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 2eik_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.821 175.800 0.034 0.000 0.967 2 F CA 0.000 58.052 58.000 0.086 0.000 1.383 2 F CB 0.000 39.055 39.000 0.091 0.000 1.145 3 I N 1.420 122.011 120.570 0.036 0.000 2.226 3 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 3 I C 1.678 177.434 176.117 -0.602 0.000 1.100 3 I CA 1.819 62.963 61.300 -0.259 0.000 1.374 3 I CB -0.503 37.319 38.000 -0.296 0.000 1.057 3 I HN 0.277 nan 8.210 nan 0.000 0.413 4 N N 0.672 119.095 118.700 -0.461 0.000 2.104 4 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 4 N C 1.898 177.240 175.510 -0.281 0.000 1.024 4 N CA 1.289 54.132 53.050 -0.344 0.000 0.853 4 N CB -0.274 38.126 38.487 -0.146 0.000 1.008 4 N HN 0.242 nan 8.380 nan 0.000 0.424 5 R N -1.042 119.219 120.500 -0.399 0.000 2.062 5 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 5 R C 1.176 177.004 176.300 -0.786 0.000 1.128 5 R CA 1.281 56.998 56.100 -0.638 0.000 0.960 5 R CB -0.153 29.615 30.300 -0.886 0.000 0.855 5 R HN 0.307 nan 8.270 nan 0.000 0.432 6 W N -1.023 120.042 121.300 -0.392 0.000 3.114 6 W HA 0.191 4.851 4.660 -0.000 0.000 0.279 6 W C 0.998 177.506 176.519 -0.018 0.000 1.277 6 W CA -0.590 56.566 57.345 -0.314 0.000 1.630 6 W CB 0.486 29.552 29.460 -0.657 0.000 1.087 6 W HN 0.093 nan 8.180 nan 0.000 0.637 7 L N -1.811 119.441 121.223 0.049 0.000 2.609 7 L HA 0.224 4.564 4.340 -0.000 0.000 0.230 7 L C 0.738 177.817 176.870 0.347 0.000 1.064 7 L CA 0.835 55.725 54.840 0.082 0.000 0.873 7 L CB -0.377 41.521 42.059 -0.268 0.000 1.139 7 L HN -0.173 nan 8.230 nan 0.000 0.490 8 F N -1.060 118.888 119.950 -0.004 0.000 2.772 8 F HA 0.403 4.930 4.527 -0.000 0.000 0.302 8 F C 1.224 177.017 175.800 -0.011 0.000 1.136 8 F CA -1.142 56.849 58.000 -0.015 0.000 1.322 8 F CB -0.971 38.000 39.000 -0.047 0.000 0.967 8 F HN -0.197 nan 8.300 nan 0.000 0.513 9 S N 0.955 116.756 115.700 0.167 0.000 2.563 9 S HA 0.206 4.676 4.470 -0.000 0.000 0.284 9 S C 1.097 175.718 174.600 0.035 0.000 1.331 9 S CA 0.709 58.923 58.200 0.023 0.000 1.047 9 S CB 0.380 63.527 63.200 -0.089 0.000 0.859 9 S HN 0.487 nan 8.310 nan 0.000 0.514 10 T N 1.034 115.576 114.554 -0.020 0.000 3.460 10 T HA 0.301 4.651 4.350 -0.000 0.000 0.304 10 T C -0.256 174.374 174.700 -0.117 0.000 0.991 10 T CA -0.685 61.400 62.100 -0.025 0.000 0.975 10 T CB -0.513 68.367 68.868 0.019 0.000 1.196 10 T HN 0.546 nan 8.240 nan 0.000 0.490 11 N N 1.352 119.903 118.700 -0.249 0.000 2.392 11 N HA 0.169 4.909 4.740 -0.000 0.000 0.283 11 N C 1.026 176.273 175.510 -0.439 0.000 1.003 11 N CA -0.279 52.482 53.050 -0.483 0.000 0.892 11 N CB 1.523 39.427 38.487 -0.972 0.000 1.193 11 N HN 0.559 nan 8.380 nan 0.000 0.487 12 H N 3.270 122.074 119.070 -0.443 0.000 2.421 12 H HA -0.008 4.548 4.556 -0.000 0.000 0.298 12 H C 1.008 175.968 175.328 -0.614 0.000 1.087 12 H CA 1.435 57.235 56.048 -0.413 0.000 1.330 12 H CB 0.321 29.885 29.762 -0.330 0.000 1.388 12 H HN 0.505 nan 8.280 nan 0.000 0.526 13 K N 0.257 119.750 120.400 -1.512 0.000 2.031 13 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 13 K C 1.614 177.494 176.600 -1.200 0.000 1.049 13 K CA 1.295 56.438 56.287 -1.907 0.000 0.939 13 K CB 0.088 31.409 32.500 -1.965 0.000 0.717 13 K HN 0.260 nan 8.250 nan 0.000 0.438 14 D N 1.175 121.117 120.400 -0.762 0.000 2.117 14 D HA -0.101 4.539 4.640 -0.000 0.000 0.197 14 D C 1.862 178.017 176.300 -0.240 0.000 0.987 14 D CA 0.974 54.740 54.000 -0.390 0.000 0.829 14 D CB -0.145 40.294 40.800 -0.602 0.000 0.961 14 D HN 0.131 nan 8.370 nan 0.000 0.460 15 I N 0.665 121.038 120.570 -0.328 0.000 2.252 15 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 15 I C 2.491 178.543 176.117 -0.109 0.000 1.102 15 I CA 1.217 62.370 61.300 -0.245 0.000 1.385 15 I CB -0.391 37.532 38.000 -0.127 0.000 1.064 15 I HN 0.025 nan 8.210 nan 0.000 0.414 16 G N 0.084 108.776 108.800 -0.180 0.000 2.442 16 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 16 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 16 G C 1.659 176.617 174.900 0.097 0.000 1.141 16 G CA 1.468 46.551 45.100 -0.028 0.000 0.763 16 G HN 0.280 nan 8.290 nan 0.000 0.554 17 T N 1.242 115.817 114.554 0.036 0.000 2.777 17 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 17 T C 2.430 177.143 174.700 0.021 0.000 1.040 17 T CA 0.812 63.007 62.100 0.158 0.000 1.141 17 T CB -0.182 68.837 68.868 0.252 0.000 0.868 17 T HN 0.158 nan 8.240 nan 0.000 0.444 18 L N -0.541 120.573 121.223 -0.182 0.000 2.046 18 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 18 L C 2.361 179.058 176.870 -0.287 0.000 1.077 18 L CA 1.490 56.009 54.840 -0.535 0.000 0.747 18 L CB -0.577 40.622 42.059 -1.433 0.000 0.896 18 L HN 0.264 nan 8.230 nan 0.000 0.432 19 Y N -0.089 120.117 120.300 -0.156 0.000 2.181 19 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 19 Y C 2.406 178.448 175.900 0.237 0.000 1.146 19 Y CA 1.323 59.541 58.100 0.197 0.000 1.164 19 Y CB -0.329 38.225 38.460 0.156 0.000 0.982 19 Y HN 0.041 nan 8.280 nan 0.000 0.515 20 L N -0.974 120.422 121.223 0.289 0.000 2.083 20 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 20 L C 2.219 179.238 176.870 0.249 0.000 1.083 20 L CA 1.075 56.045 54.840 0.216 0.000 0.752 20 L CB -0.635 41.510 42.059 0.144 0.000 0.899 20 L HN 0.255 nan 8.230 nan 0.000 0.433 21 L N -1.439 119.923 121.223 0.230 0.000 2.027 21 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 21 L C 2.549 179.601 176.870 0.303 0.000 1.074 21 L CA 1.300 56.269 54.840 0.215 0.000 0.745 21 L CB -0.533 41.593 42.059 0.113 0.000 0.898 21 L HN 0.161 nan 8.230 nan 0.000 0.433 22 F N 0.887 120.978 119.950 0.235 0.000 2.069 22 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 22 F C 2.253 178.283 175.800 0.383 0.000 1.113 22 F CA 1.754 59.941 58.000 0.311 0.000 1.214 22 F CB -0.650 38.556 39.000 0.343 0.000 0.978 22 F HN -0.009 nan 8.300 nan 0.000 0.474 23 G N -0.407 108.687 108.800 0.490 0.000 2.418 23 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 23 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 23 G C 1.792 176.809 174.900 0.195 0.000 1.158 23 G CA 0.841 46.147 45.100 0.343 0.000 0.771 23 G HN 0.633 nan 8.290 nan 0.000 0.545 24 A N -0.192 122.737 122.820 0.182 0.000 1.902 24 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 24 A C 2.155 179.808 177.584 0.115 0.000 1.181 24 A CA 1.564 53.664 52.037 0.104 0.000 0.623 24 A CB -0.703 18.350 19.000 0.088 0.000 0.818 24 A HN 0.542 nan 8.150 nan 0.000 0.443 25 W N 0.544 121.840 121.300 -0.007 0.000 2.358 25 W HA -0.092 4.568 4.660 -0.000 0.000 0.303 25 W C 2.503 179.015 176.519 -0.012 0.000 1.208 25 W CA 2.142 59.467 57.345 -0.034 0.000 1.274 25 W CB -0.168 29.247 29.460 -0.075 0.000 1.138 25 W HN 0.351 nan 8.180 nan 0.000 0.515 26 A N 0.401 123.322 122.820 0.168 0.000 1.933 26 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 26 A C 2.211 179.820 177.584 0.042 0.000 1.175 26 A CA 1.979 54.117 52.037 0.168 0.000 0.628 26 A CB -1.678 17.389 19.000 0.112 0.000 0.814 26 A HN 0.407 nan 8.150 nan 0.000 0.444 27 G N -0.880 107.934 108.800 0.023 0.000 2.442 27 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 27 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 27 G C 1.476 176.351 174.900 -0.042 0.000 1.141 27 G CA 1.330 46.435 45.100 0.009 0.000 0.763 27 G HN 0.344 nan 8.290 nan 0.000 0.554 28 M N 0.430 119.946 119.600 -0.140 0.000 2.086 28 M HA -0.009 4.471 4.480 -0.000 0.000 0.261 28 M C 2.801 178.977 176.300 -0.208 0.000 1.067 28 M CA 0.739 55.919 55.300 -0.201 0.000 1.116 28 M CB -1.263 31.133 32.600 -0.339 0.000 1.348 28 M HN 0.116 nan 8.290 nan 0.000 0.407 29 V N 0.326 120.065 119.914 -0.291 0.000 2.295 29 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 29 V C 2.642 178.745 176.094 0.014 0.000 1.049 29 V CA 2.126 64.319 62.300 -0.179 0.000 1.024 29 V CB -1.769 29.981 31.823 -0.121 0.000 0.648 29 V HN 0.573 nan 8.190 nan 0.000 0.447 30 G N -0.726 108.114 108.800 0.066 0.000 2.422 30 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 30 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 30 G C 1.681 176.701 174.900 0.201 0.000 1.146 30 G CA 1.512 46.699 45.100 0.144 0.000 0.769 30 G HN 0.483 nan 8.290 nan 0.000 0.547 31 T N 1.525 116.138 114.554 0.097 0.000 2.770 31 T HA 0.087 4.437 4.350 -0.000 0.000 0.263 31 T C 2.849 177.571 174.700 0.037 0.000 1.039 31 T CA 1.336 63.485 62.100 0.081 0.000 1.142 31 T CB -0.342 68.544 68.868 0.030 0.000 0.868 31 T HN 0.352 nan 8.240 nan 0.000 0.435 32 A N 1.305 124.124 122.820 -0.003 0.000 1.908 32 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 32 A C 2.299 179.891 177.584 0.014 0.000 1.181 32 A CA 1.234 53.258 52.037 -0.022 0.000 0.627 32 A CB -0.909 18.061 19.000 -0.049 0.000 0.818 32 A HN 0.465 nan 8.150 nan 0.000 0.445 33 L N 0.262 121.521 121.223 0.060 0.000 2.046 33 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 33 L C 3.081 179.944 176.870 -0.012 0.000 1.077 33 L CA 1.703 56.587 54.840 0.073 0.000 0.747 33 L CB -0.481 41.682 42.059 0.173 0.000 0.896 33 L HN 0.642 nan 8.230 nan 0.000 0.432 34 S N -0.036 115.640 115.700 -0.041 0.000 2.383 34 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 34 S C 1.947 176.502 174.600 -0.076 0.000 1.026 34 S CA 0.890 58.952 58.200 -0.231 0.000 0.981 34 S CB -0.567 62.556 63.200 -0.128 0.000 0.818 34 S HN 0.373 nan 8.310 nan 0.000 0.472 35 L N 0.429 121.642 121.223 -0.016 0.000 2.141 35 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 35 L C 2.602 179.511 176.870 0.065 0.000 1.094 35 L CA 0.817 55.669 54.840 0.020 0.000 0.763 35 L CB -0.503 41.527 42.059 -0.048 0.000 0.908 35 L HN 0.309 nan 8.230 nan 0.000 0.437 36 L N -0.509 120.740 121.223 0.043 0.000 2.093 36 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 36 L C 2.436 179.376 176.870 0.117 0.000 1.085 36 L CA 1.237 56.123 54.840 0.077 0.000 0.755 36 L CB -0.271 41.823 42.059 0.058 0.000 0.904 36 L HN 0.202 nan 8.230 nan 0.000 0.435 37 I N -0.705 119.905 120.570 0.066 0.000 2.142 37 I HA -0.288 3.882 4.170 -0.000 0.000 0.240 37 I C 2.635 178.877 176.117 0.209 0.000 1.078 37 I CA 1.227 62.612 61.300 0.141 0.000 1.343 37 I CB -0.331 37.657 38.000 -0.019 0.000 1.046 37 I HN 0.227 nan 8.210 nan 0.000 0.405 38 R N 0.724 121.289 120.500 0.108 0.000 2.189 38 R HA -0.024 4.316 4.340 -0.000 0.000 0.218 38 R C 2.237 178.605 176.300 0.115 0.000 1.074 38 R CA 1.193 57.349 56.100 0.093 0.000 0.991 38 R CB -0.463 29.861 30.300 0.040 0.000 0.883 38 R HN 0.379 nan 8.270 nan 0.000 0.457 39 A N 1.291 124.199 122.820 0.147 0.000 1.898 39 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 39 A C 2.097 179.742 177.584 0.103 0.000 1.181 39 A CA 1.517 53.636 52.037 0.136 0.000 0.620 39 A CB -0.278 18.818 19.000 0.159 0.000 0.819 39 A HN 0.231 nan 8.150 nan 0.000 0.442 40 E N 0.273 120.553 120.200 0.133 0.000 2.153 40 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 40 E C 1.498 178.128 176.600 0.051 0.000 0.988 40 E CA 1.204 57.659 56.400 0.091 0.000 0.811 40 E CB -0.343 29.451 29.700 0.157 0.000 0.746 40 E HN 0.580 nan 8.360 nan 0.000 0.466 41 L N -0.711 120.580 121.223 0.114 0.000 2.592 41 L HA 0.285 4.625 4.340 -0.000 0.000 0.227 41 L C 2.079 179.055 176.870 0.178 0.000 1.127 41 L CA 0.292 55.240 54.840 0.180 0.000 0.884 41 L CB -0.002 42.163 42.059 0.176 0.000 1.065 41 L HN 0.238 nan 8.230 nan 0.000 0.457 42 G N 0.659 109.512 108.800 0.088 0.000 2.462 42 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 42 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 42 G C 0.580 175.512 174.900 0.054 0.000 1.121 42 G CA 0.466 45.588 45.100 0.037 0.000 0.758 42 G HN 0.541 nan 8.290 nan 0.000 0.559 43 Q N -1.198 118.648 119.800 0.076 0.000 2.482 43 Q HA 0.520 4.860 4.340 -0.000 0.000 0.286 43 Q C -3.321 172.682 176.000 0.005 0.000 1.007 43 Q CA -2.183 53.660 55.803 0.066 0.000 0.801 43 Q CB 1.517 30.257 28.738 0.003 0.000 1.455 43 Q HN -0.122 nan 8.270 nan 0.000 0.398 44 P HA 0.354 nan 4.420 nan 0.000 0.267 44 P C 0.048 177.227 177.300 -0.202 0.000 1.200 44 P CA 1.544 64.493 63.100 -0.252 0.000 0.772 44 P CB 0.541 32.167 31.700 -0.122 0.000 0.855 45 G N 0.312 108.954 108.800 -0.263 0.000 2.466 45 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.316 45 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.316 45 G C -0.926 173.873 174.900 -0.168 0.000 1.270 45 G CA -0.362 44.635 45.100 -0.173 0.000 0.982 45 G HN 0.685 nan 8.290 nan 0.000 0.506 46 T N -0.470 114.016 114.554 -0.114 0.000 2.823 46 T HA 0.591 4.941 4.350 -0.000 0.000 0.279 46 T C 0.991 175.660 174.700 -0.053 0.000 0.998 46 T CA 0.433 62.477 62.100 -0.093 0.000 0.994 46 T CB 1.390 70.211 68.868 -0.077 0.000 0.960 46 T HN 1.401 nan 8.240 nan 0.000 0.448 47 L N 4.847 126.052 121.223 -0.031 0.000 2.347 47 L HA 0.496 4.836 4.340 -0.000 0.000 0.196 47 L C 1.821 178.703 176.870 0.019 0.000 1.072 47 L CA 1.068 55.909 54.840 0.001 0.000 0.817 47 L CB -0.337 41.736 42.059 0.022 0.000 1.029 47 L HN 0.731 nan 8.230 nan 0.000 0.478 48 L N -0.059 121.185 121.223 0.035 0.000 2.313 48 L HA 0.202 4.542 4.340 -0.000 0.000 0.214 48 L C 1.602 178.492 176.870 0.033 0.000 1.119 48 L CA 0.727 55.598 54.840 0.052 0.000 0.809 48 L CB -0.875 41.241 42.059 0.094 0.000 0.933 48 L HN 0.559 nan 8.230 nan 0.000 0.449 49 G N 0.370 109.178 108.800 0.012 0.000 2.187 49 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.261 49 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.261 49 G C -0.011 174.896 174.900 0.012 0.000 1.000 49 G CA 0.661 45.761 45.100 0.001 0.000 0.718 49 G HN 0.434 nan 8.290 nan 0.000 0.519 50 D N -0.519 119.901 120.400 0.033 0.000 2.319 50 D HA 0.347 4.987 4.640 -0.000 0.000 0.237 50 D C 0.485 176.833 176.300 0.081 0.000 1.353 50 D CA -0.545 53.483 54.000 0.047 0.000 0.992 50 D CB 0.567 41.399 40.800 0.054 0.000 1.368 50 D HN -0.070 nan 8.370 nan 0.000 0.564 51 D N 1.521 121.960 120.400 0.064 0.000 2.310 51 D HA -0.144 4.496 4.640 -0.000 0.000 0.212 51 D C 1.654 178.049 176.300 0.159 0.000 0.965 51 D CA 0.770 54.836 54.000 0.109 0.000 0.879 51 D CB 0.379 41.201 40.800 0.038 0.000 0.921 51 D HN 0.401 nan 8.370 nan 0.000 0.510 52 Q N 0.490 120.357 119.800 0.112 0.000 2.083 52 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 52 Q C 1.918 178.001 176.000 0.139 0.000 0.969 52 Q CA 1.046 56.920 55.803 0.118 0.000 0.838 52 Q CB -0.266 28.517 28.738 0.074 0.000 0.900 52 Q HN 0.302 nan 8.270 nan 0.000 0.436 53 I N -0.240 120.407 120.570 0.130 0.000 2.226 53 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 53 I C 2.022 178.227 176.117 0.147 0.000 1.100 53 I CA 1.338 62.714 61.300 0.125 0.000 1.374 53 I CB -0.408 37.658 38.000 0.110 0.000 1.057 53 I HN 0.293 nan 8.210 nan 0.000 0.413 54 Y N 2.431 122.774 120.300 0.072 0.000 2.128 54 Y HA -0.316 4.234 4.550 -0.000 0.000 0.284 54 Y C 2.390 178.350 175.900 0.099 0.000 1.154 54 Y CA 1.918 60.066 58.100 0.080 0.000 1.149 54 Y CB -0.250 38.253 38.460 0.072 0.000 0.976 54 Y HN 0.191 nan 8.280 nan 0.000 0.505 55 N N -0.098 118.684 118.700 0.137 0.000 2.166 55 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 55 N C 1.878 177.403 175.510 0.026 0.000 1.019 55 N CA 1.610 54.702 53.050 0.069 0.000 0.856 55 N CB -0.665 37.919 38.487 0.162 0.000 0.993 55 N HN 0.323 nan 8.380 nan 0.000 0.426 56 V N 0.331 120.285 119.914 0.067 0.000 2.427 56 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 56 V C 2.323 178.451 176.094 0.056 0.000 1.051 56 V CA 0.921 63.272 62.300 0.086 0.000 1.048 56 V CB -0.352 31.538 31.823 0.113 0.000 0.666 56 V HN 0.071 nan 8.190 nan 0.000 0.456 57 V N -0.341 119.569 119.914 -0.007 0.000 2.307 57 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 57 V C 2.420 178.490 176.094 -0.040 0.000 1.045 57 V CA 1.859 64.145 62.300 -0.022 0.000 1.024 57 V CB -0.202 31.581 31.823 -0.067 0.000 0.651 57 V HN 0.403 nan 8.190 nan 0.000 0.449 58 V N -0.141 119.668 119.914 -0.174 0.000 2.343 58 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 58 V C 2.558 178.670 176.094 0.030 0.000 1.051 58 V CA 2.635 64.878 62.300 -0.096 0.000 1.036 58 V CB -1.029 30.683 31.823 -0.186 0.000 0.654 58 V HN 0.623 nan 8.190 nan 0.000 0.451 59 T N 0.563 115.122 114.554 0.008 0.000 2.674 59 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 59 T C 2.059 176.773 174.700 0.023 0.000 1.039 59 T CA 1.778 63.868 62.100 -0.016 0.000 1.150 59 T CB -0.491 68.410 68.868 0.054 0.000 0.864 59 T HN 0.571 nan 8.240 nan 0.000 0.427 60 A N 1.111 124.031 122.820 0.167 0.000 1.930 60 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 60 A C 1.996 179.711 177.584 0.219 0.000 1.175 60 A CA 2.203 54.404 52.037 0.273 0.000 0.627 60 A CB -0.948 18.208 19.000 0.261 0.000 0.815 60 A HN 0.716 nan 8.150 nan 0.000 0.443 61 H N 0.369 119.481 119.070 0.069 0.000 2.319 61 H HA -0.066 4.490 4.556 -0.000 0.000 0.297 61 H C 2.096 177.422 175.328 -0.004 0.000 1.097 61 H CA 2.359 58.436 56.048 0.049 0.000 1.285 61 H CB -0.384 29.398 29.762 0.034 0.000 1.368 61 H HN 0.361 nan 8.280 nan 0.000 0.495 62 A N 0.052 122.704 122.820 -0.280 0.000 1.858 62 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 62 A C 2.251 179.613 177.584 -0.370 0.000 1.190 62 A CA 1.502 53.222 52.037 -0.529 0.000 0.617 62 A CB -1.128 17.503 19.000 -0.617 0.000 0.827 62 A HN 0.449 nan 8.150 nan 0.000 0.443 63 F N 0.066 119.994 119.950 -0.036 0.000 2.126 63 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 63 F C 2.539 178.302 175.800 -0.061 0.000 1.096 63 F CA 1.178 59.222 58.000 0.072 0.000 1.255 63 F CB -1.013 38.039 39.000 0.088 0.000 0.997 63 F HN 0.022 nan 8.300 nan 0.000 0.479 64 V N -0.393 119.627 119.914 0.176 0.000 2.261 64 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 64 V C 2.519 178.606 176.094 -0.011 0.000 1.047 64 V CA 1.576 63.956 62.300 0.133 0.000 1.015 64 V CB -0.537 31.416 31.823 0.215 0.000 0.642 64 V HN 0.215 nan 8.190 nan 0.000 0.446 65 M N -0.992 118.526 119.600 -0.136 0.000 2.117 65 M HA -0.104 4.376 4.480 -0.000 0.000 0.262 65 M C 2.104 178.267 176.300 -0.229 0.000 1.065 65 M CA 1.905 57.090 55.300 -0.192 0.000 1.114 65 M CB -0.956 31.437 32.600 -0.346 0.000 1.361 65 M HN 0.288 nan 8.290 nan 0.000 0.408 66 I N -1.279 119.089 120.570 -0.337 0.000 2.206 66 I HA -0.236 3.934 4.170 -0.000 0.000 0.239 66 I C 1.979 177.796 176.117 -0.500 0.000 1.078 66 I CA 1.188 62.186 61.300 -0.504 0.000 1.367 66 I CB -0.346 37.179 38.000 -0.793 0.000 1.078 66 I HN 0.051 nan 8.210 nan 0.000 0.413 67 F N -0.546 119.201 119.950 -0.337 0.000 2.512 67 F HA -0.012 4.515 4.527 -0.000 0.000 0.296 67 F C 1.711 177.239 175.800 -0.454 0.000 1.110 67 F CA 0.811 58.527 58.000 -0.474 0.000 1.446 67 F CB -0.099 38.447 39.000 -0.756 0.000 1.092 67 F HN -0.040 nan 8.300 nan 0.000 0.554 68 F N -2.372 117.659 119.950 0.135 0.000 2.694 68 F HA 0.191 4.718 4.527 -0.000 0.000 0.292 68 F C 1.922 177.816 175.800 0.157 0.000 1.121 68 F CA 0.033 58.115 58.000 0.137 0.000 1.352 68 F CB -0.309 38.483 39.000 -0.346 0.000 1.107 68 F HN -0.110 nan 8.300 nan 0.000 0.597 69 M N -0.425 119.287 119.600 0.188 0.000 2.749 69 M HA 0.083 4.563 4.480 -0.000 0.000 0.240 69 M C 2.055 178.434 176.300 0.130 0.000 1.285 69 M CA 1.192 56.583 55.300 0.152 0.000 1.267 69 M CB -0.503 32.139 32.600 0.070 0.000 1.184 69 M HN -0.078 nan 8.290 nan 0.000 0.526 70 V N 1.703 121.637 119.914 0.033 0.000 2.237 70 V HA -0.325 3.795 4.120 -0.000 0.000 0.245 70 V C 2.578 178.696 176.094 0.040 0.000 1.046 70 V CA 2.191 64.501 62.300 0.016 0.000 1.007 70 V CB -0.795 30.977 31.823 -0.086 0.000 0.638 70 V HN 0.506 nan 8.190 nan 0.000 0.445 71 M N -0.598 118.997 119.600 -0.007 0.000 2.086 71 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 71 M C -0.039 176.317 176.300 0.093 0.000 1.067 71 M CA 2.290 57.597 55.300 0.011 0.000 1.116 71 M CB -1.525 31.057 32.600 -0.029 0.000 1.348 71 M HN 0.280 nan 8.290 nan 0.000 0.407 72 P HA -0.114 nan 4.420 nan 0.000 0.215 72 P C 1.407 178.844 177.300 0.228 0.000 1.153 72 P CA 1.322 64.624 63.100 0.336 0.000 0.853 72 P CB -0.095 31.984 31.700 0.631 0.000 0.788 73 I N -1.995 118.722 120.570 0.244 0.000 2.133 73 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 73 I C 2.443 178.716 176.117 0.260 0.000 1.074 73 I CA 1.689 63.120 61.300 0.220 0.000 1.342 73 I CB -0.520 37.627 38.000 0.246 0.000 1.053 73 I HN -0.083 nan 8.210 nan 0.000 0.404 74 M N 0.076 119.842 119.600 0.276 0.000 2.099 74 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 74 M C 2.288 178.717 176.300 0.215 0.000 1.067 74 M CA 2.078 57.576 55.300 0.330 0.000 1.124 74 M CB -0.220 32.491 32.600 0.185 0.000 1.353 74 M HN 0.174 nan 8.290 nan 0.000 0.410 75 I N -1.174 119.414 120.570 0.030 0.000 2.385 75 I HA -0.015 4.155 4.170 -0.000 0.000 0.244 75 I C 2.571 178.613 176.117 -0.125 0.000 1.089 75 I CA 1.097 62.320 61.300 -0.128 0.000 1.410 75 I CB -0.808 37.098 38.000 -0.157 0.000 1.117 75 I HN 0.289 nan 8.210 nan 0.000 0.429 76 G N 0.394 108.985 108.800 -0.348 0.000 2.403 76 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.216 76 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.216 76 G C 1.588 176.191 174.900 -0.495 0.000 1.154 76 G CA 0.795 45.275 45.100 -1.032 0.000 0.784 76 G HN 0.469 nan 8.290 nan 0.000 0.538 77 G N 0.456 109.167 108.800 -0.150 0.000 2.551 77 G HA2 0.045 4.005 3.960 -0.000 0.000 0.214 77 G HA3 0.045 4.005 3.960 -0.000 0.000 0.214 77 G C 1.523 176.419 174.900 -0.007 0.000 1.250 77 G CA 0.395 45.483 45.100 -0.021 0.000 0.825 77 G HN 0.293 nan 8.290 nan 0.000 0.549 78 F N 1.754 121.782 119.950 0.131 0.000 2.171 78 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 78 F C 2.933 178.842 175.800 0.181 0.000 1.090 78 F CA 0.846 58.890 58.000 0.072 0.000 1.293 78 F CB -0.256 38.727 39.000 -0.029 0.000 1.013 78 F HN 0.238 nan 8.300 nan 0.000 0.486 79 G N 0.017 109.064 108.800 0.412 0.000 2.433 79 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 79 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 79 G C 1.638 176.843 174.900 0.508 0.000 1.186 79 G CA 0.959 46.264 45.100 0.343 0.000 0.779 79 G HN 0.219 nan 8.290 nan 0.000 0.543 80 N N -0.163 118.787 118.700 0.417 0.000 2.120 80 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 80 N C 1.929 177.575 175.510 0.226 0.000 1.024 80 N CA 0.946 54.140 53.050 0.240 0.000 0.852 80 N CB -0.287 38.247 38.487 0.078 0.000 1.003 80 N HN 0.571 nan 8.380 nan 0.000 0.424 81 W N 1.407 122.709 121.300 0.003 0.000 2.378 81 W HA 0.016 4.676 4.660 -0.000 0.000 0.313 81 W C 2.184 178.722 176.519 0.033 0.000 1.197 81 W CA 0.633 57.904 57.345 -0.123 0.000 1.304 81 W CB -0.259 28.871 29.460 -0.550 0.000 1.148 81 W HN 0.004 nan 8.180 nan 0.000 0.494 82 L N -1.408 119.999 121.223 0.307 0.000 2.127 82 L HA -0.125 4.215 4.340 -0.000 0.000 0.203 82 L C 2.110 179.095 176.870 0.191 0.000 1.080 82 L CA 0.341 55.264 54.840 0.139 0.000 0.768 82 L CB -1.384 40.538 42.059 -0.229 0.000 0.924 82 L HN -0.198 nan 8.230 nan 0.000 0.444 83 V N 0.747 120.820 119.914 0.265 0.000 2.252 83 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 83 V C -0.086 176.015 176.094 0.011 0.000 1.056 83 V CA 2.292 64.695 62.300 0.172 0.000 1.022 83 V CB -1.574 30.392 31.823 0.238 0.000 0.641 83 V HN 0.322 nan 8.190 nan 0.000 0.445 84 P HA -0.113 nan 4.420 nan 0.000 0.216 84 P C 1.938 179.119 177.300 -0.197 0.000 1.153 84 P CA 1.356 64.273 63.100 -0.305 0.000 0.848 84 P CB -0.068 31.155 31.700 -0.796 0.000 0.787 85 L N -1.889 119.342 121.223 0.013 0.000 2.046 85 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 85 L C 2.451 179.369 176.870 0.080 0.000 1.077 85 L CA 1.584 56.543 54.840 0.198 0.000 0.747 85 L CB -0.860 41.389 42.059 0.316 0.000 0.896 85 L HN 0.002 nan 8.230 nan 0.000 0.432 86 M N -0.211 119.434 119.600 0.074 0.000 2.460 86 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 86 M C 1.756 178.059 176.300 0.005 0.000 1.071 86 M CA 1.399 56.761 55.300 0.103 0.000 1.096 86 M CB -0.033 32.676 32.600 0.183 0.000 1.408 86 M HN 0.362 nan 8.290 nan 0.000 0.463 87 I N -4.456 116.039 120.570 -0.125 0.000 4.025 87 I HA 0.473 4.643 4.170 -0.000 0.000 0.336 87 I C 0.897 176.790 176.117 -0.373 0.000 1.390 87 I CA -0.003 61.186 61.300 -0.185 0.000 1.099 87 I CB -0.086 37.817 38.000 -0.161 0.000 1.049 87 I HN 0.289 nan 8.210 nan 0.000 0.394 88 G N 2.002 110.374 108.800 -0.713 0.000 2.198 88 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 88 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 88 G C 0.324 174.617 174.900 -1.011 0.000 1.025 88 G CA 0.191 44.380 45.100 -1.518 0.000 0.769 88 G HN 0.947 nan 8.290 nan 0.000 0.507 89 A N 0.277 122.733 122.820 -0.606 0.000 2.316 89 A HA 0.809 5.129 4.320 -0.000 0.000 0.284 89 A C -0.057 177.420 177.584 -0.178 0.000 1.115 89 A CA -0.807 51.036 52.037 -0.322 0.000 0.812 89 A CB 1.015 19.844 19.000 -0.286 0.000 1.064 89 A HN 0.123 nan 8.150 nan 0.000 0.489 90 P HA -0.024 nan 4.420 nan 0.000 0.223 90 P C 0.100 177.387 177.300 -0.022 0.000 1.151 90 P CA 1.163 64.290 63.100 0.047 0.000 0.787 90 P CB 0.378 32.101 31.700 0.038 0.000 0.788 91 D N -2.924 117.371 120.400 -0.174 0.000 3.024 91 D HA 0.114 4.754 4.640 -0.000 0.000 0.354 91 D C -0.629 175.483 176.300 -0.313 0.000 1.431 91 D CA -0.498 53.351 54.000 -0.252 0.000 0.842 91 D CB 0.371 41.123 40.800 -0.080 0.000 1.437 91 D HN -0.333 nan 8.370 nan 0.000 0.507 92 M N 0.998 120.426 119.600 -0.287 0.000 2.163 92 M HA 0.333 4.813 4.480 -0.000 0.000 0.305 92 M C 1.317 177.404 176.300 -0.354 0.000 1.166 92 M CA 0.082 55.178 55.300 -0.339 0.000 1.132 92 M CB 0.429 32.827 32.600 -0.337 0.000 1.413 92 M HN 0.610 nan 8.290 nan 0.000 0.478 93 A N 1.271 123.772 122.820 -0.531 0.000 1.933 93 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 93 A C 0.450 177.600 177.584 -0.724 0.000 1.175 93 A CA 1.535 53.110 52.037 -0.769 0.000 0.628 93 A CB -0.268 17.977 19.000 -1.259 0.000 0.814 93 A HN 0.578 nan 8.150 nan 0.000 0.444 94 F N -0.459 119.429 119.950 -0.103 0.000 2.449 94 F HA 0.339 4.866 4.527 -0.000 0.000 0.344 94 F C -1.828 173.926 175.800 -0.076 0.000 1.180 94 F CA -3.023 54.932 58.000 -0.075 0.000 1.209 94 F CB 0.932 39.894 39.000 -0.064 0.000 1.440 94 F HN 0.062 nan 8.300 nan 0.000 0.526 95 P HA -0.170 nan 4.420 nan 0.000 0.222 95 P C 1.629 178.949 177.300 0.032 0.000 1.147 95 P CA 1.223 64.321 63.100 -0.004 0.000 0.790 95 P CB 0.486 32.169 31.700 -0.028 0.000 0.780 96 R N -0.474 120.063 120.500 0.062 0.000 2.075 96 R HA 0.122 4.462 4.340 -0.000 0.000 0.220 96 R C 2.528 178.872 176.300 0.073 0.000 1.118 96 R CA 0.633 56.767 56.100 0.057 0.000 0.986 96 R CB -0.658 29.663 30.300 0.036 0.000 0.884 96 R HN 0.009 nan 8.270 nan 0.000 0.439 97 M N 1.094 120.745 119.600 0.085 0.000 2.213 97 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 97 M C 1.626 177.987 176.300 0.101 0.000 1.062 97 M CA 1.854 57.200 55.300 0.078 0.000 1.105 97 M CB -0.204 32.436 32.600 0.067 0.000 1.385 97 M HN 0.131 nan 8.290 nan 0.000 0.417 98 N N 0.881 119.639 118.700 0.097 0.000 2.149 98 N HA -0.225 4.515 4.740 -0.000 0.000 0.188 98 N C 1.345 176.937 175.510 0.137 0.000 1.019 98 N CA 1.857 54.958 53.050 0.086 0.000 0.857 98 N CB -0.407 38.086 38.487 0.010 0.000 0.997 98 N HN 0.419 nan 8.380 nan 0.000 0.426 99 N N -0.191 118.590 118.700 0.135 0.000 2.244 99 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 99 N C 1.656 177.335 175.510 0.281 0.000 1.016 99 N CA 0.831 54.007 53.050 0.210 0.000 0.866 99 N CB -0.184 38.449 38.487 0.243 0.000 0.980 99 N HN 0.388 nan 8.380 nan 0.000 0.430 100 M N -0.765 118.956 119.600 0.201 0.000 2.254 100 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 100 M C 1.657 178.028 176.300 0.119 0.000 1.066 100 M CA 0.921 56.328 55.300 0.178 0.000 1.123 100 M CB 0.041 32.705 32.600 0.108 0.000 1.388 100 M HN 0.017 nan 8.290 nan 0.000 0.425 101 S N 0.426 116.202 115.700 0.126 0.000 2.383 101 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 101 S C 1.451 176.075 174.600 0.039 0.000 1.030 101 S CA 1.486 59.768 58.200 0.136 0.000 1.002 101 S CB -0.504 62.835 63.200 0.232 0.000 0.829 101 S HN 0.629 nan 8.310 nan 0.000 0.467 102 F N 0.689 120.536 119.950 -0.172 0.000 2.098 102 F HA -0.012 4.515 4.527 -0.000 0.000 0.294 102 F C 1.654 177.084 175.800 -0.617 0.000 1.107 102 F CA 1.052 58.630 58.000 -0.703 0.000 1.234 102 F CB -0.613 37.773 39.000 -1.024 0.000 1.002 102 F HN 0.212 nan 8.300 nan 0.000 0.472 103 W N 0.569 121.651 121.300 -0.362 0.000 2.611 103 W HA -0.049 4.611 4.660 -0.000 0.000 0.251 103 W C 1.940 178.264 176.519 -0.325 0.000 1.265 103 W CA 0.386 57.519 57.345 -0.352 0.000 1.295 103 W CB -0.364 29.072 29.460 -0.041 0.000 1.129 103 W HN 0.059 nan 8.180 nan 0.000 0.630 104 L N -0.351 120.803 121.223 -0.116 0.000 2.395 104 L HA -0.121 4.219 4.340 -0.000 0.000 0.218 104 L C 2.072 178.864 176.870 -0.131 0.000 1.130 104 L CA 0.577 55.380 54.840 -0.061 0.000 0.826 104 L CB -0.416 41.638 42.059 -0.010 0.000 0.941 104 L HN 0.079 nan 8.230 nan 0.000 0.451 105 L N -0.250 120.740 121.223 -0.388 0.000 2.044 105 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 105 L C -0.189 176.516 176.870 -0.274 0.000 1.075 105 L CA 1.192 55.779 54.840 -0.423 0.000 0.747 105 L CB -1.660 39.832 42.059 -0.944 0.000 0.903 105 L HN 0.182 nan 8.230 nan 0.000 0.435 106 P HA -0.102 nan 4.420 nan 0.000 0.215 106 P C -1.375 175.976 177.300 0.085 0.000 1.153 106 P CA 1.505 64.655 63.100 0.084 0.000 0.853 106 P CB -0.871 30.888 31.700 0.098 0.000 0.788 107 P HA -0.124 nan 4.420 nan 0.000 0.216 107 P C 1.910 179.262 177.300 0.086 0.000 1.153 107 P CA 1.638 64.774 63.100 0.059 0.000 0.848 107 P CB -0.448 31.278 31.700 0.043 0.000 0.787 108 S N -1.702 114.056 115.700 0.097 0.000 2.370 108 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 108 S C 1.802 176.522 174.600 0.200 0.000 1.033 108 S CA 1.075 59.383 58.200 0.179 0.000 1.011 108 S CB -1.095 62.272 63.200 0.278 0.000 0.852 108 S HN 0.055 nan 8.310 nan 0.000 0.457 109 F N 0.685 120.495 119.950 -0.232 0.000 2.146 109 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 109 F C 2.038 177.782 175.800 -0.094 0.000 1.096 109 F CA 0.773 58.493 58.000 -0.467 0.000 1.275 109 F CB -0.086 38.576 39.000 -0.564 0.000 1.008 109 F HN 0.297 nan 8.300 nan 0.000 0.480 110 L N 0.803 122.119 121.223 0.154 0.000 2.083 110 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 110 L C 1.899 178.839 176.870 0.117 0.000 1.083 110 L CA 1.707 56.594 54.840 0.078 0.000 0.752 110 L CB -0.813 41.272 42.059 0.043 0.000 0.899 110 L HN 0.146 nan 8.230 nan 0.000 0.433 111 L N -1.398 119.909 121.223 0.140 0.000 2.093 111 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 111 L C 2.457 179.425 176.870 0.163 0.000 1.085 111 L CA 1.101 56.027 54.840 0.144 0.000 0.755 111 L CB -0.507 41.645 42.059 0.155 0.000 0.904 111 L HN 0.345 nan 8.230 nan 0.000 0.435 112 L N -0.458 120.899 121.223 0.223 0.000 2.056 112 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 112 L C 2.329 179.348 176.870 0.248 0.000 1.078 112 L CA 1.458 56.451 54.840 0.254 0.000 0.749 112 L CB -0.128 42.181 42.059 0.416 0.000 0.901 112 L HN 0.110 nan 8.230 nan 0.000 0.433 113 L N -0.701 120.669 121.223 0.245 0.000 2.141 113 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 113 L C 2.692 179.635 176.870 0.121 0.000 1.094 113 L CA 0.885 55.825 54.840 0.165 0.000 0.763 113 L CB -0.901 41.205 42.059 0.078 0.000 0.908 113 L HN 0.359 nan 8.230 nan 0.000 0.437 114 A N 0.318 123.206 122.820 0.113 0.000 1.902 114 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 114 A C 2.556 180.201 177.584 0.102 0.000 1.181 114 A CA 1.919 54.013 52.037 0.094 0.000 0.623 114 A CB -0.703 18.352 19.000 0.091 0.000 0.818 114 A HN 0.496 nan 8.150 nan 0.000 0.443 115 S N 0.470 116.240 115.700 0.117 0.000 2.419 115 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 115 S C 1.987 176.656 174.600 0.115 0.000 1.016 115 S CA 1.874 60.140 58.200 0.111 0.000 0.974 115 S CB -0.730 62.532 63.200 0.104 0.000 0.786 115 S HN 0.933 nan 8.310 nan 0.000 0.492 116 S N 0.452 116.227 115.700 0.125 0.000 2.501 116 S HA 0.212 4.682 4.470 -0.000 0.000 0.220 116 S C 1.856 176.515 174.600 0.098 0.000 0.997 116 S CA 0.229 58.501 58.200 0.121 0.000 0.919 116 S CB -0.323 62.958 63.200 0.136 0.000 0.778 116 S HN 0.358 nan 8.310 nan 0.000 0.523 117 M N 2.225 121.878 119.600 0.088 0.000 2.248 117 M HA 0.231 4.711 4.480 -0.000 0.000 0.265 117 M C 1.204 177.544 176.300 0.066 0.000 1.079 117 M CA 0.582 55.925 55.300 0.071 0.000 1.150 117 M CB -0.970 31.668 32.600 0.063 0.000 1.366 117 M HN 0.417 nan 8.290 nan 0.000 0.433 118 V N -0.624 119.333 119.914 0.072 0.000 2.953 118 V HA 0.277 4.396 4.120 -0.000 0.000 0.304 118 V C 0.925 177.061 176.094 0.070 0.000 1.073 118 V CA -0.977 61.363 62.300 0.067 0.000 1.064 118 V CB 0.840 32.705 31.823 0.068 0.000 1.047 118 V HN 0.570 nan 8.190 nan 0.000 0.478 119 E N 2.348 122.584 120.200 0.060 0.000 3.401 119 E HA -0.350 4.000 4.350 -0.000 0.000 0.352 119 E C 0.899 177.535 176.600 0.061 0.000 1.523 119 E CA 2.186 58.620 56.400 0.058 0.000 1.794 119 E CB -1.625 28.114 29.700 0.066 0.000 1.792 119 E HN 1.564 nan 8.360 nan 0.000 0.471 120 A N 1.477 124.338 122.820 0.069 0.000 2.594 120 A HA 0.521 4.841 4.320 -0.000 0.000 0.287 120 A C 0.830 178.481 177.584 0.111 0.000 1.227 120 A CA 1.377 53.457 52.037 0.072 0.000 0.952 120 A CB -0.017 19.008 19.000 0.042 0.000 1.161 120 A HN 1.342 nan 8.150 nan 0.000 0.524 121 G N -0.900 107.975 108.800 0.124 0.000 2.855 121 G HA2 0.285 4.245 3.960 -0.000 0.000 0.352 121 G HA3 0.285 4.245 3.960 -0.000 0.000 0.352 121 G C 0.138 175.158 174.900 0.199 0.000 1.415 121 G CA -0.293 44.894 45.100 0.145 0.000 0.871 121 G HN 1.787 nan 8.290 nan 0.000 0.543 122 A N 0.363 123.273 122.820 0.151 0.000 2.444 122 A HA 0.721 5.041 4.320 -0.000 0.000 0.332 122 A C 0.912 178.531 177.584 0.058 0.000 1.430 122 A CA 0.803 52.872 52.037 0.055 0.000 0.975 122 A CB 0.297 19.300 19.000 0.005 0.000 1.147 122 A HN 2.293 nan 8.150 nan 0.000 0.524 123 G N 1.620 110.533 108.800 0.188 0.000 3.860 123 G HA2 0.358 4.318 3.960 -0.000 0.000 0.269 123 G HA3 0.358 4.318 3.960 -0.000 0.000 0.269 123 G C 0.736 175.674 174.900 0.062 0.000 1.112 123 G CA 0.523 45.721 45.100 0.163 0.000 1.674 123 G HN 0.772 nan 8.290 nan 0.000 0.628 124 T N -2.545 111.952 114.554 -0.094 0.000 2.990 124 T HA 0.490 4.840 4.350 -0.000 0.000 0.250 124 T C 1.169 175.794 174.700 -0.125 0.000 1.041 124 T CA 0.495 62.505 62.100 -0.150 0.000 1.010 124 T CB 0.610 69.319 68.868 -0.265 0.000 1.003 124 T HN 1.572 nan 8.240 nan 0.000 0.499 125 G N 1.655 110.404 108.800 -0.085 0.000 2.692 125 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 125 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 125 G C 0.223 175.008 174.900 -0.191 0.000 1.243 125 G CA -0.265 44.769 45.100 -0.110 0.000 0.782 125 G HN 0.612 nan 8.290 nan 0.000 0.625 126 W N 1.010 122.039 121.300 -0.452 0.000 2.538 126 W HA -0.056 4.604 4.660 -0.000 0.000 0.254 126 W C 1.448 177.732 176.519 -0.392 0.000 1.249 126 W CA 1.946 58.838 57.345 -0.755 0.000 1.253 126 W CB -1.430 27.492 29.460 -0.896 0.000 1.130 126 W HN 1.052 nan 8.180 nan 0.000 0.618 127 T N -1.148 112.778 114.554 -1.046 0.000 3.043 127 T HA 0.030 4.380 4.350 -0.000 0.000 0.263 127 T C 1.223 175.369 174.700 -0.924 0.000 1.094 127 T CA 0.830 61.949 62.100 -1.635 0.000 1.127 127 T CB -0.798 67.066 68.868 -1.673 0.000 0.905 127 T HN 0.137 nan 8.240 nan 0.000 0.490 128 V N 0.850 120.472 119.914 -0.487 0.000 5.175 128 V HA -0.234 3.886 4.120 -0.000 0.000 0.279 128 V C 0.192 176.047 176.094 -0.399 0.000 0.571 128 V CA 0.370 62.495 62.300 -0.292 0.000 0.694 128 V CB -2.912 28.840 31.823 -0.119 0.000 0.525 128 V HN 0.706 nan 8.190 nan 0.000 1.093 129 Y N 1.874 121.880 120.300 -0.491 0.000 2.526 129 Y HA 0.255 4.804 4.550 -0.000 0.000 0.330 129 Y C -0.906 174.717 175.900 -0.462 0.000 1.156 129 Y CA -1.737 56.033 58.100 -0.549 0.000 1.419 129 Y CB 1.008 39.320 38.460 -0.248 0.000 1.250 129 Y HN 0.275 nan 8.280 nan 0.000 0.540 130 P HA 0.200 nan 4.420 nan 0.000 0.281 130 P C -2.464 174.792 177.300 -0.073 0.000 1.264 130 P CA -2.096 60.886 63.100 -0.197 0.000 0.824 130 P CB 1.450 33.035 31.700 -0.190 0.000 1.092 131 P HA 0.013 nan 4.420 nan 0.000 0.233 131 P C 1.550 178.878 177.300 0.046 0.000 1.167 131 P CA 0.157 63.275 63.100 0.031 0.000 0.770 131 P CB -0.092 31.639 31.700 0.051 0.000 0.837 132 L N 0.469 121.725 121.223 0.054 0.000 2.081 132 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 132 L C 1.949 178.902 176.870 0.139 0.000 1.080 132 L CA 2.085 56.994 54.840 0.115 0.000 0.754 132 L CB -1.319 40.803 42.059 0.106 0.000 0.893 132 L HN -0.058 nan 8.230 nan 0.000 0.433 133 A N -0.960 121.846 122.820 -0.024 0.000 2.251 133 A HA 0.410 4.730 4.320 -0.000 0.000 0.209 133 A C 1.361 178.931 177.584 -0.022 0.000 1.187 133 A CA 0.348 52.322 52.037 -0.105 0.000 0.823 133 A CB -1.240 17.623 19.000 -0.227 0.000 0.846 133 A HN 0.470 nan 8.150 nan 0.000 0.486 134 G N 0.065 108.881 108.800 0.027 0.000 2.651 134 G HA2 0.264 4.224 3.960 -0.000 0.000 0.260 134 G HA3 0.264 4.224 3.960 -0.000 0.000 0.260 134 G C 0.587 175.530 174.900 0.072 0.000 1.216 134 G CA 0.117 45.246 45.100 0.049 0.000 0.913 134 G HN 0.465 nan 8.290 nan 0.000 0.535 135 N N -0.608 118.127 118.700 0.059 0.000 2.609 135 N HA -0.068 4.672 4.740 -0.000 0.000 0.190 135 N C 1.362 176.901 175.510 0.048 0.000 1.157 135 N CA 0.616 53.699 53.050 0.055 0.000 0.918 135 N CB 0.099 38.613 38.487 0.044 0.000 0.978 135 N HN 0.301 nan 8.380 nan 0.000 0.448 136 L N -0.832 120.420 121.223 0.048 0.000 2.433 136 L HA 0.504 4.844 4.340 -0.000 0.000 0.200 136 L C 1.986 178.870 176.870 0.025 0.000 1.059 136 L CA 0.961 55.821 54.840 0.033 0.000 0.835 136 L CB -0.856 41.222 42.059 0.031 0.000 1.076 136 L HN 0.116 nan 8.230 nan 0.000 0.481 137 A N -1.869 120.977 122.820 0.043 0.000 2.123 137 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 137 A C 0.317 177.878 177.584 -0.039 0.000 1.152 137 A CA 0.729 52.780 52.037 0.024 0.000 0.728 137 A CB -0.626 18.421 19.000 0.078 0.000 0.814 137 A HN 0.621 nan 8.150 nan 0.000 0.464 138 H N -0.973 118.106 119.070 0.016 0.000 2.597 138 H HA 0.526 5.082 4.556 -0.000 0.000 0.225 138 H C 0.068 175.406 175.328 0.017 0.000 1.422 138 H CA -0.082 55.976 56.048 0.017 0.000 1.335 138 H CB 0.456 30.224 29.762 0.011 0.000 1.783 138 H HN 0.414 nan 8.280 nan 0.000 0.513 139 A N 1.046 123.899 122.820 0.056 0.000 2.445 139 A HA 0.587 4.907 4.320 -0.000 0.000 0.242 139 A C 1.039 178.658 177.584 0.058 0.000 1.075 139 A CA 0.821 52.888 52.037 0.050 0.000 0.777 139 A CB -0.154 18.861 19.000 0.024 0.000 1.013 139 A HN 0.861 nan 8.150 nan 0.000 0.493 140 G N -0.694 108.141 108.800 0.059 0.000 2.525 140 G HA2 0.374 4.334 3.960 -0.000 0.000 0.685 140 G HA3 0.374 4.334 3.960 -0.000 0.000 0.685 140 G C 0.661 175.603 174.900 0.071 0.000 1.290 140 G CA 0.134 45.272 45.100 0.062 0.000 0.915 140 G HN 1.932 nan 8.290 nan 0.000 0.548 141 A N -0.348 122.516 122.820 0.074 0.000 2.066 141 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 141 A C 2.703 180.335 177.584 0.080 0.000 1.157 141 A CA 2.607 54.694 52.037 0.082 0.000 0.670 141 A CB -0.680 18.373 19.000 0.090 0.000 0.804 141 A HN 1.594 nan 8.150 nan 0.000 0.453 142 S N -0.178 115.574 115.700 0.088 0.000 2.369 142 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 142 S C 1.851 176.479 174.600 0.047 0.000 1.043 142 S CA 1.795 60.048 58.200 0.089 0.000 1.074 142 S CB -0.623 62.652 63.200 0.125 0.000 0.962 142 S HN 0.372 nan 8.310 nan 0.000 0.433 143 V N 2.354 122.282 119.914 0.025 0.000 2.515 143 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 143 V C 1.958 177.991 176.094 -0.102 0.000 1.058 143 V CA 1.631 63.901 62.300 -0.051 0.000 1.064 143 V CB -0.665 31.114 31.823 -0.073 0.000 0.675 143 V HN 0.416 nan 8.190 nan 0.000 0.461 144 D N -0.020 120.330 120.400 -0.083 0.000 2.149 144 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 144 D C 2.130 178.318 176.300 -0.188 0.000 0.972 144 D CA 1.018 54.893 54.000 -0.208 0.000 0.835 144 D CB -0.020 40.720 40.800 -0.100 0.000 0.966 144 D HN 0.351 nan 8.370 nan 0.000 0.476 145 L N 0.686 121.930 121.223 0.035 0.000 2.141 145 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 145 L C 2.497 179.396 176.870 0.049 0.000 1.094 145 L CA 0.953 55.882 54.840 0.149 0.000 0.763 145 L CB -0.439 41.705 42.059 0.142 0.000 0.908 145 L HN -0.011 nan 8.230 nan 0.000 0.437 146 T N 0.097 114.620 114.554 -0.050 0.000 2.708 146 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 146 T C 1.918 176.454 174.700 -0.273 0.000 1.037 146 T CA 1.331 63.339 62.100 -0.154 0.000 1.146 146 T CB -0.175 68.615 68.868 -0.129 0.000 0.865 146 T HN 0.177 nan 8.240 nan 0.000 0.435 147 I N 0.288 120.675 120.570 -0.304 0.000 2.163 147 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 147 I C 2.019 177.906 176.117 -0.383 0.000 1.085 147 I CA 1.403 62.443 61.300 -0.433 0.000 1.347 147 I CB -0.369 37.326 38.000 -0.509 0.000 1.044 147 I HN 0.158 nan 8.210 nan 0.000 0.408 148 F N 0.295 120.201 119.950 -0.073 0.000 2.234 148 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 148 F C 2.917 178.715 175.800 -0.003 0.000 1.087 148 F CA 1.385 59.418 58.000 0.055 0.000 1.340 148 F CB -1.193 37.853 39.000 0.077 0.000 1.031 148 F HN 0.026 nan 8.300 nan 0.000 0.500 149 S N 0.216 115.974 115.700 0.096 0.000 2.356 149 S HA -0.159 4.311 4.470 -0.000 0.000 0.223 149 S C 2.184 176.730 174.600 -0.090 0.000 1.032 149 S CA 1.141 59.366 58.200 0.042 0.000 1.005 149 S CB -0.422 62.776 63.200 -0.005 0.000 0.867 149 S HN 0.353 nan 8.310 nan 0.000 0.449 150 L N 0.124 121.164 121.223 -0.305 0.000 2.141 150 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 150 L C 2.422 179.152 176.870 -0.232 0.000 1.094 150 L CA 1.579 56.143 54.840 -0.460 0.000 0.763 150 L CB -0.636 41.061 42.059 -0.604 0.000 0.908 150 L HN 0.481 nan 8.230 nan 0.000 0.437 151 H N -0.477 118.537 119.070 -0.092 0.000 2.321 151 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 151 H C 2.329 177.653 175.328 -0.008 0.000 1.087 151 H CA 1.193 57.227 56.048 -0.023 0.000 1.319 151 H CB 0.152 29.968 29.762 0.089 0.000 1.379 151 H HN 0.199 nan 8.280 nan 0.000 0.501 152 L N -0.104 121.211 121.223 0.152 0.000 2.056 152 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 152 L C 2.818 179.735 176.870 0.079 0.000 1.078 152 L CA 0.871 55.770 54.840 0.098 0.000 0.749 152 L CB -0.622 41.493 42.059 0.094 0.000 0.901 152 L HN 0.340 nan 8.230 nan 0.000 0.433 153 A N 0.570 123.427 122.820 0.062 0.000 1.930 153 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 153 A C 2.404 180.034 177.584 0.077 0.000 1.175 153 A CA 1.622 53.706 52.037 0.079 0.000 0.627 153 A CB -1.045 17.944 19.000 -0.019 0.000 0.815 153 A HN 0.436 nan 8.150 nan 0.000 0.443 154 G N -0.587 108.227 108.800 0.024 0.000 2.402 154 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.216 154 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.216 154 G C 1.498 176.438 174.900 0.066 0.000 1.162 154 G CA 1.175 46.296 45.100 0.036 0.000 0.777 154 G HN 0.298 nan 8.290 nan 0.000 0.539 155 V N 0.963 120.916 119.914 0.065 0.000 2.295 155 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 155 V C 3.057 179.195 176.094 0.073 0.000 1.049 155 V CA 2.222 64.557 62.300 0.058 0.000 1.024 155 V CB -0.442 31.406 31.823 0.041 0.000 0.648 155 V HN 0.512 nan 8.190 nan 0.000 0.447 156 S N -0.195 115.555 115.700 0.083 0.000 2.359 156 S HA -0.254 4.216 4.470 -0.000 0.000 0.223 156 S C 2.200 176.884 174.600 0.139 0.000 1.039 156 S CA 2.436 60.699 58.200 0.104 0.000 1.042 156 S CB -0.381 62.878 63.200 0.098 0.000 0.915 156 S HN 0.583 nan 8.310 nan 0.000 0.439 157 S N 0.776 116.562 115.700 0.143 0.000 2.402 157 S HA 0.132 4.602 4.470 -0.000 0.000 0.229 157 S C 1.751 176.436 174.600 0.142 0.000 1.021 157 S CA 1.144 59.437 58.200 0.154 0.000 0.974 157 S CB -0.380 62.914 63.200 0.157 0.000 0.800 157 S HN 0.535 nan 8.310 nan 0.000 0.484 158 I N 1.223 121.864 120.570 0.118 0.000 2.252 158 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 158 I C 1.895 178.076 176.117 0.107 0.000 1.102 158 I CA 1.032 62.396 61.300 0.107 0.000 1.385 158 I CB -0.238 37.811 38.000 0.081 0.000 1.064 158 I HN 0.241 nan 8.210 nan 0.000 0.414 159 L N 0.094 121.376 121.223 0.098 0.000 2.093 159 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 159 L C 2.628 179.577 176.870 0.130 0.000 1.085 159 L CA 1.340 56.236 54.840 0.093 0.000 0.755 159 L CB -1.070 41.031 42.059 0.071 0.000 0.904 159 L HN 0.305 nan 8.230 nan 0.000 0.435 160 G N -0.295 108.599 108.800 0.158 0.000 2.408 160 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 160 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 160 G C 1.787 176.854 174.900 0.278 0.000 1.150 160 G CA 0.775 45.995 45.100 0.200 0.000 0.776 160 G HN 0.446 nan 8.290 nan 0.000 0.542 161 A N 0.915 123.875 122.820 0.234 0.000 1.877 161 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 161 A C 2.382 180.083 177.584 0.195 0.000 1.186 161 A CA 1.229 53.399 52.037 0.221 0.000 0.620 161 A CB -0.373 18.721 19.000 0.155 0.000 0.822 161 A HN 0.358 nan 8.150 nan 0.000 0.443 162 I N -0.092 120.577 120.570 0.164 0.000 2.208 162 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 162 I C 2.475 178.724 176.117 0.220 0.000 1.097 162 I CA 1.399 62.802 61.300 0.172 0.000 1.363 162 I CB -0.438 37.648 38.000 0.143 0.000 1.051 162 I HN 0.364 nan 8.210 nan 0.000 0.413 163 N N 1.000 119.816 118.700 0.193 0.000 2.084 163 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 163 N C 1.893 177.313 175.510 -0.151 0.000 1.030 163 N CA 1.702 54.777 53.050 0.042 0.000 0.849 163 N CB -0.268 38.190 38.487 -0.048 0.000 1.012 163 N HN 0.222 nan 8.380 nan 0.000 0.423 164 F N 0.982 120.918 119.950 -0.023 0.000 2.146 164 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 164 F C 2.330 178.075 175.800 -0.092 0.000 1.096 164 F CA 0.621 58.575 58.000 -0.075 0.000 1.275 164 F CB -0.158 38.802 39.000 -0.066 0.000 1.008 164 F HN 0.008 nan 8.300 nan 0.000 0.480 165 I N -0.612 120.041 120.570 0.138 0.000 2.179 165 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 165 I C 2.268 178.377 176.117 -0.013 0.000 1.088 165 I CA 1.574 62.905 61.300 0.051 0.000 1.357 165 I CB -0.801 37.239 38.000 0.066 0.000 1.051 165 I HN 0.105 nan 8.210 nan 0.000 0.409 166 T N -0.073 114.469 114.554 -0.020 0.000 2.708 166 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 166 T C 1.917 176.502 174.700 -0.191 0.000 1.037 166 T CA 2.029 64.075 62.100 -0.091 0.000 1.146 166 T CB -0.412 68.390 68.868 -0.110 0.000 0.865 166 T HN 0.363 nan 8.240 nan 0.000 0.435 167 T N 2.181 116.590 114.554 -0.241 0.000 2.684 167 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 167 T C 1.983 176.574 174.700 -0.183 0.000 1.036 167 T CA 1.034 62.981 62.100 -0.255 0.000 1.148 167 T CB -0.428 68.274 68.868 -0.277 0.000 0.863 167 T HN 0.325 nan 8.240 nan 0.000 0.436 168 I N 0.504 120.993 120.570 -0.135 0.000 2.315 168 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 168 I C 2.050 178.053 176.117 -0.190 0.000 1.117 168 I CA 0.769 61.973 61.300 -0.160 0.000 1.404 168 I CB -0.250 37.656 38.000 -0.158 0.000 1.071 168 I HN 0.194 nan 8.210 nan 0.000 0.419 169 I N 0.462 120.937 120.570 -0.159 0.000 2.333 169 I HA -0.187 3.983 4.170 -0.000 0.000 0.246 169 I C 2.060 178.099 176.117 -0.130 0.000 1.106 169 I CA 1.569 62.782 61.300 -0.145 0.000 1.411 169 I CB -1.287 36.654 38.000 -0.098 0.000 1.082 169 I HN 0.270 nan 8.210 nan 0.000 0.420 170 N N 0.133 118.755 118.700 -0.129 0.000 2.356 170 N HA 0.082 4.822 4.740 -0.000 0.000 0.178 170 N C 1.156 176.586 175.510 -0.133 0.000 1.075 170 N CA 0.426 53.404 53.050 -0.120 0.000 0.889 170 N CB 0.228 38.646 38.487 -0.114 0.000 0.999 170 N HN 0.161 nan 8.380 nan 0.000 0.464 171 M N 0.042 119.546 119.600 -0.159 0.000 2.576 171 M HA 0.215 4.695 4.480 -0.000 0.000 0.322 171 M C -0.482 175.719 176.300 -0.165 0.000 1.184 171 M CA -0.163 55.039 55.300 -0.164 0.000 0.967 171 M CB 0.667 33.150 32.600 -0.195 0.000 1.372 171 M HN -0.150 nan 8.290 nan 0.000 0.509 172 K N 1.145 121.454 120.400 -0.151 0.000 2.098 172 K HA 0.453 4.773 4.320 -0.000 0.000 0.257 172 K C -2.433 174.092 176.600 -0.124 0.000 0.999 172 K CA -1.722 54.477 56.287 -0.146 0.000 0.924 172 K CB 0.093 32.511 32.500 -0.138 0.000 1.028 172 K HN -0.141 nan 8.250 nan 0.000 0.466 173 P HA -0.015 nan 4.420 nan 0.000 0.267 173 P C -2.101 175.146 177.300 -0.087 0.000 1.200 173 P CA -0.842 62.200 63.100 -0.097 0.000 0.772 173 P CB 0.098 31.747 31.700 -0.084 0.000 0.855 174 P HA -0.219 nan 4.420 nan 0.000 0.216 174 P C 0.983 178.242 177.300 -0.069 0.000 1.150 174 P CA 1.839 64.894 63.100 -0.075 0.000 0.843 174 P CB -0.192 31.463 31.700 -0.075 0.000 0.787 175 A N -1.797 120.976 122.820 -0.078 0.000 2.169 175 A HA 0.061 4.381 4.320 -0.000 0.000 0.212 175 A C 1.252 178.812 177.584 -0.040 0.000 1.153 175 A CA 0.075 52.074 52.037 -0.063 0.000 0.756 175 A CB -0.888 18.062 19.000 -0.083 0.000 0.813 175 A HN 0.167 nan 8.150 nan 0.000 0.471 176 M N 2.133 121.706 119.600 -0.046 0.000 2.146 176 M HA 0.273 4.753 4.480 -0.000 0.000 0.352 176 M C 0.422 176.699 176.300 -0.038 0.000 1.343 176 M CA -0.223 55.057 55.300 -0.033 0.000 1.115 176 M CB 0.664 33.237 32.600 -0.044 0.000 1.657 176 M HN 0.414 nan 8.290 nan 0.000 0.471 177 S N 3.395 119.091 115.700 -0.006 0.000 2.681 177 S HA 0.163 4.633 4.470 -0.000 0.000 0.270 177 S C 0.611 175.160 174.600 -0.084 0.000 1.209 177 S CA -0.501 57.685 58.200 -0.024 0.000 0.988 177 S CB 1.341 64.579 63.200 0.063 0.000 1.006 177 S HN 0.821 nan 8.310 nan 0.000 0.558 178 Q N -0.459 119.201 119.800 -0.233 0.000 2.291 178 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 178 Q C 0.481 176.442 176.000 -0.066 0.000 0.976 178 Q CA 1.572 57.159 55.803 -0.359 0.000 0.875 178 Q CB -0.561 27.848 28.738 -0.547 0.000 0.927 178 Q HN 0.838 nan 8.270 nan 0.000 0.450 179 Y N -0.782 119.751 120.300 0.388 0.000 2.470 179 Y HA 0.173 4.723 4.550 -0.000 0.000 0.302 179 Y C 0.787 176.868 175.900 0.301 0.000 1.194 179 Y CA 0.242 58.661 58.100 0.531 0.000 1.271 179 Y CB 0.173 38.853 38.460 0.367 0.000 1.092 179 Y HN 0.114 nan 8.280 nan 0.000 0.513 180 Q N -0.552 119.409 119.800 0.268 0.000 2.118 180 Q HA 0.121 4.461 4.340 -0.000 0.000 0.219 180 Q C 0.260 176.338 176.000 0.131 0.000 0.794 180 Q CA -0.149 55.716 55.803 0.104 0.000 1.035 180 Q CB 0.876 29.648 28.738 0.055 0.000 1.177 180 Q HN 0.281 nan 8.270 nan 0.000 0.478 181 T N -2.110 112.587 114.554 0.239 0.000 2.907 181 T HA 0.592 4.942 4.350 -0.000 0.000 0.284 181 T C -2.551 172.407 174.700 0.430 0.000 1.004 181 T CA -2.202 60.006 62.100 0.180 0.000 1.063 181 T CB 1.514 70.334 68.868 -0.081 0.000 0.992 181 T HN -0.227 nan 8.240 nan 0.000 0.483 182 P HA 0.181 nan 4.420 nan 0.000 0.270 182 P C 1.003 178.714 177.300 0.684 0.000 1.223 182 P CA -0.478 62.957 63.100 0.558 0.000 0.785 182 P CB 0.440 32.500 31.700 0.601 0.000 0.923 183 L N 0.480 122.138 121.223 0.725 0.000 2.131 183 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 183 L C 2.127 179.346 176.870 0.581 0.000 1.092 183 L CA 1.294 56.497 54.840 0.605 0.000 0.759 183 L CB -0.610 41.711 42.059 0.437 0.000 0.903 183 L HN 0.382 nan 8.230 nan 0.000 0.435 184 F N 0.426 120.685 119.950 0.515 0.000 2.134 184 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 184 F C 2.228 178.098 175.800 0.117 0.000 1.097 184 F CA 1.345 59.429 58.000 0.140 0.000 1.264 184 F CB -0.295 38.537 39.000 -0.281 0.000 1.001 184 F HN -0.253 nan 8.300 nan 0.000 0.479 185 V N -0.996 118.958 119.914 0.067 0.000 2.343 185 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 185 V C 2.119 178.144 176.094 -0.115 0.000 1.051 185 V CA 2.053 64.292 62.300 -0.102 0.000 1.036 185 V CB -1.080 30.736 31.823 -0.012 0.000 0.654 185 V HN 0.496 nan 8.190 nan 0.000 0.451 186 W N 0.801 122.088 121.300 -0.022 0.000 2.358 186 W HA -0.222 4.438 4.660 -0.000 0.000 0.303 186 W C 3.036 179.505 176.519 -0.082 0.000 1.208 186 W CA 1.931 59.261 57.345 -0.025 0.000 1.274 186 W CB -0.438 29.033 29.460 0.020 0.000 1.138 186 W HN 0.363 nan 8.180 nan 0.000 0.515 187 S N -0.423 115.364 115.700 0.146 0.000 2.382 187 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 187 S C 1.689 176.185 174.600 -0.173 0.000 1.027 187 S CA 1.620 59.829 58.200 0.016 0.000 0.991 187 S CB -0.990 62.234 63.200 0.041 0.000 0.823 187 S HN 0.062 nan 8.310 nan 0.000 0.469 188 V N 1.961 121.633 119.914 -0.403 0.000 2.379 188 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 188 V C 2.610 178.530 176.094 -0.290 0.000 1.044 188 V CA 2.013 64.010 62.300 -0.506 0.000 1.036 188 V CB -0.772 30.572 31.823 -0.798 0.000 0.664 188 V HN 0.633 nan 8.190 nan 0.000 0.453 189 M N -0.128 119.370 119.600 -0.170 0.000 2.086 189 M HA -0.169 4.310 4.480 -0.000 0.000 0.261 189 M C 2.038 178.346 176.300 0.013 0.000 1.067 189 M CA 2.140 57.398 55.300 -0.069 0.000 1.116 189 M CB -0.302 32.242 32.600 -0.094 0.000 1.348 189 M HN 0.236 nan 8.290 nan 0.000 0.407 190 I N -0.371 120.240 120.570 0.069 0.000 2.226 190 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 190 I C 2.140 178.294 176.117 0.061 0.000 1.100 190 I CA 1.527 62.892 61.300 0.109 0.000 1.374 190 I CB -0.788 37.303 38.000 0.150 0.000 1.057 190 I HN 0.363 nan 8.210 nan 0.000 0.413 191 T N 0.846 115.395 114.554 -0.008 0.000 2.684 191 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 191 T C 2.084 176.779 174.700 -0.009 0.000 1.036 191 T CA 1.567 63.645 62.100 -0.038 0.000 1.148 191 T CB -0.340 68.455 68.868 -0.122 0.000 0.863 191 T HN 0.490 nan 8.240 nan 0.000 0.436 192 A N 0.896 123.703 122.820 -0.021 0.000 1.908 192 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 192 A C 2.588 180.227 177.584 0.091 0.000 1.181 192 A CA 1.464 53.526 52.037 0.042 0.000 0.627 192 A CB -1.015 18.024 19.000 0.066 0.000 0.818 192 A HN 0.368 nan 8.150 nan 0.000 0.445 193 V N 0.371 120.343 119.914 0.098 0.000 2.343 193 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 193 V C 2.535 178.744 176.094 0.193 0.000 1.051 193 V CA 1.848 64.226 62.300 0.131 0.000 1.036 193 V CB -0.751 31.151 31.823 0.133 0.000 0.654 193 V HN 0.570 nan 8.190 nan 0.000 0.451 194 L N -0.852 120.493 121.223 0.204 0.000 2.083 194 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 194 L C 2.419 179.417 176.870 0.212 0.000 1.083 194 L CA 1.459 56.458 54.840 0.265 0.000 0.752 194 L CB -0.625 41.485 42.059 0.084 0.000 0.899 194 L HN 0.325 nan 8.230 nan 0.000 0.433 195 L N -0.554 120.755 121.223 0.144 0.000 2.056 195 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 195 L C 2.587 179.563 176.870 0.176 0.000 1.078 195 L CA 0.805 55.736 54.840 0.152 0.000 0.749 195 L CB -0.394 41.736 42.059 0.119 0.000 0.901 195 L HN 0.207 nan 8.230 nan 0.000 0.433 196 L N -0.314 121.005 121.223 0.159 0.000 2.042 196 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 196 L C 2.226 179.187 176.870 0.153 0.000 1.076 196 L CA 1.850 56.774 54.840 0.139 0.000 0.749 196 L CB -0.230 41.899 42.059 0.117 0.000 0.893 196 L HN 0.127 nan 8.230 nan 0.000 0.432 197 L N -1.594 119.751 121.223 0.203 0.000 2.209 197 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 197 L C 2.535 179.607 176.870 0.337 0.000 1.094 197 L CA 0.974 55.946 54.840 0.219 0.000 0.790 197 L CB -0.628 41.505 42.059 0.123 0.000 0.932 197 L HN 0.418 nan 8.230 nan 0.000 0.447 198 S N -0.141 115.792 115.700 0.388 0.000 2.404 198 S HA -0.029 4.441 4.470 -0.000 0.000 0.223 198 S C 1.972 176.791 174.600 0.365 0.000 1.040 198 S CA 0.260 58.691 58.200 0.384 0.000 0.957 198 S CB -0.601 62.726 63.200 0.212 0.000 0.826 198 S HN 0.267 nan 8.310 nan 0.000 0.491 199 L N 1.797 123.192 121.223 0.287 0.000 2.079 199 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 199 L C -0.794 176.081 176.870 0.008 0.000 1.081 199 L CA 1.241 56.134 54.840 0.089 0.000 0.752 199 L CB -1.343 40.770 42.059 0.089 0.000 0.896 199 L HN 0.306 nan 8.230 nan 0.000 0.433 200 P HA -0.094 nan 4.420 nan 0.000 0.221 200 P C 1.796 179.104 177.300 0.013 0.000 1.150 200 P CA 0.872 63.993 63.100 0.035 0.000 0.800 200 P CB 0.160 31.891 31.700 0.051 0.000 0.787 201 V N -0.459 119.489 119.914 0.055 0.000 2.379 201 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 201 V C 2.302 178.358 176.094 -0.062 0.000 1.044 201 V CA 1.296 63.609 62.300 0.022 0.000 1.036 201 V CB -1.146 30.766 31.823 0.149 0.000 0.664 201 V HN 0.065 nan 8.190 nan 0.000 0.453 202 L N 1.197 122.339 121.223 -0.136 0.000 2.017 202 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 202 L C 2.479 179.208 176.870 -0.234 0.000 1.073 202 L CA 2.376 57.013 54.840 -0.339 0.000 0.745 202 L CB -0.931 40.618 42.059 -0.850 0.000 0.894 202 L HN 0.209 nan 8.230 nan 0.000 0.432 203 A N -0.373 122.354 122.820 -0.155 0.000 1.908 203 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 203 A C 2.462 180.054 177.584 0.015 0.000 1.181 203 A CA 2.066 54.088 52.037 -0.025 0.000 0.627 203 A CB -1.243 17.781 19.000 0.041 0.000 0.818 203 A HN 0.616 nan 8.150 nan 0.000 0.445 204 A N -0.577 122.224 122.820 -0.032 0.000 1.877 204 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 204 A C 2.455 180.006 177.584 -0.056 0.000 1.186 204 A CA 1.973 53.981 52.037 -0.048 0.000 0.620 204 A CB -1.446 17.509 19.000 -0.075 0.000 0.822 204 A HN 0.753 nan 8.150 nan 0.000 0.443 205 G N 0.719 109.482 108.800 -0.062 0.000 2.418 205 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 205 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 205 G C 1.515 176.489 174.900 0.124 0.000 1.158 205 G CA 1.255 46.352 45.100 -0.004 0.000 0.771 205 G HN 0.853 nan 8.290 nan 0.000 0.545 206 I N -1.807 118.780 120.570 0.029 0.000 2.761 206 I HA 0.044 4.214 4.170 -0.000 0.000 0.261 206 I C 2.276 178.414 176.117 0.034 0.000 1.198 206 I CA 1.412 62.735 61.300 0.038 0.000 1.482 206 I CB -0.538 37.357 38.000 -0.175 0.000 1.100 206 I HN -0.085 nan 8.210 nan 0.000 0.445 207 T N 1.467 116.069 114.554 0.081 0.000 2.857 207 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 207 T C 1.907 176.646 174.700 0.065 0.000 1.048 207 T CA 1.631 63.807 62.100 0.128 0.000 1.139 207 T CB -0.180 68.764 68.868 0.128 0.000 0.874 207 T HN 0.324 nan 8.240 nan 0.000 0.455 208 M N 0.375 119.970 119.600 -0.008 0.000 2.175 208 M HA 0.000 4.480 4.480 -0.000 0.000 0.264 208 M C 2.183 178.586 176.300 0.172 0.000 1.063 208 M CA 1.091 56.305 55.300 -0.144 0.000 1.119 208 M CB -0.366 31.862 32.600 -0.620 0.000 1.377 208 M HN 0.163 nan 8.290 nan 0.000 0.415 209 L N 0.433 121.877 121.223 0.369 0.000 2.093 209 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 209 L C 2.115 179.068 176.870 0.139 0.000 1.085 209 L CA 1.522 56.566 54.840 0.341 0.000 0.755 209 L CB -0.681 41.507 42.059 0.215 0.000 0.904 209 L HN 0.207 nan 8.230 nan 0.000 0.435 210 L N -0.662 120.605 121.223 0.073 0.000 2.046 210 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 210 L C 2.552 179.459 176.870 0.062 0.000 1.077 210 L CA 2.465 57.311 54.840 0.009 0.000 0.747 210 L CB -0.933 41.113 42.059 -0.022 0.000 0.896 210 L HN 0.596 nan 8.230 nan 0.000 0.432 211 T N -4.852 109.767 114.554 0.109 0.000 2.904 211 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 211 T C 1.621 176.383 174.700 0.104 0.000 1.059 211 T CA 1.111 63.285 62.100 0.122 0.000 1.137 211 T CB -0.560 68.417 68.868 0.181 0.000 0.879 211 T HN 0.262 nan 8.240 nan 0.000 0.467 212 D N 1.297 121.773 120.400 0.126 0.000 2.178 212 D HA 0.038 4.678 4.640 -0.000 0.000 0.202 212 D C 2.453 178.791 176.300 0.064 0.000 0.974 212 D CA 0.794 54.845 54.000 0.084 0.000 0.841 212 D CB -0.135 40.739 40.800 0.122 0.000 0.953 212 D HN 0.429 nan 8.370 nan 0.000 0.478 213 R N -0.280 120.260 120.500 0.066 0.000 2.119 213 R HA 0.143 4.483 4.340 -0.000 0.000 0.222 213 R C 1.162 177.487 176.300 0.042 0.000 1.088 213 R CA 0.756 56.884 56.100 0.047 0.000 0.984 213 R CB 0.186 30.504 30.300 0.030 0.000 0.884 213 R HN 0.181 nan 8.270 nan 0.000 0.447 214 N N -0.882 117.846 118.700 0.047 0.000 2.211 214 N HA 0.111 4.851 4.740 -0.000 0.000 0.216 214 N C 0.738 176.275 175.510 0.045 0.000 1.240 214 N CA 0.238 53.317 53.050 0.049 0.000 0.895 214 N CB 1.128 39.654 38.487 0.064 0.000 1.102 214 N HN 0.092 nan 8.380 nan 0.000 0.498 215 L N 0.926 122.174 121.223 0.043 0.000 2.959 215 L HA 0.279 4.619 4.340 -0.000 0.000 0.259 215 L C -0.185 176.689 176.870 0.006 0.000 1.185 215 L CA -0.008 54.850 54.840 0.031 0.000 0.998 215 L CB 0.025 42.110 42.059 0.044 0.000 1.337 215 L HN -0.032 nan 8.230 nan 0.000 0.555 216 N N 0.771 119.472 118.700 0.001 0.000 2.747 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 216 N C 0.496 175.966 175.510 -0.066 0.000 1.107 216 N CA 1.325 54.361 53.050 -0.023 0.000 0.707 216 N CB -1.344 37.130 38.487 -0.020 0.000 1.054 216 N HN 0.542 nan 8.380 nan 0.000 0.555 217 T N -2.635 111.871 114.554 -0.081 0.000 2.816 217 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 217 T C 1.123 175.694 174.700 -0.216 0.000 0.993 217 T CA 0.199 62.169 62.100 -0.217 0.000 0.994 217 T CB 1.727 70.448 68.868 -0.244 0.000 1.025 217 T HN 0.237 nan 8.240 nan 0.000 0.529 218 T N -1.380 112.955 114.554 -0.365 0.000 3.697 218 T HA 0.328 4.678 4.350 -0.000 0.000 0.260 218 T C 0.608 175.137 174.700 -0.285 0.000 0.998 218 T CA -0.676 61.285 62.100 -0.233 0.000 1.128 218 T CB -0.950 67.828 68.868 -0.151 0.000 1.082 218 T HN 0.479 nan 8.240 nan 0.000 0.541 219 F N 0.794 120.532 119.950 -0.353 0.000 2.126 219 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 219 F C 1.214 176.732 175.800 -0.471 0.000 1.096 219 F CA 1.166 58.827 58.000 -0.565 0.000 1.255 219 F CB -0.272 38.065 39.000 -1.106 0.000 0.997 219 F HN 0.362 nan 8.300 nan 0.000 0.479 220 F N -1.456 118.628 119.950 0.222 0.000 2.668 220 F HA 0.229 4.756 4.527 -0.000 0.000 0.301 220 F C 0.016 175.858 175.800 0.070 0.000 1.106 220 F CA -0.913 57.167 58.000 0.133 0.000 1.289 220 F CB -0.308 38.759 39.000 0.110 0.000 1.006 220 F HN -0.263 nan 8.300 nan 0.000 0.535 221 D N 1.547 122.028 120.400 0.135 0.000 2.392 221 D HA 0.270 4.910 4.640 -0.000 0.000 0.228 221 D C -2.009 174.323 176.300 0.053 0.000 1.074 221 D CA -2.453 51.596 54.000 0.081 0.000 0.838 221 D CB 2.221 43.042 40.800 0.036 0.000 1.067 221 D HN -0.094 nan 8.370 nan 0.000 0.511 222 P HA -0.103 nan 4.420 nan 0.000 0.218 222 P C 1.040 178.355 177.300 0.025 0.000 1.148 222 P CA 1.053 64.181 63.100 0.047 0.000 0.822 222 P CB 0.247 31.977 31.700 0.051 0.000 0.784 223 A N -0.152 122.680 122.820 0.020 0.000 1.978 223 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 223 A C 2.224 179.804 177.584 -0.008 0.000 1.170 223 A CA 1.958 53.999 52.037 0.007 0.000 0.636 223 A CB -1.640 17.364 19.000 0.007 0.000 0.810 223 A HN 0.332 nan 8.150 nan 0.000 0.448 224 G N -2.692 106.095 108.800 -0.020 0.000 3.337 224 G HA2 0.411 4.371 3.960 -0.000 0.000 0.246 224 G HA3 0.411 4.371 3.960 -0.000 0.000 0.246 224 G C 1.000 175.874 174.900 -0.045 0.000 1.131 224 G CA 0.465 45.537 45.100 -0.046 0.000 0.773 224 G HN 1.597 nan 8.290 nan 0.000 0.544 225 G N -1.092 107.699 108.800 -0.015 0.000 2.157 225 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.239 225 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.239 225 G C 0.807 175.715 174.900 0.014 0.000 0.982 225 G CA 0.191 45.289 45.100 -0.002 0.000 0.650 225 G HN 0.980 nan 8.290 nan 0.000 0.527 226 G N -0.887 107.921 108.800 0.014 0.000 2.588 226 G HA2 0.502 4.462 3.960 -0.000 0.000 0.278 226 G HA3 0.502 4.462 3.960 -0.000 0.000 0.278 226 G C -0.714 174.260 174.900 0.123 0.000 1.307 226 G CA 0.586 45.720 45.100 0.057 0.000 1.016 226 G HN 0.487 nan 8.290 nan 0.000 0.503 227 D N -1.570 118.959 120.400 0.216 0.000 2.891 227 D HA 0.330 4.970 4.640 -0.000 0.000 0.224 227 D C -2.080 174.398 176.300 0.297 0.000 1.321 227 D CA -1.578 52.553 54.000 0.219 0.000 0.929 227 D CB 2.211 43.129 40.800 0.197 0.000 1.551 227 D HN -0.055 nan 8.370 nan 0.000 0.574 228 P HA -0.050 nan 4.420 nan 0.000 0.218 228 P C 1.616 178.901 177.300 -0.026 0.000 1.149 228 P CA 0.419 63.565 63.100 0.076 0.000 0.817 228 P CB 0.345 32.053 31.700 0.014 0.000 0.785 229 I N -1.185 119.397 120.570 0.019 0.000 2.454 229 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 229 I C 2.131 178.273 176.117 0.042 0.000 1.156 229 I CA 1.000 62.281 61.300 -0.032 0.000 1.433 229 I CB -1.674 36.343 38.000 0.027 0.000 1.082 229 I HN 0.004 nan 8.210 nan 0.000 0.432 230 L N 0.675 122.021 121.223 0.205 0.000 2.012 230 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 230 L C 2.637 179.595 176.870 0.146 0.000 1.073 230 L CA 1.854 56.878 54.840 0.307 0.000 0.748 230 L CB -1.219 41.109 42.059 0.449 0.000 0.891 230 L HN 0.264 nan 8.230 nan 0.000 0.431 231 Y N 0.230 120.345 120.300 -0.307 0.000 2.151 231 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 231 Y C 2.551 178.260 175.900 -0.318 0.000 1.166 231 Y CA 2.303 59.969 58.100 -0.724 0.000 1.163 231 Y CB -0.261 37.376 38.460 -1.372 0.000 0.974 231 Y HN 0.412 nan 8.280 nan 0.000 0.511 232 Q N -1.084 118.584 119.800 -0.219 0.000 2.061 232 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 232 Q C 2.085 178.122 176.000 0.061 0.000 0.984 232 Q CA 1.609 57.318 55.803 -0.157 0.000 0.846 232 Q CB -0.421 28.151 28.738 -0.277 0.000 0.902 232 Q HN 0.625 nan 8.270 nan 0.000 0.421 233 H N 0.576 119.729 119.070 0.137 0.000 2.321 233 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 233 H C 2.222 177.532 175.328 -0.030 0.000 1.087 233 H CA 1.186 57.362 56.048 0.212 0.000 1.319 233 H CB -0.179 29.712 29.762 0.214 0.000 1.379 233 H HN 0.209 nan 8.280 nan 0.000 0.501 234 L N -0.665 120.557 121.223 -0.002 0.000 2.093 234 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 234 L C 2.515 179.282 176.870 -0.172 0.000 1.085 234 L CA 0.943 55.706 54.840 -0.128 0.000 0.755 234 L CB -0.508 41.449 42.059 -0.170 0.000 0.904 234 L HN 0.102 nan 8.230 nan 0.000 0.435 235 F N -0.198 119.458 119.950 -0.490 0.000 2.084 235 F HA -0.214 4.313 4.527 -0.000 0.000 0.296 235 F C 2.022 177.589 175.800 -0.388 0.000 1.111 235 F CA 1.491 59.144 58.000 -0.578 0.000 1.224 235 F CB -0.367 38.080 39.000 -0.921 0.000 0.991 235 F HN -0.041 nan 8.300 nan 0.000 0.471 236 W N -1.122 120.229 121.300 0.085 0.000 2.519 236 W HA -0.100 4.560 4.660 -0.000 0.000 0.266 236 W C 2.205 178.682 176.519 -0.069 0.000 1.253 236 W CA 0.468 57.824 57.345 0.019 0.000 1.274 236 W CB -0.588 29.029 29.460 0.262 0.000 1.114 236 W HN 0.097 nan 8.180 nan 0.000 0.596 237 F N -0.087 119.763 119.950 -0.167 0.000 2.216 237 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 237 F C 2.155 177.865 175.800 -0.150 0.000 1.085 237 F CA 1.630 59.406 58.000 -0.374 0.000 1.326 237 F CB -0.460 38.177 39.000 -0.606 0.000 1.027 237 F HN -0.032 nan 8.300 nan 0.000 0.497 238 F N 0.295 120.107 119.950 -0.229 0.000 2.220 238 F HA 0.217 4.744 4.527 -0.000 0.000 0.290 238 F C 2.273 177.850 175.800 -0.372 0.000 1.080 238 F CA 1.342 59.161 58.000 -0.302 0.000 1.318 238 F CB -1.226 37.570 39.000 -0.340 0.000 1.063 238 F HN -0.109 nan 8.300 nan 0.000 0.498 239 G N -0.432 107.802 108.800 -0.944 0.000 2.469 239 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.219 239 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.219 239 G C 1.498 176.152 174.900 -0.411 0.000 1.150 239 G CA 1.512 46.096 45.100 -0.860 0.000 0.763 239 G HN 0.562 nan 8.290 nan 0.000 0.561 240 H N 1.766 120.775 119.070 -0.102 0.000 2.299 240 H HA 0.011 4.567 4.556 -0.000 0.000 0.302 240 H C 0.255 175.508 175.328 -0.126 0.000 1.078 240 H CA 1.598 57.655 56.048 0.016 0.000 1.323 240 H CB -0.732 29.123 29.762 0.156 0.000 1.381 240 H HN 0.269 nan 8.280 nan 0.000 0.498 241 P HA -0.178 nan 4.420 nan 0.000 0.217 241 P C 1.250 178.270 177.300 -0.468 0.000 1.151 241 P CA 2.034 64.832 63.100 -0.504 0.000 0.849 241 P CB 0.026 31.215 31.700 -0.851 0.000 0.787 242 E N 0.003 119.783 120.200 -0.699 0.000 2.085 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 242 E C 1.739 178.041 176.600 -0.496 0.000 0.994 242 E CA 1.592 57.601 56.400 -0.652 0.000 0.801 242 E CB -1.241 27.861 29.700 -0.997 0.000 0.743 242 E HN 0.136 nan 8.360 nan 0.000 0.453 243 V N -1.149 118.427 119.914 -0.563 0.000 2.515 243 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 243 V C 1.903 177.630 176.094 -0.612 0.000 1.058 243 V CA 1.729 63.682 62.300 -0.577 0.000 1.064 243 V CB -1.122 30.344 31.823 -0.594 0.000 0.675 243 V HN 0.237 nan 8.190 nan 0.000 0.461 244 Y N 0.251 120.363 120.300 -0.312 0.000 2.373 244 Y HA 0.194 4.744 4.550 -0.000 0.000 0.293 244 Y C 2.341 178.106 175.900 -0.226 0.000 1.129 244 Y CA 1.340 59.319 58.100 -0.203 0.000 1.226 244 Y CB -0.430 37.961 38.460 -0.116 0.000 1.000 244 Y HN 0.197 nan 8.280 nan 0.000 0.549 245 I N -0.604 119.874 120.570 -0.155 0.000 2.394 245 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 245 I C 1.783 177.791 176.117 -0.182 0.000 1.136 245 I CA 1.207 62.417 61.300 -0.150 0.000 1.425 245 I CB -0.239 37.664 38.000 -0.162 0.000 1.079 245 I HN 0.209 nan 8.210 nan 0.000 0.425 246 L N -0.453 120.626 121.223 -0.240 0.000 2.217 246 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 246 L C 2.250 179.007 176.870 -0.189 0.000 1.107 246 L CA 0.814 55.520 54.840 -0.224 0.000 0.783 246 L CB -0.121 41.768 42.059 -0.284 0.000 0.919 246 L HN 0.234 nan 8.230 nan 0.000 0.442 247 I N -1.112 119.306 120.570 -0.252 0.000 3.339 247 I HA -0.049 4.121 4.170 -0.000 0.000 0.285 247 I C 2.022 177.811 176.117 -0.547 0.000 1.201 247 I CA 0.802 61.897 61.300 -0.342 0.000 1.434 247 I CB 0.168 37.923 38.000 -0.408 0.000 1.152 247 I HN 0.007 nan 8.210 nan 0.000 0.443 248 L N 1.286 122.251 121.223 -0.430 0.000 1.990 248 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 248 L C -0.426 176.396 176.870 -0.080 0.000 1.072 248 L CA 1.873 56.548 54.840 -0.275 0.000 0.755 248 L CB -1.959 40.044 42.059 -0.092 0.000 0.889 248 L HN 0.192 nan 8.230 nan 0.000 0.432 249 P HA -0.111 nan 4.420 nan 0.000 0.220 249 P C 1.480 178.877 177.300 0.162 0.000 1.148 249 P CA 1.541 64.667 63.100 0.043 0.000 0.803 249 P CB -0.146 31.578 31.700 0.040 0.000 0.782 250 G N -1.282 107.535 108.800 0.027 0.000 2.404 250 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 250 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 250 G C 1.459 176.352 174.900 -0.011 0.000 1.174 250 G CA 0.191 45.275 45.100 -0.026 0.000 0.780 250 G HN 0.228 nan 8.290 nan 0.000 0.537 251 F N 1.335 121.273 119.950 -0.020 0.000 2.126 251 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 251 F C 3.000 178.931 175.800 0.218 0.000 1.096 251 F CA 0.347 58.423 58.000 0.127 0.000 1.255 251 F CB -0.119 39.041 39.000 0.267 0.000 0.997 251 F HN 0.280 nan 8.300 nan 0.000 0.479 252 G N 0.179 109.247 108.800 0.446 0.000 2.421 252 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 252 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 252 G C 1.583 176.796 174.900 0.522 0.000 1.171 252 G CA 0.680 46.089 45.100 0.515 0.000 0.775 252 G HN 0.208 nan 8.290 nan 0.000 0.543 253 M N 0.104 119.907 119.600 0.338 0.000 2.175 253 M HA 0.019 4.499 4.480 -0.000 0.000 0.264 253 M C 2.476 178.814 176.300 0.063 0.000 1.063 253 M CA 0.857 56.249 55.300 0.153 0.000 1.119 253 M CB -0.294 32.278 32.600 -0.047 0.000 1.377 253 M HN 0.108 nan 8.290 nan 0.000 0.415 254 I N -0.069 120.415 120.570 -0.143 0.000 2.208 254 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 254 I C 2.464 178.432 176.117 -0.247 0.000 1.097 254 I CA 1.476 62.518 61.300 -0.430 0.000 1.363 254 I CB -1.344 36.009 38.000 -1.079 0.000 1.051 254 I HN 0.232 nan 8.210 nan 0.000 0.413 255 S N -0.455 115.308 115.700 0.104 0.000 2.370 255 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 255 S C 1.906 176.654 174.600 0.247 0.000 1.033 255 S CA 1.102 59.519 58.200 0.362 0.000 1.011 255 S CB -0.436 63.093 63.200 0.549 0.000 0.852 255 S HN 0.497 nan 8.310 nan 0.000 0.457 256 H N 0.278 119.462 119.070 0.191 0.000 2.357 256 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 256 H C 2.165 177.477 175.328 -0.026 0.000 1.082 256 H CA 1.387 57.542 56.048 0.178 0.000 1.342 256 H CB -0.167 29.798 29.762 0.337 0.000 1.389 256 H HN 0.353 nan 8.280 nan 0.000 0.511 257 I N 0.215 120.758 120.570 -0.045 0.000 2.202 257 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 257 I C 2.548 178.676 176.117 0.018 0.000 1.091 257 I CA 0.690 61.878 61.300 -0.186 0.000 1.368 257 I CB -0.181 37.690 38.000 -0.216 0.000 1.058 257 I HN 0.001 nan 8.210 nan 0.000 0.410 258 V N 0.490 120.392 119.914 -0.019 0.000 2.343 258 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 258 V C 2.514 178.637 176.094 0.049 0.000 1.051 258 V CA 2.442 64.747 62.300 0.008 0.000 1.036 258 V CB -0.851 30.953 31.823 -0.030 0.000 0.654 258 V HN 0.470 nan 8.190 nan 0.000 0.451 259 T N -1.172 113.421 114.554 0.066 0.000 2.708 259 T HA -0.235 4.115 4.350 -0.000 0.000 0.266 259 T C 1.727 176.411 174.700 -0.026 0.000 1.037 259 T CA 2.114 64.243 62.100 0.050 0.000 1.146 259 T CB -0.370 68.534 68.868 0.061 0.000 0.865 259 T HN 0.556 nan 8.240 nan 0.000 0.435 260 Y N 0.674 120.865 120.300 -0.181 0.000 2.097 260 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 260 Y C 1.799 177.427 175.900 -0.454 0.000 1.152 260 Y CA 1.439 59.321 58.100 -0.364 0.000 1.136 260 Y CB -0.334 37.775 38.460 -0.586 0.000 0.975 260 Y HN 0.265 nan 8.280 nan 0.000 0.498 261 Y N -1.099 119.201 120.300 0.001 0.000 2.529 261 Y HA 0.022 4.572 4.550 -0.000 0.000 0.290 261 Y C 2.096 177.890 175.900 -0.177 0.000 1.177 261 Y CA 0.770 58.815 58.100 -0.091 0.000 1.305 261 Y CB -0.109 38.294 38.460 -0.095 0.000 1.047 261 Y HN 0.016 nan 8.280 nan 0.000 0.522 262 S N -0.919 114.744 115.700 -0.062 0.000 2.556 262 S HA 0.200 4.670 4.470 -0.000 0.000 0.216 262 S C 1.708 176.237 174.600 -0.118 0.000 0.970 262 S CA 0.535 58.682 58.200 -0.087 0.000 0.912 262 S CB -0.090 63.085 63.200 -0.042 0.000 0.790 262 S HN 0.648 nan 8.310 nan 0.000 0.504 263 G N 1.728 110.413 108.800 -0.192 0.000 2.198 263 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 263 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 263 G C -0.095 174.705 174.900 -0.167 0.000 1.025 263 G CA 0.268 45.233 45.100 -0.224 0.000 0.769 263 G HN 0.372 nan 8.290 nan 0.000 0.507 264 K N -0.254 120.064 120.400 -0.136 0.000 2.098 264 K HA 0.560 4.880 4.320 -0.000 0.000 0.258 264 K C 1.454 178.012 176.600 -0.069 0.000 0.973 264 K CA -0.273 55.973 56.287 -0.068 0.000 0.898 264 K CB 0.936 33.433 32.500 -0.006 0.000 1.057 264 K HN 0.261 nan 8.250 nan 0.000 0.447 265 K N 1.326 121.706 120.400 -0.034 0.000 2.426 265 K HA 0.035 4.355 4.320 -0.000 0.000 0.193 265 K C -0.355 176.254 176.600 0.015 0.000 1.028 265 K CA 0.503 56.779 56.287 -0.018 0.000 1.047 265 K CB 0.170 32.663 32.500 -0.012 0.000 0.821 265 K HN 0.639 nan 8.250 nan 0.000 0.513 266 E N 0.431 120.650 120.200 0.031 0.000 2.401 266 E HA 0.309 4.659 4.350 -0.000 0.000 0.280 266 E C -3.148 173.517 176.600 0.108 0.000 1.039 266 E CA -2.157 54.281 56.400 0.063 0.000 0.814 266 E CB 1.476 31.204 29.700 0.046 0.000 1.275 266 E HN -0.161 nan 8.360 nan 0.000 0.448 267 P HA 0.166 nan 4.420 nan 0.000 0.277 267 P C -0.684 176.759 177.300 0.238 0.000 1.240 267 P CA -0.437 62.795 63.100 0.220 0.000 0.798 267 P CB 0.517 32.366 31.700 0.248 0.000 0.979 268 F N 1.737 121.759 119.950 0.120 0.000 2.529 268 F HA 0.365 4.892 4.527 -0.000 0.000 0.365 268 F C 1.336 177.185 175.800 0.081 0.000 1.102 268 F CA 1.189 59.246 58.000 0.095 0.000 1.271 268 F CB -0.033 39.022 39.000 0.092 0.000 1.120 268 F HN 0.703 nan 8.300 nan 0.000 0.579 269 G N 5.955 114.451 108.800 -0.506 0.000 2.372 269 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.297 269 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.297 269 G C 0.367 175.255 174.900 -0.019 0.000 1.005 269 G CA 0.669 45.598 45.100 -0.284 0.000 1.173 269 G HN 1.063 nan 8.290 nan 0.000 0.511 270 Y N 0.500 120.752 120.300 -0.079 0.000 2.040 270 Y HA -0.306 4.244 4.550 -0.000 0.000 0.275 270 Y C 2.686 178.566 175.900 -0.034 0.000 1.171 270 Y CA 2.768 60.862 58.100 -0.010 0.000 1.123 270 Y CB -0.107 38.367 38.460 0.023 0.000 0.963 270 Y HN 0.409 nan 8.280 nan 0.000 0.493 271 M N -0.146 119.486 119.600 0.053 0.000 2.213 271 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 271 M C 2.410 178.648 176.300 -0.102 0.000 1.062 271 M CA 1.454 56.709 55.300 -0.077 0.000 1.105 271 M CB -1.912 30.674 32.600 -0.022 0.000 1.385 271 M HN 0.520 nan 8.290 nan 0.000 0.417 272 G N -0.304 108.459 108.800 -0.062 0.000 2.422 272 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 272 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 272 G C 1.536 176.475 174.900 0.065 0.000 1.140 272 G CA 0.387 45.502 45.100 0.024 0.000 0.775 272 G HN 0.257 nan 8.290 nan 0.000 0.545 273 M N 0.456 120.004 119.600 -0.086 0.000 2.200 273 M HA 0.039 4.519 4.480 -0.000 0.000 0.265 273 M C 2.723 178.883 176.300 -0.232 0.000 1.066 273 M CA 0.670 55.879 55.300 -0.151 0.000 1.127 273 M CB -0.920 31.587 32.600 -0.156 0.000 1.379 273 M HN 0.109 nan 8.290 nan 0.000 0.420 274 V N -1.070 118.597 119.914 -0.413 0.000 2.307 274 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 274 V C 2.087 177.979 176.094 -0.337 0.000 1.045 274 V CA 1.808 63.725 62.300 -0.639 0.000 1.024 274 V CB -0.850 30.385 31.823 -0.981 0.000 0.651 274 V HN 0.629 nan 8.190 nan 0.000 0.449 275 W N 1.238 122.347 121.300 -0.318 0.000 2.335 275 W HA -0.226 4.434 4.660 -0.000 0.000 0.311 275 W C 2.424 178.868 176.519 -0.126 0.000 1.213 275 W CA 2.275 59.507 57.345 -0.189 0.000 1.274 275 W CB -0.435 28.937 29.460 -0.147 0.000 1.148 275 W HN 0.189 nan 8.180 nan 0.000 0.498 276 A N 0.510 123.236 122.820 -0.156 0.000 1.883 276 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 276 A C 2.070 179.466 177.584 -0.313 0.000 1.186 276 A CA 2.295 54.105 52.037 -0.378 0.000 0.624 276 A CB -0.951 17.984 19.000 -0.108 0.000 0.822 276 A HN 0.431 nan 8.150 nan 0.000 0.444 277 M N -1.158 118.342 119.600 -0.168 0.000 2.159 277 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 277 M C 2.361 178.618 176.300 -0.072 0.000 1.063 277 M CA 1.373 56.651 55.300 -0.036 0.000 1.110 277 M CB -0.465 32.161 32.600 0.043 0.000 1.374 277 M HN 0.421 nan 8.290 nan 0.000 0.411 278 M N -0.687 118.818 119.600 -0.159 0.000 2.132 278 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 278 M C 2.256 178.480 176.300 -0.126 0.000 1.065 278 M CA 1.441 56.681 55.300 -0.100 0.000 1.122 278 M CB -0.717 31.811 32.600 -0.120 0.000 1.365 278 M HN 0.208 nan 8.290 nan 0.000 0.411 279 S N 1.057 116.541 115.700 -0.360 0.000 2.368 279 S HA -0.057 4.413 4.470 -0.000 0.000 0.225 279 S C 1.877 176.383 174.600 -0.157 0.000 1.030 279 S CA 1.094 59.092 58.200 -0.337 0.000 0.999 279 S CB -0.365 62.347 63.200 -0.812 0.000 0.844 279 S HN 0.358 nan 8.310 nan 0.000 0.459 280 I N 1.551 122.006 120.570 -0.191 0.000 2.286 280 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 280 I C 2.623 178.629 176.117 -0.186 0.000 1.115 280 I CA 1.127 62.324 61.300 -0.171 0.000 1.392 280 I CB -0.704 37.276 38.000 -0.035 0.000 1.065 280 I HN 0.369 nan 8.210 nan 0.000 0.418 281 G N 0.501 109.276 108.800 -0.042 0.000 2.404 281 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 281 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 281 G C 1.571 176.567 174.900 0.160 0.000 1.174 281 G CA 0.541 45.670 45.100 0.048 0.000 0.780 281 G HN 0.334 nan 8.290 nan 0.000 0.537 282 F N 1.365 121.343 119.950 0.048 0.000 2.051 282 F HA 0.020 4.547 4.527 -0.000 0.000 0.296 282 F C 2.472 178.341 175.800 0.115 0.000 1.122 282 F CA 1.318 59.385 58.000 0.112 0.000 1.201 282 F CB -0.450 38.565 39.000 0.026 0.000 0.978 282 F HN 0.033 nan 8.300 nan 0.000 0.472 283 L N 0.235 121.379 121.223 -0.131 0.000 2.127 283 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 283 L C 2.652 179.371 176.870 -0.252 0.000 1.089 283 L CA 1.207 55.906 54.840 -0.235 0.000 0.757 283 L CB -1.507 40.483 42.059 -0.114 0.000 0.899 283 L HN 0.400 nan 8.230 nan 0.000 0.434 284 G N -1.084 107.544 108.800 -0.286 0.000 2.586 284 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 284 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 284 G C 1.165 175.948 174.900 -0.195 0.000 1.128 284 G CA 0.240 45.182 45.100 -0.264 0.000 0.774 284 G HN 0.286 nan 8.290 nan 0.000 0.543 285 F N -0.047 119.809 119.950 -0.156 0.000 2.749 285 F HA 0.311 4.838 4.527 -0.000 0.000 0.300 285 F C 1.842 177.657 175.800 0.026 0.000 1.103 285 F CA -0.222 57.670 58.000 -0.179 0.000 1.342 285 F CB 0.461 39.330 39.000 -0.218 0.000 1.098 285 F HN 0.213 nan 8.300 nan 0.000 0.586 286 I N -1.818 118.855 120.570 0.171 0.000 3.762 286 I HA 0.265 4.435 4.170 -0.000 0.000 0.333 286 I C 0.334 176.592 176.117 0.235 0.000 1.566 286 I CA 0.007 61.489 61.300 0.302 0.000 1.129 286 I CB 0.158 38.222 38.000 0.106 0.000 1.218 286 I HN -0.097 nan 8.210 nan 0.000 0.456 287 V N -3.447 116.576 119.914 0.182 0.000 3.382 287 V HA 0.200 4.320 4.120 -0.000 0.000 0.296 287 V C 1.725 177.592 176.094 -0.377 0.000 1.529 287 V CA -0.106 62.187 62.300 -0.012 0.000 1.048 287 V CB -0.832 30.840 31.823 -0.253 0.000 0.878 287 V HN 0.706 nan 8.190 nan 0.000 0.442 288 W N 2.607 123.816 121.300 -0.152 0.000 2.308 288 W HA -0.118 4.542 4.660 -0.000 0.000 0.301 288 W C 1.834 178.091 176.519 -0.436 0.000 1.220 288 W CA 2.194 59.422 57.345 -0.194 0.000 1.240 288 W CB -0.972 28.555 29.460 0.112 0.000 1.142 288 W HN 0.255 nan 8.180 nan 0.000 0.521 289 A N 1.602 123.426 122.820 -1.660 0.000 2.248 289 A HA -0.176 4.144 4.320 -0.000 0.000 0.210 289 A C 1.796 178.613 177.584 -1.279 0.000 1.174 289 A CA 1.232 52.363 52.037 -1.510 0.000 0.750 289 A CB -1.876 15.834 19.000 -2.149 0.000 0.780 289 A HN 0.824 nan 8.150 nan 0.000 0.478 290 H N -3.263 115.102 119.070 -1.175 0.000 2.559 290 H HA 0.021 4.577 4.556 -0.000 0.000 0.273 290 H C 0.831 175.346 175.328 -1.356 0.000 1.000 290 H CA 0.829 55.890 56.048 -1.644 0.000 1.195 290 H CB -0.290 28.903 29.762 -0.948 0.000 1.368 290 H HN 0.657 nan 8.280 nan 0.000 0.592 291 H N 0.423 119.087 119.070 -0.678 0.000 2.551 291 H HA 0.218 4.774 4.556 -0.000 0.000 0.271 291 H C 0.502 175.489 175.328 -0.569 0.000 0.984 291 H CA 0.246 55.857 56.048 -0.729 0.000 1.164 291 H CB 0.562 29.356 29.762 -1.613 0.000 1.437 291 H HN 0.484 nan 8.280 nan 0.000 0.550 292 M N -0.431 118.859 119.600 -0.517 0.000 2.747 292 M HA 0.112 4.592 4.480 -0.000 0.000 0.402 292 M C 0.154 176.316 176.300 -0.229 0.000 1.238 292 M CA -0.200 54.906 55.300 -0.325 0.000 0.877 292 M CB 0.522 32.969 32.600 -0.256 0.000 1.424 292 M HN -0.089 nan 8.290 nan 0.000 0.511 293 F N 0.972 120.738 119.950 -0.307 0.000 2.408 293 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 293 F C 2.559 178.245 175.800 -0.191 0.000 1.090 293 F CA 1.535 59.402 58.000 -0.223 0.000 1.427 293 F CB -0.757 38.127 39.000 -0.193 0.000 1.070 293 F HN 0.287 nan 8.300 nan 0.000 0.549 294 T N -3.714 110.787 114.554 -0.089 0.000 3.054 294 T HA 0.122 4.472 4.350 -0.000 0.000 0.255 294 T C 1.639 176.332 174.700 -0.013 0.000 1.035 294 T CA 0.678 62.749 62.100 -0.048 0.000 0.941 294 T CB -0.687 68.157 68.868 -0.040 0.000 1.026 294 T HN 0.102 nan 8.240 nan 0.000 0.533 295 V N -1.005 118.893 119.914 -0.026 0.000 3.305 295 V HA 0.490 4.610 4.120 -0.000 0.000 0.269 295 V C 1.418 177.528 176.094 0.025 0.000 1.157 295 V CA 0.472 62.772 62.300 -0.001 0.000 1.157 295 V CB -1.416 30.387 31.823 -0.033 0.000 0.772 295 V HN 0.865 nan 8.190 nan 0.000 0.498 296 G N 0.133 108.954 108.800 0.034 0.000 2.526 296 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.225 296 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.225 296 G C -0.438 174.499 174.900 0.062 0.000 1.120 296 G CA 0.124 45.252 45.100 0.045 0.000 0.904 296 G HN 0.481 nan 8.290 nan 0.000 0.498 297 M N 0.324 119.968 119.600 0.074 0.000 2.409 297 M HA 0.350 4.830 4.480 -0.000 0.000 0.329 297 M C 0.150 176.504 176.300 0.091 0.000 1.180 297 M CA -0.819 54.542 55.300 0.101 0.000 1.053 297 M CB 0.657 33.337 32.600 0.132 0.000 1.586 297 M HN 0.171 nan 8.290 nan 0.000 0.461 298 D N 1.134 121.593 120.400 0.099 0.000 2.478 298 D HA -0.062 4.578 4.640 -0.000 0.000 0.234 298 D C 0.865 177.212 176.300 0.079 0.000 1.154 298 D CA 0.101 54.149 54.000 0.080 0.000 0.874 298 D CB 0.909 41.758 40.800 0.082 0.000 1.198 298 D HN 0.360 nan 8.370 nan 0.000 0.455 299 V N 2.116 122.059 119.914 0.050 0.000 2.407 299 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 299 V C 1.235 177.358 176.094 0.048 0.000 1.055 299 V CA 1.868 64.187 62.300 0.031 0.000 1.049 299 V CB -0.091 31.738 31.823 0.010 0.000 0.662 299 V HN 0.413 nan 8.190 nan 0.000 0.455 300 D N -0.466 119.970 120.400 0.060 0.000 2.144 300 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 300 D C 2.263 178.637 176.300 0.122 0.000 0.978 300 D CA 1.853 55.895 54.000 0.069 0.000 0.833 300 D CB -0.466 40.365 40.800 0.051 0.000 0.961 300 D HN 0.447 nan 8.370 nan 0.000 0.470 301 T N 0.589 115.237 114.554 0.156 0.000 2.746 301 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 301 T C 1.990 176.928 174.700 0.397 0.000 1.039 301 T CA 0.882 63.146 62.100 0.273 0.000 1.142 301 T CB 0.024 69.059 68.868 0.278 0.000 0.866 301 T HN 0.128 nan 8.240 nan 0.000 0.444 302 R N 0.681 121.341 120.500 0.267 0.000 2.096 302 R HA 0.048 4.388 4.340 -0.000 0.000 0.235 302 R C 2.754 179.120 176.300 0.109 0.000 1.127 302 R CA 1.196 57.430 56.100 0.223 0.000 0.968 302 R CB -0.366 29.937 30.300 0.004 0.000 0.861 302 R HN 0.347 nan 8.270 nan 0.000 0.440 303 A N 0.322 123.181 122.820 0.064 0.000 1.930 303 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 303 A C 1.944 179.539 177.584 0.018 0.000 1.175 303 A CA 1.085 53.130 52.037 0.013 0.000 0.627 303 A CB -0.613 18.396 19.000 0.016 0.000 0.815 303 A HN 0.476 nan 8.150 nan 0.000 0.443 304 Y N -0.566 119.723 120.300 -0.019 0.000 2.133 304 Y HA -0.179 4.371 4.550 -0.000 0.000 0.287 304 Y C 1.839 177.644 175.900 -0.159 0.000 1.134 304 Y CA 1.784 59.803 58.100 -0.134 0.000 1.133 304 Y CB -0.603 37.700 38.460 -0.262 0.000 0.987 304 Y HN 0.231 nan 8.280 nan 0.000 0.502 305 F N 0.236 120.008 119.950 -0.298 0.000 2.269 305 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 305 F C 2.487 178.224 175.800 -0.105 0.000 1.082 305 F CA 1.866 59.678 58.000 -0.312 0.000 1.360 305 F CB -0.951 38.018 39.000 -0.052 0.000 1.041 305 F HN 0.023 nan 8.300 nan 0.000 0.512 306 T N -1.060 113.588 114.554 0.156 0.000 2.737 306 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 306 T C 2.276 176.954 174.700 -0.036 0.000 1.038 306 T CA 1.757 63.914 62.100 0.095 0.000 1.144 306 T CB -0.336 68.505 68.868 -0.045 0.000 0.866 306 T HN 0.176 nan 8.240 nan 0.000 0.434 307 S N 1.523 117.144 115.700 -0.131 0.000 2.355 307 S HA -0.011 4.459 4.470 -0.000 0.000 0.222 307 S C 2.587 177.079 174.600 -0.181 0.000 1.031 307 S CA 0.978 59.094 58.200 -0.141 0.000 0.993 307 S CB -0.621 62.498 63.200 -0.135 0.000 0.859 307 S HN 0.570 nan 8.310 nan 0.000 0.453 308 A N 1.456 124.050 122.820 -0.376 0.000 1.933 308 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 308 A C 2.313 179.799 177.584 -0.163 0.000 1.175 308 A CA 2.065 53.903 52.037 -0.333 0.000 0.628 308 A CB -1.369 17.242 19.000 -0.647 0.000 0.814 308 A HN 0.483 nan 8.150 nan 0.000 0.444 309 T N 0.239 114.730 114.554 -0.106 0.000 2.788 309 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 309 T C 1.901 176.599 174.700 -0.004 0.000 1.044 309 T CA 1.696 63.798 62.100 0.003 0.000 1.139 309 T CB -0.315 68.629 68.868 0.127 0.000 0.867 309 T HN 0.462 nan 8.240 nan 0.000 0.454 310 M N 0.311 119.901 119.600 -0.016 0.000 2.229 310 M HA 0.051 4.531 4.480 -0.000 0.000 0.264 310 M C 2.178 178.486 176.300 0.013 0.000 1.063 310 M CA 1.335 56.633 55.300 -0.002 0.000 1.114 310 M CB -0.667 31.928 32.600 -0.009 0.000 1.387 310 M HN 0.226 nan 8.290 nan 0.000 0.420 311 I N 0.648 121.219 120.570 0.003 0.000 2.423 311 I HA -0.294 3.876 4.170 -0.000 0.000 0.254 311 I C 2.153 178.290 176.117 0.033 0.000 1.151 311 I CA 1.217 62.532 61.300 0.025 0.000 1.421 311 I CB -0.405 37.608 38.000 0.022 0.000 1.079 311 I HN 0.273 nan 8.210 nan 0.000 0.431 312 I N 0.848 121.428 120.570 0.016 0.000 2.423 312 I HA -0.274 3.896 4.170 -0.000 0.000 0.254 312 I C 2.715 178.875 176.117 0.072 0.000 1.151 312 I CA 1.036 62.348 61.300 0.020 0.000 1.421 312 I CB -0.483 37.528 38.000 0.018 0.000 1.079 312 I HN 0.199 nan 8.210 nan 0.000 0.431 313 A N 1.136 124.003 122.820 0.079 0.000 2.019 313 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 313 A C 2.254 179.895 177.584 0.094 0.000 1.164 313 A CA 1.229 53.320 52.037 0.089 0.000 0.644 313 A CB -0.577 18.464 19.000 0.069 0.000 0.805 313 A HN 0.385 nan 8.150 nan 0.000 0.449 314 I N 0.453 121.085 120.570 0.104 0.000 2.090 314 I HA -0.147 4.023 4.170 -0.000 0.000 0.236 314 I C -0.257 175.966 176.117 0.177 0.000 1.064 314 I CA 1.477 62.869 61.300 0.154 0.000 1.324 314 I CB -1.404 36.705 38.000 0.183 0.000 1.044 314 I HN 0.221 nan 8.210 nan 0.000 0.399 315 P HA -0.134 nan 4.420 nan 0.000 0.216 315 P C 1.555 178.851 177.300 -0.007 0.000 1.150 315 P CA 1.717 64.816 63.100 -0.002 0.000 0.837 315 P CB -0.298 31.178 31.700 -0.374 0.000 0.786 316 T N -0.345 114.221 114.554 0.019 0.000 2.788 316 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 316 T C 2.169 176.820 174.700 -0.082 0.000 1.044 316 T CA 1.732 63.842 62.100 0.016 0.000 1.139 316 T CB -1.143 67.853 68.868 0.213 0.000 0.867 316 T HN 0.206 nan 8.240 nan 0.000 0.454 317 G N 1.144 109.926 108.800 -0.031 0.000 2.418 317 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 317 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 317 G C 1.688 176.510 174.900 -0.130 0.000 1.158 317 G CA 0.749 45.765 45.100 -0.140 0.000 0.771 317 G HN 0.433 nan 8.290 nan 0.000 0.545 318 V N 0.761 120.705 119.914 0.050 0.000 2.392 318 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 318 V C 2.809 178.824 176.094 -0.133 0.000 1.059 318 V CA 2.221 64.577 62.300 0.092 0.000 1.051 318 V CB -0.362 31.592 31.823 0.219 0.000 0.658 318 V HN 0.390 nan 8.190 nan 0.000 0.455 319 K N -0.441 119.734 120.400 -0.375 0.000 2.025 319 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 319 K C 2.123 178.045 176.600 -1.131 0.000 1.049 319 K CA 1.316 57.075 56.287 -0.881 0.000 0.933 319 K CB -0.464 31.337 32.500 -1.166 0.000 0.714 319 K HN 0.323 nan 8.250 nan 0.000 0.438 320 V N 1.299 120.782 119.914 -0.718 0.000 2.255 320 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 320 V C 2.078 178.061 176.094 -0.185 0.000 1.051 320 V CA 1.897 63.999 62.300 -0.329 0.000 1.018 320 V CB -0.579 31.027 31.823 -0.361 0.000 0.641 320 V HN 0.224 nan 8.190 nan 0.000 0.445 321 F N 0.058 119.972 119.950 -0.060 0.000 2.269 321 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 321 F C 2.594 178.321 175.800 -0.122 0.000 1.082 321 F CA 1.137 59.102 58.000 -0.059 0.000 1.360 321 F CB -0.333 38.631 39.000 -0.059 0.000 1.041 321 F HN 0.077 nan 8.300 nan 0.000 0.512 322 S N -1.051 114.642 115.700 -0.012 0.000 2.406 322 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 322 S C 1.649 176.293 174.600 0.074 0.000 1.020 322 S CA 0.563 58.770 58.200 0.011 0.000 0.965 322 S CB -0.260 62.964 63.200 0.041 0.000 0.798 322 S HN 0.399 nan 8.310 nan 0.000 0.488 323 W N 1.868 123.211 121.300 0.072 0.000 2.388 323 W HA 0.151 4.811 4.660 -0.000 0.000 0.294 323 W C 1.845 178.395 176.519 0.053 0.000 1.212 323 W CA 0.160 57.545 57.345 0.067 0.000 1.271 323 W CB -1.135 28.361 29.460 0.061 0.000 1.126 323 W HN 0.299 nan 8.180 nan 0.000 0.535 324 L N 0.041 121.428 121.223 0.273 0.000 2.093 324 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 324 L C 2.516 179.421 176.870 0.058 0.000 1.085 324 L CA 1.425 56.367 54.840 0.170 0.000 0.755 324 L CB -1.271 40.900 42.059 0.187 0.000 0.904 324 L HN -0.154 nan 8.230 nan 0.000 0.435 325 A N -0.806 121.962 122.820 -0.086 0.000 2.119 325 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 325 A C 2.249 179.808 177.584 -0.042 0.000 1.153 325 A CA 1.637 53.486 52.037 -0.313 0.000 0.692 325 A CB -0.555 17.744 19.000 -1.169 0.000 0.799 325 A HN 0.357 nan 8.150 nan 0.000 0.458 326 T N 0.056 114.678 114.554 0.114 0.000 2.978 326 T HA 0.064 4.414 4.350 -0.000 0.000 0.262 326 T C 1.718 176.493 174.700 0.126 0.000 1.063 326 T CA 0.922 63.139 62.100 0.194 0.000 1.140 326 T CB -0.219 68.800 68.868 0.252 0.000 0.886 326 T HN 0.379 nan 8.240 nan 0.000 0.470 327 L N 0.205 121.493 121.223 0.108 0.000 2.109 327 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 327 L C 1.295 178.204 176.870 0.066 0.000 1.086 327 L CA 0.481 55.353 54.840 0.054 0.000 0.760 327 L CB -0.631 41.456 42.059 0.046 0.000 0.910 327 L HN 0.314 nan 8.230 nan 0.000 0.437 328 H N 0.760 119.825 119.070 -0.009 0.000 3.187 328 H HA 0.162 4.718 4.556 -0.000 0.000 0.286 328 H C 1.115 176.443 175.328 0.000 0.000 0.944 328 H CA 0.381 56.420 56.048 -0.015 0.000 1.429 328 H CB 0.140 29.875 29.762 -0.045 0.000 1.483 328 H HN 0.316 nan 8.280 nan 0.000 0.555 329 G N 2.988 111.566 108.800 -0.370 0.000 2.162 329 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 329 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 329 G C 0.669 175.482 174.900 -0.145 0.000 0.976 329 G CA 0.312 45.215 45.100 -0.328 0.000 0.655 329 G HN 1.033 nan 8.290 nan 0.000 0.533 330 G N -0.489 108.255 108.800 -0.094 0.000 2.507 330 G HA2 0.442 4.402 3.960 -0.000 0.000 0.271 330 G HA3 0.442 4.402 3.960 -0.000 0.000 0.271 330 G C 0.041 174.894 174.900 -0.078 0.000 1.189 330 G CA 0.104 45.159 45.100 -0.076 0.000 0.859 330 G HN 0.523 nan 8.290 nan 0.000 0.542 331 N N 1.290 119.943 118.700 -0.079 0.000 2.719 331 N HA 0.048 4.788 4.740 -0.000 0.000 0.243 331 N C 0.388 175.846 175.510 -0.087 0.000 1.104 331 N CA -0.654 52.357 53.050 -0.066 0.000 0.981 331 N CB -0.089 38.360 38.487 -0.063 0.000 1.290 331 N HN 0.160 nan 8.380 nan 0.000 0.513 332 I N 1.662 122.163 120.570 -0.115 0.000 2.664 332 I HA -0.042 4.128 4.170 -0.000 0.000 0.284 332 I C 0.820 176.811 176.117 -0.210 0.000 1.154 332 I CA 0.105 61.259 61.300 -0.244 0.000 1.402 332 I CB -0.423 37.310 38.000 -0.445 0.000 1.395 332 I HN 0.389 nan 8.210 nan 0.000 0.545 333 K N 7.387 127.693 120.400 -0.157 0.000 2.292 333 K HA 0.187 4.507 4.320 -0.000 0.000 0.270 333 K C -0.819 175.724 176.600 -0.094 0.000 1.062 333 K CA -0.288 55.997 56.287 -0.003 0.000 0.916 333 K CB 0.145 32.743 32.500 0.164 0.000 1.166 333 K HN 0.354 nan 8.250 nan 0.000 0.458 334 W N 4.631 125.904 121.300 -0.045 0.000 1.435 334 W HA 0.101 4.761 4.660 -0.000 0.000 0.471 334 W C 0.354 176.769 176.519 -0.174 0.000 0.590 334 W CA -0.463 56.810 57.345 -0.120 0.000 2.419 334 W CB -0.519 28.879 29.460 -0.104 0.000 1.251 334 W HN 0.545 nan 8.180 nan 0.000 0.338 335 S N -0.283 115.341 115.700 -0.126 0.000 2.600 335 S HA 0.238 4.708 4.470 -0.000 0.000 0.265 335 S C -1.427 173.015 174.600 -0.263 0.000 1.325 335 S CA -1.054 57.014 58.200 -0.221 0.000 1.002 335 S CB 1.412 64.302 63.200 -0.516 0.000 0.921 335 S HN -0.017 nan 8.310 nan 0.000 0.554 336 P HA -0.011 nan 4.420 nan 0.000 0.217 336 P C 1.564 178.806 177.300 -0.097 0.000 1.150 336 P CA 1.788 64.820 63.100 -0.113 0.000 0.832 336 P CB -0.261 31.492 31.700 0.089 0.000 0.787 337 A N -0.783 121.961 122.820 -0.127 0.000 1.933 337 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 337 A C 2.216 179.649 177.584 -0.252 0.000 1.175 337 A CA 2.095 54.079 52.037 -0.088 0.000 0.628 337 A CB -1.429 17.469 19.000 -0.170 0.000 0.814 337 A HN 0.125 nan 8.150 nan 0.000 0.444 338 M N -0.638 118.621 119.600 -0.567 0.000 2.175 338 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 338 M C 2.000 178.114 176.300 -0.309 0.000 1.063 338 M CA 1.695 56.741 55.300 -0.423 0.000 1.119 338 M CB -0.604 31.696 32.600 -0.501 0.000 1.377 338 M HN 0.409 nan 8.290 nan 0.000 0.415 339 M N -1.870 117.467 119.600 -0.438 0.000 2.159 339 M HA -0.208 4.272 4.480 -0.000 0.000 0.263 339 M C 1.859 177.698 176.300 -0.769 0.000 1.063 339 M CA 1.842 56.679 55.300 -0.771 0.000 1.110 339 M CB -0.572 31.228 32.600 -1.334 0.000 1.374 339 M HN 0.384 nan 8.290 nan 0.000 0.411 340 W N 0.067 121.127 121.300 -0.401 0.000 2.358 340 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 340 W C 2.693 179.353 176.519 0.237 0.000 1.208 340 W CA 1.142 58.505 57.345 0.029 0.000 1.274 340 W CB -0.413 29.053 29.460 0.010 0.000 1.138 340 W HN 0.210 nan 8.180 nan 0.000 0.515 341 A N 0.013 122.986 122.820 0.255 0.000 1.898 341 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 341 A C 1.925 179.639 177.584 0.216 0.000 1.181 341 A CA 1.347 53.472 52.037 0.147 0.000 0.620 341 A CB -0.946 18.020 19.000 -0.057 0.000 0.819 341 A HN 0.289 nan 8.150 nan 0.000 0.442 342 L N -0.841 120.469 121.223 0.145 0.000 2.093 342 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 342 L C 2.827 179.910 176.870 0.356 0.000 1.085 342 L CA 0.996 55.944 54.840 0.180 0.000 0.755 342 L CB -0.799 41.300 42.059 0.067 0.000 0.904 342 L HN 0.483 nan 8.230 nan 0.000 0.435 343 G N -0.187 108.910 108.800 0.495 0.000 2.418 343 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 343 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 343 G C 1.487 176.728 174.900 0.569 0.000 1.158 343 G CA 0.572 46.121 45.100 0.748 0.000 0.771 343 G HN 0.290 nan 8.290 nan 0.000 0.545 344 F N 1.627 121.872 119.950 0.491 0.000 2.069 344 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 344 F C 2.510 178.463 175.800 0.254 0.000 1.113 344 F CA 1.513 59.692 58.000 0.299 0.000 1.214 344 F CB -0.282 38.873 39.000 0.257 0.000 0.978 344 F HN 0.110 nan 8.300 nan 0.000 0.474 345 I N -0.721 120.143 120.570 0.490 0.000 2.151 345 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 345 I C 2.367 178.691 176.117 0.346 0.000 1.080 345 I CA 1.706 63.257 61.300 0.419 0.000 1.339 345 I CB -0.708 37.526 38.000 0.390 0.000 1.039 345 I HN 0.243 nan 8.210 nan 0.000 0.409 346 F N 1.604 121.670 119.950 0.194 0.000 2.098 346 F HA -0.113 4.414 4.527 -0.000 0.000 0.294 346 F C 2.221 178.081 175.800 0.099 0.000 1.107 346 F CA 1.519 59.614 58.000 0.159 0.000 1.234 346 F CB -0.442 38.679 39.000 0.201 0.000 1.002 346 F HN -0.148 nan 8.300 nan 0.000 0.472 347 L N -1.025 120.133 121.223 -0.108 0.000 2.083 347 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 347 L C 2.480 179.208 176.870 -0.237 0.000 1.083 347 L CA 1.515 56.209 54.840 -0.243 0.000 0.752 347 L CB -1.017 40.857 42.059 -0.309 0.000 0.899 347 L HN 0.222 nan 8.230 nan 0.000 0.433 348 F N 0.959 120.659 119.950 -0.416 0.000 2.134 348 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 348 F C 2.463 178.152 175.800 -0.185 0.000 1.097 348 F CA 1.966 59.728 58.000 -0.396 0.000 1.264 348 F CB -0.320 38.265 39.000 -0.693 0.000 1.001 348 F HN -0.093 nan 8.300 nan 0.000 0.479 349 T N 0.197 114.652 114.554 -0.166 0.000 2.746 349 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 349 T C 2.138 176.652 174.700 -0.310 0.000 1.039 349 T CA 1.556 63.548 62.100 -0.180 0.000 1.142 349 T CB -0.576 68.297 68.868 0.009 0.000 0.866 349 T HN 0.137 nan 8.240 nan 0.000 0.444 350 V N 1.321 120.991 119.914 -0.406 0.000 2.261 350 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 350 V C 2.864 178.732 176.094 -0.378 0.000 1.047 350 V CA 2.102 64.134 62.300 -0.447 0.000 1.015 350 V CB -1.317 30.126 31.823 -0.634 0.000 0.642 350 V HN 0.590 nan 8.190 nan 0.000 0.446 351 G N -0.269 108.323 108.800 -0.348 0.000 2.422 351 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 351 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 351 G C 1.617 176.393 174.900 -0.207 0.000 1.146 351 G CA 0.913 45.858 45.100 -0.259 0.000 0.769 351 G HN 0.596 nan 8.290 nan 0.000 0.547 352 G N 0.841 109.376 108.800 -0.442 0.000 2.422 352 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 352 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 352 G C 1.793 176.618 174.900 -0.125 0.000 1.146 352 G CA 0.665 45.567 45.100 -0.330 0.000 0.769 352 G HN 0.423 nan 8.290 nan 0.000 0.547 353 L N 1.140 122.276 121.223 -0.145 0.000 2.093 353 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 353 L C 3.302 180.142 176.870 -0.049 0.000 1.085 353 L CA 1.669 56.459 54.840 -0.084 0.000 0.755 353 L CB -0.670 41.333 42.059 -0.094 0.000 0.904 353 L HN 0.415 nan 8.230 nan 0.000 0.435 354 T N -3.723 110.807 114.554 -0.040 0.000 2.995 354 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 354 T C 1.894 176.572 174.700 -0.035 0.000 1.091 354 T CA 0.811 62.930 62.100 0.031 0.000 1.128 354 T CB -0.581 68.267 68.868 -0.034 0.000 0.891 354 T HN 0.375 nan 8.240 nan 0.000 0.492 355 G N 1.677 110.413 108.800 -0.108 0.000 2.408 355 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 355 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 355 G C 1.460 176.227 174.900 -0.220 0.000 1.150 355 G CA 0.446 45.285 45.100 -0.435 0.000 0.776 355 G HN 0.457 nan 8.290 nan 0.000 0.542 356 I N 0.926 121.439 120.570 -0.095 0.000 2.394 356 I HA -0.071 4.099 4.170 -0.000 0.000 0.251 356 I C 2.832 178.913 176.117 -0.060 0.000 1.136 356 I CA 0.630 61.893 61.300 -0.061 0.000 1.425 356 I CB -0.649 37.335 38.000 -0.026 0.000 1.079 356 I HN 0.030 nan 8.210 nan 0.000 0.425 357 V N 0.991 120.878 119.914 -0.044 0.000 2.358 357 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 357 V C 2.513 178.557 176.094 -0.084 0.000 1.047 357 V CA 1.372 63.646 62.300 -0.043 0.000 1.035 357 V CB -0.452 31.382 31.823 0.018 0.000 0.658 357 V HN 0.312 nan 8.190 nan 0.000 0.452 358 L N 0.178 121.343 121.223 -0.097 0.000 2.201 358 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 358 L C 2.650 179.478 176.870 -0.070 0.000 1.105 358 L CA 1.181 55.950 54.840 -0.117 0.000 0.775 358 L CB -0.741 41.197 42.059 -0.202 0.000 0.913 358 L HN 0.352 nan 8.230 nan 0.000 0.440 359 A N -0.321 122.446 122.820 -0.088 0.000 2.024 359 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 359 A C 1.026 178.652 177.584 0.070 0.000 1.164 359 A CA 1.003 53.048 52.037 0.013 0.000 0.643 359 A CB -0.604 18.379 19.000 -0.029 0.000 0.806 359 A HN 0.437 nan 8.150 nan 0.000 0.451 360 N N 1.286 119.959 118.700 -0.046 0.000 2.402 360 N HA 0.084 4.824 4.740 -0.000 0.000 0.259 360 N C 1.210 176.563 175.510 -0.261 0.000 1.167 360 N CA 0.697 53.666 53.050 -0.135 0.000 0.949 360 N CB 1.032 39.450 38.487 -0.115 0.000 1.212 360 N HN 0.544 nan 8.380 nan 0.000 0.493 361 S N 1.349 116.694 115.700 -0.593 0.000 2.387 361 S HA -0.198 4.272 4.470 -0.000 0.000 0.230 361 S C 1.900 176.227 174.600 -0.455 0.000 1.035 361 S CA 1.110 58.705 58.200 -1.007 0.000 1.014 361 S CB -0.115 62.187 63.200 -1.496 0.000 0.836 361 S HN 0.420 nan 8.310 nan 0.000 0.466 362 S N 2.087 117.604 115.700 -0.305 0.000 2.353 362 S HA 0.052 4.522 4.470 -0.000 0.000 0.222 362 S C 1.827 176.339 174.600 -0.146 0.000 1.035 362 S CA 1.532 59.620 58.200 -0.186 0.000 1.025 362 S CB -0.592 62.523 63.200 -0.141 0.000 0.902 362 S HN 0.459 nan 8.310 nan 0.000 0.440 363 L N 0.890 122.026 121.223 -0.145 0.000 2.109 363 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 363 L C 2.254 179.054 176.870 -0.117 0.000 1.086 363 L CA 1.218 55.980 54.840 -0.131 0.000 0.760 363 L CB -0.480 41.489 42.059 -0.149 0.000 0.910 363 L HN 0.286 nan 8.230 nan 0.000 0.437 364 D N 0.112 120.453 120.400 -0.098 0.000 2.218 364 D HA -0.203 4.437 4.640 -0.000 0.000 0.204 364 D C 2.135 178.454 176.300 0.033 0.000 0.976 364 D CA 0.796 54.793 54.000 -0.006 0.000 0.853 364 D CB 0.202 41.080 40.800 0.130 0.000 0.939 364 D HN 0.082 nan 8.370 nan 0.000 0.481 365 I N 0.283 120.840 120.570 -0.021 0.000 2.194 365 I HA -0.224 3.946 4.170 -0.000 0.000 0.246 365 I C 2.237 178.373 176.117 0.033 0.000 1.093 365 I CA 0.932 62.237 61.300 0.009 0.000 1.355 365 I CB -1.149 36.834 38.000 -0.028 0.000 1.046 365 I HN 0.077 nan 8.210 nan 0.000 0.413 366 V N 0.084 119.992 119.914 -0.009 0.000 2.788 366 V HA -0.070 4.050 4.120 -0.000 0.000 0.251 366 V C 2.276 178.356 176.094 -0.022 0.000 1.068 366 V CA 0.808 63.100 62.300 -0.013 0.000 1.090 366 V CB -0.335 31.464 31.823 -0.039 0.000 0.710 366 V HN 0.290 nan 8.190 nan 0.000 0.467 367 L N -1.121 120.075 121.223 -0.044 0.000 2.416 367 L HA 0.201 4.541 4.340 -0.000 0.000 0.216 367 L C 1.294 178.174 176.870 0.018 0.000 1.098 367 L CA 0.028 54.830 54.840 -0.064 0.000 0.840 367 L CB -0.395 41.540 42.059 -0.205 0.000 0.981 367 L HN 0.356 nan 8.230 nan 0.000 0.462 368 H N 1.339 120.401 119.070 -0.013 0.000 3.064 368 H HA -0.109 4.447 4.556 -0.000 0.000 0.329 368 H C 0.437 175.775 175.328 0.018 0.000 1.020 368 H CA 0.582 56.638 56.048 0.014 0.000 1.402 368 H CB 0.133 29.915 29.762 0.034 0.000 1.379 368 H HN 0.121 nan 8.280 nan 0.000 0.594 369 D N 2.176 122.122 120.400 -0.757 0.000 2.837 369 D HA -0.204 4.436 4.640 -0.000 0.000 0.230 369 D C -0.357 175.798 176.300 -0.241 0.000 1.152 369 D CA 1.422 55.127 54.000 -0.492 0.000 0.736 369 D CB -0.847 39.690 40.800 -0.438 0.000 1.084 369 D HN 0.758 nan 8.370 nan 0.000 0.429 370 T N -4.243 110.210 114.554 -0.168 0.000 2.910 370 T HA 0.428 4.778 4.350 -0.000 0.000 0.287 370 T C 0.985 175.618 174.700 -0.113 0.000 1.050 370 T CA -0.740 61.298 62.100 -0.104 0.000 1.011 370 T CB 0.909 69.763 68.868 -0.024 0.000 1.195 370 T HN -0.055 nan 8.240 nan 0.000 0.540 371 Y N -0.600 119.631 120.300 -0.115 0.000 2.639 371 Y HA 0.055 4.605 4.550 -0.000 0.000 0.297 371 Y C 1.927 177.744 175.900 -0.138 0.000 1.151 371 Y CA 0.639 58.659 58.100 -0.134 0.000 1.335 371 Y CB -0.409 37.947 38.460 -0.173 0.000 0.994 371 Y HN 0.813 nan 8.280 nan 0.000 0.548 372 Y N -1.038 119.207 120.300 -0.092 0.000 2.293 372 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 372 Y C 2.101 177.918 175.900 -0.138 0.000 1.137 372 Y CA 1.263 59.288 58.100 -0.125 0.000 1.202 372 Y CB -0.209 38.209 38.460 -0.069 0.000 0.990 372 Y HN -0.093 nan 8.280 nan 0.000 0.537 373 V N -1.329 118.620 119.914 0.058 0.000 2.379 373 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 373 V C 2.217 178.197 176.094 -0.191 0.000 1.044 373 V CA 1.588 63.925 62.300 0.063 0.000 1.036 373 V CB -0.648 31.243 31.823 0.114 0.000 0.664 373 V HN 0.272 nan 8.190 nan 0.000 0.453 374 V N 0.485 120.136 119.914 -0.437 0.000 2.407 374 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 374 V C 2.665 178.352 176.094 -0.678 0.000 1.055 374 V CA 1.958 63.734 62.300 -0.873 0.000 1.049 374 V CB -1.074 30.350 31.823 -0.665 0.000 0.662 374 V HN 0.552 nan 8.190 nan 0.000 0.455 375 A N -0.145 122.399 122.820 -0.460 0.000 1.897 375 A HA -0.246 4.074 4.320 -0.000 0.000 0.215 375 A C 2.112 179.461 177.584 -0.392 0.000 1.181 375 A CA 1.995 53.740 52.037 -0.485 0.000 0.620 375 A CB -0.797 17.587 19.000 -1.027 0.000 0.821 375 A HN 0.759 nan 8.150 nan 0.000 0.443 376 H N 0.264 119.062 119.070 -0.454 0.000 2.267 376 H HA -0.228 4.328 4.556 -0.000 0.000 0.297 376 H C 1.673 176.920 175.328 -0.135 0.000 1.080 376 H CA 2.532 58.428 56.048 -0.253 0.000 1.278 376 H CB -0.751 28.925 29.762 -0.144 0.000 1.365 376 H HN 0.598 nan 8.280 nan 0.000 0.489 377 F N -1.502 118.165 119.950 -0.471 0.000 2.456 377 F HA 0.086 4.612 4.527 -0.000 0.000 0.298 377 F C 1.724 177.183 175.800 -0.569 0.000 1.104 377 F CA 0.674 58.316 58.000 -0.597 0.000 1.435 377 F CB -0.588 38.190 39.000 -0.370 0.000 1.078 377 F HN 0.163 nan 8.300 nan 0.000 0.546 378 H N -1.579 117.145 119.070 -0.576 0.000 2.529 378 H HA 0.030 4.586 4.556 -0.000 0.000 0.277 378 H C 1.220 176.111 175.328 -0.729 0.000 0.999 378 H CA 1.623 57.196 56.048 -0.791 0.000 1.256 378 H CB -0.193 28.605 29.762 -1.607 0.000 1.402 378 H HN 0.318 nan 8.280 nan 0.000 0.566 379 Y N -0.395 119.621 120.300 -0.473 0.000 2.177 379 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 379 Y C 2.528 178.208 175.900 -0.367 0.000 1.117 379 Y CA 1.272 59.142 58.100 -0.384 0.000 1.114 379 Y CB -0.342 37.923 38.460 -0.324 0.000 1.017 379 Y HN 0.078 nan 8.280 nan 0.000 0.505 380 V N -1.704 118.057 119.914 -0.254 0.000 2.307 380 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 380 V C 1.979 178.011 176.094 -0.102 0.000 1.045 380 V CA 1.663 63.826 62.300 -0.229 0.000 1.024 380 V CB -1.108 30.514 31.823 -0.335 0.000 0.651 380 V HN 0.331 nan 8.190 nan 0.000 0.449 381 L N 0.823 121.929 121.223 -0.195 0.000 2.116 381 L HA 0.137 4.477 4.340 -0.000 0.000 0.200 381 L C 2.566 179.343 176.870 -0.154 0.000 1.084 381 L CA 2.206 56.941 54.840 -0.175 0.000 0.766 381 L CB -0.723 41.182 42.059 -0.256 0.000 0.930 381 L HN 0.302 nan 8.230 nan 0.000 0.453 382 S N -0.005 115.553 115.700 -0.237 0.000 2.363 382 S HA -0.229 4.241 4.470 -0.000 0.000 0.218 382 S C 1.943 176.514 174.600 -0.047 0.000 1.035 382 S CA 2.184 60.285 58.200 -0.165 0.000 1.043 382 S CB -0.530 62.528 63.200 -0.237 0.000 0.986 382 S HN 0.408 nan 8.310 nan 0.000 0.423 383 M N 1.178 120.683 119.600 -0.158 0.000 2.086 383 M HA -0.068 4.412 4.480 -0.000 0.000 0.261 383 M C 2.554 178.857 176.300 0.004 0.000 1.067 383 M CA 1.616 56.838 55.300 -0.130 0.000 1.116 383 M CB -1.129 31.150 32.600 -0.535 0.000 1.348 383 M HN 0.509 nan 8.290 nan 0.000 0.407 384 G N 0.028 108.796 108.800 -0.052 0.000 2.514 384 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 384 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 384 G C 1.605 176.782 174.900 0.461 0.000 1.198 384 G CA 1.260 46.422 45.100 0.103 0.000 0.780 384 G HN 0.553 nan 8.290 nan 0.000 0.565 385 A N -0.243 122.732 122.820 0.259 0.000 1.873 385 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 385 A C 2.627 180.349 177.584 0.230 0.000 1.186 385 A CA 1.886 54.048 52.037 0.208 0.000 0.616 385 A CB -0.712 18.323 19.000 0.059 0.000 0.823 385 A HN 0.290 nan 8.150 nan 0.000 0.442 386 V N -1.199 118.861 119.914 0.243 0.000 2.343 386 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 386 V C 2.314 178.562 176.094 0.256 0.000 1.051 386 V CA 2.044 64.481 62.300 0.227 0.000 1.036 386 V CB -0.904 31.070 31.823 0.251 0.000 0.654 386 V HN 0.608 nan 8.190 nan 0.000 0.451 387 F N 0.238 120.329 119.950 0.236 0.000 2.146 387 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 387 F C 2.457 178.399 175.800 0.238 0.000 1.096 387 F CA 1.138 59.371 58.000 0.388 0.000 1.275 387 F CB -0.434 38.964 39.000 0.663 0.000 1.008 387 F HN 0.118 nan 8.300 nan 0.000 0.480 388 A N 0.422 123.492 122.820 0.417 0.000 1.902 388 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 388 A C 2.136 179.715 177.584 -0.008 0.000 1.181 388 A CA 1.479 53.560 52.037 0.072 0.000 0.623 388 A CB -1.020 17.947 19.000 -0.056 0.000 0.818 388 A HN 0.397 nan 8.150 nan 0.000 0.443 389 I N -0.889 119.714 120.570 0.055 0.000 2.179 389 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 389 I C 2.613 178.756 176.117 0.043 0.000 1.088 389 I CA 1.188 62.551 61.300 0.104 0.000 1.357 389 I CB -0.291 37.812 38.000 0.170 0.000 1.051 389 I HN 0.256 nan 8.210 nan 0.000 0.409 390 M N 0.370 119.814 119.600 -0.259 0.000 2.086 390 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 390 M C 2.417 178.400 176.300 -0.528 0.000 1.067 390 M CA 1.868 56.781 55.300 -0.646 0.000 1.116 390 M CB -2.020 29.462 32.600 -1.863 0.000 1.348 390 M HN 0.297 nan 8.290 nan 0.000 0.407 391 G N -0.454 108.111 108.800 -0.393 0.000 2.421 391 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 391 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 391 G C 1.592 176.483 174.900 -0.015 0.000 1.171 391 G CA 1.091 46.152 45.100 -0.064 0.000 0.775 391 G HN 0.560 nan 8.290 nan 0.000 0.543 392 G N 0.127 108.905 108.800 -0.037 0.000 2.408 392 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 392 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 392 G C 1.602 176.728 174.900 0.377 0.000 1.150 392 G CA 0.832 45.943 45.100 0.019 0.000 0.776 392 G HN 0.352 nan 8.290 nan 0.000 0.542 393 F N 1.953 122.117 119.950 0.357 0.000 2.075 393 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 393 F C 2.796 178.740 175.800 0.239 0.000 1.113 393 F CA 2.078 60.355 58.000 0.462 0.000 1.218 393 F CB -0.399 38.788 39.000 0.310 0.000 0.984 393 F HN 0.064 nan 8.300 nan 0.000 0.472 394 V N -1.439 118.597 119.914 0.202 0.000 2.427 394 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 394 V C 2.406 178.521 176.094 0.035 0.000 1.051 394 V CA 2.377 64.728 62.300 0.085 0.000 1.048 394 V CB -1.533 30.408 31.823 0.197 0.000 0.666 394 V HN 0.534 nan 8.190 nan 0.000 0.456 395 H N -0.764 118.254 119.070 -0.088 0.000 2.321 395 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 395 H C 1.816 176.999 175.328 -0.241 0.000 1.087 395 H CA 2.398 58.310 56.048 -0.226 0.000 1.319 395 H CB -0.202 29.256 29.762 -0.507 0.000 1.379 395 H HN 0.563 nan 8.280 nan 0.000 0.501 396 W N -0.521 120.559 121.300 -0.367 0.000 3.211 396 W HA 0.057 4.717 4.660 -0.000 0.000 0.292 396 W C 1.519 177.313 176.519 -1.208 0.000 1.268 396 W CA -0.320 56.484 57.345 -0.901 0.000 1.702 396 W CB -0.783 28.006 29.460 -1.119 0.000 1.092 396 W HN 0.206 nan 8.180 nan 0.000 0.643 397 F N 2.881 122.387 119.950 -0.740 0.000 2.120 397 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 397 F C -0.767 174.756 175.800 -0.462 0.000 1.095 397 F CA 1.941 59.506 58.000 -0.725 0.000 1.249 397 F CB -1.362 37.203 39.000 -0.725 0.000 0.995 397 F HN -0.245 nan 8.300 nan 0.000 0.480 398 P HA -0.165 nan 4.420 nan 0.000 0.218 398 P C 1.777 178.925 177.300 -0.253 0.000 1.149 398 P CA 1.162 64.144 63.100 -0.197 0.000 0.817 398 P CB -0.093 31.650 31.700 0.072 0.000 0.785 399 L N -1.578 119.403 121.223 -0.402 0.000 2.056 399 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 399 L C 1.964 178.565 176.870 -0.448 0.000 1.078 399 L CA 1.988 56.501 54.840 -0.544 0.000 0.749 399 L CB -1.304 40.048 42.059 -1.178 0.000 0.901 399 L HN -0.162 nan 8.230 nan 0.000 0.433 400 F N -0.436 119.029 119.950 -0.809 0.000 2.206 400 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 400 F C 2.798 178.292 175.800 -0.509 0.000 1.090 400 F CA 1.024 58.436 58.000 -0.980 0.000 1.323 400 F CB -1.639 36.731 39.000 -1.051 0.000 1.028 400 F HN 0.383 nan 8.300 nan 0.000 0.492 401 S N -1.528 113.894 115.700 -0.464 0.000 2.499 401 S HA 0.412 4.882 4.470 -0.000 0.000 0.225 401 S C 1.841 176.145 174.600 -0.492 0.000 1.050 401 S CA 0.567 58.516 58.200 -0.419 0.000 0.928 401 S CB 0.311 63.026 63.200 -0.808 0.000 0.803 401 S HN 0.514 nan 8.310 nan 0.000 0.506 402 G N -0.041 108.479 108.800 -0.466 0.000 2.176 402 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.232 402 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.232 402 G C -0.262 174.380 174.900 -0.431 0.000 0.986 402 G CA 0.254 45.105 45.100 -0.416 0.000 0.643 402 G HN 0.513 nan 8.290 nan 0.000 0.522 403 Y N 0.799 120.992 120.300 -0.178 0.000 2.549 403 Y HA 0.720 5.270 4.550 -0.000 0.000 0.339 403 Y C 0.882 176.773 175.900 -0.015 0.000 1.053 403 Y CA -0.659 57.385 58.100 -0.094 0.000 1.105 403 Y CB 1.630 40.021 38.460 -0.115 0.000 1.258 403 Y HN 0.314 nan 8.280 nan 0.000 0.478 404 T N -0.337 114.351 114.554 0.224 0.000 2.943 404 T HA 0.777 5.127 4.350 -0.000 0.000 0.284 404 T C -0.382 174.398 174.700 0.133 0.000 1.015 404 T CA -0.845 61.358 62.100 0.171 0.000 1.042 404 T CB 0.874 69.800 68.868 0.097 0.000 1.055 404 T HN 0.479 nan 8.240 nan 0.000 0.500 405 L N 1.671 122.942 121.223 0.080 0.000 2.448 405 L HA 0.454 4.794 4.340 -0.000 0.000 0.258 405 L C 0.955 177.841 176.870 0.027 0.000 1.104 405 L CA -1.202 53.614 54.840 -0.040 0.000 0.800 405 L CB 0.541 42.541 42.059 -0.100 0.000 1.241 405 L HN 0.705 nan 8.230 nan 0.000 0.472 406 N N 0.554 119.288 118.700 0.056 0.000 2.420 406 N HA 0.005 4.745 4.740 -0.000 0.000 0.249 406 N C 0.032 175.639 175.510 0.161 0.000 1.033 406 N CA -0.100 53.035 53.050 0.142 0.000 0.944 406 N CB 1.220 39.886 38.487 0.298 0.000 1.113 406 N HN 0.516 nan 8.380 nan 0.000 0.502 407 D N 2.215 122.679 120.400 0.106 0.000 2.149 407 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 407 D C 1.213 177.576 176.300 0.105 0.000 0.990 407 D CA 1.613 55.671 54.000 0.097 0.000 0.839 407 D CB 0.186 41.022 40.800 0.059 0.000 0.948 407 D HN 0.569 nan 8.370 nan 0.000 0.460 408 T N -0.828 113.766 114.554 0.066 0.000 2.708 408 T HA -0.165 4.185 4.350 -0.000 0.000 0.266 408 T C 1.748 176.500 174.700 0.086 0.000 1.037 408 T CA 1.036 63.139 62.100 0.004 0.000 1.146 408 T CB -0.576 68.220 68.868 -0.121 0.000 0.865 408 T HN 0.342 nan 8.240 nan 0.000 0.435 409 W N 1.335 122.698 121.300 0.105 0.000 2.338 409 W HA -0.040 4.620 4.660 -0.000 0.000 0.304 409 W C 2.867 179.496 176.519 0.185 0.000 1.212 409 W CA 0.522 57.959 57.345 0.154 0.000 1.264 409 W CB -0.326 29.233 29.460 0.164 0.000 1.142 409 W HN 0.221 nan 8.180 nan 0.000 0.512 410 A N 0.388 123.448 122.820 0.402 0.000 1.972 410 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 410 A C 1.827 179.623 177.584 0.355 0.000 1.169 410 A CA 1.779 54.044 52.037 0.380 0.000 0.635 410 A CB -0.561 18.610 19.000 0.286 0.000 0.810 410 A HN 0.313 nan 8.150 nan 0.000 0.446 411 K N -0.551 119.985 120.400 0.226 0.000 2.103 411 K HA 0.048 4.368 4.320 -0.000 0.000 0.204 411 K C 1.726 178.440 176.600 0.190 0.000 1.052 411 K CA 1.249 57.623 56.287 0.145 0.000 0.945 411 K CB -0.287 32.247 32.500 0.057 0.000 0.722 411 K HN 0.509 nan 8.250 nan 0.000 0.443 412 I N 0.713 121.418 120.570 0.224 0.000 2.226 412 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 412 I C 2.689 178.970 176.117 0.273 0.000 1.100 412 I CA 1.274 62.709 61.300 0.225 0.000 1.374 412 I CB -0.418 37.753 38.000 0.285 0.000 1.057 412 I HN 0.340 nan 8.210 nan 0.000 0.413 413 H N 0.798 120.037 119.070 0.282 0.000 2.319 413 H HA -0.288 4.268 4.556 -0.000 0.000 0.299 413 H C 2.302 177.761 175.328 0.218 0.000 1.092 413 H CA 2.285 58.503 56.048 0.284 0.000 1.302 413 H CB -0.196 29.779 29.762 0.355 0.000 1.373 413 H HN 0.339 nan 8.280 nan 0.000 0.497 414 F N 1.553 121.374 119.950 -0.215 0.000 2.095 414 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 414 F C 2.643 178.208 175.800 -0.391 0.000 1.104 414 F CA 1.784 59.352 58.000 -0.721 0.000 1.232 414 F CB -0.835 37.598 39.000 -0.945 0.000 0.987 414 F HN 0.233 nan 8.300 nan 0.000 0.475 415 A N 1.060 123.707 122.820 -0.288 0.000 1.883 415 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 415 A C 2.325 179.813 177.584 -0.160 0.000 1.186 415 A CA 2.220 54.107 52.037 -0.249 0.000 0.624 415 A CB -1.342 17.640 19.000 -0.030 0.000 0.822 415 A HN 0.531 nan 8.150 nan 0.000 0.444 416 I N -1.569 118.962 120.570 -0.066 0.000 2.163 416 I HA -0.294 3.876 4.170 -0.000 0.000 0.243 416 I C 2.675 178.779 176.117 -0.022 0.000 1.085 416 I CA 2.035 63.337 61.300 0.002 0.000 1.347 416 I CB -0.300 37.748 38.000 0.080 0.000 1.044 416 I HN 0.405 nan 8.210 nan 0.000 0.408 417 M N 0.419 119.963 119.600 -0.094 0.000 2.117 417 M HA -0.244 4.236 4.480 -0.000 0.000 0.262 417 M C 2.080 178.389 176.300 0.016 0.000 1.065 417 M CA 1.879 57.160 55.300 -0.031 0.000 1.114 417 M CB -0.563 32.006 32.600 -0.051 0.000 1.361 417 M HN 0.173 nan 8.290 nan 0.000 0.408 418 F N -0.550 119.210 119.950 -0.317 0.000 2.134 418 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 418 F C 1.905 177.666 175.800 -0.064 0.000 1.097 418 F CA 1.720 59.604 58.000 -0.192 0.000 1.264 418 F CB -0.476 38.192 39.000 -0.554 0.000 1.001 418 F HN -0.035 nan 8.300 nan 0.000 0.479 419 V N 0.029 119.967 119.914 0.040 0.000 2.307 419 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 419 V C 2.746 178.822 176.094 -0.030 0.000 1.045 419 V CA 1.920 64.225 62.300 0.008 0.000 1.024 419 V CB -1.583 30.270 31.823 0.049 0.000 0.651 419 V HN 0.515 nan 8.190 nan 0.000 0.449 420 G N 0.622 109.422 108.800 0.001 0.000 2.491 420 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 420 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 420 G C 1.767 176.657 174.900 -0.017 0.000 1.180 420 G CA 1.778 46.884 45.100 0.010 0.000 0.774 420 G HN 0.591 nan 8.290 nan 0.000 0.562 421 V N -0.865 119.059 119.914 0.017 0.000 2.427 421 V HA -0.103 4.017 4.120 -0.000 0.000 0.248 421 V C 2.186 178.263 176.094 -0.028 0.000 1.051 421 V CA 2.108 64.449 62.300 0.068 0.000 1.048 421 V CB -0.584 31.334 31.823 0.158 0.000 0.666 421 V HN 0.272 nan 8.190 nan 0.000 0.456 422 N N 0.047 118.656 118.700 -0.152 0.000 2.270 422 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 422 N C 1.820 177.336 175.510 0.010 0.000 1.016 422 N CA 1.919 54.908 53.050 -0.101 0.000 0.870 422 N CB -0.142 38.196 38.487 -0.248 0.000 0.979 422 N HN 0.584 nan 8.380 nan 0.000 0.431 423 M N 0.725 120.304 119.600 -0.035 0.000 2.175 423 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 423 M C 1.613 177.867 176.300 -0.076 0.000 1.063 423 M CA 1.211 56.506 55.300 -0.007 0.000 1.119 423 M CB -0.037 32.559 32.600 -0.005 0.000 1.377 423 M HN -0.036 nan 8.290 nan 0.000 0.415 424 T N 0.198 114.622 114.554 -0.215 0.000 2.737 424 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 424 T C 1.161 175.470 174.700 -0.653 0.000 1.038 424 T CA 1.568 63.363 62.100 -0.509 0.000 1.144 424 T CB -0.301 68.047 68.868 -0.866 0.000 0.866 424 T HN 0.406 nan 8.240 nan 0.000 0.434 425 F N -0.621 119.276 119.950 -0.088 0.000 2.582 425 F HA 0.329 4.856 4.527 -0.000 0.000 0.290 425 F C 1.778 177.585 175.800 0.012 0.000 1.115 425 F CA -0.495 57.448 58.000 -0.094 0.000 1.445 425 F CB -0.310 38.579 39.000 -0.185 0.000 1.126 425 F HN 0.023 nan 8.300 nan 0.000 0.574 426 F N 2.703 122.737 119.950 0.139 0.000 2.102 426 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 426 F C -0.854 174.771 175.800 -0.292 0.000 1.105 426 F CA 1.126 59.165 58.000 0.066 0.000 1.239 426 F CB -1.630 37.373 39.000 0.005 0.000 0.991 426 F HN -0.149 nan 8.300 nan 0.000 0.474 427 P HA -0.166 nan 4.420 nan 0.000 0.225 427 P C 1.110 178.075 177.300 -0.560 0.000 1.148 427 P CA 1.498 64.255 63.100 -0.571 0.000 0.779 427 P CB -0.203 31.458 31.700 -0.065 0.000 0.780 428 Q N -1.805 117.743 119.800 -0.420 0.000 2.291 428 Q HA -0.182 4.158 4.340 -0.000 0.000 0.205 428 Q C 1.661 177.413 176.000 -0.414 0.000 0.970 428 Q CA 1.078 56.689 55.803 -0.320 0.000 0.876 428 Q CB -0.593 28.059 28.738 -0.143 0.000 0.935 428 Q HN 0.527 nan 8.270 nan 0.000 0.455 429 H N -0.660 118.018 119.070 -0.653 0.000 2.357 429 H HA -0.126 4.430 4.556 -0.000 0.000 0.301 429 H C 1.485 176.630 175.328 -0.304 0.000 1.082 429 H CA 1.570 57.238 56.048 -0.633 0.000 1.342 429 H CB -0.005 29.155 29.762 -1.005 0.000 1.389 429 H HN 0.181 nan 8.280 nan 0.000 0.511 430 F N 0.452 120.232 119.950 -0.284 0.000 2.102 430 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 430 F C 2.299 178.071 175.800 -0.047 0.000 1.105 430 F CA 0.929 58.770 58.000 -0.265 0.000 1.239 430 F CB -1.128 37.416 39.000 -0.760 0.000 0.991 430 F HN 0.088 nan 8.300 nan 0.000 0.474 431 L N -0.360 120.928 121.223 0.110 0.000 2.079 431 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 431 L C 2.713 179.610 176.870 0.045 0.000 1.081 431 L CA 1.505 56.390 54.840 0.075 0.000 0.752 431 L CB -1.370 40.607 42.059 -0.137 0.000 0.896 431 L HN 0.294 nan 8.230 nan 0.000 0.433 432 G N -0.200 108.656 108.800 0.094 0.000 2.394 432 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 432 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 432 G C 1.609 176.589 174.900 0.134 0.000 1.176 432 G CA 0.324 45.509 45.100 0.142 0.000 0.786 432 G HN 0.203 nan 8.290 nan 0.000 0.533 433 L N 1.617 122.950 121.223 0.182 0.000 2.079 433 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 433 L C 3.097 180.037 176.870 0.116 0.000 1.081 433 L CA 1.584 56.488 54.840 0.106 0.000 0.752 433 L CB -0.373 41.770 42.059 0.140 0.000 0.896 433 L HN 0.430 nan 8.230 nan 0.000 0.433 434 S N -0.879 114.934 115.700 0.188 0.000 2.607 434 S HA 0.131 4.601 4.470 -0.000 0.000 0.224 434 S C 1.435 176.206 174.600 0.285 0.000 0.969 434 S CA 0.405 58.753 58.200 0.247 0.000 0.927 434 S CB 0.334 63.744 63.200 0.350 0.000 0.772 434 S HN 0.580 nan 8.310 nan 0.000 0.533 435 G N 0.940 109.838 108.800 0.163 0.000 2.144 435 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 435 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 435 G C -0.115 174.754 174.900 -0.051 0.000 0.988 435 G CA 0.030 45.191 45.100 0.102 0.000 0.659 435 G HN 0.592 nan 8.290 nan 0.000 0.522 436 M N 1.637 121.034 119.600 -0.339 0.000 2.227 436 M HA 0.407 4.887 4.480 -0.000 0.000 0.349 436 M C -2.142 173.995 176.300 -0.272 0.000 1.443 436 M CA -1.434 53.500 55.300 -0.610 0.000 1.110 436 M CB 0.736 32.752 32.600 -0.973 0.000 1.773 436 M HN -0.032 nan 8.290 nan 0.000 0.463 437 P HA 0.177 nan 4.420 nan 0.000 0.272 437 P C -1.087 176.035 177.300 -0.297 0.000 1.230 437 P CA -0.049 62.750 63.100 -0.501 0.000 0.788 437 P CB 0.594 31.600 31.700 -1.157 0.000 0.949 438 R N 1.116 121.471 120.500 -0.242 0.000 2.580 438 R HA 0.409 4.749 4.340 -0.000 0.000 0.267 438 R C 0.445 176.780 176.300 0.059 0.000 1.125 438 R CA -0.603 55.371 56.100 -0.211 0.000 1.188 438 R CB 0.133 30.300 30.300 -0.223 0.000 1.155 438 R HN 0.379 nan 8.270 nan 0.000 0.586 439 R N -0.740 119.885 120.500 0.208 0.000 3.641 439 R HA -0.241 4.099 4.340 -0.000 0.000 0.286 439 R C -1.077 175.586 176.300 0.605 0.000 1.153 439 R CA 0.781 57.110 56.100 0.381 0.000 0.775 439 R CB -1.987 28.462 30.300 0.249 0.000 1.215 439 R HN 0.546 nan 8.270 nan 0.000 0.474 440 Y N -0.551 119.921 120.300 0.287 0.000 2.341 440 Y HA 0.136 4.686 4.550 -0.000 0.000 0.337 440 Y C 1.656 177.498 175.900 -0.096 0.000 1.014 440 Y CA -0.216 57.968 58.100 0.140 0.000 1.111 440 Y CB 1.634 40.181 38.460 0.145 0.000 1.194 440 Y HN 0.160 nan 8.280 nan 0.000 0.462 441 S N 0.207 115.729 115.700 -0.297 0.000 2.528 441 S HA 0.044 4.514 4.470 -0.000 0.000 0.219 441 S C -0.095 174.278 174.600 -0.377 0.000 0.985 441 S CA 0.322 58.067 58.200 -0.758 0.000 0.914 441 S CB 0.236 63.076 63.200 -0.600 0.000 0.776 441 S HN 0.690 nan 8.310 nan 0.000 0.526 442 D N -0.449 119.827 120.400 -0.207 0.000 2.599 442 D HA 0.515 5.155 4.640 -0.000 0.000 0.252 442 D C -1.703 174.561 176.300 -0.061 0.000 1.232 442 D CA -0.736 53.102 54.000 -0.270 0.000 0.819 442 D CB 1.768 42.393 40.800 -0.293 0.000 1.401 442 D HN 0.238 nan 8.370 nan 0.000 0.429 443 Y N -1.822 118.534 120.300 0.094 0.000 2.588 443 Y HA 0.756 5.306 4.550 -0.000 0.000 0.343 443 Y C -2.705 173.324 175.900 0.214 0.000 1.065 443 Y CA -2.500 55.728 58.100 0.213 0.000 1.038 443 Y CB -0.080 38.503 38.460 0.204 0.000 1.297 443 Y HN 0.037 nan 8.280 nan 0.000 0.467 444 P HA 0.076 nan 4.420 nan 0.000 0.267 444 P C 0.089 177.546 177.300 0.261 0.000 1.200 444 P CA 0.197 63.460 63.100 0.273 0.000 0.772 444 P CB 0.845 32.696 31.700 0.252 0.000 0.855 445 D N 1.896 122.357 120.400 0.101 0.000 2.203 445 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 445 D C 1.823 178.124 176.300 0.003 0.000 0.997 445 D CA 1.906 55.948 54.000 0.070 0.000 0.863 445 D CB -0.628 40.173 40.800 0.001 0.000 0.928 445 D HN 0.398 nan 8.370 nan 0.000 0.458 446 A N -0.000 122.727 122.820 -0.155 0.000 2.024 446 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 446 A C 1.420 178.820 177.584 -0.306 0.000 1.164 446 A CA 0.973 52.832 52.037 -0.296 0.000 0.643 446 A CB -0.833 17.896 19.000 -0.451 0.000 0.806 446 A HN 0.284 nan 8.150 nan 0.000 0.451 447 Y N 0.172 120.475 120.300 0.004 0.000 2.490 447 Y HA 0.046 4.596 4.550 -0.000 0.000 0.281 447 Y C 2.398 178.098 175.900 -0.334 0.000 1.174 447 Y CA 0.572 58.584 58.100 -0.147 0.000 1.295 447 Y CB -1.076 37.262 38.460 -0.204 0.000 1.062 447 Y HN 0.216 nan 8.280 nan 0.000 0.522 448 T N 0.134 114.677 114.554 -0.018 0.000 2.684 448 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 448 T C 2.085 176.697 174.700 -0.147 0.000 1.036 448 T CA 1.709 63.814 62.100 0.009 0.000 1.148 448 T CB -0.228 68.705 68.868 0.108 0.000 0.863 448 T HN 0.430 nan 8.240 nan 0.000 0.436 449 M N -0.480 118.948 119.600 -0.288 0.000 2.065 449 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 449 M C 1.966 178.095 176.300 -0.284 0.000 1.069 449 M CA 1.919 56.974 55.300 -0.409 0.000 1.110 449 M CB -0.259 31.888 32.600 -0.754 0.000 1.328 449 M HN 0.416 nan 8.290 nan 0.000 0.405 450 W N 0.390 121.659 121.300 -0.051 0.000 2.363 450 W HA -0.151 4.509 4.660 -0.000 0.000 0.296 450 W C 2.178 178.605 176.519 -0.154 0.000 1.212 450 W CA 0.182 57.498 57.345 -0.049 0.000 1.260 450 W CB -0.682 28.787 29.460 0.015 0.000 1.131 450 W HN 0.322 nan 8.180 nan 0.000 0.530 451 N N -0.082 118.567 118.700 -0.085 0.000 2.244 451 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 451 N C 1.494 176.947 175.510 -0.094 0.000 1.016 451 N CA 1.901 54.819 53.050 -0.221 0.000 0.866 451 N CB -0.473 37.686 38.487 -0.547 0.000 0.980 451 N HN 0.127 nan 8.380 nan 0.000 0.430 452 T N 1.723 116.243 114.554 -0.057 0.000 2.737 452 T HA 0.046 4.396 4.350 -0.000 0.000 0.265 452 T C 2.141 176.822 174.700 -0.033 0.000 1.038 452 T CA 0.542 62.619 62.100 -0.038 0.000 1.144 452 T CB -0.015 68.825 68.868 -0.046 0.000 0.866 452 T HN 0.161 nan 8.240 nan 0.000 0.434 453 I N 0.977 121.557 120.570 0.017 0.000 2.226 453 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 453 I C 2.810 178.929 176.117 0.003 0.000 1.100 453 I CA 0.956 62.287 61.300 0.052 0.000 1.374 453 I CB -0.413 37.701 38.000 0.190 0.000 1.057 453 I HN 0.246 nan 8.210 nan 0.000 0.413 454 S N 0.238 115.924 115.700 -0.024 0.000 2.359 454 S HA -0.196 4.274 4.470 -0.000 0.000 0.224 454 S C 2.214 176.729 174.600 -0.142 0.000 1.035 454 S CA 2.138 60.262 58.200 -0.127 0.000 1.018 454 S CB -0.164 62.930 63.200 -0.177 0.000 0.876 454 S HN 0.395 nan 8.310 nan 0.000 0.448 455 S N 0.949 116.591 115.700 -0.096 0.000 2.402 455 S HA 0.052 4.522 4.470 -0.000 0.000 0.229 455 S C 1.840 176.398 174.600 -0.069 0.000 1.021 455 S CA 1.285 59.446 58.200 -0.066 0.000 0.974 455 S CB -0.313 62.854 63.200 -0.054 0.000 0.800 455 S HN 0.523 nan 8.310 nan 0.000 0.484 456 M N 0.754 120.298 119.600 -0.093 0.000 2.132 456 M HA -0.015 4.465 4.480 -0.000 0.000 0.263 456 M C 2.499 178.797 176.300 -0.004 0.000 1.065 456 M CA 1.369 56.611 55.300 -0.097 0.000 1.122 456 M CB -0.775 31.780 32.600 -0.076 0.000 1.365 456 M HN 0.443 nan 8.290 nan 0.000 0.411 457 G N 0.186 108.970 108.800 -0.028 0.000 2.422 457 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 457 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 457 G C 1.626 176.521 174.900 -0.008 0.000 1.146 457 G CA 1.277 46.358 45.100 -0.032 0.000 0.769 457 G HN 0.560 nan 8.290 nan 0.000 0.547 458 S N -0.095 115.597 115.700 -0.013 0.000 2.399 458 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 458 S C 2.115 176.818 174.600 0.172 0.000 1.022 458 S CA 0.995 59.218 58.200 0.038 0.000 0.983 458 S CB -0.581 62.634 63.200 0.025 0.000 0.803 458 S HN 0.344 nan 8.310 nan 0.000 0.480 459 F N 1.315 121.246 119.950 -0.031 0.000 2.259 459 F HA 0.194 4.721 4.527 -0.000 0.000 0.298 459 F C 2.247 178.052 175.800 0.008 0.000 1.088 459 F CA 0.653 58.649 58.000 -0.007 0.000 1.358 459 F CB -0.162 38.835 39.000 -0.005 0.000 1.040 459 F HN 0.185 nan 8.300 nan 0.000 0.505 460 I N -0.873 119.807 120.570 0.183 0.000 2.226 460 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 460 I C 2.324 178.494 176.117 0.089 0.000 1.100 460 I CA 1.272 62.640 61.300 0.113 0.000 1.374 460 I CB -0.591 37.457 38.000 0.079 0.000 1.057 460 I HN 0.009 nan 8.210 nan 0.000 0.413 461 S N 0.887 116.636 115.700 0.081 0.000 2.402 461 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 461 S C 1.899 176.544 174.600 0.075 0.000 1.021 461 S CA 1.081 59.336 58.200 0.090 0.000 0.974 461 S CB -0.378 62.884 63.200 0.104 0.000 0.800 461 S HN 0.345 nan 8.310 nan 0.000 0.484 462 L N 2.079 123.314 121.223 0.019 0.000 2.046 462 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 462 L C 2.111 178.977 176.870 -0.007 0.000 1.077 462 L CA 1.944 56.758 54.840 -0.043 0.000 0.747 462 L CB -1.497 40.441 42.059 -0.200 0.000 0.896 462 L HN 0.160 nan 8.230 nan 0.000 0.432 463 T N 0.089 114.655 114.554 0.020 0.000 2.788 463 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 463 T C 1.917 176.678 174.700 0.102 0.000 1.044 463 T CA 1.361 63.490 62.100 0.048 0.000 1.139 463 T CB -0.542 68.367 68.868 0.069 0.000 0.867 463 T HN 0.574 nan 8.240 nan 0.000 0.454 464 A N 0.854 123.761 122.820 0.145 0.000 1.898 464 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 464 A C 2.571 180.331 177.584 0.292 0.000 1.181 464 A CA 1.182 53.381 52.037 0.270 0.000 0.620 464 A CB -0.903 18.235 19.000 0.229 0.000 0.819 464 A HN 0.359 nan 8.150 nan 0.000 0.442 465 V N 0.138 120.157 119.914 0.174 0.000 2.343 465 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 465 V C 2.644 178.760 176.094 0.038 0.000 1.051 465 V CA 2.208 64.570 62.300 0.104 0.000 1.036 465 V CB -0.736 31.121 31.823 0.056 0.000 0.654 465 V HN 0.571 nan 8.190 nan 0.000 0.451 466 M N -0.945 118.672 119.600 0.028 0.000 2.159 466 M HA -0.169 4.311 4.480 -0.000 0.000 0.263 466 M C 2.237 178.551 176.300 0.024 0.000 1.063 466 M CA 1.710 57.013 55.300 0.003 0.000 1.110 466 M CB -0.509 32.080 32.600 -0.019 0.000 1.374 466 M HN 0.336 nan 8.290 nan 0.000 0.411 467 L N 0.594 121.850 121.223 0.055 0.000 2.093 467 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 467 L C 2.456 179.337 176.870 0.020 0.000 1.085 467 L CA 1.625 56.511 54.840 0.076 0.000 0.755 467 L CB -0.537 41.617 42.059 0.159 0.000 0.904 467 L HN 0.288 nan 8.230 nan 0.000 0.435 468 M N -1.812 117.717 119.600 -0.118 0.000 2.108 468 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 468 M C 1.985 178.197 176.300 -0.147 0.000 1.066 468 M CA 1.956 57.059 55.300 -0.328 0.000 1.107 468 M CB -0.089 32.260 32.600 -0.420 0.000 1.356 468 M HN 0.150 nan 8.290 nan 0.000 0.406 469 V N 0.646 120.530 119.914 -0.050 0.000 2.343 469 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 469 V C 2.201 178.334 176.094 0.065 0.000 1.051 469 V CA 2.107 64.414 62.300 0.011 0.000 1.036 469 V CB -1.072 30.764 31.823 0.022 0.000 0.654 469 V HN 0.636 nan 8.190 nan 0.000 0.451 470 F N 0.789 120.697 119.950 -0.071 0.000 2.134 470 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 470 F C 2.076 177.867 175.800 -0.015 0.000 1.097 470 F CA 1.647 59.617 58.000 -0.050 0.000 1.264 470 F CB -0.371 38.509 39.000 -0.200 0.000 1.001 470 F HN 0.081 nan 8.300 nan 0.000 0.479 471 I N 0.234 120.535 120.570 -0.447 0.000 2.286 471 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 471 I C 2.391 178.274 176.117 -0.390 0.000 1.115 471 I CA 1.520 62.499 61.300 -0.533 0.000 1.392 471 I CB -0.472 37.377 38.000 -0.251 0.000 1.065 471 I HN 0.189 nan 8.210 nan 0.000 0.418 472 I N -0.632 119.810 120.570 -0.215 0.000 2.252 472 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 472 I C 2.430 178.566 176.117 0.032 0.000 1.102 472 I CA 1.367 62.589 61.300 -0.129 0.000 1.385 472 I CB -0.404 37.648 38.000 0.087 0.000 1.064 472 I HN 0.410 nan 8.210 nan 0.000 0.414 473 W N 2.237 123.472 121.300 -0.109 0.000 2.358 473 W HA -0.232 4.428 4.660 -0.000 0.000 0.303 473 W C 2.474 178.909 176.519 -0.139 0.000 1.208 473 W CA 1.675 58.999 57.345 -0.036 0.000 1.274 473 W CB -0.192 29.229 29.460 -0.066 0.000 1.138 473 W HN 0.046 nan 8.180 nan 0.000 0.515 474 E N 0.724 120.624 120.200 -0.500 0.000 2.085 474 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 474 E C 2.126 178.401 176.600 -0.541 0.000 0.994 474 E CA 1.757 57.714 56.400 -0.739 0.000 0.801 474 E CB -0.569 28.708 29.700 -0.705 0.000 0.743 474 E HN 0.337 nan 8.360 nan 0.000 0.453 475 A N 0.227 122.802 122.820 -0.409 0.000 1.858 475 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 475 A C 2.166 179.518 177.584 -0.388 0.000 1.190 475 A CA 1.388 53.230 52.037 -0.325 0.000 0.617 475 A CB -1.094 17.711 19.000 -0.325 0.000 0.827 475 A HN 0.327 nan 8.150 nan 0.000 0.443 476 F N -0.168 119.637 119.950 -0.241 0.000 2.293 476 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 476 F C 2.702 178.204 175.800 -0.495 0.000 1.086 476 F CA 0.644 58.456 58.000 -0.313 0.000 1.375 476 F CB 0.011 38.966 39.000 -0.074 0.000 1.045 476 F HN 0.292 nan 8.300 nan 0.000 0.516 477 A N -0.927 121.580 122.820 -0.521 0.000 1.930 477 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 477 A C 2.259 179.584 177.584 -0.432 0.000 1.176 477 A CA 1.732 53.386 52.037 -0.638 0.000 0.632 477 A CB -0.744 17.436 19.000 -1.367 0.000 0.819 477 A HN 0.254 nan 8.150 nan 0.000 0.445 478 S N -0.769 114.684 115.700 -0.413 0.000 2.425 478 S HA 0.043 4.513 4.470 -0.000 0.000 0.225 478 S C 0.409 174.860 174.600 -0.249 0.000 1.024 478 S CA 0.651 58.691 58.200 -0.266 0.000 0.951 478 S CB -0.137 62.943 63.200 -0.201 0.000 0.796 478 S HN 0.577 nan 8.310 nan 0.000 0.498 479 K N 1.097 121.246 120.400 -0.419 0.000 3.393 479 K HA -0.154 4.166 4.320 -0.000 0.000 0.272 479 K C -0.944 175.601 176.600 -0.091 0.000 1.004 479 K CA 0.251 56.225 56.287 -0.522 0.000 0.764 479 K CB -1.176 31.118 32.500 -0.345 0.000 1.373 479 K HN 0.348 nan 8.250 nan 0.000 0.458 480 R N 1.818 122.312 120.500 -0.011 0.000 2.248 480 R HA 0.110 4.450 4.340 -0.000 0.000 0.337 480 R C -0.090 176.348 176.300 0.230 0.000 1.106 480 R CA -0.230 55.926 56.100 0.093 0.000 0.959 480 R CB 0.488 30.820 30.300 0.054 0.000 1.075 480 R HN 0.256 nan 8.270 nan 0.000 0.480 481 E N 1.796 122.127 120.200 0.219 0.000 2.338 481 E HA 0.070 4.420 4.350 -0.000 0.000 0.272 481 E C -0.066 176.585 176.600 0.085 0.000 1.029 481 E CA -0.375 56.127 56.400 0.171 0.000 0.872 481 E CB 1.296 31.072 29.700 0.126 0.000 1.015 481 E HN 0.195 nan 8.360 nan 0.000 0.417 482 V N 4.627 124.568 119.914 0.045 0.000 2.740 482 V HA -0.073 4.047 4.120 -0.000 0.000 0.303 482 V C 1.080 177.192 176.094 0.031 0.000 1.054 482 V CA 0.699 63.020 62.300 0.035 0.000 1.106 482 V CB 0.614 32.457 31.823 0.033 0.000 0.957 482 V HN 0.700 nan 8.190 nan 0.000 0.486 483 L N 2.239 123.478 121.223 0.026 0.000 2.675 483 L HA 0.276 4.616 4.340 -0.000 0.000 0.178 483 L C 0.712 177.593 176.870 0.018 0.000 1.135 483 L CA 0.538 55.391 54.840 0.022 0.000 0.855 483 L CB 0.439 42.509 42.059 0.019 0.000 1.235 483 L HN 0.623 nan 8.230 nan 0.000 0.499 484 T N 0.375 114.931 114.554 0.004 0.000 2.893 484 T HA 0.631 4.981 4.350 -0.000 0.000 0.291 484 T C -0.926 173.745 174.700 -0.048 0.000 1.028 484 T CA -0.306 61.788 62.100 -0.010 0.000 0.995 484 T CB 2.902 71.762 68.868 -0.013 0.000 1.051 484 T HN -0.232 nan 8.240 nan 0.000 0.470 485 V N 2.507 122.379 119.914 -0.070 0.000 2.686 485 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 485 V C -0.290 175.725 176.094 -0.132 0.000 1.065 485 V CA -1.040 61.154 62.300 -0.178 0.000 0.894 485 V CB 2.128 33.774 31.823 -0.295 0.000 1.004 485 V HN 0.871 nan 8.190 nan 0.000 0.424 486 D N 2.791 123.110 120.400 -0.136 0.000 2.358 486 D HA 0.435 5.075 4.640 -0.000 0.000 0.244 486 D C 0.817 177.028 176.300 -0.150 0.000 1.163 486 D CA -0.036 53.882 54.000 -0.137 0.000 0.945 486 D CB 1.241 41.925 40.800 -0.192 0.000 1.152 486 D HN 0.594 nan 8.370 nan 0.000 0.451 487 L N 0.560 121.691 121.223 -0.154 0.000 4.001 487 L HA -0.303 4.037 4.340 -0.000 0.000 0.413 487 L C 1.880 178.768 176.870 0.030 0.000 1.185 487 L CA 0.573 55.340 54.840 -0.121 0.000 0.963 487 L CB -2.505 39.361 42.059 -0.322 0.000 1.976 487 L HN 0.530 nan 8.230 nan 0.000 0.939 488 T N -5.116 109.473 114.554 0.059 0.000 2.977 488 T HA -0.180 4.170 4.350 -0.000 0.000 0.271 488 T C 1.746 176.540 174.700 0.158 0.000 1.105 488 T CA 1.480 63.675 62.100 0.158 0.000 1.116 488 T CB -0.446 68.515 68.868 0.155 0.000 0.878 488 T HN 0.628 nan 8.240 nan 0.000 0.509 489 T N 0.572 115.185 114.554 0.097 0.000 2.929 489 T HA -0.087 4.263 4.350 -0.000 0.000 0.271 489 T C 1.711 176.478 174.700 0.113 0.000 1.085 489 T CA 1.431 63.587 62.100 0.093 0.000 1.125 489 T CB -0.900 68.000 68.868 0.053 0.000 0.874 489 T HN 0.652 nan 8.240 nan 0.000 0.494 490 T N -1.199 113.429 114.554 0.124 0.000 3.252 490 T HA 0.350 4.700 4.350 -0.000 0.000 0.286 490 T C 0.095 174.936 174.700 0.235 0.000 1.013 490 T CA -0.831 61.354 62.100 0.142 0.000 0.914 490 T CB -0.100 68.818 68.868 0.084 0.000 1.131 490 T HN 0.285 nan 8.240 nan 0.000 0.529 491 N N 1.386 120.275 118.700 0.314 0.000 2.716 491 N HA 0.173 4.913 4.740 -0.000 0.000 0.245 491 N C 0.417 176.219 175.510 0.487 0.000 1.495 491 N CA -0.267 53.076 53.050 0.487 0.000 0.759 491 N CB 1.706 40.586 38.487 0.655 0.000 1.261 491 N HN 0.054 nan 8.380 nan 0.000 0.515 492 L N 2.125 123.572 121.223 0.373 0.000 2.137 492 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 492 L C 2.451 179.538 176.870 0.361 0.000 1.085 492 L CA 2.047 57.092 54.840 0.342 0.000 0.760 492 L CB -0.143 42.088 42.059 0.286 0.000 0.893 492 L HN 0.432 nan 8.230 nan 0.000 0.434 493 E N -1.509 118.882 120.200 0.319 0.000 2.267 493 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 493 E C 1.766 178.414 176.600 0.080 0.000 0.998 493 E CA 1.734 58.244 56.400 0.183 0.000 0.830 493 E CB -0.961 28.769 29.700 0.049 0.000 0.751 493 E HN 0.723 nan 8.360 nan 0.000 0.491 494 W N 0.183 121.616 121.300 0.222 0.000 3.003 494 W HA 0.201 4.861 4.660 -0.000 0.000 0.257 494 W C 1.799 178.386 176.519 0.114 0.000 1.308 494 W CA -0.537 56.894 57.345 0.144 0.000 1.529 494 W CB -0.041 29.487 29.460 0.114 0.000 1.115 494 W HN 0.057 nan 8.180 nan 0.000 0.659 495 L N 1.078 122.495 121.223 0.324 0.000 2.353 495 L HA -0.083 4.257 4.340 -0.000 0.000 0.220 495 L C 1.235 178.171 176.870 0.111 0.000 1.133 495 L CA 1.581 56.548 54.840 0.211 0.000 0.798 495 L CB -0.594 41.592 42.059 0.212 0.000 0.922 495 L HN 0.016 nan 8.230 nan 0.000 0.445 496 N N 0.022 118.770 118.700 0.080 0.000 2.251 496 N HA 0.229 4.969 4.740 -0.000 0.000 0.217 496 N C 0.653 176.188 175.510 0.041 0.000 1.124 496 N CA 0.769 53.818 53.050 -0.002 0.000 0.843 496 N CB 0.477 38.903 38.487 -0.103 0.000 1.024 496 N HN 0.342 nan 8.380 nan 0.000 0.501 497 G N 0.339 109.194 108.800 0.092 0.000 2.756 497 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.678 497 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.678 497 G C -0.858 174.096 174.900 0.090 0.000 1.349 497 G CA -0.803 44.349 45.100 0.087 0.000 0.847 497 G HN 0.281 nan 8.290 nan 0.000 0.548 498 C N 2.659 121.996 119.300 0.062 0.000 2.356 498 C HA 0.687 5.147 4.460 -0.000 0.000 0.324 498 C C -1.433 173.526 174.990 -0.052 0.000 1.167 498 C CA -0.762 58.265 59.018 0.016 0.000 1.420 498 C CB 1.082 28.850 27.740 0.046 0.000 2.036 498 C HN 0.811 nan 8.230 nan 0.000 0.435 499 P HA 0.394 nan 4.420 nan 0.000 0.279 499 P C -2.653 174.694 177.300 0.079 0.000 1.252 499 P CA -1.283 61.840 63.100 0.038 0.000 0.811 499 P CB 0.578 32.331 31.700 0.089 0.000 1.035 500 P HA 0.204 nan 4.420 nan 0.000 0.274 500 P C -2.238 175.095 177.300 0.055 0.000 1.237 500 P CA -1.440 61.713 63.100 0.087 0.000 0.793 500 P CB -0.953 30.819 31.700 0.120 0.000 0.977 501 P HA -0.051 nan 4.420 nan 0.000 0.270 501 P C 0.809 178.111 177.300 0.004 0.000 1.223 501 P CA -0.020 63.096 63.100 0.027 0.000 0.785 501 P CB 0.569 32.286 31.700 0.028 0.000 0.923 502 Y N 0.964 121.172 120.300 -0.153 0.000 2.062 502 Y HA -0.247 4.303 4.550 -0.000 0.000 0.276 502 Y C 1.344 177.028 175.900 -0.361 0.000 1.189 502 Y CA 1.755 59.672 58.100 -0.306 0.000 1.130 502 Y CB -0.127 38.124 38.460 -0.348 0.000 0.959 502 Y HN 0.344 nan 8.280 nan 0.000 0.499 503 H N 0.410 119.521 119.070 0.069 0.000 2.519 503 H HA 0.292 4.848 4.556 -0.000 0.000 0.316 503 H C -0.192 175.134 175.328 -0.004 0.000 1.065 503 H CA 0.155 56.207 56.048 0.008 0.000 1.264 503 H CB 0.983 30.780 29.762 0.059 0.000 1.413 503 H HN 0.147 nan 8.280 nan 0.000 0.465 504 T N -0.611 114.019 114.554 0.125 0.000 2.912 504 T HA 0.358 4.708 4.350 -0.000 0.000 0.288 504 T C 0.130 174.901 174.700 0.119 0.000 1.030 504 T CA -0.815 61.284 62.100 -0.003 0.000 1.020 504 T CB 1.278 70.116 68.868 -0.050 0.000 1.056 504 T HN 0.459 nan 8.240 nan 0.000 0.480 505 F N -0.516 119.471 119.950 0.060 0.000 3.091 505 F HA -0.206 4.321 4.527 -0.000 0.000 0.288 505 F C 1.321 177.134 175.800 0.022 0.000 0.907 505 F CA 0.377 58.400 58.000 0.037 0.000 1.028 505 F CB -2.431 36.581 39.000 0.019 0.000 1.022 505 F HN 0.802 nan 8.300 nan 0.000 0.665 506 E N 0.369 120.630 120.200 0.102 0.000 2.110 506 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 506 E C 1.137 177.771 176.600 0.055 0.000 0.988 506 E CA 1.425 57.855 56.400 0.050 0.000 0.804 506 E CB 0.066 29.772 29.700 0.009 0.000 0.745 506 E HN 0.634 nan 8.360 nan 0.000 0.458 507 E N 1.720 121.963 120.200 0.071 0.000 2.092 507 E HA 0.151 4.501 4.350 -0.000 0.000 0.271 507 E C -2.363 174.323 176.600 0.142 0.000 0.919 507 E CA -2.620 53.827 56.400 0.078 0.000 0.760 507 E CB 0.953 30.689 29.700 0.060 0.000 1.106 507 E HN -0.150 nan 8.360 nan 0.000 0.408 508 P HA -0.029 nan 4.420 nan 0.000 0.271 508 P C -0.113 177.309 177.300 0.204 0.000 1.233 508 P CA -0.272 62.935 63.100 0.179 0.000 0.789 508 P CB 0.465 32.211 31.700 0.076 0.000 0.951 509 T N -1.329 113.361 114.554 0.227 0.000 2.856 509 T HA 0.124 4.474 4.350 -0.000 0.000 0.306 509 T C -0.391 174.417 174.700 0.179 0.000 1.062 509 T CA -0.235 61.999 62.100 0.223 0.000 1.083 509 T CB 0.053 69.035 68.868 0.190 0.000 0.984 509 T HN 0.396 nan 8.240 nan 0.000 0.542 510 Y N 1.430 121.772 120.300 0.070 0.000 2.331 510 Y HA 0.561 5.111 4.550 -0.000 0.000 0.338 510 Y C -1.295 174.629 175.900 0.039 0.000 0.976 510 Y CA -1.321 56.806 58.100 0.045 0.000 1.137 510 Y CB 0.945 39.430 38.460 0.041 0.000 1.172 510 Y HN 0.583 nan 8.280 nan 0.000 0.478 511 V N 6.738 126.469 119.914 -0.304 0.000 2.488 511 V HA 0.245 4.365 4.120 -0.000 0.000 0.293 511 V C -0.507 175.375 176.094 -0.354 0.000 1.027 511 V CA -1.249 60.942 62.300 -0.181 0.000 0.862 511 V CB 1.421 33.200 31.823 -0.074 0.000 1.008 511 V HN 0.869 nan 8.190 nan 0.000 0.428 512 N N 2.822 121.386 118.700 -0.227 0.000 2.479 512 N HA 0.188 4.928 4.740 -0.000 0.000 0.257 512 N C 0.689 176.152 175.510 -0.079 0.000 1.232 512 N CA -0.456 52.507 53.050 -0.144 0.000 0.920 512 N CB 0.935 39.455 38.487 0.055 0.000 1.105 512 N HN 0.553 nan 8.380 nan 0.000 0.444 513 L N 1.966 123.148 121.223 -0.068 0.000 2.249 513 L HA 0.160 4.500 4.340 -0.000 0.000 0.207 513 L C 0.424 177.289 176.870 -0.008 0.000 1.090 513 L CA 1.442 56.260 54.840 -0.037 0.000 0.802 513 L CB -0.546 41.490 42.059 -0.039 0.000 0.947 513 L HN 0.716 nan 8.230 nan 0.000 0.453 514 K N 0.000 120.402 120.400 0.003 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.297 56.287 0.016 0.000 0.838 514 K CB 0.000 32.512 32.500 0.020 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543