CB 1.953 34.456 32.500 0.006 0.000 1.057 108 K HN 0.558 nan 8.250 nan 0.000 0.447 109 L N 1.483 122.608 121.223 -0.164 0.000 2.397 109 L HA 0.128 4.468 4.340 0.000 0.000 0.271 109 L C 0.381 177.210 176.870 -0.068 0.000 1.148 109 L CA 0.395 55.124 54.840 -0.186 0.000 0.825 109 L CB 1.060 42.919 42.059 -0.333 0.000 1.117 109 L HN 0.738 nan 8.230 nan 0.000 0.456 110 S N 1.987 117.670 115.700 -0.028 0.000 2.671 110 S HA 0.668 5.138 4.470 0.000 0.000 0.299 110 S C -0.517 174.056 174.600 -0.046 0.000 1.116 110 S CA -1.115 57.099 58.200 0.023 0.000 0.912 110 S CB 1.614 64.800 63.200 -0.023 0.000 1.130 110 S HN 0.538 nan 8.310 nan 0.000 0.501 111 R N 0.038 120.494 120.500 -0.073 0.000 2.441 111 R HA 0.406 4.746 4.340 0.000 0.000 0.284 111 R C -0.885 175.220 176.300 -0.326 0.000 1.070 111 R CA -0.555 55.284 56.100 -0.436 0.000 1.047 111 R CB 0.222 30.263 30.300 -0.432 0.000 1.016 111 R HN 0.671 nan 8.270 nan 0.000 0.477 112 F N 1.530 121.267 119.950 -0.355 0.000 2.545 112 F HA -0.081 4.446 4.527 0.000 0.000 0.348 112 F C 1.128 176.792 175.800 -0.227 0.000 1.163 112 F CA 0.127 57.970 58.000 -0.261 0.000 1.331 112 F CB 0.434 39.274 39.000 -0.266 0.000 1.138 112 F HN 0.517 nan 8.300 nan 0.000 0.602 113 D N 2.337 122.771 120.400 0.056 0.000 2.339 113 D HA 0.002 4.642 4.640 0.000 0.000 0.256 113 D C 0.359 176.590 176.300 -0.115 0.000 1.214 113 D CA -0.391 53.581 54.000 -0.047 0.000 0.877 113 D CB 0.544 41.316 40.800 -0.047 0.000 1.111 113 D HN 0.437 nan 8.370 nan 0.000 0.478 114 D N 1.013 121.344 120.400 -0.116 0.000 2.340 114 D HA -0.113 4.527 4.640 0.000 0.000 0.220 114 D C 1.366 177.583 176.300 -0.140 0.000 1.039 114 D CA 0.315 54.225 54.000 -0.150 0.000 0.866 114 D CB -0.240 40.483 40.800 -0.130 0.000 0.913 114 D HN 0.243 nan 8.370 nan 0.000 0.523 115 S N 0.558 116.191 115.700 -0.112 0.000 2.428 115 S HA -0.180 4.290 4.470 0.000 0.000 0.230 115 S C 1.679 176.224 174.600 -0.092 0.000 1.014 115 S CA 0.892 59.041 58.200 -0.085 0.000 0.957 115 S CB -0.467 62.697 63.200 -0.060 0.000 0.784 115 S HN 0.565 nan 8.310 nan 0.000 0.499 116 E N 1.301 121.422 120.200 -0.133 0.000 2.413 116 E HA 0.232 4.582 4.350 0.000 0.000 0.203 116 E C 0.500 176.968 176.600 -0.220 0.000 0.957 116 E CA -0.272 56.055 56.400 -0.121 0.000 0.950 116 E CB 0.048 29.685 29.700 -0.106 0.000 0.957 116 E HN 0.700 nan 8.360 nan 0.000 0.497 117 K N -0.060 120.079 120.400 -0.436 0.000 2.522 117 K HA 0.511 4.831 4.320 0.000 0.000 0.275 117 K C -3.269 172.999 176.600 -0.554 0.000 1.006 117 K CA -2.468 53.299 56.287 -0.867 0.000 0.890 117 K CB 1.503 33.151 32.500 -1.421 0.000 1.475 117 K HN -0.296 nan 8.250 nan 0.000 0.441 118 P HA 0.234 nan 4.420 nan 0.000 0.279 118 P C -1.081 176.119 177.300 -0.166 0.000 1.239 118 P CA -0.565 62.390 63.100 -0.242 0.000 0.789 118 P CB 1.063 32.672 31.700 -0.151 0.000 0.933 119 V N 4.986 124.814 119.914 -0.144 0.000 2.588 119 V HA 0.403 4.523 4.120 0.000 0.000 0.304 119 V C -2.067 173.949 176.094 -0.130 0.000 1.042 119 V CA -2.087 60.135 62.300 -0.129 0.000 0.877 119 V CB 2.007 33.749 31.823 -0.135 0.000 0.996 119 V HN 0.564 nan 8.190 nan 0.000 0.425 120 P HA 0.097 nan 4.420 nan 0.000 0.271 120 P C -0.548 176.608 177.300 -0.240 0.000 1.233 120 P CA -0.244 62.756 63.100 -0.166 0.000 0.789 120 P CB 0.991 32.621 31.700 -0.117 0.000 0.951 121 E N 1.229 121.164 120.200 -0.443 0.000 2.223 121 E HA 0.307 4.657 4.350 0.000 0.000 0.282 121 E C -0.818 175.531 176.600 -0.418 0.000 1.046 121 E CA -0.356 55.572 56.400 -0.787 0.000 0.857 121 E CB -0.016 28.804 29.700 -1.467 0.000 1.055 121 E HN 0.321 nan 8.360 nan 0.000 0.409 122 I N 4.855 125.231 120.570 -0.324 0.000 2.468 122 I HA 0.558 4.728 4.170 0.000 0.000 0.284 122 I C 0.193 176.213 176.117 -0.162 0.000 1.038 122 I CA -0.499 60.669 61.300 -0.220 0.000 1.083 122 I CB 1.547 39.506 38.000 -0.067 0.000 1.223 122 I HN 0.782 nan 8.210 nan 0.000 0.443 123 G N 4.660 113.281 108.800 -0.299 0.000 2.356 123 G HA2 0.140 4.100 3.960 0.000 0.000 0.288 123 G HA3 0.140 4.100 3.960 0.000 0.000 0.288 123 G C -2.472 172.355 174.900 -0.123 0.000 1.302 123 G CA -0.957 44.113 45.100 -0.050 0.000 0.887 123 G HN 0.340 nan 8.290 nan 0.000 0.521 124 W N 1.743 123.142 121.300 0.165 0.000 2.311 124 W HA 0.683 5.343 4.660 0.000 0.000 0.317 124 W C 0.302 176.877 176.519 0.094 0.000 1.065 124 W CA -0.584 56.875 57.345 0.190 0.000 1.364 124 W CB 1.184 30.724 29.460 0.133 0.000 1.233 124 W HN 0.533 nan 8.180 nan 0.000 0.409 125 N N 1.175 120.052 118.700 0.295 0.000 2.525 125 N HA 0.540 5.280 4.740 0.000 0.000 0.288 125 N C -0.695 174.931 175.510 0.193 0.000 1.242 125 N CA -0.406 52.683 53.050 0.066 0.000 0.905 125 N CB 1.899 40.169 38.487 -0.363 0.000 1.258 125 N HN 0.294 nan 8.380 nan 0.000 0.551 126 S N -0.887 114.857 115.700 0.073 0.000 2.634 126 S HA 0.584 5.054 4.470 0.000 0.000 0.296 126 S C -0.575 174.094 174.600 0.115 0.000 1.104 126 S CA -0.726 57.542 58.200 0.113 0.000 0.920 126 S CB 0.558 63.740 63.200 -0.030 0.000 1.111 126 S HN 0.524 nan 8.310 nan 0.000 0.493 127 C N 1.918 121.303 119.300 0.142 0.000 2.452 127 C HA 0.467 4.927 4.460 0.000 0.000 0.379 127 C C 0.704 175.703 174.990 0.014 0.000 1.275 127 C CA -0.798 58.273 59.018 0.087 0.000 2.056 127 C CB -1.105 26.692 27.740 0.095 0.000 2.506 127 C HN 0.742 nan 8.230 nan 0.000 0.560 128 I N 5.156 125.736 120.570 0.016 0.000 2.556 128 I HA 0.139 4.309 4.170 0.000 0.000 0.284 128 I C -1.820 174.289 176.117 -0.012 0.000 1.114 128 I CA -1.144 60.164 61.300 0.014 0.000 1.418 128 I CB 0.356 38.371 38.000 0.026 0.000 1.394 128 I HN 0.404 nan 8.210 nan 0.000 0.552 129 P HA -0.016 nan 4.420 nan 0.000 0.262 129 P C -0.616 176.695 177.300 0.019 0.000 1.182 129 P CA 0.383 63.471 63.100 -0.020 0.000 0.761 129 P CB 0.584 32.279 31.700 -0.009 0.000 0.795 130 S N 1.583 117.299 115.700 0.028 0.000 2.596 130 S HA 0.242 4.712 4.470 0.000 0.000 0.270 130 S C 0.556 175.187 174.600 0.052 0.000 1.155 130 S CA -0.640 57.587 58.200 0.044 0.000 0.827 130 S CB 1.093 64.323 63.200 0.049 0.000 1.130 130 S HN 0.281 nan 8.310 nan 0.000 0.467 131 E N 1.282 121.519 120.200 0.062 0.000 2.299 131 E HA 0.098 4.448 4.350 0.000 0.000 0.193 131 E C 0.146 176.789 176.600 0.073 0.000 0.998 131 E CA 0.362 56.799 56.400 0.062 0.000 0.851 131 E CB -0.062 29.673 29.700 0.058 0.000 0.795 131 E HN 0.488 nan 8.360 nan 0.000 0.492 132 N N 0.998 119.756 118.700 0.096 0.000 2.320 132 N HA 0.130 4.871 4.740 0.000 0.000 0.237 132 N C 0.237 175.866 175.510 0.198 0.000 1.129 132 N CA 0.042 53.183 53.050 0.153 0.000 0.854 132 N CB 0.719 39.317 38.487 0.185 0.000 1.083 132 N HN 0.117 nan 8.380 nan 0.000 0.504 133 L N 0.773 122.025 121.223 0.047 0.000 2.464 133 L HA 0.300 4.640 4.340 0.000 0.000 0.264 133 L C -0.011 176.802 176.870 -0.095 0.000 1.199 133 L CA -0.122 54.610 54.840 -0.180 0.000 0.818 133 L CB 0.231 42.207 42.059 -0.140 0.000 1.102 133 L HN 0.048 nan 8.230 nan 0.000 0.473 134 F N -2.007 117.970 119.950 0.046 0.000 2.685 134 F HA 0.496 5.023 4.527 0.000 0.000 0.315 134 F C -0.131 175.641 175.800 -0.046 0.000 1.126 134 F CA -1.689 56.245 58.000 -0.111 0.000 0.950 134 F CB 0.382 39.278 39.000 -0.173 0.000 1.360 134 F HN 0.300 nan 8.300 nan 0.000 0.469 135 F N 1.036 121.037 119.950 0.086 0.000 3.082 135 F HA -0.032 4.495 4.527 0.000 0.000 0.272 135 F C 1.479 177.303 175.800 0.040 0.000 0.936 135 F CA 1.305 59.283 58.000 -0.038 0.000 0.920 135 F CB -1.479 37.309 39.000 -0.353 0.000 0.901 135 F HN 1.358 nan 8.300 nan 0.000 0.695 136 G N -0.221 108.662 108.800 0.138 0.000 2.148 136 G HA2 -0.339 3.621 3.960 0.000 0.000 0.254 136 G HA3 -0.339 3.621 3.960 0.000 0.000 0.254 136 G C 0.216 175.227 174.900 0.185 0.000 0.981 136 G CA -0.029 45.163 45.100 0.154 0.000 0.670 136 G HN 0.482 nan 8.290 nan 0.000 0.528 137 L N 1.260 122.558 121.223 0.126 0.000 2.597 137 L HA 0.232 4.572 4.340 0.000 0.000 0.271 137 L C 0.209 177.176 176.870 0.162 0.000 1.157 137 L CA -0.050 54.865 54.840 0.125 0.000 0.928 137 L CB 0.450 42.474 42.059 -0.058 0.000 1.216 137 L HN 0.134 nan 8.230 nan 0.000 0.481 138 D N 6.181 126.759 120.400 0.296 0.000 2.349 138 D HA 0.243 4.883 4.640 0.000 0.000 0.232 138 D C -1.742 174.651 176.300 0.154 0.000 1.071 138 D CA -2.164 51.984 54.000 0.246 0.000 0.832 138 D CB 2.065 43.042 40.800 0.294 0.000 1.086 138 D HN 0.149 nan 8.370 nan 0.000 0.504 139 P HA -0.078 nan 4.420 nan 0.000 0.223 139 P C 0.221 177.221 177.300 -0.500 0.000 1.144 139 P CA 0.997 63.932 63.100 -0.274 0.000 0.783 139 P CB -0.015 31.413 31.700 -0.454 0.000 0.771 140 Y N -1.252 119.016 120.300 -0.054 0.000 2.493 140 Y HA 0.231 4.781 4.550 0.000 0.000 0.275 140 Y C 1.068 176.867 175.900 -0.169 0.000 1.183 140 Y CA -0.086 57.885 58.100 -0.214 0.000 1.258 140 Y CB 0.062 38.167 38.460 -0.592 0.000 1.108 140 Y HN -0.165 nan 8.280 nan 0.000 0.521 141 K N 0.175 120.544 120.400 -0.051 0.000 2.346 141 K HA 0.608 4.928 4.320 0.000 0.000 0.238 141 K C -0.430 176.008 176.600 -0.271 0.000 1.039 141 K CA -1.178 55.019 56.287 -0.150 0.000 0.861 141 K CB 1.843 34.244 32.500 -0.165 0.000 1.278 141 K HN -0.161 nan 8.250 nan 0.000 0.460 142 R N 0.933 121.222 120.500 -0.351 0.000 2.750 142 R HA 0.435 4.775 4.340 0.000 0.000 0.281 142 R C -1.148 174.981 176.300 -0.286 0.000 0.972 142 R CA -0.700 55.301 56.100 -0.164 0.000 0.912 142 R CB 1.149 31.520 30.300 0.119 0.000 1.187 142 R HN 0.580 nan 8.270 nan 0.000 0.464 143 Y N 0.095 120.547 120.300 0.255 0.000 2.536 143 Y HA 0.312 4.862 4.550 0.000 0.000 0.347 143 Y C -0.374 175.466 175.900 -0.101 0.000 1.000 143 Y CA -1.108 56.934 58.100 -0.096 0.000 1.051 143 Y CB 1.688 39.509 38.460 -1.065 0.000 1.259 143 Y HN 0.446 nan 8.280 nan 0.000 0.468 144 Y N 2.799 122.791 120.300 -0.513 0.000 2.365 144 Y HA 0.471 5.021 4.550 0.000 0.000 0.340 144 Y C -1.569 174.153 175.900 -0.297 0.000 1.016 144 Y CA -1.075 56.561 58.100 -0.773 0.000 1.196 144 Y CB 0.069 37.844 38.460 -1.141 0.000 1.167 144 Y HN 0.408 nan 8.280 nan 0.000 0.509 145 F N 5.053 124.612 119.950 -0.651 0.000 2.480 145 F HA 0.585 5.112 4.527 0.000 0.000 0.329 145 F C -0.524 174.908 175.800 -0.613 0.000 1.091 145 F CA -1.089 56.692 58.000 -0.366 0.000 0.972 145 F CB 1.881 40.854 39.000 -0.045 0.000 1.150 145 F HN 0.202 nan 8.300 nan 0.000 0.467 146 V N 4.562 124.431 119.914 -0.074 0.000 2.722 146 V HA 0.460 4.580 4.120 0.000 0.000 0.260 146 V C -1.599 174.606 176.094 0.186 0.000 0.941 146 V CA -0.031 62.229 62.300 -0.066 0.000 0.888 146 V CB 0.226 31.966 31.823 -0.138 0.000 1.059 146 V HN 1.012 nan 8.190 nan 0.000 0.486 147 H N 1.499 120.544 119.070 -0.043 0.000 3.068 147 H HA 0.606 5.162 4.556 0.000 0.000 0.342 147 H C -0.295 175.034 175.328 0.002 0.000 1.284 147 H CA -0.248 55.807 56.048 0.012 0.000 1.181 147 H CB 1.725 31.506 29.762 0.033 0.000 1.898 147 H HN -0.021 nan 8.280 nan 0.000 0.540 148 S N 0.673 116.317 115.700 -0.093 0.000 2.497 148 S HA 0.208 4.678 4.470 0.000 0.000 0.221 148 S C -0.370 173.779 174.600 -0.752 0.000 1.037 148 S CA 0.031 57.992 58.200 -0.398 0.000 0.920 148 S CB 0.189 63.069 63.200 -0.534 0.000 0.800 148 S HN 0.357 nan 8.310 nan 0.000 0.505 149 F N 1.172 121.008 119.950 -0.190 0.000 2.492 149 F HA 0.811 5.338 4.527 0.000 0.000 0.327 149 F C 0.229 175.848 175.800 -0.302 0.000 1.079 149 F CA -0.950 56.873 58.000 -0.295 0.000 0.967 149 F CB 1.456 40.337 39.000 -0.198 0.000 1.169 149 F HN 0.005 nan 8.300 nan 0.000 0.472 150 A N 0.710 123.327 122.820 -0.339 0.000 2.599 150 A HA 0.811 5.131 4.320 0.000 0.000 0.290 150 A C -1.600 175.849 177.584 -0.226 0.000 1.101 150 A CA -0.699 51.164 52.037 -0.290 0.000 0.674 150 A CB 0.749 19.396 19.000 -0.588 0.000 1.277 150 A HN 1.050 nan 8.150 nan 0.000 0.419 151 A N 1.271 124.021 122.820 -0.117 0.000 2.807 151 A HA 0.564 4.884 4.320 0.000 0.000 0.307 151 A C -0.090 177.629 177.584 0.224 0.000 1.532 151 A CA -0.110 51.945 52.037 0.030 0.000 1.215 151 A CB -1.103 17.819 19.000 -0.131 0.000 1.127 151 A HN 0.599 nan 8.150 nan 0.000 0.543 152 I N 3.002 123.643 120.570 0.118 0.000 2.471 152 I HA 0.115 4.285 4.170 0.000 0.000 0.286 152 I C 0.015 176.165 176.117 0.056 0.000 1.079 152 I CA 0.212 61.575 61.300 0.104 0.000 1.398 152 I CB 0.733 38.732 38.000 -0.002 0.000 1.403 152 I HN 0.478 nan 8.210 nan 0.000 0.530 153 L N 6.788 128.067 121.223 0.093 0.000 2.387 153 L HA 0.496 4.836 4.340 0.000 0.000 0.266 153 L C -0.239 176.625 176.870 -0.009 0.000 1.059 153 L CA -0.647 54.207 54.840 0.023 0.000 0.801 153 L CB 1.288 43.396 42.059 0.083 0.000 1.223 153 L HN 0.716 nan 8.230 nan 0.000 0.456 154 N N -1.787 116.888 118.700 -0.041 0.000 2.972 154 N HA 0.268 5.008 4.740 0.000 0.000 0.262 154 N C -0.144 175.353 175.510 -0.022 0.000 1.478 154 N CA -0.808 52.222 53.050 -0.033 0.000 0.841 154 N CB 0.899 39.353 38.487 -0.056 0.000 1.512 154 N HN 0.277 nan 8.380 nan 0.000 0.548 155 S N -0.421 115.270 115.700 -0.014 0.000 2.359 155 S HA -0.199 4.271 4.470 0.000 0.000 0.224 155 S C 1.289 175.888 174.600 -0.002 0.000 1.035 155 S CA 1.571 59.770 58.200 -0.001 0.000 1.018 155 S CB -0.491 62.710 63.200 0.000 0.000 0.876 155 S HN 0.709 nan 8.310 nan 0.000 0.448 156 E N 0.995 121.184 120.200 -0.019 0.000 2.038 156 E HA -0.205 4.145 4.350 0.000 0.000 0.195 156 E C 2.017 178.605 176.600 -0.021 0.000 1.000 156 E CA 1.214 57.602 56.400 -0.019 0.000 0.803 156 E CB -0.029 29.650 29.700 -0.034 0.000 0.750 156 E HN 0.391 nan 8.360 nan 0.000 0.448 157 K N 0.307 120.666 120.400 -0.069 0.000 2.026 157 K HA -0.146 4.174 4.320 0.000 0.000 0.208 157 K C 2.239 178.860 176.600 0.035 0.000 1.048 157 K CA 1.448 57.686 56.287 -0.082 0.000 0.929 157 K CB -0.064 32.262 32.500 -0.290 0.000 0.713 157 K HN 0.048 nan 8.250 nan 0.000 0.439 158 K N 0.920 121.345 120.400 0.042 0.000 2.147 158 K HA -0.168 4.152 4.320 0.000 0.000 0.205 158 K C 2.074 178.731 176.600 0.095 0.000 1.049 158 K CA 1.303 57.641 56.287 0.086 0.000 0.936 158 K CB -0.030 32.514 32.500 0.072 0.000 0.722 158 K HN 0.015 nan 8.250 nan 0.000 0.446 159 K N 0.673 121.115 120.400 0.070 0.000 2.062 159 K HA -0.035 4.285 4.320 0.000 0.000 0.205 159 K C 1.818 178.471 176.600 0.089 0.000 1.051 159 K CA 1.097 57.427 56.287 0.072 0.000 0.941 159 K CB 0.081 32.611 32.500 0.050 0.000 0.719 159 K HN 0.059 nan 8.250 nan 0.000 0.440 160 N N 0.746 119.499 118.700 0.087 0.000 2.120 160 N HA -0.145 4.595 4.740 0.000 0.000 0.188 160 N C 1.736 177.340 175.510 0.156 0.000 1.024 160 N CA 1.115 54.229 53.050 0.107 0.000 0.852 160 N CB -0.270 38.275 38.487 0.096 0.000 1.003 160 N HN 0.108 nan 8.380 nan 0.000 0.424 161 L N 0.815 122.140 121.223 0.170 0.000 2.079 161 L HA -0.178 4.162 4.340 0.000 0.000 0.210 161 L C 2.446 179.493 176.870 0.294 0.000 1.081 161 L CA 1.180 56.160 54.840 0.233 0.000 0.752 161 L CB -0.358 41.799 42.059 0.163 0.000 0.896 161 L HN 0.145 nan 8.230 nan 0.000 0.433 162 E N 0.655 120.976 120.200 0.201 0.000 2.031 162 E HA -0.215 4.135 4.350 0.000 0.000 0.193 162 E C 1.914 178.598 176.600 0.140 0.000 0.994 162 E CA 1.563 58.063 56.400 0.166 0.000 0.800 162 E CB -0.037 29.737 29.700 0.123 0.000 0.752 162 E HN 0.338 nan 8.360 nan 0.000 0.447 163 N N 0.556 119.330 118.700 0.122 0.000 2.381 163 N HA -0.133 4.607 4.740 0.000 0.000 0.182 163 N C 0.785 176.359 175.510 0.106 0.000 1.025 163 N CA 1.253 54.360 53.050 0.095 0.000 0.888 163 N CB -0.266 38.269 38.487 0.081 0.000 0.965 163 N HN 0.256 nan 8.380 nan 0.000 0.438 164 D N -0.747 119.754 120.400 0.168 0.000 2.349 164 D HA 0.118 4.758 4.640 0.000 0.000 0.224 164 D C 0.996 177.353 176.300 0.095 0.000 1.029 164 D CA 0.578 54.696 54.000 0.196 0.000 0.879 164 D CB -0.071 40.955 40.800 0.377 0.000 0.906 164 D HN 0.320 nan 8.370 nan 0.000 0.528 165 G N -0.540 108.303 108.800 0.071 0.000 2.157 165 G HA2 -0.257 3.703 3.960 0.000 0.000 0.248 165 G HA3 -0.257 3.703 3.960 0.000 0.000 0.248 165 G C -0.189 174.637 174.900 -0.123 0.000 0.979 165 G CA -0.180 44.886 45.100 -0.056 0.000 0.650 165 G HN 0.184 nan 8.290 nan 0.000 0.529 166 W N 1.052 122.363 121.300 0.018 0.000 2.316 166 W HA 0.660 5.320 4.660 0.000 0.000 0.321 166 W C 0.745 177.289 176.519 0.042 0.000 1.203 166 W CA -0.558 56.793 57.345 0.010 0.000 1.214 166 W CB 0.836 30.310 29.460 0.022 0.000 1.169 166 W HN -0.063 nan 8.180 nan 0.000 0.561 167 K N 3.675 124.229 120.400 0.257 0.000 2.213 167 K HA 0.446 4.766 4.320 0.000 0.000 0.270 167 K C -0.700 176.161 176.600 0.434 0.000 1.002 167 K CA -0.735 55.717 56.287 0.274 0.000 0.868 167 K CB 1.194 33.783 32.500 0.148 0.000 1.093 167 K HN 0.170 nan 8.250 nan 0.000 0.454 168 I N 2.407 123.254 120.570 0.462 0.000 2.406 168 I HA 0.284 4.454 4.170 0.000 0.000 0.290 168 I C -0.120 176.226 176.117 0.381 0.000 0.999 168 I CA -0.822 60.737 61.300 0.432 0.000 1.124 168 I CB 1.492 39.659 38.000 0.278 0.000 1.289 168 I HN 0.619 nan 8.210 nan 0.000 0.441 169 A N 7.647 130.692 122.820 0.376 0.000 2.260 169 A HA 0.542 4.862 4.320 0.000 0.000 0.312 169 A C 0.088 177.739 177.584 0.113 0.000 1.321 169 A CA -0.601 51.518 52.037 0.135 0.000 0.928 169 A CB 0.328 19.348 19.000 0.033 0.000 1.158 169 A HN 0.684 nan 8.150 nan 0.000 0.542 170 K N 1.140 121.568 120.400 0.046 0.000 2.095 170 K HA 0.775 5.095 4.320 0.000 0.000 0.252 170 K C -0.255 176.267 176.600 -0.129 0.000 0.977 170 K CA -0.379 55.883 56.287 -0.042 0.000 0.900 170 K CB 2.045 34.539 32.500 -0.009 0.000 1.060 170 K HN 0.751 nan 8.250 nan 0.000 0.449 171 A N 1.480 124.077 122.820 -0.372 0.000 2.587 171 A HA 0.564 4.884 4.320 0.000 0.000 0.293 171 A C -1.561 175.818 177.584 -0.341 0.000 1.087 171 A CA -0.747 51.041 52.037 -0.416 0.000 0.692 171 A CB 1.693 20.271 19.000 -0.704 0.000 1.291 171 A HN 0.664 nan 8.150 nan 0.000 0.407 172 K N 0.548 120.985 120.400 0.061 0.000 2.443 172 K HA 0.551 4.871 4.320 0.000 0.000 0.252 172 K C -2.295 174.583 176.600 0.463 0.000 0.933 172 K CA -0.462 55.968 56.287 0.239 0.000 0.792 172 K CB 1.533 33.997 32.500 -0.059 0.000 1.185 172 K HN 0.691 nan 8.250 nan 0.000 0.425 173 Y N 4.414 124.876 120.300 0.269 0.000 2.338 173 Y HA 0.436 4.986 4.550 0.000 0.000 0.328 173 Y C 0.362 176.234 175.900 -0.047 0.000 0.965 173 Y CA 0.302 58.405 58.100 0.005 0.000 1.208 173 Y CB 1.004 39.187 38.460 -0.462 0.000 1.132 173 Y HN 0.960 nan 8.280 nan 0.000 0.469 174 G N 3.487 112.198 108.800 -0.147 0.000 2.543 174 G HA2 -0.337 3.623 3.960 0.000 0.000 0.286 174 G HA3 -0.337 3.623 3.960 0.000 0.000 0.286 174 G C 0.829 175.687 174.900 -0.069 0.000 1.153 174 G CA 0.740 45.745 45.100 -0.157 0.000 0.968 174 G HN 1.449 nan 8.290 nan 0.000 0.544 175 S N 0.404 116.052 115.700 -0.087 0.000 2.539 175 S HA 0.428 4.898 4.470 0.000 0.000 0.221 175 S C 0.419 175.009 174.600 -0.016 0.000 0.987 175 S CA 0.895 59.059 58.200 -0.060 0.000 0.929 175 S CB 0.471 63.640 63.200 -0.051 0.000 0.832 175 S HN 0.681 nan 8.310 nan 0.000 0.492 176 E N 1.668 121.891 120.200 0.038 0.000 2.174 176 E HA 0.326 4.676 4.350 0.000 0.000 0.282 176 E C -0.818 175.960 176.600 0.296 0.000 0.992 176 E CA -0.260 56.237 56.400 0.161 0.000 0.803 176 E CB 1.132 30.982 29.700 0.250 0.000 1.090 176 E HN 0.428 nan 8.360 nan 0.000 0.396 177 E N 2.836 123.173 120.200 0.228 0.000 2.216 177 E HA 0.376 4.726 4.350 0.000 0.000 0.279 177 E C -0.954 175.854 176.600 0.346 0.000 0.997 177 E CA -0.407 56.123 56.400 0.217 0.000 0.817 177 E CB 0.778 30.523 29.700 0.076 0.000 1.096 177 E HN 0.325 nan 8.360 nan 0.000 0.393 178 F N 0.425 120.484 119.950 0.183 0.000 2.692 178 F HA 0.560 5.087 4.527 0.000 0.000 0.320 178 F C -0.982 174.939 175.800 0.201 0.000 1.123 178 F CA -1.335 56.775 58.000 0.183 0.000 0.961 178 F CB 0.615 39.746 39.000 0.220 0.000 1.383 178 F HN 0.167 nan 8.300 nan 0.000 0.483 179 I N 2.295 123.030 120.570 0.275 0.000 2.379 179 I HA 0.314 4.484 4.170 0.000 0.000 0.290 179 I C 0.761 177.004 176.117 0.211 0.000 1.063 179 I CA -0.137 61.278 61.300 0.192 0.000 1.351 179 I CB 1.412 39.574 38.000 0.271 0.000 1.410 179 I HN 0.933 nan 8.210 nan 0.000 0.505 180 A N 5.608 128.494 122.820 0.109 0.000 1.997 180 A HA 0.618 4.938 4.320 0.000 0.000 0.212 180 A C 0.931 178.631 177.584 0.194 0.000 1.178 180 A CA 0.806 53.030 52.037 0.310 0.000 0.698 180 A CB 0.206 19.418 19.000 0.354 0.000 0.842 180 A HN 0.773 nan 8.150 nan 0.000 0.458 181 A N -1.185 121.759 122.820 0.208 0.000 2.605 181 A HA 0.567 4.887 4.320 0.000 0.000 0.294 181 A C -0.824 177.031 177.584 0.452 0.000 1.062 181 A CA 0.092 52.267 52.037 0.230 0.000 0.682 181 A CB 0.624 19.832 19.000 0.347 0.000 1.278 181 A HN 1.348 nan 8.150 nan 0.000 0.410 182 V N -0.721 119.406 119.914 0.354 0.000 3.001 182 V HA 0.903 5.023 4.120 0.000 0.000 0.314 182 V C -0.502 175.692 176.094 0.166 0.000 1.099 182 V CA -0.732 61.761 62.300 0.323 0.000 0.989 182 V CB 2.020 33.955 31.823 0.187 0.000 1.040 182 V HN 1.068 nan 8.190 nan 0.000 0.434 183 N N 1.679 120.369 118.700 -0.017 0.000 2.537 183 N HA 0.400 5.140 4.740 0.000 0.000 0.281 183 N C -1.850 173.547 175.510 -0.187 0.000 1.097 183 N CA -0.536 52.366 53.050 -0.245 0.000 0.964 183 N CB 2.131 39.963 38.487 -1.092 0.000 1.588 183 N HN 0.964 nan 8.380 nan 0.000 0.511 184 K N 3.741 123.965 120.400 -0.294 0.000 2.553 184 K HA 0.262 4.582 4.320 0.000 0.000 0.250 184 K C 0.001 176.373 176.600 -0.380 0.000 0.953 184 K CA -0.320 55.633 56.287 -0.557 0.000 0.800 184 K CB 0.820 32.457 32.500 -1.438 0.000 1.243 184 K HN 0.762 nan 8.250 nan 0.000 0.435 185 N N 1.801 120.342 118.700 -0.265 0.000 1.414 185 N HA -0.345 4.395 4.740 0.000 0.000 0.142 185 N C 0.431 175.896 175.510 -0.076 0.000 0.587 185 N CA 2.254 55.205 53.050 -0.165 0.000 1.068 185 N CB -1.147 37.229 38.487 -0.186 0.000 1.317 185 N HN 0.930 nan 8.380 nan 0.000 0.463 186 N N 2.035 120.700 118.700 -0.059 0.000 2.336 186 N HA 0.110 4.850 4.740 0.000 0.000 0.189 186 N C 0.293 175.865 175.510 0.104 0.000 1.113 186 N CA 0.260 53.334 53.050 0.041 0.000 0.858 186 N CB 0.200 38.692 38.487 0.008 0.000 0.970 186 N HN 0.569 nan 8.380 nan 0.000 0.471 187 I N 1.221 121.798 120.570 0.012 0.000 2.342 187 I HA 0.269 4.439 4.170 0.000 0.000 0.291 187 I C -0.954 175.258 176.117 0.159 0.000 1.010 187 I CA -0.729 60.593 61.300 0.037 0.000 1.308 187 I CB 0.702 38.653 38.000 -0.083 0.000 1.400 187 I HN -0.123 nan 8.210 nan 0.000 0.488 188 F N 6.528 126.436 119.950 -0.069 0.000 2.565 188 F HA 0.827 5.355 4.527 0.000 0.000 0.313 188 F C -0.965 174.696 175.800 -0.231 0.000 1.091 188 F CA -0.943 56.974 58.000 -0.138 0.000 0.915 188 F CB 1.752 40.573 39.000 -0.299 0.000 1.208 188 F HN 0.469 nan 8.300 nan 0.000 0.453 189 A N 2.553 124.920 122.820 -0.755 0.000 2.577 189 A HA 0.681 5.001 4.320 0.000 0.000 0.297 189 A C -1.203 175.898 177.584 -0.805 0.000 1.060 189 A CA -0.250 51.327 52.037 -0.767 0.000 0.697 189 A CB 1.247 20.046 19.000 -0.335 0.000 1.281 189 A HN 1.086 nan 8.150 nan 0.000 0.402 190 T N -0.875 113.134 114.554 -0.909 0.000 2.863 190 T HA 0.507 4.857 4.350 0.000 0.000 0.285 190 T C 0.455 174.651 174.700 -0.838 0.000 1.009 190 T CA -0.417 61.072 62.100 -1.019 0.000 0.989 190 T CB 1.860 69.686 68.868 -1.737 0.000 1.004 190 T HN 0.614 nan 8.240 nan 0.000 0.455 191 Q N 1.377 120.799 119.800 -0.630 0.000 2.245 191 Q HA 0.178 4.518 4.340 0.000 0.000 0.201 191 Q C 0.307 175.924 176.000 -0.638 0.000 0.955 191 Q CA 0.691 56.230 55.803 -0.439 0.000 0.870 191 Q CB -0.396 28.315 28.738 -0.045 0.000 0.945 191 Q HN 0.794 nan 8.270 nan 0.000 0.461 192 F N -0.755 118.741 119.950 -0.756 0.000 2.370 192 F HA 0.449 4.976 4.527 0.000 0.000 0.319 192 F C -0.008 175.427 175.800 -0.610 0.000 1.129 192 F CA -1.036 56.390 58.000 -0.956 0.000 1.109 192 F CB 0.323 38.459 39.000 -1.440 0.000 1.262 192 F HN -0.093 nan 8.300 nan 0.000 0.534 193 H N 2.948 121.995 119.070 -0.037 0.000 2.741 193 H HA 0.178 4.734 4.556 0.000 0.000 0.282 193 H C -1.751 173.692 175.328 0.191 0.000 1.122 193 H CA -1.442 54.610 56.048 0.007 0.000 1.293 193 H CB 1.193 30.977 29.762 0.037 0.000 1.415 193 H HN 0.451 nan 8.280 nan 0.000 0.472 194 P HA -0.182 nan 4.420 nan 0.000 0.217 194 P C 1.269 178.705 177.300 0.226 0.000 1.150 194 P CA 1.099 64.398 63.100 0.331 0.000 0.832 194 P CB 0.422 32.258 31.700 0.227 0.000 0.787 195 E N 0.309 120.607 120.200 0.163 0.000 2.472 195 E HA -0.136 4.215 4.350 0.000 0.000 0.200 195 E C 1.127 177.862 176.600 0.224 0.000 1.046 195 E CA 0.938 57.426 56.400 0.146 0.000 0.871 195 E CB -0.390 29.388 29.700 0.129 0.000 0.806 195 E HN 0.180 nan 8.360 nan 0.000 0.533 196 K N 0.342 120.867 120.400 0.208 0.000 2.413 196 K HA 0.253 4.573 4.320 0.000 0.000 0.204 196 K C 0.419 177.130 176.600 0.185 0.000 1.041 196 K CA 0.019 56.382 56.287 0.127 0.000 1.082 196 K CB 1.005 33.493 32.500 -0.020 0.000 0.871 196 K HN -0.056 nan 8.250 nan 0.000 0.535 197 S N 0.764 116.653 115.700 0.315 0.000 2.573 197 S HA 0.258 4.728 4.470 0.000 0.000 0.244 197 S C 0.781 175.711 174.600 0.550 0.000 0.984 197 S CA 0.162 58.657 58.200 0.492 0.000 1.001 197 S CB 0.385 63.841 63.200 0.427 0.000 0.788 197 S HN 0.562 nan 8.310 nan 0.000 0.456 198 G N 2.689 111.794 108.800 0.507 0.000 2.578 198 G HA2 -0.385 3.575 3.960 0.000 0.000 0.275 198 G HA3 -0.385 3.575 3.960 0.000 0.000 0.275 198 G C 0.718 175.803 174.900 0.309 0.000 1.271 198 G CA 0.619 45.999 45.100 0.466 0.000 0.941 198 G HN 0.374 nan 8.290 nan 0.000 0.564 199 K N 0.174 120.724 120.400 0.250 0.000 2.113 199 K HA 0.105 4.425 4.320 0.000 0.000 0.208 199 K C 3.011 179.713 176.600 0.170 0.000 1.047 199 K CA 2.975 59.371 56.287 0.181 0.000 0.928 199 K CB -0.925 31.657 32.500 0.136 0.000 0.716 199 K HN 1.231 nan 8.250 nan 0.000 0.446 200 A N -0.248 122.668 122.820 0.160 0.000 1.933 200 A HA -0.036 4.284 4.320 0.000 0.000 0.218 200 A C 2.379 180.165 177.584 0.337 0.000 1.175 200 A CA 1.889 54.029 52.037 0.173 0.000 0.628 200 A CB -1.171 17.812 19.000 -0.029 0.000 0.814 200 A HN 0.487 nan 8.150 nan 0.000 0.444 201 G N -0.362 108.638 108.800 0.333 0.000 2.394 201 G HA2 -0.071 3.889 3.960 0.000 0.000 0.215 201 G HA3 -0.071 3.889 3.960 0.000 0.000 0.215 201 G C 1.526 176.568 174.900 0.236 0.000 1.165 201 G CA 0.837 46.157 45.100 0.368 0.000 0.784 201 G HN 0.416 nan 8.290 nan 0.000 0.535 202 L N 0.683 121.988 121.223 0.136 0.000 2.083 202 L HA -0.096 4.244 4.340 0.000 0.000 0.209 202 L C 2.659 179.599 176.870 0.118 0.000 1.083 202 L CA 0.772 55.642 54.840 0.051 0.000 0.752 202 L CB -0.367 41.690 42.059 -0.003 0.000 0.899 202 L HN 0.125 nan 8.230 nan 0.000 0.433 203 N N -0.369 118.432 118.700 0.169 0.000 2.166 203 N HA -0.134 4.606 4.740 0.000 0.000 0.186 203 N C 1.880 177.521 175.510 0.218 0.000 1.019 203 N CA 1.138 54.297 53.050 0.181 0.000 0.856 203 N CB -0.433 38.169 38.487 0.193 0.000 0.993 203 N HN 0.108 nan 8.380 nan 0.000 0.426 204 V N 1.620 121.700 119.914 0.276 0.000 2.343 204 V HA -0.158 3.962 4.120 0.000 0.000 0.247 204 V C 2.238 178.498 176.094 0.276 0.000 1.051 204 V CA 1.152 63.644 62.300 0.321 0.000 1.036 204 V CB -0.377 31.683 31.823 0.396 0.000 0.654 204 V HN 0.223 nan 8.190 nan 0.000 0.451 205 I N -0.044 120.648 120.570 0.204 0.000 2.179 205 I HA -0.259 3.911 4.170 0.000 0.000 0.242 205 I C 2.613 178.801 176.117 0.119 0.000 1.088 205 I CA 1.978 63.368 61.300 0.150 0.000 1.357 205 I CB -0.363 37.674 38.000 0.061 0.000 1.051 205 I HN 0.398 nan 8.210 nan 0.000 0.409 206 E N 1.200 121.456 120.200 0.095 0.000 2.085 206 E HA -0.249 4.102 4.350 0.000 0.000 0.194 206 E C 1.927 178.590 176.600 0.106 0.000 0.994 206 E CA 1.374 57.819 56.400 0.075 0.000 0.801 206 E CB 0.072 29.835 29.700 0.105 0.000 0.743 206 E HN 0.418 nan 8.360 nan 0.000 0.453 207 N N 0.025 118.827 118.700 0.170 0.000 2.166 207 N HA -0.164 4.576 4.740 0.000 0.000 0.186 207 N C 1.618 177.293 175.510 0.276 0.000 1.019 207 N CA 1.054 54.245 53.050 0.235 0.000 0.856 207 N CB -0.446 38.222 38.487 0.303 0.000 0.993 207 N HN 0.248 nan 8.380 nan 0.000 0.426 208 F N 1.814 121.746 119.950 -0.030 0.000 2.113 208 F HA 0.034 4.561 4.527 0.000 0.000 0.297 208 F C 2.044 177.792 175.800 -0.087 0.000 1.103 208 F CA 0.909 58.715 58.000 -0.324 0.000 1.248 208 F CB -0.477 38.305 39.000 -0.363 0.000 0.999 208 F HN -0.104 nan 8.300 nan 0.000 0.475 209 L N 0.167 121.181 121.223 -0.348 0.000 2.131 209 L HA -0.185 4.155 4.340 0.000 0.000 0.210 209 L C 1.867 178.626 176.870 -0.185 0.000 1.092 209 L CA 1.476 56.056 54.840 -0.433 0.000 0.759 209 L CB -0.605 41.112 42.059 -0.569 0.000 0.903 209 L HN 0.121 nan 8.230 nan 0.000 0.435 210 K N -0.582 119.791 120.400 -0.045 0.000 2.372 210 K HA 0.080 4.400 4.320 0.000 0.000 0.200 210 K C -0.196 176.422 176.600 0.031 0.000 1.022 210 K CA -0.185 56.130 56.287 0.047 0.000 1.125 210 K CB 0.488 33.048 32.500 0.101 0.000 0.855 210 K HN 0.102 nan 8.250 nan 0.000 0.524 211 Q N 1.456 121.264 119.800 0.013 0.000 2.439 211 Q HA -0.216 4.124 4.340 0.000 0.000 0.361 211 Q C -0.919 175.137 176.000 0.094 0.000 1.408 211 Q CA 1.259 57.137 55.803 0.126 0.000 1.052 211 Q CB -1.657 27.097 28.738 0.026 0.000 1.233 211 Q HN 0.621 nan 8.270 nan 0.000 0.347 212 Q N -2.117 117.758 119.800 0.126 0.000 2.379 212 Q HA 0.725 5.065 4.340 0.000 0.000 0.278 212 Q C -0.813 175.148 176.000 -0.063 0.000 1.068 212 Q CA -0.902 54.905 55.803 0.006 0.000 0.816 212 Q CB 1.715 30.479 28.738 0.042 0.000 1.387 212 Q HN 0.033 nan 8.270 nan 0.000 0.413 213 S N 2.626 118.242 115.700 -0.140 0.000 2.080 213 S HA 0.333 4.804 4.470 0.000 0.000 0.162 213 S C -2.216 172.358 174.600 -0.042 0.000 1.618 213 S CA -0.855 57.259 58.200 -0.144 0.000 1.200 213 S CB 0.200 63.254 63.200 -0.243 0.000 1.135 213 S HN 0.523 nan 8.310 nan 0.000 0.455 214 P HA 0.229 nan 4.420 nan 0.000 0.268 214 P C -2.587 174.729 177.300 0.026 0.000 1.208 214 P CA -0.948 62.165 63.100 0.021 0.000 0.777 214 P CB -0.361 31.364 31.700 0.042 0.000 0.875 215 P HA 0.203 nan 4.420 nan 0.000 0.274 215 P C 0.145 177.467 177.300 0.037 0.000 1.231 215 P CA -0.334 62.781 63.100 0.026 0.000 0.790 215 P CB 0.561 32.268 31.700 0.012 0.000 0.951 216 I N -0.707 119.903 120.570 0.066 0.000 2.634 216 I HA 0.300 4.470 4.170 0.000 0.000 0.284 216 I C -2.162 173.940 176.117 -0.024 0.000 1.124 216 I CA -2.373 58.986 61.300 0.098 0.000 1.417 216 I CB -0.843 37.298 38.000 0.235 0.000 1.396 216 I HN 0.133 nan 8.210 nan 0.000 0.571 217 P HA -0.108 nan 4.420 nan 0.000 0.266 217 P C -0.435 176.556 177.300 -0.514 0.000 1.180 217 P CA 0.096 62.938 63.100 -0.430 0.000 0.765 217 P CB 0.270 31.557 31.700 -0.690 0.000 0.806 218 N N 2.366 120.863 118.700 -0.338 0.000 2.739 218 N HA 0.022 4.762 4.740 0.000 0.000 0.266 218 N C -0.602 174.777 175.510 -0.218 0.000 1.168 218 N CA -0.138 52.790 53.050 -0.203 0.000 1.055 218 N CB -0.197 38.224 38.487 -0.110 0.000 1.393 218 N HN 0.341 nan 8.380 nan 0.000 0.514 219 Y N 0.519 120.753 120.300 -0.109 0.000 2.326 219 Y HA 0.008 4.558 4.550 0.000 0.000 0.333 219 Y C 1.497 177.309 175.900 -0.147 0.000 1.240 219 Y CA -0.497 57.504 58.100 -0.165 0.000 1.365 219 Y CB 0.700 38.961 38.460 -0.331 0.000 1.289 219 Y HN 0.315 nan 8.280 nan 0.000 0.548 220 S N 0.642 116.371 115.700 0.049 0.000 2.669 220 S HA 0.488 4.958 4.470 0.000 0.000 0.270 220 S C 1.037 175.618 174.600 -0.033 0.000 1.225 220 S CA -0.482 57.717 58.200 -0.002 0.000 0.991 220 S CB 1.440 64.638 63.200 -0.004 0.000 0.987 220 S HN 0.841 nan 8.310 nan 0.000 0.552 221 A N 0.439 123.242 122.820 -0.029 0.000 2.125 221 A HA -0.051 4.269 4.320 0.000 0.000 0.219 221 A C 1.986 179.544 177.584 -0.043 0.000 1.156 221 A CA 1.049 53.065 52.037 -0.035 0.000 0.671 221 A CB -0.643 18.347 19.000 -0.016 0.000 0.794 221 A HN 0.834 nan 8.150 nan 0.000 0.459 222 E N 0.077 120.254 120.200 -0.039 0.000 2.122 222 E HA -0.106 4.244 4.350 0.000 0.000 0.190 222 E C 1.678 178.244 176.600 -0.058 0.000 0.977 222 E CA 1.022 57.398 56.400 -0.039 0.000 0.820 222 E CB -0.384 29.300 29.700 -0.027 0.000 0.770 222 E HN 0.785 nan 8.360 nan 0.000 0.462 223 E N 1.353 121.513 120.200 -0.067 0.000 2.072 223 E HA -0.091 4.259 4.350 0.000 0.000 0.190 223 E C 2.063 178.525 176.600 -0.230 0.000 0.982 223 E CA 0.791 57.130 56.400 -0.102 0.000 0.803 223 E CB 0.066 29.758 29.700 -0.014 0.000 0.755 223 E HN 0.133 nan 8.360 nan 0.000 0.453 224 K N 0.702 120.917 120.400 -0.308 0.000 2.026 224 K HA -0.202 4.119 4.320 0.000 0.000 0.208 224 K C 2.177 178.730 176.600 -0.079 0.000 1.048 224 K CA 1.355 57.392 56.287 -0.417 0.000 0.929 224 K CB -0.076 32.188 32.500 -0.392 0.000 0.713 224 K HN -0.060 nan 8.250 nan 0.000 0.439 225 E N 1.253 121.420 120.200 -0.056 0.000 2.204 225 E HA -0.171 4.179 4.350 0.000 0.000 0.195 225 E C 1.675 178.259 176.600 -0.027 0.000 0.990 225 E CA 0.795 57.185 56.400 -0.016 0.000 0.821 225 E CB -0.025 29.662 29.700 -0.022 0.000 0.750 225 E HN 0.167 nan 8.360 nan 0.000 0.477 226 L N -0.716 120.476 121.223 -0.051 0.000 2.168 226 L HA 0.165 4.505 4.340 0.000 0.000 0.203 226 L C 1.868 178.704 176.870 -0.057 0.000 1.078 226 L CA 1.073 55.879 54.840 -0.056 0.000 0.780 226 L CB -0.028 41.993 42.059 -0.063 0.000 0.939 226 L HN 0.186 nan 8.230 nan 0.000 0.451 227 L N -0.215 120.975 121.223 -0.056 0.000 2.446 227 L HA 0.063 4.403 4.340 0.000 0.000 0.219 227 L C 1.292 178.177 176.870 0.025 0.000 1.116 227 L CA -0.145 54.675 54.840 -0.034 0.000 0.844 227 L CB -0.460 41.547 42.059 -0.086 0.000 0.970 227 L HN 0.341 nan 8.230 nan 0.000 0.457 228 M N -0.941 118.706 119.600 0.079 0.000 2.250 228 M HA 0.115 4.595 4.480 0.000 0.000 0.325 228 M C 0.150 176.390 176.300 -0.101 0.000 1.084 228 M CA 0.330 55.640 55.300 0.017 0.000 1.161 228 M CB 0.214 32.867 32.600 0.089 0.000 1.481 228 M HN -0.096 nan 8.290 nan 0.000 0.449 229 N N 2.052 120.635 118.700 -0.194 0.000 2.430 229 N HA 0.036 4.776 4.740 0.000 0.000 0.265 229 N C -0.514 174.793 175.510 -0.338 0.000 1.100 229 N CA -0.171 52.651 53.050 -0.381 0.000 0.961 229 N CB 0.760 38.855 38.487 -0.653 0.000 1.075 229 N HN 0.801 nan 8.380 nan 0.000 0.478 230 D N 2.927 123.179 120.400 -0.247 0.000 2.349 230 D HA -0.066 4.574 4.640 0.000 0.000 0.214 230 D C -0.053 176.261 176.300 0.023 0.000 1.063 230 D CA -0.048 53.913 54.000 -0.064 0.000 0.847 230 D CB -0.443 40.328 40.800 -0.049 0.000 0.933 230 D HN 0.561 nan 8.370 nan 0.000 0.513 231 Y N 0.438 120.720 120.300 -0.030 0.000 4.177 231 Y HA -0.294 4.256 4.550 0.000 0.000 0.227 231 Y C 0.596 176.453 175.900 -0.071 0.000 1.154 231 Y CA 0.515 58.597 58.100 -0.029 0.000 1.887 231 Y CB -2.492 35.959 38.460 -0.016 0.000 1.594 231 Y HN 0.200 nan 8.280 nan 0.000 0.668 232 S N -0.162 115.507 115.700 -0.053 0.000 2.592 232 S HA 0.362 4.832 4.470 0.000 0.000 0.271 232 S C 0.747 175.250 174.600 -0.162 0.000 1.326 232 S CA -0.145 57.990 58.200 -0.109 0.000 1.024 232 S CB 1.363 64.501 63.200 -0.104 0.000 0.921 232 S HN 0.572 nan 8.310 nan 0.000 0.527 233 N N 0.771 119.298 118.700 -0.288 0.000 2.727 233 N HA -0.276 4.464 4.740 0.000 0.000 0.249 233 N C -0.443 174.976 175.510 -0.151 0.000 1.048 233 N CA 1.168 54.021 53.050 -0.329 0.000 0.714 233 N CB -2.343 36.067 38.487 -0.128 0.000 0.959 233 N HN 0.907 nan 8.380 nan 0.000 0.544 234 Y N -4.023 116.297 120.300 0.034 0.000 4.819 234 Y HA -0.312 4.238 4.550 0.000 0.000 0.230 234 Y C 1.834 177.850 175.900 0.194 0.000 1.009 234 Y CA 1.386 59.513 58.100 0.044 0.000 1.971 234 Y CB -1.673 36.731 38.460 -0.094 0.000 1.587 234 Y HN 0.710 nan 8.280 nan 0.000 0.587 235 G N -1.052 107.865 108.800 0.194 0.000 2.211 235 G HA2 -0.222 3.739 3.960 0.000 0.000 0.201 235 G HA3 -0.222 3.739 3.960 0.000 0.000 0.201 235 G C -0.075 174.822 174.900 -0.004 0.000 0.997 235 G CA -0.174 44.944 45.100 0.030 0.000 0.652 235 G HN 0.348 nan 8.290 nan 0.000 0.500 236 L N 2.445 123.725 121.223 0.094 0.000 2.334 236 L HA 0.573 4.913 4.340 0.000 0.000 0.277 236 L C 1.520 178.408 176.870 0.029 0.000 1.075 236 L CA -0.298 54.593 54.840 0.086 0.000 0.804 236 L CB 1.336 43.478 42.059 0.138 0.000 1.174 236 L HN 0.364 nan 8.230 nan 0.000 0.438 237 T N -0.417 114.171 114.554 0.056 0.000 2.766 237 T HA 0.223 4.573 4.350 0.000 0.000 0.295 237 T C 0.412 175.064 174.700 -0.081 0.000 1.024 237 T CA -0.888 61.192 62.100 -0.033 0.000 1.018 237 T CB 0.575 69.428 68.868 -0.024 0.000 1.002 237 T HN 0.336 nan 8.240 nan 0.000 0.532 238 R N 1.873 122.223 120.500 -0.249 0.000 2.291 238 R HA 0.206 4.546 4.340 0.000 0.000 0.333 238 R C 0.389 176.604 176.300 -0.142 0.000 1.082 238 R CA -0.174 55.614 56.100 -0.520 0.000 0.948 238 R CB -0.306 29.384 30.300 -1.017 0.000 1.009 238 R HN 0.666 nan 8.270 nan 0.000 0.460 239 R N 3.745 124.303 120.500 0.096 0.000 2.351 239 R HA 0.124 4.464 4.340 0.000 0.000 0.318 239 R C -0.201 176.299 176.300 0.333 0.000 1.055 239 R CA -0.116 56.132 56.100 0.247 0.000 0.968 239 R CB 0.385 30.880 30.300 0.324 0.000 0.974 239 R HN 0.356 nan 8.270 nan 0.000 0.439 240 I N 7.500 128.200 120.570 0.218 0.000 2.328 240 I HA 0.250 4.420 4.170 0.000 0.000 0.287 240 I C 0.172 176.375 176.117 0.144 0.000 1.012 240 I CA -0.655 60.780 61.300 0.226 0.000 1.195 240 I CB 0.992 39.027 38.000 0.058 0.000 1.350 240 I HN 0.587 nan 8.210 nan 0.000 0.464 241 I N 5.107 125.805 120.570 0.213 0.000 2.359 241 I HA 0.522 4.692 4.170 0.000 0.000 0.294 241 I C 0.485 176.664 176.117 0.104 0.000 0.987 241 I CA -0.634 60.743 61.300 0.129 0.000 1.225 241 I CB 1.874 39.961 38.000 0.144 0.000 1.366 241 I HN 0.606 nan 8.210 nan 0.000 0.466 242 A N 5.716 128.488 122.820 -0.078 0.000 2.292 242 A HA 0.542 4.863 4.320 0.000 0.000 0.319 242 A C -0.700 176.839 177.584 -0.075 0.000 1.206 242 A CA -0.401 51.503 52.037 -0.222 0.000 0.835 242 A CB 1.062 19.596 19.000 -0.776 0.000 1.164 242 A HN 0.854 nan 8.150 nan 0.000 0.505 243 C N 4.668 123.988 119.300 0.033 0.000 2.408 243 C HA 0.812 5.272 4.460 0.000 0.000 0.321 243 C C -0.709 174.329 174.990 0.079 0.000 1.245 243 C CA -0.724 58.313 59.018 0.031 0.000 1.523 243 C CB -0.319 27.451 27.740 0.049 0.000 2.178 243 C HN 0.934 nan 8.230 nan 0.000 0.488 244 L N 3.470 124.694 121.223 0.002 0.000 2.385 244 L HA 0.716 5.056 4.340 0.000 0.000 0.273 244 L C -0.694 176.190 176.870 0.023 0.000 0.990 244 L CA -0.293 54.556 54.840 0.016 0.000 0.821 244 L CB 1.342 43.397 42.059 -0.007 0.000 1.279 244 L HN 0.365 nan 8.230 nan 0.000 0.412 245 D N 2.396 122.806 120.400 0.015 0.000 2.350 245 D HA 0.420 5.060 4.640 0.000 0.000 0.249 245 D C -0.502 175.823 176.300 0.041 0.000 1.119 245 D CA 0.130 54.149 54.000 0.033 0.000 0.886 245 D CB 2.257 43.069 40.800 0.020 0.000 1.195 245 D HN 0.386 nan 8.370 nan 0.000 0.437 246 V N 4.142 124.097 119.914 0.069 0.000 2.376 246 V HA 0.417 4.537 4.120 0.000 0.000 0.287 246 V C 0.266 176.387 176.094 0.045 0.000 1.015 246 V CA -0.686 61.656 62.300 0.070 0.000 0.834 246 V CB 1.059 32.946 31.823 0.107 0.000 1.001 246 V HN 0.354 nan 8.190 nan 0.000 0.428 247 R N 2.047 122.567 120.500 0.033 0.000 2.892 247 R HA 0.807 5.148 4.340 0.000 0.000 0.265 247 R C -0.462 175.852 176.300 0.024 0.000 1.025 247 R CA -0.812 55.305 56.100 0.028 0.000 0.982 247 R CB 2.172 32.488 30.300 0.027 0.000 1.185 247 R HN 0.691 nan 8.270 nan 0.000 0.484 248 T N -0.458 114.108 114.554 0.021 0.000 2.770 248 T HA 0.266 4.616 4.350 0.000 0.000 0.283 248 T C 0.066 174.776 174.700 0.017 0.000 0.988 248 T CA -1.113 60.997 62.100 0.017 0.000 0.957 248 T CB 0.851 69.728 68.868 0.014 0.000 0.930 248 T HN 0.643 nan 8.240 nan 0.000 0.443 249 N N 2.491 121.201 118.700 0.016 0.000 2.383 249 N HA 0.188 4.928 4.740 0.000 0.000 0.288 249 N C 0.352 175.870 175.510 0.013 0.000 1.320 249 N CA -0.346 52.714 53.050 0.016 0.000 0.941 249 N CB -0.307 38.190 38.487 0.017 0.000 1.078 249 N HN 0.473 nan 8.380 nan 0.000 0.509 250 D N -1.260 119.147 120.400 0.012 0.000 2.097 250 D HA -0.101 4.539 4.640 0.000 0.000 0.197 250 D C 1.611 177.916 176.300 0.009 0.000 0.984 250 D CA 1.349 55.355 54.000 0.010 0.000 0.826 250 D CB -0.266 40.540 40.800 0.010 0.000 0.973 250 D HN 0.450 nan 8.370 nan 0.000 0.460 251 Q N -0.481 119.324 119.800 0.008 0.000 2.364 251 Q HA 0.174 4.514 4.340 0.000 0.000 0.207 251 Q C 1.481 177.484 176.000 0.005 0.000 0.970 251 Q CA 1.190 56.997 55.803 0.007 0.000 0.888 251 Q CB 0.008 28.750 28.738 0.007 0.000 0.951 251 Q HN 0.390 nan 8.270 nan 0.000 0.469 252 G N -0.490 108.314 108.800 0.007 0.000 2.159 252 G HA2 -0.188 3.772 3.960 0.000 0.000 0.227 252 G HA3 -0.188 3.772 3.960 0.000 0.000 0.227 252 G C -0.436 174.467 174.900 0.004 0.000 0.986 252 G CA 0.003 45.107 45.100 0.005 0.000 0.651 252 G HN 0.281 nan 8.290 nan 0.000 0.523 253 D N 0.031 120.435 120.400 0.006 0.000 2.312 253 D HA 0.517 5.157 4.640 0.000 0.000 0.248 253 D C 0.401 176.705 176.300 0.008 0.000 1.086 253 D CA -0.192 53.811 54.000 0.005 0.000 0.948 253 D CB 1.433 42.237 40.800 0.006 0.000 1.162 253 D HN 0.053 nan 8.370 nan 0.000 0.446 254 L N 1.319 122.546 121.223 0.007 0.000 2.292 254 L HA 0.293 4.633 4.340 0.000 0.000 0.284 254 L C 0.339 177.219 176.870 0.016 0.000 1.065 254 L CA -0.304 54.543 54.840 0.012 0.000 0.806 254 L CB 1.232 43.296 42.059 0.008 0.000 1.175 254 L HN 0.169 nan 8.230 nan 0.000 0.431 255 V N 0.801 120.727 119.914 0.020 0.000 3.167 255 V HA 0.770 4.890 4.120 0.000 0.000 0.310 255 V C -0.647 175.452 176.094 0.008 0.000 1.207 255 V CA -0.936 61.375 62.300 0.019 0.000 1.059 255 V CB 2.208 34.048 31.823 0.028 0.000 1.079 255 V HN 0.254 nan 8.190 nan 0.000 0.446 256 V N 1.197 121.101 119.914 -0.017 0.000 2.417 256 V HA 0.787 4.907 4.120 0.000 0.000 0.291 256 V C 0.184 176.224 176.094 -0.089 0.000 1.024 256 V CA 0.188 62.421 62.300 -0.111 0.000 0.861 256 V CB 1.184 32.840 31.823 -0.278 0.000 0.985 256 V HN 1.203 nan 8.190 nan 0.000 0.436 257 T N 3.466 117.991 114.554 -0.048 0.000 2.812 257 T HA 0.673 5.023 4.350 0.000 0.000 0.294 257 T C -0.708 174.052 174.700 0.100 0.000 1.159 257 T CA -0.864 61.290 62.100 0.089 0.000 1.008 257 T CB 2.578 71.493 68.868 0.077 0.000 1.289 257 T HN 0.559 nan 8.240 nan 0.000 0.514 277 G N 0.848 109.645 108.800 -0.005 0.000 2.421 277 G HA2 -0.165 3.796 3.960 0.000 0.000 0.217 277 G HA3 -0.165 3.796 3.960 0.000 0.000 0.217 277 G C 1.248 176.148 174.900 -0.000 0.000 1.143 277 G CA 0.951 46.048 45.100 -0.004 0.000 0.784 277 G HN 0.323 nan 8.290 nan 0.000 0.541 278 K N 0.764 121.166 120.400 0.003 0.000 2.057 278 K HA -0.067 4.253 4.320 0.000 0.000 0.207 278 K C -0.194 176.404 176.600 -0.004 0.000 1.049 278 K CA 1.161 57.449 56.287 0.001 0.000 0.931 278 K CB -0.487 32.019 32.500 0.009 0.000 0.714 278 K HN 0.230 nan 8.250 nan 0.000 0.440 279 P HA -0.114 nan 4.420 nan 0.000 0.216 279 P C 1.447 178.820 177.300 0.122 0.000 1.153 279 P CA 0.918 64.069 63.100 0.084 0.000 0.848 279 P CB 0.094 31.873 31.700 0.133 0.000 0.787 280 V N -0.129 119.826 119.914 0.069 0.000 2.295 280 V HA -0.287 3.833 4.120 0.000 0.000 0.246 280 V C 2.473 178.579 176.094 0.019 0.000 1.049 280 V CA 1.910 64.241 62.300 0.052 0.000 1.024 280 V CB -1.377 30.445 31.823 -0.001 0.000 0.648 280 V HN 0.162 nan 8.190 nan 0.000 0.447 281 Q N -0.860 118.934 119.800 -0.010 0.000 2.119 281 Q HA -0.177 4.163 4.340 0.000 0.000 0.201 281 Q C 2.229 178.176 176.000 -0.089 0.000 0.972 281 Q CA 1.413 57.197 55.803 -0.032 0.000 0.847 281 Q CB -0.247 28.478 28.738 -0.023 0.000 0.903 281 Q HN 0.501 nan 8.270 nan 0.000 0.433 282 L N 0.440 121.573 121.223 -0.150 0.000 2.093 282 L HA -0.049 4.291 4.340 0.000 0.000 0.208 282 L C 2.099 178.639 176.870 -0.550 0.000 1.085 282 L CA 1.803 56.414 54.840 -0.381 0.000 0.755 282 L CB -0.711 41.109 42.059 -0.399 0.000 0.904 282 L HN 0.106 nan 8.230 nan 0.000 0.435 283 A N -1.127 121.547 122.820 -0.243 0.000 1.902 283 A HA -0.245 4.075 4.320 0.000 0.000 0.217 283 A C 2.177 179.769 177.584 0.013 0.000 1.181 283 A CA 1.758 53.741 52.037 -0.090 0.000 0.623 283 A CB -0.515 18.576 19.000 0.152 0.000 0.818 283 A HN 0.631 nan 8.150 nan 0.000 0.443 284 Q N -0.665 119.140 119.800 0.009 0.000 2.119 284 Q HA -0.163 4.177 4.340 0.000 0.000 0.201 284 Q C 2.200 178.254 176.000 0.090 0.000 0.972 284 Q CA 1.603 57.450 55.803 0.073 0.000 0.847 284 Q CB -0.177 28.583 28.738 0.035 0.000 0.903 284 Q HN 0.701 nan 8.270 nan 0.000 0.433 285 K N 0.440 120.835 120.400 -0.007 0.000 2.026 285 K HA -0.159 4.161 4.320 0.000 0.000 0.208 285 K C 1.856 178.513 176.600 0.096 0.000 1.048 285 K CA 1.227 57.515 56.287 0.002 0.000 0.929 285 K CB -0.134 32.326 32.500 -0.068 0.000 0.713 285 K HN 0.314 nan 8.250 nan 0.000 0.439 286 Y N -0.949 119.345 120.300 -0.010 0.000 2.207 286 Y HA -0.305 4.245 4.550 0.000 0.000 0.287 286 Y C 2.418 178.287 175.900 -0.053 0.000 1.156 286 Y CA 0.912 58.967 58.100 -0.076 0.000 1.182 286 Y CB -0.196 38.206 38.460 -0.097 0.000 0.979 286 Y HN 0.245 nan 8.280 nan 0.000 0.521 287 Y N 1.347 121.690 120.300 0.071 0.000 2.163 287 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 287 Y C 2.231 178.131 175.900 0.001 0.000 1.136 287 Y CA 1.495 59.603 58.100 0.014 0.000 1.147 287 Y CB -0.620 37.841 38.460 0.002 0.000 0.987 287 Y HN 0.104 nan 8.280 nan 0.000 0.509 288 Q N -0.255 119.437 119.800 -0.180 0.000 2.224 288 Q HA -0.174 4.166 4.340 0.000 0.000 0.203 288 Q C 1.490 177.381 176.000 -0.182 0.000 0.970 288 Q CA 1.440 57.100 55.803 -0.239 0.000 0.865 288 Q CB -0.058 28.641 28.738 -0.065 0.000 0.922 288 Q HN 0.635 nan 8.270 nan 0.000 0.445 289 Q N -1.271 118.462 119.800 -0.113 0.000 2.222 289 Q HA 0.151 4.492 4.340 0.000 0.000 0.206 289 Q C 0.522 176.429 176.000 -0.155 0.000 0.877 289 Q CA 0.376 56.121 55.803 -0.097 0.000 0.958 289 Q CB 1.107 29.828 28.738 -0.028 0.000 1.075 289 Q HN 0.497 nan 8.270 nan 0.000 0.483 290 G N 0.542 109.220 108.800 -0.203 0.000 2.201 290 G HA2 -0.254 3.706 3.960 0.000 0.000 0.212 290 G HA3 -0.254 3.706 3.960 0.000 0.000 0.212 290 G C 0.344 175.113 174.900 -0.219 0.000 0.994 290 G CA -0.283 44.685 45.100 -0.220 0.000 0.644 290 G HN 0.502 nan 8.290 nan 0.000 0.508 291 A N 0.679 123.385 122.820 -0.190 0.000 2.567 291 A HA 0.424 4.744 4.320 0.000 0.000 0.240 291 A C 1.209 178.759 177.584 -0.057 0.000 1.053 291 A CA 1.212 53.152 52.037 -0.161 0.000 0.755 291 A CB 0.205 19.133 19.000 -0.120 0.000 0.978 291 A HN 0.259 nan 8.150 nan 0.000 0.507 292 D N 0.936 121.310 120.400 -0.044 0.000 2.323 292 D HA 0.065 4.705 4.640 0.000 0.000 0.209 292 D C 0.469 176.910 176.300 0.236 0.000 0.973 292 D CA 1.129 55.167 54.000 0.064 0.000 0.874 292 D CB 0.468 41.325 40.800 0.095 0.000 0.930 292 D HN 0.783 nan 8.370 nan 0.000 0.521 293 E N -0.569 119.704 120.200 0.122 0.000 2.390 293 E HA 0.352 4.702 4.350 0.000 0.000 0.280 293 E C -1.751 174.864 176.600 0.026 0.000 0.992 293 E CA -0.530 55.920 56.400 0.084 0.000 0.790 293 E CB 2.863 32.629 29.700 0.109 0.000 1.248 293 E HN -0.314 nan 8.360 nan 0.000 0.447 294 V N 2.007 121.921 119.914 0.000 0.000 2.483 294 V HA 0.420 4.540 4.120 0.000 0.000 0.297 294 V C -0.541 175.467 176.094 -0.144 0.000 1.027 294 V CA -0.601 61.643 62.300 -0.094 0.000 0.855 294 V CB 1.867 33.617 31.823 -0.122 0.000 0.995 294 V HN 0.670 nan 8.190 nan 0.000 0.424 295 T N 5.569 120.018 114.554 -0.174 0.000 2.794 295 T HA 0.666 5.016 4.350 0.000 0.000 0.280 295 T C -0.729 173.843 174.700 -0.215 0.000 0.987 295 T CA -0.062 61.983 62.100 -0.092 0.000 0.993 295 T CB 0.629 69.494 68.868 -0.004 0.000 0.939 295 T HN 0.307 nan 8.240 nan 0.000 0.449 296 F N 2.743 122.714 119.950 0.035 0.000 2.426 296 F HA 0.471 4.998 4.527 0.000 0.000 0.348 296 F C 0.102 175.902 175.800 -0.000 0.000 1.124 296 F CA -1.022 56.992 58.000 0.024 0.000 1.008 296 F CB 1.005 40.016 39.000 0.017 0.000 1.139 296 F HN 0.205 nan 8.300 nan 0.000 0.452 297 L N 3.926 125.241 121.223 0.154 0.000 2.272 297 L HA 0.285 4.626 4.340 0.000 0.000 0.284 297 L C 0.135 177.054 176.870 0.081 0.000 1.045 297 L CA -0.289 54.600 54.840 0.082 0.000 0.842 297 L CB 0.719 42.807 42.059 0.049 0.000 1.224 297 L HN 0.650 nan 8.230 nan 0.000 0.430 298 N N 4.950 123.684 118.700 0.056 0.000 2.415 298 N HA 0.210 4.951 4.740 0.000 0.000 0.250 298 N C 0.264 175.791 175.510 0.028 0.000 1.127 298 N CA -0.307 52.770 53.050 0.045 0.000 0.945 298 N CB 0.528 39.035 38.487 0.033 0.000 1.196 298 N HN 0.598 nan 8.380 nan 0.000 0.499 299 I N 2.175 122.765 120.570 0.034 0.000 3.816 299 I HA 0.053 4.223 4.170 0.000 0.000 0.334 299 I C 1.022 177.154 176.117 0.026 0.000 1.551 299 I CA -0.453 60.862 61.300 0.026 0.000 1.153 299 I CB -0.156 37.858 38.000 0.025 0.000 1.197 299 I HN 0.413 nan 8.210 nan 0.000 0.439 306 P HA 0.203 nan 4.420 nan 0.000 0.269 306 P C 0.812 178.092 177.300 -0.032 0.000 1.215 306 P CA -0.346 62.743 63.100 -0.019 0.000 0.780 306 P CB 0.558 32.246 31.700 -0.020 0.000 0.898 307 L N 3.415 124.618 121.223 -0.034 0.000 2.042 307 L HA -0.230 4.110 4.340 0.000 0.000 0.210 307 L C 2.116 178.930 176.870 -0.093 0.000 1.076 307 L CA 1.991 56.797 54.840 -0.056 0.000 0.749 307 L CB -1.016 41.018 42.059 -0.042 0.000 0.893 307 L HN 0.422 nan 8.230 nan 0.000 0.432 308 K N -1.714 118.641 120.400 -0.074 0.000 2.152 308 K HA -0.153 4.167 4.320 0.000 0.000 0.206 308 K C 0.733 177.280 176.600 -0.089 0.000 1.048 308 K CA 1.746 57.983 56.287 -0.083 0.000 0.933 308 K CB -0.485 31.983 32.500 -0.054 0.000 0.721 308 K HN 0.369 nan 8.250 nan 0.000 0.447 309 D N 1.466 121.823 120.400 -0.072 0.000 2.368 309 D HA 0.026 4.666 4.640 0.000 0.000 0.218 309 D C -0.377 175.881 176.300 -0.070 0.000 1.112 309 D CA 0.162 54.124 54.000 -0.064 0.000 0.834 309 D CB 0.447 41.221 40.800 -0.042 0.000 0.953 309 D HN 0.135 nan 8.370 nan 0.000 0.505 310 T N 2.644 117.142 114.554 -0.094 0.000 2.831 310 T HA 0.025 4.375 4.350 0.000 0.000 0.291 310 T C -1.393 173.254 174.700 -0.089 0.000 0.981 310 T CA -0.860 61.188 62.100 -0.086 0.000 1.174 310 T CB 1.385 70.183 68.868 -0.117 0.000 0.929 310 T HN -0.021 nan 8.240 nan 0.000 0.532 311 P HA -0.164 nan 4.420 nan 0.000 0.217 311 P C 1.657 178.916 177.300 -0.067 0.000 1.151 311 P CA 0.695 63.764 63.100 -0.052 0.000 0.849 311 P CB 0.034 31.716 31.700 -0.029 0.000 0.787 312 M N -1.267 118.305 119.600 -0.047 0.000 2.213 312 M HA -0.111 4.369 4.480 0.000 0.000 0.263 312 M C 1.767 178.004 176.300 -0.104 0.000 1.062 312 M CA 1.671 56.946 55.300 -0.043 0.000 1.105 312 M CB -1.256 31.398 32.600 0.090 0.000 1.385 312 M HN -0.158 nan 8.290 nan 0.000 0.417 313 L N -0.719 120.404 121.223 -0.168 0.000 2.083 313 L HA -0.181 4.160 4.340 0.000 0.000 0.209 313 L C 2.348 179.117 176.870 -0.170 0.000 1.083 313 L CA 1.394 56.091 54.840 -0.238 0.000 0.752 313 L CB -0.751 41.116 42.059 -0.319 0.000 0.899 313 L HN 0.280 nan 8.230 nan 0.000 0.433 314 E N -0.043 120.074 120.200 -0.140 0.000 2.208 314 E HA -0.121 4.229 4.350 0.000 0.000 0.193 314 E C 2.024 178.547 176.600 -0.128 0.000 0.988 314 E CA 0.787 57.119 56.400 -0.113 0.000 0.828 314 E CB 0.008 29.657 29.700 -0.085 0.000 0.763 314 E HN 0.206 nan 8.360 nan 0.000 0.478 315 V N 0.579 120.394 119.914 -0.164 0.000 2.358 315 V HA -0.218 3.902 4.120 0.000 0.000 0.246 315 V C 2.393 178.306 176.094 -0.301 0.000 1.047 315 V CA 1.482 63.650 62.300 -0.220 0.000 1.035 315 V CB -0.473 31.178 31.823 -0.287 0.000 0.658 315 V HN 0.275 nan 8.190 nan 0.000 0.452 316 L N -0.512 120.518 121.223 -0.322 0.000 2.017 316 L HA -0.198 4.142 4.340 0.000 0.000 0.208 316 L C 2.616 179.390 176.870 -0.162 0.000 1.073 316 L CA 1.770 56.443 54.840 -0.279 0.000 0.745 316 L CB -0.581 41.370 42.059 -0.181 0.000 0.894 316 L HN 0.243 nan 8.230 nan 0.000 0.432 317 K N -0.639 119.683 120.400 -0.130 0.000 2.032 317 K HA -0.221 4.099 4.320 0.000 0.000 0.209 317 K C 2.284 178.830 176.600 -0.090 0.000 1.048 317 K CA 1.365 57.597 56.287 -0.092 0.000 0.927 317 K CB -0.076 32.377 32.500 -0.079 0.000 0.712 317 K HN 0.240 nan 8.250 nan 0.000 0.441 318 Q N -0.211 119.531 119.800 -0.096 0.000 2.079 318 Q HA -0.059 4.281 4.340 0.000 0.000 0.200 318 Q C 2.177 178.120 176.000 -0.094 0.000 0.974 318 Q CA 1.550 57.304 55.803 -0.081 0.000 0.840 318 Q CB -0.310 28.388 28.738 -0.067 0.000 0.898 318 Q HN 0.331 nan 8.270 nan 0.000 0.430 319 A N 1.052 123.811 122.820 -0.101 0.000 1.930 319 A HA -0.022 4.298 4.320 0.000 0.000 0.217 319 A C 2.196 179.677 177.584 -0.172 0.000 1.175 319 A CA 1.631 53.620 52.037 -0.081 0.000 0.627 319 A CB -0.572 18.441 19.000 0.022 0.000 0.815 319 A HN 0.329 nan 8.150 nan 0.000 0.443 320 A N -0.579 122.141 122.820 -0.167 0.000 2.248 320 A HA -0.040 4.281 4.320 0.000 0.000 0.210 320 A C 1.897 179.309 177.584 -0.287 0.000 1.174 320 A CA 1.363 53.271 52.037 -0.214 0.000 0.750 320 A CB -0.359 18.570 19.000 -0.117 0.000 0.780 320 A HN 0.571 nan 8.150 nan 0.000 0.478 321 K N -0.961 119.290 120.400 -0.248 0.000 2.243 321 K HA -0.038 4.282 4.320 0.000 0.000 0.201 321 K C 1.633 178.009 176.600 -0.373 0.000 1.051 321 K CA 1.565 57.731 56.287 -0.202 0.000 0.970 321 K CB 0.110 32.555 32.500 -0.091 0.000 0.755 321 K HN 0.673 nan 8.250 nan 0.000 0.465 322 T N -3.415 110.820 114.554 -0.532 0.000 2.969 322 T HA 0.149 4.499 4.350 0.000 0.000 0.258 322 T C 0.449 174.542 174.700 -1.011 0.000 0.962 322 T CA -0.403 61.325 62.100 -0.621 0.000 0.903 322 T CB 0.298 69.043 68.868 -0.205 0.000 1.177 322 T HN -0.224 nan 8.240 nan 0.000 0.511 323 V N 3.166 122.490 119.914 -0.982 0.000 2.356 323 V HA 0.385 4.505 4.120 0.000 0.000 0.258 323 V C -0.526 174.891 176.094 -1.128 0.000 1.065 323 V CA -0.448 61.159 62.300 -1.155 0.000 0.935 323 V CB -0.848 30.669 31.823 -0.510 0.000 1.061 323 V HN 0.464 nan 8.190 nan 0.000 0.484 324 F N 5.002 124.402 119.950 -0.917 0.000 2.894 324 F HA 0.445 4.972 4.527 0.000 0.000 0.310 324 F C 0.392 176.146 175.800 -0.078 0.000 1.204 324 F CA -0.528 57.284 58.000 -0.312 0.000 1.290 324 F CB 0.563 39.505 39.000 -0.096 0.000 1.317 324 F HN 0.415 nan 8.300 nan 0.000 0.545 325 V N -2.509 117.394 119.914 -0.018 0.000 3.114 325 V HA 0.667 4.787 4.120 0.000 0.000 0.308 325 V C -2.773 173.274 176.094 -0.079 0.000 1.168 325 V CA -3.025 59.323 62.300 0.081 0.000 1.015 325 V CB 1.995 33.953 31.823 0.226 0.000 1.050 325 V HN -0.130 nan 8.190 nan 0.000 0.433 326 P HA 0.261 nan 4.420 nan 0.000 0.266 326 P C -0.976 176.291 177.300 -0.054 0.000 1.195 326 P CA 0.255 63.222 63.100 -0.220 0.000 0.768 326 P CB 0.590 32.039 31.700 -0.419 0.000 0.838 327 L N 2.522 123.751 121.223 0.010 0.000 2.341 327 L HA 0.452 4.792 4.340 0.000 0.000 0.278 327 L C 0.479 177.433 176.870 0.141 0.000 1.005 327 L CA -0.399 54.515 54.840 0.123 0.000 0.818 327 L CB 2.030 44.204 42.059 0.191 0.000 1.259 327 L HN 0.250 nan 8.230 nan 0.000 0.418 328 T N 2.199 116.853 114.554 0.167 0.000 2.823 328 T HA 0.525 4.875 4.350 0.000 0.000 0.279 328 T C -0.835 173.975 174.700 0.182 0.000 0.998 328 T CA -0.425 61.757 62.100 0.137 0.000 0.994 328 T CB 2.528 71.449 68.868 0.089 0.000 0.960 328 T HN 0.294 nan 8.240 nan 0.000 0.448 329 V N 2.226 122.187 119.914 0.079 0.000 2.588 329 V HA 0.929 5.049 4.120 0.000 0.000 0.304 329 V C -0.285 175.735 176.094 -0.123 0.000 1.042 329 V CA -0.149 62.152 62.300 0.002 0.000 0.877 329 V CB 1.624 33.377 31.823 -0.117 0.000 0.996 329 V HN 1.038 nan 8.190 nan 0.000 0.425 330 G N 3.080 111.825 108.800 -0.091 0.000 2.612 330 G HA2 0.752 4.713 3.960 0.000 0.000 0.298 330 G HA3 0.752 4.713 3.960 0.000 0.000 0.298 330 G C -0.196 174.637 174.900 -0.111 0.000 1.336 330 G CA -0.451 44.581 45.100 -0.114 0.000 0.953 330 G HN 1.831 nan 8.290 nan 0.000 0.482 331 G N -1.116 107.613 108.800 -0.118 0.000 3.071 331 G HA2 0.504 4.464 3.960 0.000 0.000 0.620 331 G HA3 0.504 4.464 3.960 0.000 0.000 0.620 331 G C 0.786 175.638 174.900 -0.081 0.000 1.204 331 G CA 0.711 45.766 45.100 -0.076 0.000 1.200 331 G HN 2.532 nan 8.290 nan 0.000 0.530 332 G N 0.419 109.189 108.800 -0.051 0.000 2.143 332 G HA2 -0.133 3.827 3.960 0.000 0.000 0.248 332 G HA3 -0.133 3.827 3.960 0.000 0.000 0.248 332 G C 0.414 175.293 174.900 -0.034 0.000 0.991 332 G CA 0.318 45.405 45.100 -0.022 0.000 0.689 332 G HN 1.518 nan 8.290 nan 0.000 0.522 333 I N 1.370 121.889 120.570 -0.085 0.000 2.294 333 I HA 0.409 4.580 4.170 0.000 0.000 0.295 333 I C 0.756 176.851 176.117 -0.036 0.000 1.098 333 I CA 0.463 61.707 61.300 -0.094 0.000 1.277 333 I CB -0.298 37.599 38.000 -0.170 0.000 1.434 333 I HN 0.606 nan 8.210 nan 0.000 0.498 334 K N 3.628 124.027 120.400 -0.002 0.000 2.670 334 K HA 0.409 4.729 4.320 0.000 0.000 0.289 334 K C -1.521 175.099 176.600 0.035 0.000 1.045 334 K CA -1.001 55.302 56.287 0.027 0.000 0.834 334 K CB 0.929 33.457 32.500 0.047 0.000 1.531 334 K HN -0.035 nan 8.250 nan 0.000 0.376 335 D N 1.603 122.030 120.400 0.045 0.000 2.348 335 D HA 0.328 4.968 4.640 0.000 0.000 0.253 335 D C 0.037 176.361 176.300 0.040 0.000 1.161 335 D CA 0.027 54.051 54.000 0.041 0.000 0.876 335 D CB 0.533 41.358 40.800 0.042 0.000 1.160 335 D HN 0.517 nan 8.370 nan 0.000 0.459 336 I N -1.976 118.614 120.570 0.034 0.000 3.067 336 I HA 0.617 4.787 4.170 0.000 0.000 0.312 336 I C -0.820 175.312 176.117 0.025 0.000 1.073 336 I CA -1.189 60.130 61.300 0.031 0.000 1.016 336 I CB 2.065 40.084 38.000 0.032 0.000 1.227 336 I HN -0.103 nan 8.210 nan 0.000 0.456 337 V N 2.738 122.666 119.914 0.022 0.000 2.304 337 V HA 0.263 4.383 4.120 0.000 0.000 0.278 337 V C -0.176 175.927 176.094 0.015 0.000 1.018 337 V CA -0.341 61.969 62.300 0.017 0.000 0.814 337 V CB 0.614 32.447 31.823 0.017 0.000 1.021 337 V HN 0.742 nan 8.190 nan 0.000 0.440 338 D N 2.775 123.182 120.400 0.011 0.000 2.335 338 D HA 0.045 4.685 4.640 0.000 0.000 0.236 338 D C 1.343 177.647 176.300 0.006 0.000 1.297 338 D CA 0.095 54.099 54.000 0.007 0.000 0.906 338 D CB 1.561 42.363 40.800 0.002 0.000 1.164 338 D HN 0.185 nan 8.370 nan 0.000 0.469 339 V N 0.973 120.888 119.914 0.002 0.000 2.469 339 V HA -0.255 3.865 4.120 0.000 0.000 0.251 339 V C 1.522 177.617 176.094 0.003 0.000 1.064 339 V CA 2.323 64.624 62.300 0.002 0.000 1.066 339 V CB -0.813 31.009 31.823 -0.001 0.000 0.667 339 V HN 0.638 nan 8.190 nan 0.000 0.461 340 D N -0.581 119.821 120.400 0.002 0.000 2.340 340 D HA 0.225 4.865 4.640 0.000 0.000 0.220 340 D C 1.572 177.875 176.300 0.004 0.000 1.039 340 D CA 0.869 54.870 54.000 0.002 0.000 0.866 340 D CB 0.248 41.048 40.800 0.001 0.000 0.913 340 D HN 0.412 nan 8.370 nan 0.000 0.523 341 G N -0.497 108.306 108.800 0.006 0.000 2.217 341 G HA2 -0.283 3.677 3.960 0.000 0.000 0.246 341 G HA3 -0.283 3.677 3.960 0.000 0.000 0.246 341 G C 0.515 175.421 174.900 0.009 0.000 0.990 341 G CA 0.223 45.328 45.100 0.007 0.000 0.627 341 G HN 0.453 nan 8.290 nan 0.000 0.522 342 T N 2.340 116.898 114.554 0.008 0.000 2.908 342 T HA 0.335 4.685 4.350 0.000 0.000 0.301 342 T C 0.550 175.257 174.700 0.012 0.000 1.019 342 T CA 0.501 62.607 62.100 0.009 0.000 1.152 342 T CB 0.810 69.683 68.868 0.008 0.000 0.966 342 T HN 0.342 nan 8.240 nan 0.000 0.540 343 K N 3.657 124.066 120.400 0.014 0.000 2.292 343 K HA 0.305 4.626 4.320 0.000 0.000 0.290 343 K C -0.271 176.341 176.600 0.020 0.000 1.083 343 K CA -0.087 56.211 56.287 0.017 0.000 0.918 343 K CB 0.356 32.866 32.500 0.017 0.000 1.089 343 K HN 0.546 nan 8.250 nan 0.000 0.473 344 I N 6.496 127.079 120.570 0.021 0.000 2.328 344 I HA 0.211 4.381 4.170 0.000 0.000 0.287 344 I C -1.949 174.186 176.117 0.030 0.000 1.012 344 I CA -2.520 58.795 61.300 0.024 0.000 1.195 344 I CB 1.297 39.309 38.000 0.020 0.000 1.350 344 I HN 0.336 nan 8.210 nan 0.000 0.464 345 P HA 0.063 nan 4.420 nan 0.000 0.272 345 P C 0.605 177.930 177.300 0.041 0.000 1.223 345 P CA -0.187 62.937 63.100 0.040 0.000 0.784 345 P CB 1.276 33.004 31.700 0.045 0.000 0.923 346 A N 2.632 125.476 122.820 0.040 0.000 1.997 346 A HA -0.231 4.089 4.320 0.000 0.000 0.221 346 A C 1.969 179.571 177.584 0.030 0.000 1.172 346 A CA 1.836 53.890 52.037 0.029 0.000 0.645 346 A CB -1.508 17.509 19.000 0.028 0.000 0.813 346 A HN 0.562 nan 8.150 nan 0.000 0.454 347 L N 0.012 121.272 121.223 0.062 0.000 2.046 347 L HA -0.155 4.185 4.340 0.000 0.000 0.208 347 L C 2.105 179.037 176.870 0.104 0.000 1.077 347 L CA 2.497 57.400 54.840 0.106 0.000 0.747 347 L CB -0.640 41.498 42.059 0.131 0.000 0.896 347 L HN 0.535 nan 8.230 nan 0.000 0.432 348 E N -1.210 119.036 120.200 0.077 0.000 2.208 348 E HA -0.130 4.220 4.350 0.000 0.000 0.193 348 E C 2.138 178.752 176.600 0.024 0.000 0.988 348 E CA 1.112 57.552 56.400 0.066 0.000 0.828 348 E CB -0.041 29.692 29.700 0.055 0.000 0.763 348 E HN 0.424 nan 8.360 nan 0.000 0.478 349 V N 1.429 121.352 119.914 0.015 0.000 2.307 349 V HA -0.234 3.886 4.120 0.000 0.000 0.245 349 V C 2.362 178.463 176.094 0.012 0.000 1.045 349 V CA 1.845 64.162 62.300 0.029 0.000 1.024 349 V CB -0.663 31.193 31.823 0.055 0.000 0.651 349 V HN 0.291 nan 8.190 nan 0.000 0.449 350 A N -0.427 122.310 122.820 -0.139 0.000 1.933 350 A HA -0.196 4.124 4.320 0.000 0.000 0.218 350 A C 2.491 179.618 177.584 -0.762 0.000 1.175 350 A CA 2.161 53.880 52.037 -0.529 0.000 0.628 350 A CB -0.702 17.978 19.000 -0.533 0.000 0.814 350 A HN 0.482 nan 8.150 nan 0.000 0.444 351 S N -0.589 114.957 115.700 -0.255 0.000 2.368 351 S HA -0.145 4.325 4.470 0.000 0.000 0.225 351 S C 1.851 176.443 174.600 -0.013 0.000 1.030 351 S CA 1.465 59.670 58.200 0.008 0.000 0.999 351 S CB -0.396 62.932 63.200 0.213 0.000 0.844 351 S HN 0.471 nan 8.310 nan 0.000 0.459 352 L N 0.490 121.672 121.223 -0.070 0.000 2.046 352 L HA -0.047 4.293 4.340 0.000 0.000 0.208 352 L C 1.847 178.610 176.870 -0.178 0.000 1.077 352 L CA 1.782 56.553 54.840 -0.116 0.000 0.747 352 L CB -0.801 41.154 42.059 -0.173 0.000 0.896 352 L HN 0.306 nan 8.230 nan 0.000 0.432 353 Y N -1.481 118.680 120.300 -0.232 0.000 2.242 353 Y HA -0.226 4.324 4.550 0.000 0.000 0.291 353 Y C 2.243 178.071 175.900 -0.119 0.000 1.137 353 Y CA 1.936 59.898 58.100 -0.229 0.000 1.181 353 Y CB -0.429 37.828 38.460 -0.338 0.000 0.989 353 Y HN 0.141 nan 8.280 nan 0.000 0.527 354 F N -0.383 119.572 119.950 0.009 0.000 2.075 354 F HA -0.230 4.297 4.527 0.000 0.000 0.297 354 F C 2.286 178.064 175.800 -0.037 0.000 1.113 354 F CA 0.866 58.823 58.000 -0.072 0.000 1.218 354 F CB -0.314 38.553 39.000 -0.222 0.000 0.984 354 F HN -0.164 nan 8.300 nan 0.000 0.472 355 R N -0.153 120.451 120.500 0.174 0.000 2.285 355 R HA -0.063 4.277 4.340 0.000 0.000 0.213 355 R C 1.806 178.129 176.300 0.038 0.000 1.068 355 R CA 1.006 57.164 56.100 0.097 0.000 1.004 355 R CB -0.269 30.080 30.300 0.081 0.000 0.873 355 R HN 0.075 nan 8.270 nan 0.000 0.467 356 S N -1.448 114.260 115.700 0.013 0.000 2.548 356 S HA 0.181 4.651 4.470 0.000 0.000 0.215 356 S C 1.179 175.767 174.600 -0.021 0.000 0.976 356 S CA 0.641 58.819 58.200 -0.036 0.000 0.908 356 S CB 1.221 64.354 63.200 -0.112 0.000 0.781 356 S HN 0.642 nan 8.310 nan 0.000 0.519 357 G N 0.710 109.525 108.800 0.026 0.000 2.485 357 G HA2 0.001 3.962 3.960 0.000 0.000 0.181 357 G HA3 0.001 3.962 3.960 0.000 0.000 0.181 357 G C 0.131 175.062 174.900 0.051 0.000 0.999 357 G CA -0.276 44.831 45.100 0.013 0.000 0.721 357 G HN 0.665 nan 8.290 nan 0.000 0.486 358 A N 0.520 123.413 122.820 0.122 0.000 2.425 358 A HA 0.594 4.914 4.320 0.000 0.000 0.249 358 A C 0.844 178.567 177.584 0.232 0.000 1.084 358 A CA 0.780 52.929 52.037 0.187 0.000 0.781 358 A CB 0.380 19.510 19.000 0.217 0.000 1.019 358 A HN 0.160 nan 8.150 nan 0.000 0.490 359 D N 0.437 120.917 120.400 0.133 0.000 2.423 359 D HA 0.131 4.771 4.640 0.000 0.000 0.212 359 D C -0.053 176.242 176.300 -0.009 0.000 1.060 359 D CA 0.950 54.936 54.000 -0.024 0.000 0.872 359 D CB 0.489 41.247 40.800 -0.070 0.000 1.012 359 D HN 0.571 nan 8.370 nan 0.000 0.503 360 K N 0.650 121.161 120.400 0.186 0.000 2.532 360 K HA 0.446 4.766 4.320 0.000 0.000 0.265 360 K C -0.909 175.827 176.600 0.226 0.000 0.948 360 K CA -0.785 55.635 56.287 0.222 0.000 0.842 360 K CB 3.533 36.097 32.500 0.107 0.000 1.392 360 K HN -0.210 nan 8.250 nan 0.000 0.436 361 V N -1.697 118.319 119.914 0.169 0.000 2.628 361 V HA 0.644 4.764 4.120 0.000 0.000 0.306 361 V C -0.366 175.713 176.094 -0.026 0.000 1.045 361 V CA -0.676 61.602 62.300 -0.036 0.000 0.905 361 V CB 1.719 33.421 31.823 -0.202 0.000 0.997 361 V HN 0.691 nan 8.190 nan 0.000 0.436 362 S N 4.114 119.774 115.700 -0.067 0.000 2.475 362 S HA 0.771 5.241 4.470 0.000 0.000 0.298 362 S C -0.635 173.926 174.600 -0.065 0.000 1.119 362 S CA -0.721 57.452 58.200 -0.044 0.000 1.085 362 S CB 0.672 63.855 63.200 -0.029 0.000 1.028 362 S HN 0.661 nan 8.310 nan 0.000 0.489 363 I N 4.734 125.277 120.570 -0.045 0.000 2.389 363 I HA 0.404 4.574 4.170 0.000 0.000 0.288 363 I C 1.031 177.119 176.117 -0.047 0.000 0.999 363 I CA -0.447 60.824 61.300 -0.049 0.000 1.129 363 I CB 0.755 38.735 38.000 -0.034 0.000 1.288 363 I HN 0.841 nan 8.210 nan 0.000 0.444 364 G N 3.776 112.541 108.800 -0.058 0.000 2.534 364 G HA2 -0.003 3.957 3.960 0.000 0.000 0.220 364 G HA3 -0.003 3.957 3.960 0.000 0.000 0.220 364 G C 1.028 175.865 174.900 -0.105 0.000 1.699 364 G CA 0.468 45.530 45.100 -0.064 0.000 0.769 364 G HN 0.459 nan 8.290 nan 0.000 0.632 365 T N 1.089 115.559 114.554 -0.140 0.000 2.635 365 T HA -0.147 4.203 4.350 0.000 0.000 0.267 365 T C 1.894 176.350 174.700 -0.407 0.000 1.040 365 T CA 2.009 63.942 62.100 -0.278 0.000 1.156 365 T CB -0.379 68.351 68.868 -0.230 0.000 0.863 365 T HN 0.221 nan 8.240 nan 0.000 0.430 366 D N 0.369 120.655 120.400 -0.189 0.000 2.310 366 D HA 0.110 4.750 4.640 0.000 0.000 0.212 366 D C 2.020 178.315 176.300 -0.010 0.000 0.965 366 D CA 0.666 54.640 54.000 -0.044 0.000 0.879 366 D CB -0.154 40.675 40.800 0.048 0.000 0.921 366 D HN 0.398 nan 8.370 nan 0.000 0.510 367 A N -0.475 122.312 122.820 -0.055 0.000 1.929 367 A HA -0.066 4.254 4.320 0.000 0.000 0.216 367 A C 2.284 179.870 177.584 0.002 0.000 1.176 367 A CA 0.796 52.821 52.037 -0.021 0.000 0.628 367 A CB -0.404 18.577 19.000 -0.033 0.000 0.816 367 A HN 0.162 nan 8.150 nan 0.000 0.444 368 V N -1.254 118.632 119.914 -0.047 0.000 2.453 368 V HA -0.263 3.857 4.120 0.000 0.000 0.247 368 V C 2.286 178.462 176.094 0.137 0.000 1.048 368 V CA 1.611 63.918 62.300 0.012 0.000 1.049 368 V CB -1.114 30.669 31.823 -0.067 0.000 0.672 368 V HN 0.699 nan 8.190 nan 0.000 0.457 369 Y N 0.389 120.730 120.300 0.068 0.000 2.145 369 Y HA -0.225 4.325 4.550 0.000 0.000 0.286 369 Y C 2.661 178.606 175.900 0.074 0.000 1.145 369 Y CA 0.803 58.944 58.100 0.068 0.000 1.148 369 Y CB -0.377 38.114 38.460 0.051 0.000 0.981 369 Y HN 0.254 nan 8.280 nan 0.000 0.507 370 A N 0.269 123.226 122.820 0.229 0.000 1.933 370 A HA -0.178 4.143 4.320 0.000 0.000 0.218 370 A C 2.338 180.002 177.584 0.133 0.000 1.175 370 A CA 1.661 53.785 52.037 0.144 0.000 0.628 370 A CB -0.997 18.055 19.000 0.087 0.000 0.814 370 A HN 0.451 nan 8.150 nan 0.000 0.444 371 A N -0.246 122.652 122.820 0.130 0.000 1.929 371 A HA -0.111 4.209 4.320 0.000 0.000 0.216 371 A C 1.908 179.672 177.584 0.300 0.000 1.176 371 A CA 1.490 53.613 52.037 0.142 0.000 0.628 371 A CB -0.433 18.662 19.000 0.158 0.000 0.816 371 A HN 0.621 nan 8.150 nan 0.000 0.444 372 E N -0.412 119.966 120.200 0.296 0.000 2.072 372 E HA -0.184 4.166 4.350 0.000 0.000 0.191 372 E C 2.059 178.808 176.600 0.249 0.000 0.985 372 E CA 1.303 57.888 56.400 0.308 0.000 0.801 372 E CB -0.111 29.735 29.700 0.245 0.000 0.750 372 E HN 0.611 nan 8.360 nan 0.000 0.452 373 K N 0.252 120.765 120.400 0.190 0.000 2.057 373 K HA -0.209 4.111 4.320 0.000 0.000 0.207 373 K C 2.131 178.796 176.600 0.108 0.000 1.049 373 K CA 1.150 57.513 56.287 0.127 0.000 0.931 373 K CB -0.197 32.366 32.500 0.106 0.000 0.714 373 K HN 0.105 nan 8.250 nan 0.000 0.440 374 Y N 0.174 120.455 120.300 -0.030 0.000 2.151 374 Y HA -0.311 4.239 4.550 0.000 0.000 0.284 374 Y C 1.548 177.338 175.900 -0.184 0.000 1.166 374 Y CA 1.897 59.903 58.100 -0.156 0.000 1.163 374 Y CB -0.343 37.936 38.460 -0.302 0.000 0.974 374 Y HN 0.135 nan 8.280 nan 0.000 0.511 375 Y N 0.116 120.463 120.300 0.078 0.000 2.373 375 Y HA -0.117 4.433 4.550 0.000 0.000 0.293 375 Y C 2.338 178.208 175.900 -0.050 0.000 1.129 375 Y CA 1.274 59.367 58.100 -0.012 0.000 1.226 375 Y CB -0.120 38.402 38.460 0.103 0.000 1.000 375 Y HN 0.216 nan 8.280 nan 0.000 0.549 376 E N 0.146 120.408 120.200 0.104 0.000 2.107 376 E HA -0.105 4.245 4.350 0.000 0.000 0.191 376 E C 1.533 178.128 176.600 -0.009 0.000 0.982 376 E CA 0.718 57.150 56.400 0.052 0.000 0.809 376 E CB -0.104 29.630 29.700 0.056 0.000 0.756 376 E HN 0.466 nan 8.360 nan 0.000 0.459 377 L N -0.050 121.137 121.223 -0.060 0.000 2.650 377 L HA 0.139 4.479 4.340 0.000 0.000 0.235 377 L C 0.937 177.726 176.870 -0.135 0.000 1.149 377 L CA 0.258 55.045 54.840 -0.089 0.000 0.887 377 L CB -0.212 41.790 42.059 -0.095 0.000 1.021 377 L HN 0.215 nan 8.230 nan 0.000 0.441 378 G N 1.029 109.743 108.800 -0.145 0.000 2.248 378 G HA2 -0.270 3.690 3.960 0.000 0.000 0.252 378 G HA3 -0.270 3.690 3.960 0.000 0.000 0.252 378 G C 0.113 174.854 174.900 -0.266 0.000 1.085 378 G CA -0.080 44.937 45.100 -0.138 0.000 0.845 378 G HN 0.494 nan 8.290 nan 0.000 0.494 379 N N -1.388 116.978 118.700 -0.556 0.000 2.756 379 N HA -0.163 4.577 4.740 0.000 0.000 0.248 379 N C 0.351 175.240 175.510 -1.035 0.000 1.062 379 N CA 1.916 54.292 53.050 -1.124 0.000 0.696 379 N CB -0.939 37.335 38.487 -0.355 0.000 0.946 379 N HN 1.025 nan 8.380 nan 0.000 0.548 380 R N -0.918 119.049 120.500 -0.888 0.000 2.739 380 R HA 0.744 5.084 4.340 0.000 0.000 0.271 380 R C 0.316 176.581 176.300 -0.059 0.000 1.010 380 R CA -0.596 55.350 56.100 -0.256 0.000 0.897 380 R CB 1.439 31.660 30.300 -0.132 0.000 1.236 380 R HN 0.092 nan 8.270 nan 0.000 0.466 381 G N -0.381 108.486 108.800 0.110 0.000 2.471 381 G HA2 0.319 4.279 3.960 0.000 0.000 0.332 381 G HA3 0.319 4.279 3.960 0.000 0.000 0.332 381 G C -0.240 174.693 174.900 0.054 0.000 1.176 381 G CA -0.589 44.584 45.100 0.121 0.000 0.949 381 G HN 0.734 nan 8.290 nan 0.000 0.488 382 D N -1.822 118.606 120.400 0.048 0.000 2.340 382 D HA 0.246 4.886 4.640 0.000 0.000 0.217 382 D C 1.580 177.901 176.300 0.034 0.000 1.081 382 D CA 0.460 54.479 54.000 0.031 0.000 0.842 382 D CB 0.185 41.001 40.800 0.026 0.000 0.934 382 D HN 0.990 nan 8.370 nan 0.000 0.511 383 G N 0.389 109.215 108.800 0.042 0.000 2.155 383 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 383 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 383 G C 1.073 175.997 174.900 0.041 0.000 0.983 383 G CA 1.054 46.178 45.100 0.040 0.000 0.676 383 G HN 0.666 nan 8.290 nan 0.000 0.528 384 T N -2.168 112.411 114.554 0.043 0.000 3.001 384 T HA 0.494 4.844 4.350 0.000 0.000 0.251 384 T C 1.420 176.149 174.700 0.048 0.000 1.040 384 T CA 1.135 63.261 62.100 0.043 0.000 0.985 384 T CB 0.191 69.081 68.868 0.037 0.000 1.011 384 T HN 1.485 nan 8.240 nan 0.000 0.509 385 S N 2.016 117.747 115.700 0.052 0.000 2.585 385 S HA 0.325 4.795 4.470 0.000 0.000 0.273 385 S C -1.727 172.903 174.600 0.050 0.000 1.339 385 S CA -1.000 57.233 58.200 0.056 0.000 1.028 385 S CB 1.158 64.392 63.200 0.058 0.000 0.906 385 S HN -0.031 nan 8.310 nan 0.000 0.528 386 P HA -0.127 nan 4.420 nan 0.000 0.216 386 P C 1.342 178.668 177.300 0.044 0.000 1.153 386 P CA 1.231 64.357 63.100 0.043 0.000 0.858 386 P CB -0.117 31.601 31.700 0.029 0.000 0.789 387 I N -0.606 119.983 120.570 0.032 0.000 2.163 387 I HA -0.260 3.910 4.170 0.000 0.000 0.243 387 I C 2.296 178.433 176.117 0.034 0.000 1.085 387 I CA 1.683 62.997 61.300 0.024 0.000 1.347 387 I CB -0.707 37.291 38.000 -0.003 0.000 1.044 387 I HN 0.016 nan 8.210 nan 0.000 0.408 388 E N 0.435 120.655 120.200 0.034 0.000 2.028 388 E HA -0.198 4.152 4.350 0.000 0.000 0.191 388 E C 2.252 178.883 176.600 0.052 0.000 0.988 388 E CA 2.120 58.543 56.400 0.039 0.000 0.799 388 E CB -0.161 29.562 29.700 0.039 0.000 0.755 388 E HN 0.603 nan 8.360 nan 0.000 0.447 389 T N -0.373 114.217 114.554 0.061 0.000 2.821 389 T HA -0.085 4.265 4.350 0.000 0.000 0.267 389 T C 2.004 176.766 174.700 0.104 0.000 1.046 389 T CA 0.816 62.960 62.100 0.073 0.000 1.139 389 T CB -0.354 68.559 68.868 0.075 0.000 0.871 389 T HN 0.043 nan 8.240 nan 0.000 0.454 390 I N 2.490 123.137 120.570 0.130 0.000 2.286 390 I HA -0.118 4.052 4.170 0.000 0.000 0.245 390 I C 3.042 179.289 176.117 0.217 0.000 1.104 390 I CA 1.405 62.840 61.300 0.224 0.000 1.397 390 I CB -0.433 37.678 38.000 0.186 0.000 1.072 390 I HN 0.428 nan 8.210 nan 0.000 0.417 391 S N 0.588 116.363 115.700 0.126 0.000 2.428 391 S HA -0.109 4.361 4.470 0.000 0.000 0.230 391 S C 1.894 176.528 174.600 0.057 0.000 1.014 391 S CA 0.664 58.920 58.200 0.094 0.000 0.957 391 S CB -0.286 62.952 63.200 0.064 0.000 0.784 391 S HN 0.379 nan 8.310 nan 0.000 0.499 392 K N 1.042 121.464 120.400 0.038 0.000 2.228 392 K HA 0.280 4.600 4.320 0.000 0.000 0.202 392 K C 2.258 178.820 176.600 -0.064 0.000 1.051 392 K CA 0.846 57.136 56.287 0.006 0.000 0.960 392 K CB -0.206 32.306 32.500 0.020 0.000 0.743 392 K HN 0.497 nan 8.250 nan 0.000 0.458 393 A N -0.155 122.580 122.820 -0.142 0.000 1.901 393 A HA 0.005 4.325 4.320 0.000 0.000 0.210 393 A C 1.247 178.295 177.584 -0.893 0.000 1.208 393 A CA 0.761 52.456 52.037 -0.569 0.000 0.644 393 A CB -0.199 18.464 19.000 -0.562 0.000 0.863 393 A HN 0.242 nan 8.150 nan 0.000 0.454 394 Y N -0.438 119.726 120.300 -0.228 0.000 2.467 394 Y HA 0.434 4.984 4.550 0.000 0.000 0.250 394 Y C 1.292 177.128 175.900 -0.107 0.000 1.155 394 Y CA 0.124 58.105 58.100 -0.199 0.000 1.249 394 Y CB 0.312 38.650 38.460 -0.202 0.000 1.146 394 Y HN 0.518 nan 8.280 nan 0.000 0.524 395 G N 0.315 109.146 108.800 0.052 0.000 2.699 395 G HA2 -0.017 3.943 3.960 0.000 0.000 0.686 395 G HA3 -0.017 3.943 3.960 0.000 0.000 0.686 395 G C 0.731 175.683 174.900 0.087 0.000 1.301 395 G CA -0.476 44.671 45.100 0.079 0.000 0.816 395 G HN 0.418 nan 8.290 nan 0.000 0.595 396 A N 0.362 123.233 122.820 0.085 0.000 1.972 396 A HA -0.060 4.260 4.320 0.000 0.000 0.219 396 A C 2.425 180.033 177.584 0.040 0.000 1.169 396 A CA 2.462 54.531 52.037 0.053 0.000 0.635 396 A CB -0.392 18.626 19.000 0.031 0.000 0.810 396 A HN 1.652 nan 8.150 nan 0.000 0.446 397 Q N -0.284 119.541 119.800 0.041 0.000 2.439 397 Q HA -0.004 4.336 4.340 0.000 0.000 0.211 397 Q C 1.468 177.485 176.000 0.028 0.000 0.978 397 Q CA 1.534 57.353 55.803 0.028 0.000 0.897 397 Q CB -0.568 28.189 28.738 0.033 0.000 0.956 397 Q HN 0.580 nan 8.270 nan 0.000 0.483 398 A N 0.404 123.245 122.820 0.035 0.000 2.267 398 A HA 0.340 4.660 4.320 0.000 0.000 0.213 398 A C 0.533 178.188 177.584 0.118 0.000 1.192 398 A CA -0.125 51.932 52.037 0.033 0.000 0.851 398 A CB 0.647 19.630 19.000 -0.027 0.000 0.881 398 A HN 0.126 nan 8.150 nan 0.000 0.494 399 V N 1.158 121.123 119.914 0.084 0.000 2.409 399 V HA 0.427 4.547 4.120 0.000 0.000 0.291 399 V C -0.668 175.446 176.094 0.034 0.000 1.020 399 V CA -0.554 61.786 62.300 0.068 0.000 0.848 399 V CB 1.442 33.300 31.823 0.058 0.000 0.990 399 V HN 0.068 nan 8.190 nan 0.000 0.430 400 V N 5.671 125.601 119.914 0.026 0.000 2.555 400 V HA 0.524 4.645 4.120 0.000 0.000 0.302 400 V C -0.319 175.771 176.094 -0.007 0.000 1.038 400 V CA -0.659 61.647 62.300 0.010 0.000 0.887 400 V CB 2.143 33.978 31.823 0.020 0.000 0.991 400 V HN 0.580 nan 8.190 nan 0.000 0.434 401 I N 3.047 123.607 120.570 -0.017 0.000 2.312 401 I HA 0.297 4.467 4.170 0.000 0.000 0.290 401 I C 0.479 176.583 176.117 -0.022 0.000 1.008 401 I CA 0.200 61.485 61.300 -0.025 0.000 1.226 401 I CB 1.458 39.437 38.000 -0.034 0.000 1.371 401 I HN 0.616 nan 8.210 nan 0.000 0.468 402 S N 6.335 122.022 115.700 -0.022 0.000 2.411 402 S HA 0.433 4.903 4.470 0.000 0.000 0.294 402 S C -0.310 174.280 174.600 -0.016 0.000 1.115 402 S CA -0.434 57.755 58.200 -0.018 0.000 1.071 402 S CB 0.193 63.382 63.200 -0.019 0.000 0.967 402 S HN 0.324 nan 8.310 nan 0.000 0.488 403 V N 5.913 125.821 119.914 -0.010 0.000 2.370 403 V HA 0.402 4.522 4.120 0.000 0.000 0.279 403 V C -0.328 175.772 176.094 0.010 0.000 1.029 403 V CA -0.674 61.628 62.300 0.003 0.000 0.870 403 V CB 1.604 33.429 31.823 0.004 0.000 0.984 403 V HN 0.778 nan 8.190 nan 0.000 0.451 404 D N 6.855 127.266 120.400 0.018 0.000 2.456 404 D HA 0.306 4.946 4.640 0.000 0.000 0.287 404 D C -2.640 173.685 176.300 0.042 0.000 1.186 404 D CA -0.892 53.121 54.000 0.022 0.000 0.916 404 D CB 2.080 42.884 40.800 0.007 0.000 1.029 404 D HN 0.358 nan 8.370 nan 0.000 0.498 405 P HA 0.337 nan 4.420 nan 0.000 0.283 405 P C -0.653 176.716 177.300 0.115 0.000 1.278 405 P CA -0.638 62.537 63.100 0.126 0.000 0.834 405 P CB 1.990 33.825 31.700 0.225 0.000 1.150 406 K N -0.169 120.265 120.400 0.056 0.000 2.543 406 K HA 0.417 4.737 4.320 0.000 0.000 0.255 406 K C -0.805 175.541 176.600 -0.422 0.000 0.934 406 K CA -0.982 55.248 56.287 -0.096 0.000 0.810 406 K CB 2.125 34.552 32.500 -0.120 0.000 1.315 406 K HN 0.341 nan 8.250 nan 0.000 0.433 407 R N 2.169 122.268 120.500 -0.669 0.000 2.537 407 R HA 0.235 4.575 4.340 0.000 0.000 0.280 407 R C -1.100 174.711 176.300 -0.816 0.000 1.058 407 R CA -0.243 55.180 56.100 -1.128 0.000 1.057 407 R CB 0.721 30.414 30.300 -1.012 0.000 0.973 407 R HN 0.461 nan 8.270 nan 0.000 0.438 408 V N 6.101 125.424 119.914 -0.985 0.000 2.482 408 V HA 0.253 4.373 4.120 0.000 0.000 0.295 408 V C -1.007 174.737 176.094 -0.584 0.000 1.026 408 V CA -0.753 61.092 62.300 -0.758 0.000 0.856 408 V CB 1.268 32.429 31.823 -1.103 0.000 1.001 408 V HN 0.690 nan 8.190 nan 0.000 0.424 409 Y N 3.795 123.950 120.300 -0.242 0.000 2.301 409 Y HA 0.629 5.179 4.550 0.000 0.000 0.325 409 Y C 0.434 176.336 175.900 0.003 0.000 1.203 409 Y CA -0.229 57.800 58.100 -0.117 0.000 1.255 409 Y CB 1.827 40.228 38.460 -0.099 0.000 1.232 409 Y HN 0.557 nan 8.280 nan 0.000 0.501 410 V N -0.597 119.462 119.914 0.242 0.000 3.049 410 V HA 0.411 4.531 4.120 0.000 0.000 0.309 410 V C -0.136 176.073 176.094 0.190 0.000 1.148 410 V CA -1.110 61.305 62.300 0.191 0.000 0.990 410 V CB 2.177 34.109 31.823 0.181 0.000 1.039 410 V HN 0.794 nan 8.190 nan 0.000 0.430 411 N N 1.356 120.134 118.700 0.130 0.000 2.331 411 N HA 0.030 4.770 4.740 0.000 0.000 0.180 411 N C 0.677 176.287 175.510 0.168 0.000 1.019 411 N CA 1.448 54.580 53.050 0.138 0.000 0.881 411 N CB 0.307 38.837 38.487 0.072 0.000 0.972 411 N HN 1.075 nan 8.380 nan 0.000 0.435 412 S N -1.671 114.046 115.700 0.028 0.000 2.636 412 S HA 0.181 4.652 4.470 0.000 0.000 0.268 412 S C 0.312 174.770 174.600 -0.238 0.000 1.159 412 S CA -0.717 57.358 58.200 -0.208 0.000 0.815 412 S CB 1.966 65.067 63.200 -0.165 0.000 1.130 412 S HN -0.115 nan 8.310 nan 0.000 0.471 413 Q N 0.761 120.346 119.800 -0.358 0.000 2.291 413 Q HA 0.181 4.521 4.340 0.000 0.000 0.206 413 Q C 1.880 177.765 176.000 -0.192 0.000 0.976 413 Q CA 2.080 57.721 55.803 -0.270 0.000 0.875 413 Q CB -0.799 27.769 28.738 -0.282 0.000 0.927 413 Q HN 0.909 nan 8.270 nan 0.000 0.450 414 A N 0.049 122.774 122.820 -0.159 0.000 2.121 414 A HA -0.112 4.208 4.320 0.000 0.000 0.218 414 A C 1.302 178.829 177.584 -0.095 0.000 1.154 414 A CA 1.374 53.343 52.037 -0.114 0.000 0.679 414 A CB -0.219 18.727 19.000 -0.089 0.000 0.795 414 A HN 0.404 nan 8.150 nan 0.000 0.458 415 D N -0.956 119.391 120.400 -0.088 0.000 2.340 415 D HA 0.060 4.700 4.640 0.000 0.000 0.220 415 D C 0.380 176.628 176.300 -0.087 0.000 1.039 415 D CA 0.979 54.946 54.000 -0.055 0.000 0.866 415 D CB 0.375 41.173 40.800 -0.004 0.000 0.913 415 D HN 0.358 nan 8.370 nan 0.000 0.523 416 T N -0.717 113.735 114.554 -0.171 0.000 2.885 416 T HA 0.185 4.535 4.350 0.000 0.000 0.322 416 T C 0.226 174.733 174.700 -0.322 0.000 1.387 416 T CA -0.709 61.213 62.100 -0.296 0.000 1.041 416 T CB 1.717 70.256 68.868 -0.548 0.000 1.287 416 T HN -0.092 nan 8.240 nan 0.000 0.491 417 K N 1.949 122.146 120.400 -0.338 0.000 2.365 417 K HA 0.221 4.541 4.320 0.000 0.000 0.197 417 K C 0.608 177.010 176.600 -0.330 0.000 1.042 417 K CA 0.329 56.451 56.287 -0.275 0.000 0.987 417 K CB 0.024 32.395 32.500 -0.214 0.000 0.779 417 K HN 0.275 nan 8.250 nan 0.000 0.484 418 N N 2.425 120.812 118.700 -0.522 0.000 2.529 418 N HA 0.019 4.759 4.740 0.000 0.000 0.278 418 N C -0.715 174.580 175.510 -0.360 0.000 1.146 418 N CA -0.259 52.498 53.050 -0.490 0.000 0.980 418 N CB 1.258 39.221 38.487 -0.874 0.000 1.124 418 N HN 0.052 nan 8.380 nan 0.000 0.458 419 K N 1.465 121.746 120.400 -0.199 0.000 2.472 419 K HA 0.081 4.401 4.320 0.000 0.000 0.280 419 K C -0.383 176.173 176.600 -0.073 0.000 1.028 419 K CA -0.202 55.936 56.287 -0.248 0.000 1.045 419 K CB 0.013 32.136 32.500 -0.627 0.000 0.902 419 K HN 0.378 nan 8.250 nan 0.000 0.478 420 V N 1.854 121.710 119.914 -0.098 0.000 3.096 420 V HA 0.872 4.992 4.120 0.000 0.000 0.319 420 V C -0.629 175.498 176.094 0.055 0.000 1.103 420 V CA -0.906 61.382 62.300 -0.020 0.000 1.016 420 V CB 1.168 32.968 31.823 -0.038 0.000 1.090 420 V HN 0.728 nan 8.190 nan 0.000 0.449 421 F N -1.249 118.726 119.950 0.041 0.000 2.613 421 F HA 0.741 5.268 4.527 0.000 0.000 0.310 421 F C -0.535 175.358 175.800 0.156 0.000 1.085 421 F CA -1.247 56.795 58.000 0.069 0.000 0.945 421 F CB 1.674 40.658 39.000 -0.028 0.000 1.298 421 F HN 0.798 nan 8.300 nan 0.000 0.455 422 E N 1.728 122.159 120.200 0.385 0.000 2.223 422 E HA 0.290 4.640 4.350 0.000 0.000 0.282 422 E C -0.731 175.967 176.600 0.164 0.000 1.046 422 E CA -0.249 56.161 56.400 0.018 0.000 0.857 422 E CB 0.927 30.586 29.700 -0.069 0.000 1.055 422 E HN 0.838 nan 8.360 nan 0.000 0.409 423 T N 2.477 117.029 114.554 -0.004 0.000 2.934 423 T HA 0.091 4.442 4.350 0.000 0.000 0.283 423 T C 0.784 175.425 174.700 -0.097 0.000 1.005 423 T CA -0.479 61.677 62.100 0.093 0.000 1.041 423 T CB 1.534 70.469 68.868 0.112 0.000 1.042 423 T HN 0.692 nan 8.240 nan 0.000 0.505 424 E N 1.507 121.535 120.200 -0.288 0.000 2.371 424 E HA 0.029 4.379 4.350 0.000 0.000 0.194 424 E C -0.716 175.553 176.600 -0.553 0.000 1.012 424 E CA 0.289 56.382 56.400 -0.511 0.000 0.860 424 E CB 0.217 29.455 29.700 -0.769 0.000 0.811 424 E HN 0.729 nan 8.360 nan 0.000 0.502 425 Y N 2.125 122.475 120.300 0.083 0.000 2.478 425 Y HA 0.333 4.883 4.550 0.000 0.000 0.329 425 Y C -2.099 173.860 175.900 0.097 0.000 0.967 425 Y CA -3.008 55.142 58.100 0.083 0.000 1.255 425 Y CB 0.742 39.270 38.460 0.114 0.000 1.103 425 Y HN 0.018 nan 8.280 nan 0.000 0.497 426 P HA 0.015 nan 4.420 nan 0.000 0.267 426 P C 0.561 177.670 177.300 -0.318 0.000 1.200 426 P CA 0.148 63.209 63.100 -0.065 0.000 0.772 426 P CB 1.205 32.856 31.700 -0.081 0.000 0.855 427 G N 2.310 110.657 108.800 -0.754 0.000 2.621 427 G HA2 0.237 4.197 3.960 0.000 0.000 0.271 427 G HA3 0.237 4.197 3.960 0.000 0.000 0.271 427 G C -1.570 172.992 174.900 -0.563 0.000 1.236 427 G CA -1.173 43.118 45.100 -1.347 0.000 0.958 427 G HN 0.269 nan 8.290 nan 0.000 0.512 428 P HA -0.111 nan 4.420 nan 0.000 0.217 428 P C 1.042 178.247 177.300 -0.158 0.000 1.151 428 P CA 1.159 64.130 63.100 -0.215 0.000 0.849 428 P CB 0.208 31.817 31.700 -0.152 0.000 0.787 429 N N -2.023 116.579 118.700 -0.163 0.000 2.273 429 N HA 0.162 4.902 4.740 0.000 0.000 0.231 429 N C 0.947 176.397 175.510 -0.099 0.000 1.134 429 N CA 0.792 53.781 53.050 -0.102 0.000 0.856 429 N CB 0.533 38.980 38.487 -0.068 0.000 1.068 429 N HN 0.137 nan 8.380 nan 0.000 0.510 430 G N 1.284 110.000 108.800 -0.140 0.000 2.143 430 G HA2 -0.276 3.685 3.960 0.000 0.000 0.249 430 G HA3 -0.276 3.685 3.960 0.000 0.000 0.249 430 G C -0.259 174.581 174.900 -0.101 0.000 0.981 430 G CA -0.213 44.820 45.100 -0.112 0.000 0.665 430 G HN 0.350 nan 8.290 nan 0.000 0.528 431 E N 0.259 120.384 120.200 -0.125 0.000 2.480 431 E HA 0.372 4.722 4.350 0.000 0.000 0.258 431 E C 1.194 177.790 176.600 -0.007 0.000 0.984 431 E CA 0.443 56.831 56.400 -0.020 0.000 0.930 431 E CB 0.558 30.288 29.700 0.049 0.000 0.936 431 E HN 0.468 nan 8.360 nan 0.000 0.466 432 K N 2.123 122.497 120.400 -0.044 0.000 2.374 432 K HA 0.099 4.419 4.320 0.000 0.000 0.196 432 K C -0.488 175.819 176.600 -0.488 0.000 1.023 432 K CA 0.169 56.300 56.287 -0.262 0.000 1.103 432 K CB 0.381 32.640 32.500 -0.402 0.000 0.848 432 K HN 0.446 nan 8.250 nan 0.000 0.528 433 Y N -0.229 120.093 120.300 0.036 0.000 2.570 433 Y HA 0.408 4.958 4.550 0.000 0.000 0.345 433 Y C 0.103 175.919 175.900 -0.141 0.000 1.014 433 Y CA -1.268 56.786 58.100 -0.076 0.000 1.063 433 Y CB 1.722 40.148 38.460 -0.057 0.000 1.272 433 Y HN 0.050 nan 8.280 nan 0.000 0.477 434 C N -0.159 118.988 119.300 -0.255 0.000 3.307 434 C HA 0.786 5.246 4.460 0.000 0.000 0.333 434 C C -1.781 172.953 174.990 -0.427 0.000 1.291 434 C CA -1.145 57.602 59.018 -0.451 0.000 1.273 434 C CB 1.135 28.323 27.740 -0.919 0.000 1.580 434 C HN 1.089 nan 8.230 nan 0.000 0.481 435 W N -0.396 120.636 121.300 -0.447 0.000 3.029 435 W HA 0.720 5.380 4.660 0.000 0.000 0.339 435 W C -2.473 173.945 176.519 -0.168 0.000 1.198 435 W CA -1.494 55.737 57.345 -0.189 0.000 1.148 435 W CB 0.567 29.988 29.460 -0.066 0.000 1.451 435 W HN 0.762 nan 8.180 nan 0.000 0.564 436 Y N 1.923 122.260 120.300 0.062 0.000 2.331 436 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 436 Y C 0.607 176.464 175.900 -0.072 0.000 0.976 436 Y CA -0.657 57.381 58.100 -0.103 0.000 1.137 436 Y CB 1.775 40.293 38.460 0.097 0.000 1.172 436 Y HN 0.389 nan 8.280 nan 0.000 0.478 437 Q N 2.736 122.334 119.800 -0.337 0.000 2.261 437 Q HA 0.429 4.769 4.340 0.000 0.000 0.252 437 Q C -0.973 175.047 176.000 0.034 0.000 0.915 437 Q CA -0.526 55.162 55.803 -0.191 0.000 0.915 437 Q CB 0.721 29.162 28.738 -0.495 0.000 1.204 437 Q HN 0.791 nan 8.270 nan 0.000 0.421 438 C N 3.163 122.547 119.300 0.139 0.000 2.466 438 C HA 0.603 5.063 4.460 0.000 0.000 0.379 438 C C 0.554 175.583 174.990 0.065 0.000 1.251 438 C CA -0.467 58.615 59.018 0.107 0.000 2.263 438 C CB 0.227 28.045 27.740 0.131 0.000 2.511 438 C HN 0.900 nan 8.230 nan 0.000 0.573 439 T N 0.728 115.302 114.554 0.033 0.000 2.930 439 T HA 0.855 5.205 4.350 0.000 0.000 0.290 439 T C -0.649 174.043 174.700 -0.014 0.000 1.052 439 T CA -0.599 61.509 62.100 0.014 0.000 1.017 439 T CB 1.358 70.229 68.868 0.005 0.000 1.137 439 T HN 0.787 nan 8.240 nan 0.000 0.511 440 I N -2.590 117.964 120.570 -0.028 0.000 3.264 440 I HA 0.669 4.839 4.170 0.000 0.000 0.315 440 I C -0.984 175.109 176.117 -0.040 0.000 1.154 440 I CA -1.842 59.413 61.300 -0.074 0.000 0.962 440 I CB 1.908 39.813 38.000 -0.158 0.000 1.265 440 I HN 0.784 nan 8.210 nan 0.000 0.463 441 K N 2.289 122.659 120.400 -0.049 0.000 3.653 441 K HA -0.147 4.173 4.320 0.000 0.000 0.275 441 K C 0.693 177.290 176.600 -0.006 0.000 0.962 441 K CA 0.670 56.948 56.287 -0.016 0.000 0.773 441 K CB -1.941 30.564 32.500 0.009 0.000 1.463 441 K HN 1.456 nan 8.250 nan 0.000 0.450 442 G N -0.673 108.121 108.800 -0.011 0.000 2.225 442 G HA2 -0.163 3.798 3.960 0.000 0.000 0.267 442 G HA3 -0.163 3.798 3.960 0.000 0.000 0.267 442 G C 0.890 175.790 174.900 -0.000 0.000 1.024 442 G CA 0.948 46.046 45.100 -0.003 0.000 0.784 442 G HN 1.629 nan 8.290 nan 0.000 0.507 443 G N -1.379 107.419 108.800 -0.003 0.000 2.159 443 G HA2 -0.319 3.642 3.960 0.000 0.000 0.256 443 G HA3 -0.319 3.642 3.960 0.000 0.000 0.256 443 G C 1.043 175.944 174.900 0.003 0.000 0.977 443 G CA 1.160 46.260 45.100 -0.001 0.000 0.652 443 G HN 0.948 nan 8.290 nan 0.000 0.531 444 R N 0.087 120.591 120.500 0.007 0.000 2.240 444 R HA 0.202 4.542 4.340 0.000 0.000 0.203 444 R C 0.821 177.131 176.300 0.018 0.000 1.011 444 R CA 0.943 57.051 56.100 0.012 0.000 1.007 444 R CB 0.368 30.677 30.300 0.015 0.000 0.911 444 R HN 0.553 nan 8.270 nan 0.000 0.468 445 E N 0.490 120.702 120.200 0.020 0.000 2.290 445 E HA 0.236 4.586 4.350 0.000 0.000 0.274 445 E C -1.289 175.332 176.600 0.034 0.000 0.889 445 E CA -0.302 56.118 56.400 0.033 0.000 0.760 445 E CB 1.913 31.642 29.700 0.049 0.000 1.206 445 E HN -0.090 nan 8.360 nan 0.000 0.419 446 S N 2.650 118.375 115.700 0.041 0.000 2.646 446 S HA 0.582 5.052 4.470 0.000 0.000 0.276 446 S C -0.355 174.295 174.600 0.083 0.000 1.222 446 S CA -0.759 57.471 58.200 0.050 0.000 1.014 446 S CB 1.018 64.240 63.200 0.037 0.000 0.991 446 S HN 0.372 nan 8.310 nan 0.000 0.533 447 R N 0.916 121.482 120.500 0.109 0.000 2.771 447 R HA 0.274 4.614 4.340 0.000 0.000 0.274 447 R C -1.353 175.063 176.300 0.192 0.000 0.987 447 R CA -0.736 55.449 56.100 0.143 0.000 0.908 447 R CB 1.443 31.830 30.300 0.144 0.000 1.213 447 R HN 0.564 nan 8.270 nan 0.000 0.468 448 D N 1.951 122.460 120.400 0.181 0.000 2.934 448 D HA 0.178 4.818 4.640 0.000 0.000 0.237 448 D C -0.932 175.465 176.300 0.163 0.000 1.158 448 D CA -0.021 54.096 54.000 0.195 0.000 0.971 448 D CB -0.295 40.572 40.800 0.111 0.000 1.123 448 D HN 0.107 nan 8.370 nan 0.000 0.467 449 L N 0.609 121.984 121.223 0.255 0.000 2.436 449 L HA 0.722 5.062 4.340 0.000 0.000 0.268 449 L C 0.105 177.207 176.870 0.387 0.000 0.974 449 L CA -0.646 54.331 54.840 0.228 0.000 0.826 449 L CB 2.007 44.189 42.059 0.206 0.000 1.291 449 L HN 0.085 nan 8.230 nan 0.000 0.406 450 G N 2.500 111.519 108.800 0.366 0.000 2.477 450 G HA2 0.439 4.399 3.960 0.000 0.000 0.304 450 G HA3 0.439 4.399 3.960 0.000 0.000 0.304 450 G C 0.571 175.725 174.900 0.423 0.000 1.175 450 G CA -0.315 45.118 45.100 0.555 0.000 0.907 450 G HN 0.542 nan 8.290 nan 0.000 0.509 451 V N 0.763 120.953 119.914 0.461 0.000 2.515 451 V HA -0.106 4.014 4.120 0.000 0.000 0.250 451 V C 2.098 178.357 176.094 0.276 0.000 1.058 451 V CA 1.488 63.983 62.300 0.324 0.000 1.064 451 V CB -0.473 31.539 31.823 0.315 0.000 0.675 451 V HN 0.804 nan 8.190 nan 0.000 0.461 452 W N 1.176 122.588 121.300 0.188 0.000 2.355 452 W HA -0.199 4.461 4.660 0.000 0.000 0.309 452 W C 2.149 178.722 176.519 0.089 0.000 1.206 452 W CA 2.121 59.498 57.345 0.054 0.000 1.284 452 W CB -0.164 29.371 29.460 0.126 0.000 1.145 452 W HN 0.328 nan 8.180 nan 0.000 0.502 453 E N 0.646 121.072 120.200 0.375 0.000 2.072 453 E HA -0.201 4.149 4.350 0.000 0.000 0.191 453 E C 1.974 178.762 176.600 0.314 0.000 0.985 453 E CA 1.508 58.084 56.400 0.295 0.000 0.801 453 E CB -1.046 28.710 29.700 0.093 0.000 0.750 453 E HN 0.222 nan 8.360 nan 0.000 0.452 454 L N 0.832 122.191 121.223 0.226 0.000 1.994 454 L HA -0.195 4.145 4.340 0.000 0.000 0.208 454 L C 2.336 179.223 176.870 0.028 0.000 1.071 454 L CA 2.504 57.434 54.840 0.151 0.000 0.745 454 L CB -1.153 40.983 42.059 0.129 0.000 0.892 454 L HN 0.346 nan 8.230 nan 0.000 0.431 455 T N -2.718 111.822 114.554 -0.023 0.000 2.746 455 T HA -0.229 4.121 4.350 0.000 0.000 0.267 455 T C 2.047 176.644 174.700 -0.172 0.000 1.039 455 T CA 1.505 63.540 62.100 -0.109 0.000 1.142 455 T CB -0.586 68.194 68.868 -0.147 0.000 0.866 455 T HN 0.382 nan 8.240 nan 0.000 0.444 456 R N 1.276 121.653 120.500 -0.205 0.000 2.096 456 R HA 0.167 4.507 4.340 0.000 0.000 0.235 456 R C 3.013 179.165 176.300 -0.247 0.000 1.127 456 R CA 1.245 57.208 56.100 -0.228 0.000 0.968 456 R CB -0.693 29.464 30.300 -0.239 0.000 0.861 456 R HN 0.554 nan 8.270 nan 0.000 0.440 457 A N 0.601 123.268 122.820 -0.255 0.000 1.858 457 A HA -0.180 4.140 4.320 0.000 0.000 0.216 457 A C 2.359 179.580 177.584 -0.605 0.000 1.190 457 A CA 1.469 53.090 52.037 -0.694 0.000 0.617 457 A CB -0.917 17.791 19.000 -0.487 0.000 0.827 457 A HN 0.461 nan 8.150 nan 0.000 0.443 458 C N -0.671 118.446 119.300 -0.305 0.000 2.422 458 C HA -0.070 4.390 4.460 0.000 0.000 0.279 458 C C 2.614 177.490 174.990 -0.190 0.000 1.305 458 C CA 1.134 60.027 59.018 -0.208 0.000 1.757 458 C CB -1.227 26.443 27.740 -0.116 0.000 1.962 458 C HN 0.726 nan 8.230 nan 0.000 0.499 459 E N 0.788 120.868 120.200 -0.200 0.000 2.106 459 E HA -0.143 4.207 4.350 0.000 0.000 0.192 459 E C 2.250 178.752 176.600 -0.163 0.000 0.984 459 E CA 1.179 57.482 56.400 -0.161 0.000 0.806 459 E CB -0.085 29.515 29.700 -0.167 0.000 0.750 459 E HN 0.636 nan 8.360 nan 0.000 0.458 460 A N 0.842 123.517 122.820 -0.242 0.000 1.929 460 A HA -0.073 4.247 4.320 0.000 0.000 0.216 460 A C 2.095 179.586 177.584 -0.156 0.000 1.176 460 A CA 0.657 52.571 52.037 -0.205 0.000 0.628 460 A CB -0.428 18.385 19.000 -0.312 0.000 0.816 460 A HN 0.249 nan 8.150 nan 0.000 0.444 461 L N -1.521 119.572 121.223 -0.217 0.000 2.465 461 L HA 0.094 4.434 4.340 0.000 0.000 0.224 461 L C 1.704 178.544 176.870 -0.050 0.000 1.145 461 L CA 0.777 55.550 54.840 -0.111 0.000 0.834 461 L CB -0.142 41.840 42.059 -0.129 0.000 0.944 461 L HN 0.617 nan 8.230 nan 0.000 0.451 462 G N -1.057 107.708 108.800 -0.058 0.000 2.227 462 G HA2 -0.129 3.831 3.960 0.000 0.000 0.168 462 G HA3 -0.129 3.831 3.960 0.000 0.000 0.168 462 G C 0.327 175.217 174.900 -0.017 0.000 1.006 462 G CA -0.253 44.836 45.100 -0.019 0.000 0.684 462 G HN 0.384 nan 8.290 nan 0.000 0.489 463 A N 0.353 123.148 122.820 -0.042 0.000 2.498 463 A HA 0.611 4.931 4.320 0.000 0.000 0.239 463 A C 1.560 179.124 177.584 -0.034 0.000 1.068 463 A CA 1.438 53.455 52.037 -0.033 0.000 0.766 463 A CB 0.659 19.627 19.000 -0.053 0.000 1.003 463 A HN 1.486 nan 8.150 nan 0.000 0.497 464 G N 0.262 109.051 108.800 -0.018 0.000 2.939 464 G HA2 0.396 4.356 3.960 0.000 0.000 0.216 464 G HA3 0.396 4.356 3.960 0.000 0.000 0.216 464 G C 0.290 175.171 174.900 -0.031 0.000 1.125 464 G CA 0.616 45.701 45.100 -0.025 0.000 0.766 464 G HN 0.809 nan 8.290 nan 0.000 0.541 465 E N -0.233 119.952 120.200 -0.024 0.000 2.390 465 E HA 0.439 4.789 4.350 0.000 0.000 0.280 465 E C -1.708 174.876 176.600 -0.027 0.000 0.992 465 E CA -0.782 55.606 56.400 -0.021 0.000 0.790 465 E CB 1.836 31.540 29.700 0.005 0.000 1.248 465 E HN -0.160 nan 8.360 nan 0.000 0.447 466 I N 3.845 124.394 120.570 -0.034 0.000 2.389 466 I HA 0.244 4.414 4.170 0.000 0.000 0.288 466 I C -0.577 175.521 176.117 -0.033 0.000 0.999 466 I CA -0.789 60.487 61.300 -0.041 0.000 1.129 466 I CB 1.155 39.117 38.000 -0.063 0.000 1.288 466 I HN 0.483 nan 8.210 nan 0.000 0.444 467 L N 8.338 129.547 121.223 -0.024 0.000 2.288 467 L HA 0.360 4.700 4.340 0.000 0.000 0.283 467 L C -0.669 176.182 176.870 -0.032 0.000 1.072 467 L CA -0.326 54.502 54.840 -0.021 0.000 0.862 467 L CB 0.594 42.650 42.059 -0.004 0.000 1.245 467 L HN 0.447 nan 8.230 nan 0.000 0.432 468 L N 5.642 126.833 121.223 -0.054 0.000 2.328 468 L HA 0.420 4.761 4.340 0.000 0.000 0.280 468 L C -0.006 176.834 176.870 -0.050 0.000 1.111 468 L CA 0.276 55.080 54.840 -0.060 0.000 0.909 468 L CB -0.333 41.670 42.059 -0.094 0.000 1.277 468 L HN 0.689 nan 8.230 nan 0.000 0.433 469 N N 2.818 121.506 118.700 -0.019 0.000 2.405 469 N HA 0.541 5.281 4.740 0.000 0.000 0.269 469 N C -1.085 174.431 175.510 0.010 0.000 1.249 469 N CA -0.416 52.634 53.050 0.000 0.000 0.974 469 N CB 0.956 39.448 38.487 0.008 0.000 1.204 469 N HN 0.527 nan 8.380 nan 0.000 0.565 470 C N 0.881 120.196 119.300 0.025 0.000 2.727 470 C HA 0.379 4.839 4.460 0.000 0.000 0.369 470 C C 1.218 176.227 174.990 0.032 0.000 1.067 470 C CA -0.632 58.415 59.018 0.050 0.000 1.273 470 C CB -1.092 26.683 27.740 0.059 0.000 1.778 470 C HN 0.851 nan 8.230 nan 0.000 0.467 471 I N 2.561 123.150 120.570 0.032 0.000 2.264 471 I HA -0.144 4.026 4.170 0.000 0.000 0.248 471 I C 1.701 177.815 176.117 -0.004 0.000 1.111 471 I CA 1.622 62.927 61.300 0.009 0.000 1.382 471 I CB -0.032 37.969 38.000 0.002 0.000 1.060 471 I HN 0.712 nan 8.210 nan 0.000 0.418 472 D N 0.715 121.114 120.400 -0.000 0.000 2.269 472 D HA -0.096 4.545 4.640 0.000 0.000 0.208 472 D C 1.947 178.229 176.300 -0.030 0.000 0.963 472 D CA 0.920 54.910 54.000 -0.017 0.000 0.864 472 D CB 0.021 40.812 40.800 -0.015 0.000 0.936 472 D HN 0.317 nan 8.370 nan 0.000 0.505 473 K N 0.429 120.812 120.400 -0.029 0.000 2.354 473 K HA 0.020 4.340 4.320 0.000 0.000 0.194 473 K C 0.205 176.760 176.600 -0.075 0.000 1.045 473 K CA -0.236 56.011 56.287 -0.067 0.000 1.026 473 K CB 0.200 32.657 32.500 -0.073 0.000 0.866 473 K HN -0.006 nan 8.250 nan 0.000 0.530 474 D N 1.698 122.072 120.400 -0.043 0.000 2.570 474 D HA -0.014 4.626 4.640 0.000 0.000 0.243 474 D C 0.982 177.257 176.300 -0.043 0.000 1.171 474 D CA 1.429 55.408 54.000 -0.035 0.000 0.879 474 D CB 0.080 40.872 40.800 -0.013 0.000 1.143 474 D HN 0.463 nan 8.370 nan 0.000 0.511 475 G N 3.091 111.860 108.800 -0.052 0.000 2.212 475 G HA2 -0.347 3.613 3.960 0.000 0.000 0.267 475 G HA3 -0.347 3.613 3.960 0.000 0.000 0.267 475 G C 1.050 175.915 174.900 -0.058 0.000 1.002 475 G CA 1.203 46.276 45.100 -0.045 0.000 0.729 475 G HN 0.785 nan 8.290 nan 0.000 0.517 476 S N -0.591 115.057 115.700 -0.086 0.000 2.528 476 S HA 0.074 4.544 4.470 0.000 0.000 0.219 476 S C 1.342 175.883 174.600 -0.098 0.000 0.985 476 S CA 0.979 59.126 58.200 -0.087 0.000 0.914 476 S CB -0.096 63.044 63.200 -0.100 0.000 0.776 476 S HN 0.841 nan 8.310 nan 0.000 0.526 477 N N 1.202 119.825 118.700 -0.128 0.000 2.681 477 N HA -0.156 4.585 4.740 0.000 0.000 0.250 477 N C 0.677 176.137 175.510 -0.084 0.000 1.133 477 N CA 1.147 54.137 53.050 -0.100 0.000 0.732 477 N CB -1.880 36.590 38.487 -0.028 0.000 1.107 477 N HN 0.775 nan 8.380 nan 0.000 0.559 478 S N -1.561 114.007 115.700 -0.221 0.000 2.557 478 S HA 0.528 4.998 4.470 0.000 0.000 0.223 478 S C 0.877 175.147 174.600 -0.550 0.000 0.969 478 S CA 0.565 58.626 58.200 -0.232 0.000 0.927 478 S CB 0.603 63.710 63.200 -0.154 0.000 0.806 478 S HN 1.073 nan 8.310 nan 0.000 0.489 479 G N 0.258 108.402 108.800 -1.094 0.000 2.541 479 G HA2 -0.017 3.943 3.960 0.000 0.000 0.686 479 G HA3 -0.017 3.943 3.960 0.000 0.000 0.686 479 G C -1.075 173.379 174.900 -0.743 0.000 1.286 479 G CA -0.933 43.373 45.100 -1.322 0.000 0.894 479 G HN 0.261 nan 8.290 nan 0.000 0.575 480 Y N 0.153 120.201 120.300 -0.421 0.000 2.316 480 Y HA 0.475 5.025 4.550 0.000 0.000 0.324 480 Y C 0.985 176.773 175.900 -0.186 0.000 1.267 480 Y CA -0.224 57.706 58.100 -0.284 0.000 1.311 480 Y CB 0.999 39.288 38.460 -0.286 0.000 1.267 480 Y HN 0.498 nan 8.280 nan 0.000 0.516 481 D N 2.576 123.010 120.400 0.056 0.000 2.470 481 D HA 0.072 4.712 4.640 0.000 0.000 0.226 481 D C 0.817 177.132 176.300 0.024 0.000 1.196 481 D CA 0.324 54.347 54.000 0.038 0.000 0.979 481 D CB 0.114 40.949 40.800 0.058 0.000 1.059 481 D HN 0.601 nan 8.370 nan 0.000 0.515 482 L N 2.333 123.580 121.223 0.041 0.000 2.042 482 L HA -0.181 4.160 4.340 0.000 0.000 0.210 482 L C 2.127 178.997 176.870 0.000 0.000 1.076 482 L CA 1.110 55.962 54.840 0.020 0.000 0.749 482 L CB -0.317 41.773 42.059 0.052 0.000 0.893 482 L HN 0.374 nan 8.230 nan 0.000 0.432 483 E N 0.117 120.351 120.200 0.057 0.000 2.106 483 E HA -0.227 4.123 4.350 0.000 0.000 0.192 483 E C 2.141 178.649 176.600 -0.154 0.000 0.984 483 E CA 0.910 57.299 56.400 -0.018 0.000 0.806 483 E CB -0.140 29.660 29.700 0.167 0.000 0.750 483 E HN 0.278 nan 8.360 nan 0.000 0.458 484 L N 1.349 122.502 121.223 -0.117 0.000 2.017 484 L HA -0.166 4.174 4.340 0.000 0.000 0.208 484 L C 2.030 178.787 176.870 -0.189 0.000 1.073 484 L CA 1.530 56.177 54.840 -0.321 0.000 0.745 484 L CB -0.322 41.439 42.059 -0.496 0.000 0.894 484 L HN 0.084 nan 8.230 nan 0.000 0.432 485 I N -0.449 120.032 120.570 -0.149 0.000 2.127 485 I HA -0.270 3.900 4.170 0.000 0.000 0.241 485 I C 2.450 178.504 176.117 -0.105 0.000 1.075 485 I CA 1.349 62.569 61.300 -0.133 0.000 1.334 485 I CB -0.527 37.386 38.000 -0.144 0.000 1.040 485 I HN 0.307 nan 8.210 nan 0.000 0.405 486 E N -0.129 120.011 120.200 -0.100 0.000 2.153 486 E HA -0.268 4.082 4.350 0.000 0.000 0.194 486 E C 2.004 178.564 176.600 -0.067 0.000 0.988 486 E CA 1.279 57.629 56.400 -0.082 0.000 0.811 486 E CB -0.442 29.204 29.700 -0.090 0.000 0.746 486 E HN 0.569 nan 8.360 nan 0.000 0.466 487 H N 0.459 119.386 119.070 -0.239 0.000 2.357 487 H HA -0.034 4.522 4.556 0.000 0.000 0.301 487 H C 1.902 177.263 175.328 0.056 0.000 1.082 487 H CA 1.517 57.466 56.048 -0.166 0.000 1.342 487 H CB -0.005 29.556 29.762 -0.334 0.000 1.389 487 H HN -0.081 nan 8.280 nan 0.000 0.511 488 V N 0.710 120.546 119.914 -0.129 0.000 2.488 488 V HA -0.122 3.998 4.120 0.000 0.000 0.246 488 V C 2.277 178.260 176.094 -0.184 0.000 1.046 488 V CA 1.455 63.637 62.300 -0.198 0.000 1.053 488 V CB -0.299 31.440 31.823 -0.140 0.000 0.679 488 V HN 0.296 nan 8.190 nan 0.000 0.458 489 K N 0.120 120.451 120.400 -0.115 0.000 2.283 489 K HA -0.123 4.197 4.320 0.000 0.000 0.202 489 K C 1.638 178.192 176.600 -0.077 0.000 1.048 489 K CA 0.987 57.222 56.287 -0.086 0.000 0.948 489 K CB -0.351 32.121 32.500 -0.047 0.000 0.742 489 K HN 0.469 nan 8.250 nan 0.000 0.458 490 D N 0.077 120.449 120.400 -0.046 0.000 2.249 490 D HA 0.001 4.641 4.640 0.000 0.000 0.205 490 D C 1.620 177.849 176.300 -0.118 0.000 0.962 490 D CA 0.629 54.653 54.000 0.040 0.000 0.860 490 D CB 0.348 41.292 40.800 0.239 0.000 0.955 490 D HN 0.100 nan 8.370 nan 0.000 0.505 491 A N 0.621 123.178 122.820 -0.439 0.000 1.903 491 A HA 0.107 4.427 4.320 0.000 0.000 0.213 491 A C 1.248 178.482 177.584 -0.584 0.000 1.185 491 A CA 0.777 52.206 52.037 -1.013 0.000 0.628 491 A CB -0.029 18.195 19.000 -1.293 0.000 0.830 491 A HN 0.126 nan 8.150 nan 0.000 0.446 492 V N -4.526 115.172 119.914 -0.361 0.000 3.113 492 V HA 0.586 4.706 4.120 0.000 0.000 0.316 492 V C -0.119 175.871 176.094 -0.172 0.000 1.125 492 V CA -0.952 61.197 62.300 -0.252 0.000 1.026 492 V CB 1.712 33.401 31.823 -0.224 0.000 1.080 492 V HN 0.154 nan 8.190 nan 0.000 0.444 493 K N 1.457 121.768 120.400 -0.148 0.000 2.514 493 K HA 0.475 4.795 4.320 0.000 0.000 0.207 493 K C -0.132 176.394 176.600 -0.124 0.000 1.035 493 K CA -0.050 56.160 56.287 -0.128 0.000 1.113 493 K CB 0.357 32.784 32.500 -0.121 0.000 0.846 493 K HN 0.806 nan 8.250 nan 0.000 0.491 494 I N -2.199 118.302 120.570 -0.116 0.000 2.648 494 I HA 0.519 4.689 4.170 0.000 0.000 0.304 494 I C -2.760 173.310 176.117 -0.079 0.000 1.009 494 I CA -3.328 57.914 61.300 -0.098 0.000 1.114 494 I CB 1.149 39.095 38.000 -0.090 0.000 1.293 494 I HN -0.257 nan 8.210 nan 0.000 0.449 495 P HA 0.074 nan 4.420 nan 0.000 0.264 495 P C -0.794 176.490 177.300 -0.026 0.000 1.183 495 P CA 0.025 63.111 63.100 -0.025 0.000 0.763 495 P CB 0.642 32.339 31.700 -0.005 0.000 0.807 496 V N 5.487 125.389 119.914 -0.021 0.000 2.448 496 V HA 0.352 4.472 4.120 0.000 0.000 0.295 496 V C 0.347 176.417 176.094 -0.040 0.000 1.025 496 V CA -0.534 61.740 62.300 -0.044 0.000 0.859 496 V CB 1.445 33.226 31.823 -0.069 0.000 0.988 496 V HN 0.375 nan 8.190 nan 0.000 0.431 497 I N 4.011 124.551 120.570 -0.049 0.000 2.331 497 I HA 0.541 4.711 4.170 0.000 0.000 0.292 497 I C 0.763 176.783 176.117 -0.161 0.000 0.998 497 I CA -0.337 60.925 61.300 -0.065 0.000 1.267 497 I CB 1.513 39.503 38.000 -0.016 0.000 1.386 497 I HN 0.685 nan 8.210 nan 0.000 0.476 498 A N 5.278 127.912 122.820 -0.310 0.000 2.404 498 A HA 0.516 4.836 4.320 0.000 0.000 0.273 498 A C 0.051 177.310 177.584 -0.543 0.000 1.144 498 A CA 0.016 51.711 52.037 -0.570 0.000 0.806 498 A CB 0.474 18.860 19.000 -1.024 0.000 1.080 498 A HN 0.669 nan 8.150 nan 0.000 0.509 499 S N 1.887 117.444 115.700 -0.238 0.000 2.595 499 S HA 0.766 5.237 4.470 0.000 0.000 0.281 499 S C -0.598 174.093 174.600 0.151 0.000 1.117 499 S CA 0.262 58.479 58.200 0.030 0.000 0.873 499 S CB 0.913 64.116 63.200 0.005 0.000 1.108 499 S HN 1.890 nan 8.310 nan 0.000 0.477 500 S N 0.865 116.647 115.700 0.136 0.000 2.913 500 S HA 0.212 4.682 4.470 0.000 0.000 0.856 500 S C 0.655 175.196 174.600 -0.098 0.000 0.913 500 S CA 0.606 58.818 58.200 0.020 0.000 1.428 500 S CB -1.441 61.768 63.200 0.015 0.000 1.022 500 S HN 2.414 nan 8.310 nan 0.000 0.260 501 G N 0.604 109.258 108.800 -0.242 0.000 2.218 501 G HA2 0.177 4.137 3.960 0.000 0.000 0.216 501 G HA3 0.177 4.137 3.960 0.000 0.000 0.216 501 G C 0.296 174.797 174.900 -0.665 0.000 0.994 501 G CA 0.392 45.241 45.100 -0.417 0.000 0.637 501 G HN 2.248 nan 8.290 nan 0.000 0.505 502 A N 0.599 122.946 122.820 -0.788 0.000 2.524 502 A HA 0.616 4.936 4.320 0.000 0.000 0.250 502 A C 1.473 178.885 177.584 -0.286 0.000 1.078 502 A CA 1.612 53.198 52.037 -0.752 0.000 0.761 502 A CB 0.495 19.047 19.000 -0.746 0.000 1.012 502 A HN 1.675 nan 8.150 nan 0.000 0.500 503 G N 1.156 109.978 108.800 0.036 0.000 2.597 503 G HA2 0.423 4.383 3.960 0.000 0.000 0.196 503 G HA3 0.423 4.383 3.960 0.000 0.000 0.196 503 G C 0.226 175.039 174.900 -0.145 0.000 1.176 503 G CA 0.780 45.887 45.100 0.011 0.000 0.747 503 G HN 1.712 nan 8.290 nan 0.000 0.821 504 V N -3.278 116.409 119.914 -0.378 0.000 3.078 504 V HA 0.616 4.736 4.120 0.000 0.000 0.311 504 V C -2.289 173.423 176.094 -0.637 0.000 1.138 504 V CA -2.102 59.719 62.300 -0.799 0.000 1.007 504 V CB 1.821 33.201 31.823 -0.738 0.000 1.045 504 V HN -0.062 nan 8.190 nan 0.000 0.432 505 P HA -0.143 nan 4.420 nan 0.000 0.217 505 P C 1.232 178.262 177.300 -0.451 0.000 1.148 505 P CA 1.755 64.529 63.100 -0.544 0.000 0.834 505 P CB 0.240 31.502 31.700 -0.731 0.000 0.783 506 E N -1.920 117.840 120.200 -0.733 0.000 2.204 506 E HA -0.200 4.150 4.350 0.000 0.000 0.195 506 E C 1.806 178.332 176.600 -0.123 0.000 0.990 506 E CA 1.102 57.223 56.400 -0.465 0.000 0.821 506 E CB -0.834 28.596 29.700 -0.449 0.000 0.750 506 E HN 0.549 nan 8.360 nan 0.000 0.477 507 H N -1.471 117.514 119.070 -0.141 0.000 2.389 507 H HA -0.073 4.483 4.556 0.000 0.000 0.299 507 H C 1.409 176.671 175.328 -0.110 0.000 1.081 507 H CA 0.906 56.833 56.048 -0.202 0.000 1.345 507 H CB -0.040 29.443 29.762 -0.465 0.000 1.393 507 H HN 0.144 nan 8.280 nan 0.000 0.520 508 F N 0.935 120.928 119.950 0.072 0.000 2.146 508 F HA -0.148 4.379 4.527 0.000 0.000 0.298 508 F C 2.622 178.481 175.800 0.099 0.000 1.096 508 F CA 1.322 59.366 58.000 0.073 0.000 1.275 508 F CB -0.306 38.793 39.000 0.165 0.000 1.008 508 F HN 0.208 nan 8.300 nan 0.000 0.480 509 E N 0.533 120.962 120.200 0.381 0.000 2.077 509 E HA -0.282 4.068 4.350 0.000 0.000 0.193 509 E C 2.204 178.937 176.600 0.221 0.000 0.989 509 E CA 1.452 58.057 56.400 0.342 0.000 0.800 509 E CB -0.191 29.698 29.700 0.313 0.000 0.746 509 E HN 0.555 nan 8.360 nan 0.000 0.452 510 E N -0.077 120.211 120.200 0.146 0.000 2.058 510 E HA -0.229 4.121 4.350 0.000 0.000 0.194 510 E C 1.958 178.593 176.600 0.057 0.000 0.997 510 E CA 1.177 57.637 56.400 0.100 0.000 0.801 510 E CB -0.184 29.571 29.700 0.092 0.000 0.746 510 E HN 0.339 nan 8.360 nan 0.000 0.450 511 A N 0.246 123.057 122.820 -0.016 0.000 1.902 511 A HA -0.152 4.168 4.320 0.000 0.000 0.217 511 A C 1.857 179.360 177.584 -0.135 0.000 1.181 511 A CA 1.288 53.224 52.037 -0.168 0.000 0.623 511 A CB -0.775 17.962 19.000 -0.438 0.000 0.818 511 A HN 0.347 nan 8.150 nan 0.000 0.443 512 F N -0.409 119.576 119.950 0.057 0.000 2.407 512 F HA 0.076 4.603 4.527 0.000 0.000 0.299 512 F C 1.900 177.719 175.800 0.031 0.000 1.097 512 F CA 0.649 58.676 58.000 0.046 0.000 1.422 512 F CB -0.255 38.792 39.000 0.077 0.000 1.067 512 F HN 0.097 nan 8.300 nan 0.000 0.539 513 L N -1.123 120.223 121.223 0.205 0.000 2.388 513 L HA 0.042 4.382 4.340 0.000 0.000 0.209 513 L C 1.918 178.837 176.870 0.081 0.000 1.061 513 L CA 0.601 55.518 54.840 0.128 0.000 0.834 513 L CB -0.238 41.894 42.059 0.122 0.000 1.029 513 L HN -0.094 nan 8.230 nan 0.000 0.473 514 K N -0.432 120.009 120.400 0.069 0.000 2.379 514 K HA 0.063 4.383 4.320 0.000 0.000 0.194 514 K C 0.701 177.316 176.600 0.026 0.000 1.031 514 K CA 0.469 56.783 56.287 0.045 0.000 1.037 514 K CB 0.470 32.998 32.500 0.047 0.000 0.824 514 K HN 0.348 nan 8.250 nan 0.000 0.516 515 T N -2.730 111.836 114.554 0.020 0.000 2.864 515 T HA 0.349 4.699 4.350 0.000 0.000 0.289 515 T C 0.170 174.884 174.700 0.023 0.000 1.082 515 T CA -0.964 61.136 62.100 -0.001 0.000 1.009 515 T CB 1.919 70.759 68.868 -0.048 0.000 1.234 515 T HN -0.096 nan 8.240 nan 0.000 0.526 516 R N 0.300 120.810 120.500 0.015 0.000 2.426 516 R HA 0.498 4.838 4.340 0.000 0.000 0.263 516 R C 0.871 177.209 176.300 0.063 0.000 0.961 516 R CA -0.213 55.917 56.100 0.050 0.000 1.086 516 R CB -0.109 30.219 30.300 0.046 0.000 1.186 516 R HN 0.798 nan 8.270 nan 0.000 0.537 517 A N 1.274 124.105 122.820 0.018 0.000 2.584 517 A HA -0.094 4.226 4.320 0.000 0.000 0.239 517 A C 0.406 178.073 177.584 0.139 0.000 1.043 517 A CA 0.326 52.355 52.037 -0.014 0.000 0.756 517 A CB 0.179 19.062 19.000 -0.195 0.000 0.963 517 A HN 0.278 nan 8.150 nan 0.000 0.511 518 D N 0.752 121.226 120.400 0.124 0.000 2.339 518 D HA 0.376 5.016 4.640 0.000 0.000 0.217 518 D C 0.514 176.973 176.300 0.265 0.000 1.050 518 D CA 1.486 55.606 54.000 0.199 0.000 0.856 518 D CB 0.286 41.165 40.800 0.132 0.000 0.922 518 D HN 0.809 nan 8.370 nan 0.000 0.518 519 A N -0.502 122.471 122.820 0.256 0.000 2.522 519 A HA 0.477 4.797 4.320 0.000 0.000 0.291 519 A C -1.702 175.923 177.584 0.068 0.000 1.039 519 A CA -0.642 51.581 52.037 0.310 0.000 0.643 519 A CB 0.985 20.117 19.000 0.221 0.000 1.310 519 A HN 0.152 nan 8.150 nan 0.000 0.436 520 C N 0.607 120.001 119.300 0.157 0.000 2.482 520 C HA 0.770 5.230 4.460 0.000 0.000 0.317 520 C C -0.279 174.851 174.990 0.233 0.000 1.197 520 C CA -0.426 58.574 59.018 -0.030 0.000 1.432 520 C CB 0.697 28.401 27.740 -0.060 0.000 2.062 520 C HN 0.915 nan 8.230 nan 0.000 0.471 521 L N 3.097 124.405 121.223 0.142 0.000 2.334 521 L HA 0.964 5.304 4.340 0.000 0.000 0.273 521 L C -0.022 177.018 176.870 0.282 0.000 1.013 521 L CA 0.163 55.142 54.840 0.232 0.000 0.816 521 L CB 1.760 43.890 42.059 0.119 0.000 1.278 521 L HN 0.831 nan 8.230 nan 0.000 0.431 522 G N 1.751 110.764 108.800 0.353 0.000 2.682 522 G HA2 0.647 4.607 3.960 0.000 0.000 0.300 522 G HA3 0.647 4.607 3.960 0.000 0.000 0.300 522 G C -0.716 174.299 174.900 0.192 0.000 1.391 522 G CA 0.166 45.379 45.100 0.188 0.000 0.990 522 G HN 0.943 nan 8.290 nan 0.000 0.501 523 A N 1.418 124.276 122.820 0.064 0.000 2.083 523 A HA 0.654 4.974 4.320 0.000 0.000 0.210 523 A C 2.361 180.029 177.584 0.139 0.000 2.137 523 A CA 1.515 53.628 52.037 0.127 0.000 1.008 523 A CB -0.830 18.228 19.000 0.096 0.000 1.306 523 A HN 1.507 nan 8.150 nan 0.000 0.632 524 G N 1.283 110.134 108.800 0.085 0.000 2.574 524 G HA2 -0.390 3.570 3.960 0.000 0.000 0.220 524 G HA3 -0.390 3.570 3.960 0.000 0.000 0.220 524 G C 1.729 176.662 174.900 0.054 0.000 1.173 524 G CA 2.246 47.405 45.100 0.098 0.000 0.772 524 G HN 0.774 nan 8.290 nan 0.000 0.585 525 M N -1.465 118.085 119.600 -0.083 0.000 2.202 525 M HA 0.117 4.598 4.480 0.000 0.000 0.262 525 M C 2.158 178.450 176.300 -0.013 0.000 1.063 525 M CA 1.638 56.877 55.300 -0.102 0.000 1.097 525 M CB -0.509 31.950 32.600 -0.234 0.000 1.382 525 M HN 0.087 nan 8.290 nan 0.000 0.413 526 F N 0.095 120.132 119.950 0.144 0.000 2.270 526 F HA 0.052 4.580 4.527 0.000 0.000 0.295 526 F C 2.665 178.668 175.800 0.339 0.000 1.087 526 F CA 1.230 59.310 58.000 0.134 0.000 1.365 526 F CB -1.369 37.520 39.000 -0.185 0.000 1.056 526 F HN 0.382 nan 8.300 nan 0.000 0.506 527 H N 0.607 119.917 119.070 0.399 0.000 2.357 527 H HA -0.056 4.500 4.556 0.000 0.000 0.301 527 H C 2.137 177.579 175.328 0.190 0.000 1.082 527 H CA 1.331 57.571 56.048 0.321 0.000 1.342 527 H CB 0.157 30.059 29.762 0.233 0.000 1.389 527 H HN 0.126 nan 8.280 nan 0.000 0.511 528 R N -0.287 120.227 120.500 0.023 0.000 2.189 528 R HA 0.001 4.341 4.340 0.000 0.000 0.218 528 R C 1.109 177.407 176.300 -0.003 0.000 1.074 528 R CA 0.646 56.675 56.100 -0.117 0.000 0.991 528 R CB 0.317 30.560 30.300 -0.095 0.000 0.883 528 R HN 0.563 nan 8.270 nan 0.000 0.457 529 G N 1.515 110.378 108.800 0.106 0.000 2.171 529 G HA2 -0.253 3.708 3.960 0.000 0.000 0.238 529 G HA3 -0.253 3.708 3.960 0.000 0.000 0.238 529 G C 0.243 175.150 174.900 0.011 0.000 1.039 529 G CA 0.311 45.470 45.100 0.099 0.000 0.759 529 G HN 0.454 nan 8.290 nan 0.000 0.501 530 E N -1.396 118.808 120.200 0.007 0.000 2.318 530 E HA 0.388 4.738 4.350 0.000 0.000 0.193 530 E C 0.299 176.587 176.600 -0.520 0.000 0.998 530 E CA 0.563 56.841 56.400 -0.204 0.000 0.859 530 E CB 0.408 30.067 29.700 -0.069 0.000 0.812 530 E HN 0.558 nan 8.360 nan 0.000 0.492 531 F N -0.417 119.568 119.950 0.058 0.000 2.693 531 F HA 0.209 4.736 4.527 0.000 0.000 0.309 531 F C 0.026 175.957 175.800 0.218 0.000 1.129 531 F CA -1.229 56.822 58.000 0.085 0.000 0.948 531 F CB 1.640 40.662 39.000 0.037 0.000 1.315 531 F HN -0.269 nan 8.300 nan 0.000 0.447 532 T N -2.200 112.573 114.554 0.364 0.000 2.937 532 T HA 0.510 4.861 4.350 0.000 0.000 0.283 532 T C 0.644 175.428 174.700 0.139 0.000 1.012 532 T CA -0.675 61.562 62.100 0.228 0.000 0.997 532 T CB 1.444 70.368 68.868 0.094 0.000 1.136 532 T HN 0.311 nan 8.240 nan 0.000 0.551 533 V N 1.455 121.229 119.914 -0.234 0.000 2.427 533 V HA -0.141 3.979 4.120 0.000 0.000 0.248 533 V C 2.644 178.638 176.094 -0.167 0.000 1.051 533 V CA 1.615 63.681 62.300 -0.390 0.000 1.048 533 V CB -1.000 30.484 31.823 -0.566 0.000 0.666 533 V HN 0.778 nan 8.190 nan 0.000 0.456 534 N N 0.271 118.906 118.700 -0.108 0.000 2.223 534 N HA -0.154 4.587 4.740 0.000 0.000 0.185 534 N C 1.549 177.054 175.510 -0.009 0.000 1.016 534 N CA 1.412 54.422 53.050 -0.067 0.000 0.863 534 N CB -0.337 38.116 38.487 -0.056 0.000 0.983 534 N HN 0.497 nan 8.380 nan 0.000 0.429 535 D N 0.418 120.848 120.400 0.050 0.000 2.117 535 D HA -0.078 4.562 4.640 0.000 0.000 0.197 535 D C 2.041 178.379 176.300 0.063 0.000 0.987 535 D CA 0.633 54.702 54.000 0.116 0.000 0.829 535 D CB -0.100 40.859 40.800 0.265 0.000 0.961 535 D HN 0.027 nan 8.370 nan 0.000 0.460 536 V N 1.299 121.194 119.914 -0.033 0.000 2.358 536 V HA -0.218 3.902 4.120 0.000 0.000 0.246 536 V C 2.381 178.437 176.094 -0.062 0.000 1.047 536 V CA 1.497 63.689 62.300 -0.180 0.000 1.035 536 V CB -0.319 31.203 31.823 -0.501 0.000 0.658 536 V HN 0.154 nan 8.190 nan 0.000 0.452 537 K N -0.454 119.904 120.400 -0.069 0.000 2.057 537 K HA -0.162 4.158 4.320 0.000 0.000 0.207 537 K C 2.234 178.835 176.600 0.002 0.000 1.049 537 K CA 1.250 57.509 56.287 -0.046 0.000 0.931 537 K CB -0.195 32.251 32.500 -0.091 0.000 0.714 537 K HN 0.391 nan 8.250 nan 0.000 0.440 538 E N 0.275 120.491 120.200 0.026 0.000 2.085 538 E HA -0.218 4.132 4.350 0.000 0.000 0.194 538 E C 1.874 178.528 176.600 0.089 0.000 0.994 538 E CA 1.245 57.673 56.400 0.046 0.000 0.801 538 E CB -0.336 29.401 29.700 0.062 0.000 0.743 538 E HN 0.377 nan 8.360 nan 0.000 0.453 539 Y N 1.278 121.587 120.300 0.016 0.000 2.163 539 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 539 Y C 2.275 178.227 175.900 0.087 0.000 1.136 539 Y CA 1.397 59.524 58.100 0.046 0.000 1.147 539 Y CB -0.324 38.107 38.460 -0.048 0.000 0.987 539 Y HN -0.069 nan 8.280 nan 0.000 0.509 540 L N -0.742 120.546 121.223 0.108 0.000 2.046 540 L HA -0.218 4.122 4.340 0.000 0.000 0.208 540 L C 2.382 179.251 176.870 -0.002 0.000 1.077 540 L CA 1.057 55.931 54.840 0.056 0.000 0.747 540 L CB -0.720 41.401 42.059 0.103 0.000 0.896 540 L HN 0.307 nan 8.230 nan 0.000 0.432 541 L N 0.158 121.373 121.223 -0.013 0.000 2.083 541 L HA -0.210 4.131 4.340 0.000 0.000 0.209 541 L C 2.409 179.251 176.870 -0.047 0.000 1.083 541 L CA 1.728 56.545 54.840 -0.037 0.000 0.752 541 L CB -0.495 41.541 42.059 -0.038 0.000 0.899 541 L HN 0.240 nan 8.230 nan 0.000 0.433 542 E N -1.737 118.437 120.200 -0.043 0.000 2.268 542 E HA -0.204 4.146 4.350 0.000 0.000 0.195 542 E C 0.714 177.181 176.600 -0.221 0.000 0.995 542 E CA 0.683 57.024 56.400 -0.098 0.000 0.836 542 E CB 0.061 29.720 29.700 -0.068 0.000 0.763 542 E HN 0.639 nan 8.360 nan 0.000 0.491 543 H N -1.704 117.215 119.070 -0.252 0.000 2.505 543 H HA 0.293 4.849 4.556 0.000 0.000 0.289 543 H C 0.747 176.004 175.328 -0.117 0.000 1.052 543 H CA 0.525 56.446 56.048 -0.211 0.000 1.156 543 H CB 1.082 30.669 29.762 -0.292 0.000 1.507 543 H HN 0.272 nan 8.280 nan 0.000 0.548 544 G N 0.309 109.084 108.800 -0.041 0.000 2.159 544 G HA2 -0.276 3.684 3.960 0.000 0.000 0.256 544 G HA3 -0.276 3.684 3.960 0.000 0.000 0.256 544 G C 0.097 174.972 174.900 -0.040 0.000 0.977 544 G CA 0.086 45.160 45.100 -0.043 0.000 0.652 544 G HN 0.309 nan 8.290 nan 0.000 0.531 545 L N 0.363 121.565 121.223 -0.035 0.000 2.399 545 L HA 0.507 4.847 4.340 0.000 0.000 0.266 545 L C 0.466 177.278 176.870 -0.097 0.000 1.114 545 L CA -0.930 53.868 54.840 -0.070 0.000 0.804 545 L CB 0.830 42.850 42.059 -0.065 0.000 1.146 545 L HN -0.127 nan 8.230 nan 0.000 0.451 546 K N 2.736 123.058 120.400 -0.131 0.000 2.227 546 K HA 0.529 4.849 4.320 0.000 0.000 0.280 546 K C -0.627 175.883 176.600 -0.151 0.000 1.041 546 K CA -0.326 55.883 56.287 -0.131 0.000 0.905 546 K CB 1.782 34.200 32.500 -0.135 0.000 1.068 546 K HN 0.454 nan 8.250 nan 0.000 0.470 547 V N -0.428 119.404 119.914 -0.136 0.000 3.049 547 V HA 0.520 4.640 4.120 0.000 0.000 0.309 547 V C -0.192 175.795 176.094 -0.179 0.000 1.148 547 V CA -1.442 60.765 62.300 -0.155 0.000 0.990 547 V CB 2.068 33.811 31.823 -0.133 0.000 1.039 547 V HN 0.776 nan 8.190 nan 0.000 0.430 548 R N 3.261 123.605 120.500 -0.259 0.000 2.401 548 R HA 0.530 4.870 4.340 0.000 0.000 0.299 548 R C -1.005 175.127 176.300 -0.280 0.000 1.064 548 R CA -0.233 55.658 56.100 -0.348 0.000 1.000 548 R CB 0.611 30.490 30.300 -0.702 0.000 0.973 548 R HN 0.785 nan 8.270 nan 0.000 0.438 549 M N 4.395 123.863 119.600 -0.219 0.000 2.031 549 M HA 0.236 4.716 4.480 0.000 0.000 0.273 549 M C -1.422 174.795 176.300 -0.138 0.000 0.904 549 M CA -0.822 54.381 55.300 -0.162 0.000 0.963 549 M CB 0.924 33.457 32.600 -0.111 0.000 1.707 549 M HN 0.633 nan 8.290 nan 0.000 0.427 550 D N 0.000 120.307 120.400 -0.155 0.000 6.856 550 D HA 0.000 4.640 4.640 0.000 0.000 0.175 550 D CA 0.000 53.937 54.000 -0.105 0.000 0.868 550 D CB 0.000 40.728 40.800 -0.119 0.000 0.688 550 D HN 0.000 nan 8.370 nan 0.000 0.683