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 2jlf_1_A DATA FIRST_RESID 3 DATA SEQUENCE RAPAFPLSDI KAQMLFANNI KAQQASKRSF KEGAIETYEG LLSVDPRFLS DATA SEQUENCE FKNELSRYLT DHFPANVDEY GRVYGNGVRT NFFGMRHMNG FPMIPATWPL DATA SEQUENCE ASNLKKRADA DLADGPVSER DNLLFRAAVR LMFSDLEPVP LKIRKGSSTC DATA SEQUENCE IPYFSNDMGT KIEIAERALE KAEEAGNLML QGKFDDAYQL HQMGGAYYVV DATA SEQUENCE YRAQSTDAIT LDPKTGKFVS KDRMVADFEY AVTGGEQGSL FAASKDASRL DATA SEQUENCE KEQYGIDVPD GFFCERRRTA MGGPFALNAP IMAVAQPVRN KIYSKYAYTF DATA SEQUENCE HHTTRLNKEE KVKEWSLCVA TDVSDHDTFW PGWLRDLICD ELLNMGYAPW DATA SEQUENCE WVKLFETSLK LPVYVGAPAP EQGHTLLGDP SNPDLEVGLS SGQGATDLMG DATA SEQUENCE TLLMSITYLV MQLDHTAPHL NSRIKDMPSA CRFLDSYWQG HEEIRQISKS DATA SEQUENCE DDAMLGWTKG RALVGGHRLF EMLKEGKVNP SPYMKISYQH GGAFLGDILL DATA SEQUENCE YDSRREPGSA IFVGNINSML NNQFSPEYGV QSGVRDRSKR KRPFPGLAWA DATA SEQUENCE SMKDTYGACP IYSDVLEAIE RCWWNAFGES YRAYREDMLK RDTLELSRYV DATA SEQUENCE XXXXXXXGLA ELTPIDLEVL ADPNKLQYKW TEADVSANIH EVLMHGVSVE DATA SEQUENCE KTERFLRSVM P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.271 176.300 -0.048 0.000 0.893 3 R CA 0.000 56.065 56.100 -0.059 0.000 0.921 3 R CB 0.000 30.262 30.300 -0.064 0.000 0.687 4 A N 5.113 127.900 122.820 -0.056 0.000 2.445 4 A HA 0.468 4.788 4.320 -0.001 0.000 0.242 4 A C -2.138 175.430 177.584 -0.027 0.000 1.075 4 A CA -1.046 50.977 52.037 -0.022 0.000 0.777 4 A CB -0.102 18.892 19.000 -0.009 0.000 1.013 4 A HN 0.520 nan 8.150 nan 0.000 0.493 5 P HA 0.410 nan 4.420 nan 0.000 0.271 5 P C -0.516 176.705 177.300 -0.132 0.000 1.216 5 P CA 0.241 63.286 63.100 -0.091 0.000 0.771 5 P CB 1.058 32.816 31.700 0.097 0.000 0.864 6 A N 2.723 125.314 122.820 -0.382 0.000 2.380 6 A HA 0.874 5.193 4.320 -0.001 0.000 0.315 6 A C -1.354 175.876 177.584 -0.590 0.000 1.101 6 A CA -0.470 51.465 52.037 -0.169 0.000 0.771 6 A CB 0.898 20.008 19.000 0.183 0.000 1.287 6 A HN 0.385 nan 8.150 nan 0.000 0.436 7 F N 0.383 120.439 119.950 0.178 0.000 2.588 7 F HA 0.512 5.039 4.527 -0.001 0.000 0.314 7 F C -2.602 173.299 175.800 0.169 0.000 1.134 7 F CA -1.791 56.301 58.000 0.154 0.000 0.961 7 F CB 2.396 41.490 39.000 0.158 0.000 1.239 7 F HN 0.278 nan 8.300 nan 0.000 0.448 8 P HA 0.132 nan 4.420 nan 0.000 0.274 8 P C 0.778 178.251 177.300 0.289 0.000 1.237 8 P CA -0.476 62.761 63.100 0.227 0.000 0.793 8 P CB 0.980 32.769 31.700 0.149 0.000 0.977 9 L N 2.609 124.007 121.223 0.291 0.000 2.137 9 L HA -0.241 4.099 4.340 -0.001 0.000 0.213 9 L C 1.971 178.967 176.870 0.210 0.000 1.085 9 L CA 2.608 57.631 54.840 0.305 0.000 0.760 9 L CB -1.647 40.545 42.059 0.222 0.000 0.893 9 L HN 0.440 nan 8.230 nan 0.000 0.434 10 S N -1.906 113.895 115.700 0.168 0.000 2.447 10 S HA -0.134 4.335 4.470 -0.001 0.000 0.233 10 S C 0.951 175.634 174.600 0.139 0.000 1.006 10 S CA 0.411 58.687 58.200 0.127 0.000 0.957 10 S CB -0.825 62.438 63.200 0.104 0.000 0.773 10 S HN 0.606 nan 8.310 nan 0.000 0.507 11 D N 0.636 121.146 120.400 0.183 0.000 2.414 11 D HA 0.201 4.840 4.640 -0.001 0.000 0.242 11 D C 1.031 177.411 176.300 0.134 0.000 1.129 11 D CA -0.224 53.886 54.000 0.183 0.000 0.885 11 D CB 0.554 41.529 40.800 0.291 0.000 1.198 11 D HN 0.060 nan 8.370 nan 0.000 0.437 12 I N 3.369 123.997 120.570 0.097 0.000 2.248 12 I HA -0.270 3.900 4.170 -0.001 0.000 0.248 12 I C 1.799 177.926 176.117 0.017 0.000 1.107 12 I CA 1.744 63.081 61.300 0.061 0.000 1.373 12 I CB -0.019 38.011 38.000 0.049 0.000 1.055 12 I HN 0.432 nan 8.210 nan 0.000 0.418 13 K N 0.214 120.582 120.400 -0.053 0.000 2.097 13 K HA -0.071 4.249 4.320 -0.001 0.000 0.206 13 K C 1.982 178.497 176.600 -0.142 0.000 1.049 13 K CA 1.399 57.562 56.287 -0.207 0.000 0.933 13 K CB -0.266 31.877 32.500 -0.594 0.000 0.717 13 K HN 0.508 nan 8.250 nan 0.000 0.442 14 A N 0.532 123.359 122.820 0.012 0.000 2.147 14 A HA -0.031 4.288 4.320 -0.001 0.000 0.211 14 A C 1.898 179.614 177.584 0.221 0.000 1.160 14 A CA 0.362 52.496 52.037 0.160 0.000 0.781 14 A CB 0.058 19.293 19.000 0.393 0.000 0.842 14 A HN 0.113 nan 8.150 nan 0.000 0.475 15 Q N -0.032 119.874 119.800 0.176 0.000 2.124 15 Q HA -0.063 4.277 4.340 -0.001 0.000 0.202 15 Q C 1.677 177.784 176.000 0.177 0.000 0.977 15 Q CA 1.379 57.303 55.803 0.201 0.000 0.850 15 Q CB -0.374 28.440 28.738 0.127 0.000 0.901 15 Q HN 0.757 nan 8.270 nan 0.000 0.429 16 M N 0.208 119.860 119.600 0.087 0.000 2.633 16 M HA 0.053 4.532 4.480 -0.001 0.000 0.226 16 M C 1.370 177.695 176.300 0.042 0.000 1.137 16 M CA 0.334 55.687 55.300 0.089 0.000 1.020 16 M CB -0.022 32.643 32.600 0.109 0.000 1.675 16 M HN 0.064 nan 8.290 nan 0.000 0.500 17 L N -0.642 120.489 121.223 -0.153 0.000 2.446 17 L HA 0.123 4.463 4.340 -0.001 0.000 0.219 17 L C -0.147 176.322 176.870 -0.669 0.000 1.116 17 L CA 0.450 54.976 54.840 -0.523 0.000 0.844 17 L CB 0.119 41.614 42.059 -0.940 0.000 0.970 17 L HN 0.182 nan 8.230 nan 0.000 0.457 18 F N 0.201 120.177 119.950 0.043 0.000 2.434 18 F HA 0.534 5.061 4.527 -0.001 0.000 0.355 18 F C 0.711 176.547 175.800 0.060 0.000 1.115 18 F CA -1.001 57.040 58.000 0.067 0.000 1.010 18 F CB 0.608 39.589 39.000 -0.032 0.000 1.234 18 F HN -0.196 nan 8.300 nan 0.000 0.439 19 A N 1.891 124.832 122.820 0.202 0.000 2.433 19 A HA 0.050 4.370 4.320 -0.001 0.000 0.250 19 A C 0.620 178.305 177.584 0.167 0.000 1.113 19 A CA -0.304 51.837 52.037 0.174 0.000 0.794 19 A CB 0.131 19.296 19.000 0.274 0.000 1.067 19 A HN 0.709 nan 8.150 nan 0.000 0.510 20 N N 1.066 119.846 118.700 0.133 0.000 3.050 20 N HA 0.199 4.939 4.740 -0.001 0.000 0.289 20 N C -0.875 174.680 175.510 0.074 0.000 1.209 20 N CA 0.054 53.157 53.050 0.089 0.000 1.154 20 N CB -1.013 37.513 38.487 0.065 0.000 1.444 20 N HN 0.736 nan 8.380 nan 0.000 0.529 21 N N -0.195 118.551 118.700 0.077 0.000 3.020 21 N HA 0.261 5.001 4.740 -0.001 0.000 0.248 21 N C 0.680 176.210 175.510 0.032 0.000 1.480 21 N CA -0.787 52.293 53.050 0.050 0.000 0.874 21 N CB 0.561 39.082 38.487 0.056 0.000 1.433 21 N HN -0.235 nan 8.380 nan 0.000 0.530 22 I N -0.460 120.118 120.570 0.013 0.000 2.113 22 I HA -0.153 4.017 4.170 -0.001 0.000 0.238 22 I C 1.869 177.970 176.117 -0.026 0.000 1.070 22 I CA 1.313 62.607 61.300 -0.010 0.000 1.332 22 I CB -1.338 36.656 38.000 -0.010 0.000 1.044 22 I HN 0.585 nan 8.210 nan 0.000 0.402 23 K N 1.386 121.784 120.400 -0.005 0.000 2.059 23 K HA -0.193 4.126 4.320 -0.001 0.000 0.212 23 K C 2.245 178.794 176.600 -0.085 0.000 1.050 23 K CA 1.954 58.231 56.287 -0.016 0.000 0.927 23 K CB -0.628 31.900 32.500 0.047 0.000 0.714 23 K HN 0.427 nan 8.250 nan 0.000 0.447 24 A N 1.593 124.418 122.820 0.010 0.000 1.873 24 A HA -0.179 4.141 4.320 -0.001 0.000 0.215 24 A C 2.215 179.711 177.584 -0.146 0.000 1.186 24 A CA 1.274 53.317 52.037 0.009 0.000 0.616 24 A CB -0.349 18.818 19.000 0.279 0.000 0.823 24 A HN 0.267 nan 8.150 nan 0.000 0.442 25 Q N -0.246 119.502 119.800 -0.088 0.000 2.084 25 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 25 Q C 2.161 178.009 176.000 -0.254 0.000 0.978 25 Q CA 1.795 57.501 55.803 -0.163 0.000 0.844 25 Q CB -0.491 28.199 28.738 -0.081 0.000 0.898 25 Q HN 0.817 nan 8.270 nan 0.000 0.426 26 Q N 0.031 119.714 119.800 -0.196 0.000 2.135 26 Q HA -0.131 4.208 4.340 -0.001 0.000 0.204 26 Q C 2.033 177.882 176.000 -0.251 0.000 0.981 26 Q CA 1.518 57.215 55.803 -0.178 0.000 0.856 26 Q CB -0.191 28.478 28.738 -0.114 0.000 0.902 26 Q HN 0.397 nan 8.270 nan 0.000 0.425 27 A N 0.812 123.392 122.820 -0.401 0.000 1.898 27 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 27 A C 2.228 179.585 177.584 -0.379 0.000 1.181 27 A CA 1.695 53.457 52.037 -0.458 0.000 0.620 27 A CB -0.711 17.540 19.000 -1.249 0.000 0.819 27 A HN 0.460 nan 8.150 nan 0.000 0.442 28 S N -0.250 114.931 115.700 -0.866 0.000 2.399 28 S HA -0.157 4.313 4.470 -0.001 0.000 0.231 28 S C 1.767 175.970 174.600 -0.661 0.000 1.022 28 S CA 1.682 59.068 58.200 -1.356 0.000 0.983 28 S CB -0.285 61.776 63.200 -1.899 0.000 0.803 28 S HN 0.582 nan 8.310 nan 0.000 0.480 29 K N 0.274 120.365 120.400 -0.515 0.000 2.356 29 K HA 0.227 4.546 4.320 -0.001 0.000 0.195 29 K C 0.664 177.067 176.600 -0.329 0.000 1.037 29 K CA -0.137 55.870 56.287 -0.466 0.000 1.014 29 K CB 0.136 32.490 32.500 -0.243 0.000 0.815 29 K HN 0.256 nan 8.250 nan 0.000 0.507 30 R N 1.936 122.360 120.500 -0.127 0.000 2.484 30 R HA 0.029 4.368 4.340 -0.001 0.000 0.293 30 R C 0.054 176.514 176.300 0.267 0.000 1.023 30 R CA 0.121 56.263 56.100 0.070 0.000 1.037 30 R CB 0.718 31.055 30.300 0.062 0.000 0.951 30 R HN 0.144 nan 8.270 nan 0.000 0.418 31 S N 3.053 118.891 115.700 0.229 0.000 2.719 31 S HA 0.293 4.763 4.470 -0.001 0.000 0.285 31 S C -0.009 174.713 174.600 0.203 0.000 1.137 31 S CA -0.883 57.470 58.200 0.255 0.000 1.012 31 S CB 0.504 63.834 63.200 0.215 0.000 1.134 31 S HN 0.491 nan 8.310 nan 0.000 0.544 32 F N 1.531 121.523 119.950 0.070 0.000 2.563 32 F HA 0.330 4.856 4.527 -0.001 0.000 0.363 32 F C 0.490 176.338 175.800 0.078 0.000 1.123 32 F CA 0.647 58.681 58.000 0.056 0.000 1.307 32 F CB 0.391 39.414 39.000 0.038 0.000 1.115 32 F HN 0.586 nan 8.300 nan 0.000 0.592 33 K N 6.222 126.418 120.400 -0.341 0.000 2.652 33 K HA 0.223 4.543 4.320 -0.001 0.000 0.249 33 K C -1.362 175.119 176.600 -0.199 0.000 0.986 33 K CA -0.586 55.653 56.287 -0.080 0.000 0.867 33 K CB 1.050 33.524 32.500 -0.044 0.000 1.201 33 K HN 0.794 nan 8.250 nan 0.000 0.450 34 E N 2.243 122.516 120.200 0.120 0.000 2.281 34 E HA 0.828 5.177 4.350 -0.001 0.000 0.257 34 E C -0.305 176.231 176.600 -0.107 0.000 0.971 34 E CA -1.519 54.921 56.400 0.066 0.000 0.839 34 E CB 2.071 32.045 29.700 0.456 0.000 1.238 34 E HN 0.605 nan 8.360 nan 0.000 0.412 35 G N -0.653 107.840 108.800 -0.511 0.000 2.277 35 G HA2 0.375 4.334 3.960 -0.001 0.000 0.272 35 G HA3 0.375 4.334 3.960 -0.001 0.000 0.272 35 G C -0.830 173.584 174.900 -0.809 0.000 1.692 35 G CA -0.557 44.179 45.100 -0.607 0.000 0.926 35 G HN 0.700 nan 8.290 nan 0.000 0.720 36 A N 1.249 123.665 122.820 -0.672 0.000 2.561 36 A HA 0.493 4.813 4.320 -0.001 0.000 0.234 36 A C 0.996 178.460 177.584 -0.198 0.000 1.055 36 A CA 0.819 52.638 52.037 -0.365 0.000 0.756 36 A CB -0.164 18.826 19.000 -0.018 0.000 0.986 36 A HN 2.049 nan 8.150 nan 0.000 0.505 37 I N -0.917 119.581 120.570 -0.121 0.000 2.488 37 I HA 0.446 4.616 4.170 -0.001 0.000 0.299 37 I C 0.283 176.399 176.117 -0.001 0.000 0.984 37 I CA -0.588 60.678 61.300 -0.056 0.000 1.250 37 I CB 1.468 39.442 38.000 -0.044 0.000 1.389 37 I HN 0.712 nan 8.210 nan 0.000 0.488 38 E N 3.888 124.087 120.200 -0.002 0.000 1.842 38 E HA 0.048 4.397 4.350 -0.001 0.000 0.278 38 E C 0.560 177.146 176.600 -0.024 0.000 1.171 38 E CA -0.062 56.345 56.400 0.010 0.000 1.127 38 E CB 0.192 29.903 29.700 0.018 0.000 1.100 38 E HN 0.847 nan 8.360 nan 0.000 0.456 39 T N 2.612 117.141 114.554 -0.041 0.000 2.592 39 T HA -0.219 4.130 4.350 -0.001 0.000 0.267 39 T C 0.041 174.488 174.700 -0.422 0.000 1.060 39 T CA 1.657 63.649 62.100 -0.179 0.000 1.167 39 T CB -0.116 68.654 68.868 -0.162 0.000 0.863 39 T HN 0.333 nan 8.240 nan 0.000 0.431 40 Y N -0.384 119.929 120.300 0.023 0.000 2.634 40 Y HA 0.458 5.008 4.550 -0.001 0.000 0.340 40 Y C 0.005 175.938 175.900 0.054 0.000 1.058 40 Y CA -1.900 56.231 58.100 0.052 0.000 1.081 40 Y CB 1.058 39.597 38.460 0.131 0.000 1.295 40 Y HN -0.058 nan 8.280 nan 0.000 0.487 41 E N 0.614 120.959 120.200 0.242 0.000 2.498 41 E HA 0.291 4.641 4.350 -0.001 0.000 0.252 41 E C 0.730 177.416 176.600 0.143 0.000 1.025 41 E CA 1.425 57.906 56.400 0.134 0.000 0.938 41 E CB -0.199 29.550 29.700 0.081 0.000 0.947 41 E HN 0.843 nan 8.360 nan 0.000 0.478 42 G N 3.559 112.420 108.800 0.101 0.000 2.143 42 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.248 42 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.248 42 G C -0.488 174.468 174.900 0.094 0.000 0.991 42 G CA 0.290 45.444 45.100 0.090 0.000 0.689 42 G HN 0.494 nan 8.290 nan 0.000 0.522 43 L N 0.113 121.395 121.223 0.099 0.000 2.476 43 L HA 0.837 5.177 4.340 -0.001 0.000 0.269 43 L C -0.777 176.128 176.870 0.059 0.000 0.965 43 L CA -1.512 53.375 54.840 0.079 0.000 0.845 43 L CB 1.469 43.567 42.059 0.066 0.000 1.259 43 L HN -0.033 nan 8.230 nan 0.000 0.403 44 L N 3.356 124.633 121.223 0.090 0.000 2.326 44 L HA 0.437 4.777 4.340 -0.001 0.000 0.278 44 L C 1.683 178.687 176.870 0.223 0.000 1.092 44 L CA 0.792 55.703 54.840 0.117 0.000 0.810 44 L CB 1.608 43.734 42.059 0.111 0.000 1.153 44 L HN 0.884 nan 8.230 nan 0.000 0.439 45 S N 1.799 117.647 115.700 0.247 0.000 2.402 45 S HA -0.151 4.319 4.470 -0.001 0.000 0.233 45 S C 1.133 176.007 174.600 0.457 0.000 1.030 45 S CA 1.259 59.727 58.200 0.447 0.000 1.003 45 S CB -0.624 62.745 63.200 0.282 0.000 0.813 45 S HN 0.583 nan 8.310 nan 0.000 0.477 46 V N -0.920 119.176 119.914 0.302 0.000 3.342 46 V HA 0.316 4.435 4.120 -0.001 0.000 0.322 46 V C 0.199 176.385 176.094 0.153 0.000 1.370 46 V CA -0.417 62.015 62.300 0.221 0.000 1.170 46 V CB -0.791 31.176 31.823 0.240 0.000 1.101 46 V HN 0.228 nan 8.190 nan 0.000 0.442 47 D N 2.263 122.794 120.400 0.218 0.000 2.450 47 D HA 0.138 4.778 4.640 -0.001 0.000 0.247 47 D C -1.282 175.057 176.300 0.065 0.000 1.162 47 D CA -1.690 52.395 54.000 0.141 0.000 0.879 47 D CB 1.905 42.817 40.800 0.187 0.000 1.163 47 D HN 0.121 nan 8.370 nan 0.000 0.472 48 P HA -0.188 nan 4.420 nan 0.000 0.218 48 P C 1.080 178.281 177.300 -0.164 0.000 1.152 48 P CA 1.597 64.633 63.100 -0.108 0.000 0.857 48 P CB 0.218 31.855 31.700 -0.106 0.000 0.787 49 R N -2.315 118.041 120.500 -0.240 0.000 2.055 49 R HA -0.053 4.287 4.340 -0.001 0.000 0.226 49 R C 2.260 178.364 176.300 -0.327 0.000 1.135 49 R CA 1.022 56.815 56.100 -0.513 0.000 0.959 49 R CB -1.220 28.433 30.300 -1.079 0.000 0.854 49 R HN 0.132 nan 8.270 nan 0.000 0.431 50 F N 2.090 121.925 119.950 -0.191 0.000 2.126 50 F HA -0.138 4.389 4.527 -0.001 0.000 0.299 50 F C 1.819 177.741 175.800 0.204 0.000 1.096 50 F CA 1.341 59.453 58.000 0.187 0.000 1.255 50 F CB -0.320 38.861 39.000 0.302 0.000 0.997 50 F HN -0.082 nan 8.300 nan 0.000 0.479 51 L N -1.215 120.006 121.223 -0.002 0.000 2.093 51 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 51 L C 2.707 179.498 176.870 -0.132 0.000 1.085 51 L CA 1.479 56.196 54.840 -0.205 0.000 0.755 51 L CB -1.072 40.735 42.059 -0.420 0.000 0.904 51 L HN 0.166 nan 8.230 nan 0.000 0.435 52 S N -0.098 115.541 115.700 -0.102 0.000 2.383 52 S HA -0.204 4.266 4.470 -0.001 0.000 0.227 52 S C 1.980 176.589 174.600 0.014 0.000 1.026 52 S CA 0.977 59.139 58.200 -0.062 0.000 0.981 52 S CB -0.323 62.815 63.200 -0.104 0.000 0.818 52 S HN 0.405 nan 8.310 nan 0.000 0.472 53 F N 2.215 122.108 119.950 -0.095 0.000 2.069 53 F HA -0.061 4.466 4.527 -0.001 0.000 0.298 53 F C 2.058 177.836 175.800 -0.036 0.000 1.113 53 F CA 1.908 59.888 58.000 -0.035 0.000 1.214 53 F CB -0.515 38.525 39.000 0.066 0.000 0.978 53 F HN 0.131 nan 8.300 nan 0.000 0.474 54 K N 0.187 120.485 120.400 -0.170 0.000 2.009 54 K HA -0.283 4.037 4.320 -0.001 0.000 0.210 54 K C 1.993 178.531 176.600 -0.104 0.000 1.049 54 K CA 1.927 58.076 56.287 -0.230 0.000 0.929 54 K CB -0.692 31.802 32.500 -0.010 0.000 0.714 54 K HN 0.396 nan 8.250 nan 0.000 0.440 55 N N 0.851 119.610 118.700 0.098 0.000 2.091 55 N HA -0.260 4.480 4.740 -0.001 0.000 0.193 55 N C 1.846 177.400 175.510 0.073 0.000 1.021 55 N CA 1.779 54.920 53.050 0.152 0.000 0.862 55 N CB 0.088 38.687 38.487 0.187 0.000 1.018 55 N HN 0.250 nan 8.380 nan 0.000 0.429 56 E N -0.819 119.370 120.200 -0.020 0.000 2.140 56 E HA -0.100 4.250 4.350 -0.001 0.000 0.191 56 E C 1.880 178.435 176.600 -0.074 0.000 0.973 56 E CA 0.258 56.647 56.400 -0.018 0.000 0.829 56 E CB -0.043 29.639 29.700 -0.031 0.000 0.781 56 E HN 0.337 nan 8.360 nan 0.000 0.466 57 L N 1.199 122.259 121.223 -0.272 0.000 2.046 57 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 57 L C 2.315 179.083 176.870 -0.171 0.000 1.077 57 L CA 2.338 56.986 54.840 -0.320 0.000 0.747 57 L CB -0.659 40.956 42.059 -0.741 0.000 0.896 57 L HN 0.159 nan 8.230 nan 0.000 0.432 58 S N -0.932 114.688 115.700 -0.134 0.000 2.371 58 S HA -0.138 4.332 4.470 -0.001 0.000 0.224 58 S C 2.063 176.627 174.600 -0.060 0.000 1.029 58 S CA 0.711 58.856 58.200 -0.092 0.000 0.978 58 S CB -0.574 62.625 63.200 -0.002 0.000 0.833 58 S HN 0.469 nan 8.310 nan 0.000 0.466 59 R N 0.101 120.689 120.500 0.148 0.000 2.070 59 R HA -0.082 4.257 4.340 -0.001 0.000 0.233 59 R C 2.361 178.730 176.300 0.116 0.000 1.137 59 R CA 1.756 58.004 56.100 0.246 0.000 0.945 59 R CB -0.734 29.734 30.300 0.281 0.000 0.845 59 R HN 0.562 nan 8.270 nan 0.000 0.430 60 Y N 1.568 121.853 120.300 -0.025 0.000 2.181 60 Y HA -0.184 4.365 4.550 -0.001 0.000 0.288 60 Y C 2.006 177.851 175.900 -0.092 0.000 1.146 60 Y CA 1.458 59.532 58.100 -0.043 0.000 1.164 60 Y CB -0.217 38.181 38.460 -0.103 0.000 0.982 60 Y HN -0.026 nan 8.280 nan 0.000 0.515 61 L N -0.935 120.160 121.223 -0.213 0.000 2.056 61 L HA -0.204 4.136 4.340 -0.001 0.000 0.207 61 L C 2.252 178.818 176.870 -0.508 0.000 1.078 61 L CA 1.843 56.369 54.840 -0.523 0.000 0.749 61 L CB -0.723 40.712 42.059 -1.039 0.000 0.901 61 L HN 0.214 nan 8.230 nan 0.000 0.433 62 T N -1.463 112.906 114.554 -0.307 0.000 2.915 62 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 62 T C 1.377 176.061 174.700 -0.026 0.000 1.071 62 T CA 1.249 63.327 62.100 -0.037 0.000 1.132 62 T CB -0.110 68.579 68.868 -0.298 0.000 0.878 62 T HN 0.277 nan 8.240 nan 0.000 0.479 63 D N 0.643 120.987 120.400 -0.094 0.000 2.110 63 D HA -0.058 4.582 4.640 -0.001 0.000 0.202 63 D C 1.797 177.939 176.300 -0.263 0.000 0.975 63 D CA 1.097 55.033 54.000 -0.108 0.000 0.839 63 D CB -0.145 40.627 40.800 -0.046 0.000 0.996 63 D HN 0.379 nan 8.370 nan 0.000 0.464 64 H N -1.969 116.757 119.070 -0.574 0.000 2.547 64 H HA 0.197 4.753 4.556 -0.001 0.000 0.272 64 H C -0.208 174.501 175.328 -1.032 0.000 0.989 64 H CA 0.562 56.095 56.048 -0.860 0.000 1.214 64 H CB 0.110 29.120 29.762 -1.254 0.000 1.389 64 H HN 0.052 nan 8.280 nan 0.000 0.577 65 F N 0.432 120.323 119.950 -0.099 0.000 2.809 65 F HA 0.338 4.865 4.527 -0.001 0.000 0.369 65 F C -2.574 173.279 175.800 0.088 0.000 1.225 65 F CA -2.850 55.149 58.000 -0.000 0.000 1.201 65 F CB 1.032 40.052 39.000 0.033 0.000 1.527 65 F HN -0.154 nan 8.300 nan 0.000 0.565 66 P HA 0.215 nan 4.420 nan 0.000 0.274 66 P C -0.175 177.198 177.300 0.122 0.000 1.231 66 P CA -0.392 62.785 63.100 0.128 0.000 0.790 66 P CB 0.806 32.544 31.700 0.063 0.000 0.951 67 A N 2.457 125.333 122.820 0.094 0.000 2.548 67 A HA -0.012 4.308 4.320 -0.001 0.000 0.247 67 A C 0.323 177.904 177.584 -0.005 0.000 1.067 67 A CA 0.195 52.257 52.037 0.042 0.000 0.757 67 A CB -0.952 18.079 19.000 0.053 0.000 0.996 67 A HN 0.551 nan 8.150 nan 0.000 0.504 68 N N 2.204 120.826 118.700 -0.130 0.000 3.083 68 N HA 0.348 5.087 4.740 -0.001 0.000 0.260 68 N C -1.196 174.118 175.510 -0.328 0.000 1.163 68 N CA -0.207 52.591 53.050 -0.420 0.000 1.060 68 N CB 0.866 38.836 38.487 -0.861 0.000 1.345 68 N HN 0.385 nan 8.380 nan 0.000 0.515 69 V N 0.762 120.701 119.914 0.041 0.000 2.540 69 V HA 0.160 4.279 4.120 -0.001 0.000 0.302 69 V C 0.322 176.569 176.094 0.255 0.000 1.035 69 V CA -0.942 61.437 62.300 0.133 0.000 0.873 69 V CB 2.112 33.927 31.823 -0.014 0.000 0.992 69 V HN 0.385 nan 8.190 nan 0.000 0.428 70 D N 2.191 122.743 120.400 0.252 0.000 2.349 70 D HA 0.045 4.684 4.640 -0.001 0.000 0.239 70 D C 1.234 177.618 176.300 0.141 0.000 1.315 70 D CA 0.196 54.305 54.000 0.181 0.000 0.937 70 D CB 0.840 41.718 40.800 0.132 0.000 1.133 70 D HN 0.697 nan 8.370 nan 0.000 0.489 71 E N -0.515 119.768 120.200 0.139 0.000 2.371 71 E HA -0.121 4.229 4.350 -0.001 0.000 0.194 71 E C 0.530 177.065 176.600 -0.109 0.000 1.012 71 E CA 0.496 56.923 56.400 0.046 0.000 0.860 71 E CB 0.082 29.759 29.700 -0.038 0.000 0.811 71 E HN 0.508 nan 8.360 nan 0.000 0.502 72 Y N -0.137 120.121 120.300 -0.070 0.000 2.658 72 Y HA 0.278 4.827 4.550 -0.001 0.000 0.276 72 Y C 1.351 177.450 175.900 0.332 0.000 1.167 72 Y CA -0.129 57.896 58.100 -0.125 0.000 1.230 72 Y CB 1.112 39.236 38.460 -0.560 0.000 1.144 72 Y HN 0.064 nan 8.280 nan 0.000 0.529 73 G N 1.083 110.133 108.800 0.416 0.000 2.166 73 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.260 73 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.260 73 G C 0.308 175.346 174.900 0.230 0.000 0.986 73 G CA -0.137 45.113 45.100 0.250 0.000 0.683 73 G HN 0.379 nan 8.290 nan 0.000 0.527 74 R N -0.717 119.921 120.500 0.229 0.000 2.539 74 R HA 0.527 4.866 4.340 -0.001 0.000 0.275 74 R C 0.226 176.680 176.300 0.257 0.000 1.077 74 R CA -0.394 55.831 56.100 0.210 0.000 1.097 74 R CB 1.265 31.457 30.300 -0.180 0.000 1.018 74 R HN 0.103 nan 8.270 nan 0.000 0.483 75 V N 3.201 123.320 119.914 0.342 0.000 2.581 75 V HA 0.467 4.587 4.120 -0.001 0.000 0.303 75 V C -0.569 175.732 176.094 0.345 0.000 1.041 75 V CA -0.643 61.810 62.300 0.256 0.000 0.907 75 V CB 1.020 32.925 31.823 0.137 0.000 0.994 75 V HN 0.832 nan 8.190 nan 0.000 0.442 76 Y N 1.198 121.569 120.300 0.118 0.000 2.974 76 Y HA 0.888 5.438 4.550 -0.001 0.000 0.310 76 Y C 0.876 176.831 175.900 0.092 0.000 1.526 76 Y CA -0.226 57.940 58.100 0.110 0.000 1.087 76 Y CB 0.746 39.268 38.460 0.103 0.000 1.404 76 Y HN 1.077 nan 8.280 nan 0.000 0.491 77 G N 1.858 110.732 108.800 0.124 0.000 2.634 77 G HA2 -0.471 3.489 3.960 -0.001 0.000 0.318 77 G HA3 -0.471 3.489 3.960 -0.001 0.000 0.318 77 G C 0.640 175.534 174.900 -0.011 0.000 1.207 77 G CA 1.235 46.339 45.100 0.007 0.000 0.987 77 G HN 1.498 nan 8.290 nan 0.000 0.547 78 N N 2.294 120.963 118.700 -0.051 0.000 2.457 78 N HA 0.324 5.064 4.740 -0.001 0.000 0.180 78 N C 1.946 177.459 175.510 0.006 0.000 1.050 78 N CA 2.055 55.120 53.050 0.026 0.000 0.906 78 N CB -0.383 38.166 38.487 0.103 0.000 0.968 78 N HN 2.404 nan 8.380 nan 0.000 0.445 79 G N -1.014 107.768 108.800 -0.030 0.000 2.175 79 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 79 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 79 G C -0.333 174.559 174.900 -0.014 0.000 0.982 79 G CA 0.213 45.310 45.100 -0.004 0.000 0.641 79 G HN 0.330 nan 8.290 nan 0.000 0.527 80 V N 1.814 121.716 119.914 -0.021 0.000 2.470 80 V HA 0.359 4.479 4.120 -0.001 0.000 0.276 80 V C 1.601 177.657 176.094 -0.064 0.000 1.040 80 V CA 0.782 63.056 62.300 -0.045 0.000 1.008 80 V CB 1.053 32.912 31.823 0.060 0.000 0.990 80 V HN 0.621 nan 8.190 nan 0.000 0.477 81 R N 2.637 123.086 120.500 -0.085 0.000 2.334 81 R HA 0.364 4.703 4.340 -0.001 0.000 0.216 81 R C 0.518 176.802 176.300 -0.026 0.000 0.905 81 R CA 0.201 56.280 56.100 -0.036 0.000 1.064 81 R CB 0.578 30.873 30.300 -0.009 0.000 1.046 81 R HN 0.634 nan 8.270 nan 0.000 0.508 82 T N -0.079 114.410 114.554 -0.109 0.000 2.663 82 T HA 0.131 4.480 4.350 -0.001 0.000 0.305 82 T C -1.712 172.858 174.700 -0.216 0.000 1.660 82 T CA -0.811 61.234 62.100 -0.092 0.000 0.976 82 T CB 0.605 69.430 68.868 -0.070 0.000 1.705 82 T HN 0.406 nan 8.240 nan 0.000 0.494 83 N N 0.433 119.068 118.700 -0.108 0.000 2.354 83 N HA 0.317 5.057 4.740 -0.001 0.000 0.246 83 N C 0.057 175.378 175.510 -0.316 0.000 1.285 83 N CA -0.298 52.670 53.050 -0.138 0.000 0.925 83 N CB -0.082 38.401 38.487 -0.007 0.000 1.174 83 N HN 0.475 nan 8.380 nan 0.000 0.478 84 F N -1.642 118.079 119.950 -0.382 0.000 2.664 84 F HA 0.363 4.889 4.527 -0.001 0.000 0.303 84 F C 0.761 176.423 175.800 -0.231 0.000 1.092 84 F CA -0.584 57.266 58.000 -0.250 0.000 1.305 84 F CB -0.535 38.333 39.000 -0.221 0.000 1.054 84 F HN 0.367 nan 8.300 nan 0.000 0.565 85 F N 0.080 120.085 119.950 0.092 0.000 2.641 85 F HA -0.026 4.501 4.527 -0.001 0.000 0.298 85 F C 2.387 178.109 175.800 -0.131 0.000 1.146 85 F CA 0.443 58.403 58.000 -0.068 0.000 1.464 85 F CB -0.730 38.223 39.000 -0.078 0.000 1.101 85 F HN 0.130 nan 8.300 nan 0.000 0.585 86 G N 1.708 110.571 108.800 0.105 0.000 2.513 86 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.219 86 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.219 86 G C 1.655 176.634 174.900 0.133 0.000 1.160 86 G CA 1.226 46.403 45.100 0.127 0.000 0.767 86 G HN 0.490 nan 8.290 nan 0.000 0.571 87 M N -0.255 119.386 119.600 0.068 0.000 2.539 87 M HA 0.136 4.616 4.480 -0.001 0.000 0.261 87 M C 1.344 177.555 176.300 -0.148 0.000 1.069 87 M CA 0.956 56.292 55.300 0.060 0.000 1.081 87 M CB -0.221 32.423 32.600 0.074 0.000 1.412 87 M HN -0.049 nan 8.290 nan 0.000 0.482 88 R N 1.654 121.874 120.500 -0.466 0.000 4.980 88 R HA 0.146 4.486 4.340 -0.001 0.000 0.190 88 R C -1.022 174.699 176.300 -0.965 0.000 2.095 88 R CA 0.167 55.573 56.100 -1.157 0.000 1.717 88 R CB -0.810 28.772 30.300 -1.196 0.000 1.337 88 R HN 0.551 nan 8.270 nan 0.000 0.820 89 H N -0.587 118.390 119.070 -0.155 0.000 2.679 89 H HA 0.279 4.835 4.556 -0.001 0.000 0.367 89 H C 0.234 175.736 175.328 0.290 0.000 1.162 89 H CA -0.863 55.254 56.048 0.115 0.000 1.181 89 H CB 1.549 31.374 29.762 0.104 0.000 1.693 89 H HN -0.094 nan 8.280 nan 0.000 0.538 90 M N 2.237 122.114 119.600 0.461 0.000 3.690 90 M HA 0.097 4.577 4.480 -0.001 0.000 0.209 90 M C -0.538 175.970 176.300 0.347 0.000 1.403 90 M CA -0.106 55.459 55.300 0.443 0.000 1.621 90 M CB -1.765 31.128 32.600 0.489 0.000 1.056 90 M HN 0.597 nan 8.290 nan 0.000 0.593 91 N N 1.311 120.169 118.700 0.263 0.000 2.256 91 N HA 0.115 4.854 4.740 -0.001 0.000 0.277 91 N C 1.228 176.726 175.510 -0.019 0.000 1.362 91 N CA 0.797 53.925 53.050 0.129 0.000 0.861 91 N CB 0.094 38.673 38.487 0.153 0.000 1.136 91 N HN 0.804 nan 8.380 nan 0.000 0.492 92 G N 1.610 110.340 108.800 -0.116 0.000 2.545 92 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.195 92 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.195 92 G C -0.250 174.388 174.900 -0.437 0.000 1.009 92 G CA -0.725 44.169 45.100 -0.343 0.000 0.703 92 G HN 0.456 nan 8.290 nan 0.000 0.479 93 F N 3.828 123.802 119.950 0.040 0.000 2.361 93 F HA 0.531 5.058 4.527 -0.001 0.000 0.364 93 F C -1.894 173.967 175.800 0.101 0.000 1.117 93 F CA -2.175 55.867 58.000 0.069 0.000 1.071 93 F CB 2.439 41.482 39.000 0.072 0.000 1.188 93 F HN -0.120 nan 8.300 nan 0.000 0.464 94 P HA 0.249 nan 4.420 nan 0.000 0.290 94 P C -0.568 176.861 177.300 0.217 0.000 1.275 94 P CA -0.743 62.467 63.100 0.184 0.000 0.841 94 P CB 1.624 33.396 31.700 0.120 0.000 1.042 95 M N 1.829 121.514 119.600 0.141 0.000 2.243 95 M HA 0.281 4.760 4.480 -0.001 0.000 0.309 95 M C -0.613 175.763 176.300 0.126 0.000 1.050 95 M CA 1.051 56.425 55.300 0.125 0.000 1.139 95 M CB -0.353 32.288 32.600 0.069 0.000 1.457 95 M HN 0.156 nan 8.290 nan 0.000 0.440 96 I N 1.829 122.464 120.570 0.108 0.000 2.569 96 I HA 0.501 4.670 4.170 -0.001 0.000 0.290 96 I C -2.417 173.761 176.117 0.102 0.000 1.088 96 I CA -2.115 59.240 61.300 0.091 0.000 1.047 96 I CB 2.390 40.415 38.000 0.041 0.000 1.237 96 I HN 0.594 nan 8.210 nan 0.000 0.421 97 P HA 0.507 nan 4.420 nan 0.000 0.284 97 P C -0.884 176.397 177.300 -0.031 0.000 1.287 97 P CA -0.524 62.616 63.100 0.067 0.000 0.824 97 P CB 1.027 32.819 31.700 0.154 0.000 1.180 98 A N -0.107 122.620 122.820 -0.156 0.000 2.272 98 A HA 0.506 4.826 4.320 -0.001 0.000 0.275 98 A C 0.413 177.914 177.584 -0.138 0.000 1.096 98 A CA -0.140 51.739 52.037 -0.264 0.000 0.822 98 A CB -0.447 18.116 19.000 -0.728 0.000 1.088 98 A HN 0.504 nan 8.150 nan 0.000 0.495 99 T N -0.400 114.128 114.554 -0.043 0.000 2.898 99 T HA 0.313 4.662 4.350 -0.001 0.000 0.301 99 T C -0.733 174.054 174.700 0.145 0.000 1.049 99 T CA 0.115 62.242 62.100 0.045 0.000 1.095 99 T CB -0.059 68.811 68.868 0.004 0.000 0.976 99 T HN 0.371 nan 8.240 nan 0.000 0.539 100 W N 4.627 125.956 121.300 0.048 0.000 2.316 100 W HA 0.382 5.041 4.660 -0.001 0.000 0.311 100 W C -2.055 174.490 176.519 0.043 0.000 1.217 100 W CA -2.071 55.332 57.345 0.096 0.000 1.199 100 W CB 0.155 29.675 29.460 0.099 0.000 1.202 100 W HN 0.529 nan 8.180 nan 0.000 0.528 101 P HA -0.031 nan 4.420 nan 0.000 0.267 101 P C -0.348 177.017 177.300 0.109 0.000 1.205 101 P CA -0.203 62.944 63.100 0.078 0.000 0.765 101 P CB 0.400 32.104 31.700 0.006 0.000 0.828 102 L N 3.329 124.586 121.223 0.056 0.000 2.453 102 L HA 0.173 4.513 4.340 -0.001 0.000 0.272 102 L C 1.364 178.254 176.870 0.034 0.000 1.182 102 L CA 0.617 55.489 54.840 0.054 0.000 0.858 102 L CB 0.140 42.214 42.059 0.025 0.000 1.120 102 L HN 0.489 nan 8.230 nan 0.000 0.474 103 A N 2.439 125.276 122.820 0.029 0.000 2.238 103 A HA 0.298 4.617 4.320 -0.001 0.000 0.210 103 A C 0.721 178.310 177.584 0.009 0.000 1.179 103 A CA 0.619 52.667 52.037 0.020 0.000 0.827 103 A CB 0.011 19.020 19.000 0.015 0.000 0.856 103 A HN 0.572 nan 8.150 nan 0.000 0.488 104 S N 0.062 115.765 115.700 0.006 0.000 2.626 104 S HA 0.309 4.779 4.470 -0.001 0.000 0.275 104 S C -0.183 174.425 174.600 0.013 0.000 1.175 104 S CA -0.300 57.905 58.200 0.008 0.000 0.982 104 S CB 0.583 63.784 63.200 0.002 0.000 1.093 104 S HN 0.417 nan 8.310 nan 0.000 0.472 105 N N 5.698 124.410 118.700 0.020 0.000 2.336 105 N HA 0.092 4.832 4.740 -0.001 0.000 0.189 105 N C 1.366 176.916 175.510 0.066 0.000 1.113 105 N CA 0.096 53.162 53.050 0.027 0.000 0.858 105 N CB -0.451 38.050 38.487 0.023 0.000 0.970 105 N HN 0.623 nan 8.380 nan 0.000 0.471 106 L N 0.434 121.692 121.223 0.057 0.000 1.997 106 L HA -0.214 4.126 4.340 -0.001 0.000 0.216 106 L C 2.671 179.587 176.870 0.077 0.000 1.074 106 L CA 1.863 56.746 54.840 0.072 0.000 0.763 106 L CB -0.453 41.637 42.059 0.051 0.000 0.890 106 L HN 0.277 nan 8.230 nan 0.000 0.434 107 K N 0.533 120.963 120.400 0.051 0.000 2.062 107 K HA -0.213 4.107 4.320 -0.001 0.000 0.205 107 K C 2.241 178.890 176.600 0.082 0.000 1.051 107 K CA 1.261 57.577 56.287 0.048 0.000 0.941 107 K CB -0.019 32.485 32.500 0.007 0.000 0.719 107 K HN 0.116 nan 8.250 nan 0.000 0.440 108 K N 0.914 121.365 120.400 0.085 0.000 2.059 108 K HA -0.214 4.105 4.320 -0.001 0.000 0.212 108 K C 2.183 178.938 176.600 0.259 0.000 1.050 108 K CA 1.664 58.022 56.287 0.117 0.000 0.927 108 K CB -0.041 32.459 32.500 0.001 0.000 0.714 108 K HN 0.143 nan 8.250 nan 0.000 0.447 109 R N -0.215 120.451 120.500 0.276 0.000 2.073 109 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 109 R C 2.466 178.881 176.300 0.193 0.000 1.134 109 R CA 1.286 57.578 56.100 0.319 0.000 0.952 109 R CB -0.425 30.030 30.300 0.258 0.000 0.850 109 R HN 0.294 nan 8.270 nan 0.000 0.433 110 A N 1.789 124.693 122.820 0.139 0.000 1.859 110 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 110 A C 1.546 179.182 177.584 0.087 0.000 1.198 110 A CA 2.058 54.151 52.037 0.092 0.000 0.629 110 A CB -0.694 18.346 19.000 0.067 0.000 0.830 110 A HN 0.218 nan 8.150 nan 0.000 0.446 111 D N -0.204 120.254 120.400 0.097 0.000 2.357 111 D HA -0.007 4.633 4.640 -0.001 0.000 0.216 111 D C 1.554 177.919 176.300 0.108 0.000 0.973 111 D CA 1.240 55.294 54.000 0.091 0.000 0.912 111 D CB -0.179 40.678 40.800 0.095 0.000 0.900 111 D HN 0.486 nan 8.370 nan 0.000 0.501 112 A N -0.147 122.754 122.820 0.134 0.000 2.348 112 A HA 0.084 4.403 4.320 -0.001 0.000 0.224 112 A C 0.150 177.761 177.584 0.046 0.000 1.227 112 A CA -0.039 52.070 52.037 0.119 0.000 0.885 112 A CB 0.495 19.607 19.000 0.187 0.000 0.933 112 A HN -0.069 nan 8.150 nan 0.000 0.506 113 D N -0.697 119.729 120.400 0.044 0.000 2.809 113 D HA -0.115 4.525 4.640 -0.001 0.000 0.234 113 D C -0.603 175.693 176.300 -0.005 0.000 1.111 113 D CA 0.856 54.865 54.000 0.016 0.000 0.726 113 D CB -1.593 39.212 40.800 0.007 0.000 1.089 113 D HN 0.480 nan 8.370 nan 0.000 0.436 114 L N -0.316 120.918 121.223 0.018 0.000 2.329 114 L HA 0.732 5.072 4.340 -0.001 0.000 0.279 114 L C 1.079 178.002 176.870 0.088 0.000 1.014 114 L CA -1.048 53.810 54.840 0.029 0.000 0.814 114 L CB 1.700 43.767 42.059 0.014 0.000 1.257 114 L HN 0.054 nan 8.230 nan 0.000 0.424 115 A N 1.226 124.095 122.820 0.083 0.000 2.466 115 A HA 0.129 4.449 4.320 -0.001 0.000 0.238 115 A C 0.510 178.173 177.584 0.133 0.000 1.074 115 A CA -0.121 51.944 52.037 0.047 0.000 0.774 115 A CB 0.057 19.030 19.000 -0.045 0.000 1.015 115 A HN 0.868 nan 8.150 nan 0.000 0.498 116 D N 0.120 120.478 120.400 -0.070 0.000 2.395 116 D HA 0.414 5.054 4.640 -0.001 0.000 0.226 116 D C 0.424 176.208 176.300 -0.860 0.000 1.146 116 D CA 0.664 54.595 54.000 -0.114 0.000 0.830 116 D CB -0.239 40.541 40.800 -0.033 0.000 0.958 116 D HN 0.977 nan 8.370 nan 0.000 0.501 117 G N -0.370 107.544 108.800 -1.477 0.000 2.313 117 G HA2 0.307 4.266 3.960 -0.001 0.000 0.296 117 G HA3 0.307 4.266 3.960 -0.001 0.000 0.296 117 G C -3.220 170.940 174.900 -1.233 0.000 1.356 117 G CA -1.116 42.750 45.100 -2.057 0.000 0.833 117 G HN -0.117 nan 8.290 nan 0.000 0.552 118 P HA 0.272 nan 4.420 nan 0.000 0.265 118 P C 0.984 178.249 177.300 -0.058 0.000 1.193 118 P CA -0.264 62.734 63.100 -0.170 0.000 0.765 118 P CB 1.286 32.957 31.700 -0.048 0.000 0.823 119 V N 1.383 121.364 119.914 0.111 0.000 2.446 119 V HA -0.063 4.057 4.120 -0.001 0.000 0.244 119 V C 1.063 177.144 176.094 -0.021 0.000 1.039 119 V CA 1.859 64.149 62.300 -0.017 0.000 1.045 119 V CB -0.492 31.288 31.823 -0.072 0.000 0.681 119 V HN 0.680 nan 8.190 nan 0.000 0.459 120 S N -1.086 114.625 115.700 0.018 0.000 2.568 120 S HA 0.468 4.938 4.470 -0.001 0.000 0.293 120 S C 0.395 174.996 174.600 0.002 0.000 1.089 120 S CA -0.371 57.824 58.200 -0.007 0.000 0.945 120 S CB 2.311 65.499 63.200 -0.020 0.000 1.077 120 S HN 0.179 nan 8.310 nan 0.000 0.485 121 E N 1.391 121.581 120.200 -0.016 0.000 2.265 121 E HA -0.159 4.190 4.350 -0.001 0.000 0.196 121 E C 1.900 178.492 176.600 -0.014 0.000 0.996 121 E CA 1.404 57.796 56.400 -0.012 0.000 0.832 121 E CB -0.099 29.589 29.700 -0.020 0.000 0.756 121 E HN 0.676 nan 8.360 nan 0.000 0.491 122 R N 0.232 120.713 120.500 -0.030 0.000 2.070 122 R HA -0.166 4.173 4.340 -0.001 0.000 0.232 122 R C 1.362 177.635 176.300 -0.045 0.000 1.138 122 R CA 2.026 58.094 56.100 -0.054 0.000 0.936 122 R CB -0.360 29.890 30.300 -0.082 0.000 0.839 122 R HN 0.184 nan 8.270 nan 0.000 0.429 123 D N 0.313 120.705 120.400 -0.013 0.000 2.133 123 D HA -0.195 4.445 4.640 -0.001 0.000 0.195 123 D C 1.578 177.921 176.300 0.070 0.000 0.997 123 D CA 1.435 55.432 54.000 -0.004 0.000 0.840 123 D CB -0.696 40.200 40.800 0.160 0.000 0.947 123 D HN 0.309 nan 8.370 nan 0.000 0.452 124 N N -0.058 118.707 118.700 0.108 0.000 2.272 124 N HA -0.114 4.625 4.740 -0.001 0.000 0.185 124 N C 1.597 177.169 175.510 0.103 0.000 1.014 124 N CA 0.715 53.845 53.050 0.133 0.000 0.870 124 N CB -0.141 38.380 38.487 0.056 0.000 0.975 124 N HN 0.196 nan 8.380 nan 0.000 0.433 125 L N -0.573 120.672 121.223 0.037 0.000 2.127 125 L HA 0.045 4.384 4.340 -0.001 0.000 0.203 125 L C 2.110 178.977 176.870 -0.006 0.000 1.080 125 L CA 0.383 55.231 54.840 0.014 0.000 0.768 125 L CB -0.297 41.752 42.059 -0.016 0.000 0.924 125 L HN 0.180 nan 8.230 nan 0.000 0.444 126 L N -1.179 120.002 121.223 -0.070 0.000 2.083 126 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 126 L C 2.518 179.314 176.870 -0.122 0.000 1.083 126 L CA 1.543 56.291 54.840 -0.152 0.000 0.752 126 L CB -0.553 41.352 42.059 -0.256 0.000 0.899 126 L HN 0.158 nan 8.230 nan 0.000 0.433 127 F N 0.272 120.216 119.950 -0.010 0.000 2.075 127 F HA -0.191 4.335 4.527 -0.001 0.000 0.297 127 F C 2.834 178.652 175.800 0.030 0.000 1.113 127 F CA 1.127 59.139 58.000 0.019 0.000 1.218 127 F CB -0.192 38.823 39.000 0.025 0.000 0.984 127 F HN -0.085 nan 8.300 nan 0.000 0.472 128 R N 0.215 120.845 120.500 0.218 0.000 2.120 128 R HA -0.150 4.189 4.340 -0.001 0.000 0.234 128 R C 2.342 178.693 176.300 0.086 0.000 1.123 128 R CA 1.011 57.185 56.100 0.124 0.000 0.975 128 R CB -0.772 29.578 30.300 0.084 0.000 0.866 128 R HN 0.296 nan 8.270 nan 0.000 0.446 129 A N 1.715 124.560 122.820 0.042 0.000 1.858 129 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 129 A C 2.470 180.053 177.584 -0.002 0.000 1.190 129 A CA 1.737 53.766 52.037 -0.012 0.000 0.617 129 A CB -0.823 18.121 19.000 -0.093 0.000 0.827 129 A HN 0.379 nan 8.150 nan 0.000 0.443 130 A N -0.589 122.228 122.820 -0.006 0.000 1.917 130 A HA -0.108 4.212 4.320 -0.001 0.000 0.219 130 A C 2.251 180.034 177.584 0.331 0.000 1.182 130 A CA 2.116 54.252 52.037 0.165 0.000 0.633 130 A CB -1.123 18.075 19.000 0.330 0.000 0.819 130 A HN 0.477 nan 8.150 nan 0.000 0.448 131 V N -0.035 120.039 119.914 0.266 0.000 2.343 131 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 131 V C 2.689 178.959 176.094 0.293 0.000 1.051 131 V CA 2.275 64.740 62.300 0.275 0.000 1.036 131 V CB -0.813 31.059 31.823 0.082 0.000 0.654 131 V HN 0.529 nan 8.190 nan 0.000 0.451 132 R N -0.217 120.394 120.500 0.185 0.000 2.061 132 R HA -0.064 4.276 4.340 -0.001 0.000 0.230 132 R C 2.296 178.729 176.300 0.222 0.000 1.140 132 R CA 1.450 57.653 56.100 0.171 0.000 0.940 132 R CB -0.607 29.759 30.300 0.111 0.000 0.839 132 R HN 0.402 nan 8.270 nan 0.000 0.429 133 L N 0.371 121.725 121.223 0.217 0.000 2.261 133 L HA -0.165 4.174 4.340 -0.001 0.000 0.216 133 L C 2.506 179.574 176.870 0.330 0.000 1.114 133 L CA 1.088 56.101 54.840 0.288 0.000 0.777 133 L CB -0.330 41.866 42.059 0.228 0.000 0.910 133 L HN 0.290 nan 8.230 nan 0.000 0.440 134 M N -1.648 118.122 119.600 0.284 0.000 2.325 134 M HA -0.019 4.460 4.480 -0.001 0.000 0.265 134 M C 1.076 177.277 176.300 -0.166 0.000 1.094 134 M CA 1.481 56.810 55.300 0.049 0.000 1.161 134 M CB 0.152 32.740 32.600 -0.020 0.000 1.358 134 M HN 0.101 nan 8.290 nan 0.000 0.446 135 F N 0.242 120.227 119.950 0.057 0.000 2.647 135 F HA 0.163 4.689 4.527 -0.001 0.000 0.300 135 F C 0.965 176.853 175.800 0.146 0.000 1.106 135 F CA -0.562 57.463 58.000 0.042 0.000 1.313 135 F CB 0.057 38.959 39.000 -0.164 0.000 1.007 135 F HN -0.059 nan 8.300 nan 0.000 0.536 136 S N -1.490 114.347 115.700 0.227 0.000 2.578 136 S HA 0.421 4.890 4.470 -0.001 0.000 0.301 136 S C -0.465 174.194 174.600 0.099 0.000 1.091 136 S CA -0.797 57.507 58.200 0.174 0.000 1.032 136 S CB 1.615 64.914 63.200 0.164 0.000 1.064 136 S HN 0.221 nan 8.310 nan 0.000 0.508 137 D N 0.567 121.001 120.400 0.056 0.000 2.828 137 D HA -0.120 4.519 4.640 -0.001 0.000 0.241 137 D C -0.882 175.421 176.300 0.004 0.000 1.142 137 D CA 0.724 54.738 54.000 0.023 0.000 0.755 137 D CB -1.398 39.423 40.800 0.035 0.000 1.014 137 D HN 0.596 nan 8.370 nan 0.000 0.420 138 L N 0.693 121.907 121.223 -0.016 0.000 2.289 138 L HA 0.266 4.606 4.340 -0.001 0.000 0.285 138 L C 0.967 177.814 176.870 -0.038 0.000 1.049 138 L CA -0.649 54.172 54.840 -0.031 0.000 0.804 138 L CB 1.266 43.300 42.059 -0.042 0.000 1.195 138 L HN -0.146 nan 8.230 nan 0.000 0.428 139 E N 3.808 123.989 120.200 -0.031 0.000 2.146 139 E HA 0.319 4.669 4.350 -0.001 0.000 0.282 139 E C -2.275 174.314 176.600 -0.019 0.000 0.989 139 E CA -1.990 54.395 56.400 -0.025 0.000 0.799 139 E CB 1.126 30.813 29.700 -0.021 0.000 1.088 139 E HN 0.256 nan 8.360 nan 0.000 0.397 140 P HA -0.021 nan 4.420 nan 0.000 0.266 140 P C -0.288 177.018 177.300 0.009 0.000 1.195 140 P CA -0.024 63.078 63.100 0.003 0.000 0.768 140 P CB 0.647 32.351 31.700 0.006 0.000 0.838 141 V N 0.386 120.312 119.914 0.021 0.000 3.105 141 V HA 0.794 4.914 4.120 -0.001 0.000 0.311 141 V C -2.847 173.264 176.094 0.027 0.000 1.287 141 V CA -2.977 59.334 62.300 0.018 0.000 1.066 141 V CB 1.350 33.182 31.823 0.016 0.000 1.105 141 V HN 0.203 nan 8.190 nan 0.000 0.462 142 P HA 0.342 nan 4.420 nan 0.000 0.275 142 P C -0.550 176.770 177.300 0.033 0.000 1.228 142 P CA -0.292 62.819 63.100 0.019 0.000 0.786 142 P CB 0.497 32.199 31.700 0.003 0.000 0.927 143 L N 3.287 124.527 121.223 0.029 0.000 2.401 143 L HA 0.112 4.452 4.340 -0.001 0.000 0.283 143 L C 0.267 177.169 176.870 0.054 0.000 1.151 143 L CA -0.362 54.501 54.840 0.039 0.000 0.942 143 L CB -0.213 41.854 42.059 0.014 0.000 1.283 143 L HN 0.171 nan 8.230 nan 0.000 0.442 144 K N 6.271 126.715 120.400 0.074 0.000 2.378 144 K HA 0.292 4.612 4.320 -0.001 0.000 0.288 144 K C -0.303 176.359 176.600 0.104 0.000 1.057 144 K CA -0.029 56.310 56.287 0.087 0.000 0.971 144 K CB 1.136 33.725 32.500 0.149 0.000 0.975 144 K HN 0.593 nan 8.250 nan 0.000 0.475 145 I N 3.461 124.093 120.570 0.102 0.000 2.331 145 I HA 0.149 4.318 4.170 -0.001 0.000 0.292 145 I C 0.693 176.851 176.117 0.068 0.000 0.998 145 I CA -1.018 60.362 61.300 0.134 0.000 1.267 145 I CB 1.140 39.235 38.000 0.158 0.000 1.386 145 I HN 0.332 nan 8.210 nan 0.000 0.476 146 R N 6.684 127.219 120.500 0.058 0.000 2.570 146 R HA 0.083 4.422 4.340 -0.001 0.000 0.277 146 R C -0.463 175.827 176.300 -0.017 0.000 1.039 146 R CA 0.339 56.443 56.100 0.007 0.000 1.065 146 R CB 0.337 30.646 30.300 0.015 0.000 0.964 146 R HN 0.434 nan 8.270 nan 0.000 0.428 147 K N 2.489 122.871 120.400 -0.031 0.000 2.237 147 K HA 0.275 4.595 4.320 -0.001 0.000 0.270 147 K C 0.829 177.394 176.600 -0.059 0.000 1.015 147 K CA 0.696 56.960 56.287 -0.039 0.000 0.949 147 K CB 0.844 33.326 32.500 -0.030 0.000 0.976 147 K HN 0.863 nan 8.250 nan 0.000 0.472 148 G N 0.947 109.706 108.800 -0.068 0.000 2.304 148 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.252 148 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.252 148 G C 0.210 175.063 174.900 -0.078 0.000 1.014 148 G CA 0.524 45.579 45.100 -0.075 0.000 0.619 148 G HN 0.729 nan 8.290 nan 0.000 0.525 149 S N 0.093 115.745 115.700 -0.080 0.000 2.579 149 S HA 0.604 5.073 4.470 -0.001 0.000 0.275 149 S C 0.470 175.005 174.600 -0.108 0.000 1.345 149 S CA 0.784 58.940 58.200 -0.073 0.000 1.031 149 S CB 1.817 64.986 63.200 -0.052 0.000 0.892 149 S HN 1.406 nan 8.310 nan 0.000 0.529 150 S N 0.121 115.777 115.700 -0.073 0.000 2.632 150 S HA 0.445 4.914 4.470 -0.001 0.000 0.271 150 S C 1.348 175.842 174.600 -0.177 0.000 1.260 150 S CA -0.081 58.064 58.200 -0.091 0.000 1.010 150 S CB 0.775 63.975 63.200 -0.001 0.000 0.965 150 S HN 1.029 nan 8.310 nan 0.000 0.534 151 T N -0.069 114.347 114.554 -0.230 0.000 3.044 151 T HA 0.201 4.550 4.350 -0.001 0.000 0.250 151 T C 1.185 175.699 174.700 -0.311 0.000 1.081 151 T CA 0.519 62.481 62.100 -0.230 0.000 1.040 151 T CB -1.392 67.358 68.868 -0.197 0.000 0.962 151 T HN 0.821 nan 8.240 nan 0.000 0.506 152 C N 0.678 119.616 119.300 -0.604 0.000 0.168 152 C HA -0.224 4.235 4.460 -0.001 0.000 0.017 152 C C 0.998 175.081 174.990 -1.512 0.000 0.171 152 C CA -0.947 57.236 59.018 -1.393 0.000 0.499 152 C CB -1.745 25.625 27.740 -0.617 0.000 3.212 152 C HN 0.718 nan 8.230 nan 0.000 1.118 153 I N 3.136 123.045 120.570 -1.101 0.000 2.742 153 I HA 0.087 4.257 4.170 -0.001 0.000 0.287 153 I C -1.264 174.574 176.117 -0.465 0.000 1.186 153 I CA -0.101 60.800 61.300 -0.664 0.000 1.417 153 I CB 0.413 38.166 38.000 -0.413 0.000 1.377 153 I HN 0.552 nan 8.210 nan 0.000 0.556 154 P HA 0.072 nan 4.420 nan 0.000 0.260 154 P C 0.819 177.945 177.300 -0.291 0.000 1.203 154 P CA 0.478 63.301 63.100 -0.462 0.000 0.866 154 P CB 0.309 31.686 31.700 -0.539 0.000 1.163 155 Y N -1.095 119.135 120.300 -0.116 0.000 2.420 155 Y HA 0.237 4.787 4.550 -0.001 0.000 0.292 155 Y C 0.666 176.622 175.900 0.094 0.000 1.119 155 Y CA -0.359 57.735 58.100 -0.010 0.000 1.229 155 Y CB -1.292 37.137 38.460 -0.052 0.000 1.026 155 Y HN -0.278 nan 8.280 nan 0.000 0.554 156 F N 0.434 120.401 119.950 0.028 0.000 3.027 156 F HA -0.264 4.263 4.527 -0.001 0.000 0.276 156 F C 0.757 176.544 175.800 -0.022 0.000 0.967 156 F CA 0.568 58.543 58.000 -0.041 0.000 0.929 156 F CB -1.560 37.398 39.000 -0.069 0.000 0.873 156 F HN -0.007 nan 8.300 nan 0.000 0.787 157 S N 0.830 116.573 115.700 0.071 0.000 2.651 157 S HA 0.711 5.181 4.470 -0.001 0.000 0.291 157 S C 0.418 174.989 174.600 -0.049 0.000 1.141 157 S CA -0.063 58.146 58.200 0.014 0.000 1.027 157 S CB 0.989 64.177 63.200 -0.020 0.000 1.043 157 S HN 0.418 nan 8.310 nan 0.000 0.530 158 N N 1.947 120.614 118.700 -0.054 0.000 2.628 158 N HA 0.138 4.878 4.740 -0.001 0.000 0.299 158 N C -1.621 173.838 175.510 -0.085 0.000 1.834 158 N CA -0.509 52.488 53.050 -0.088 0.000 0.871 158 N CB 0.277 38.725 38.487 -0.065 0.000 1.377 158 N HN 0.512 nan 8.380 nan 0.000 0.493 159 D N 1.080 121.427 120.400 -0.089 0.000 2.392 159 D HA 0.131 4.771 4.640 -0.001 0.000 0.228 159 D C 1.103 177.347 176.300 -0.094 0.000 1.074 159 D CA -0.468 53.484 54.000 -0.080 0.000 0.838 159 D CB 1.528 42.286 40.800 -0.069 0.000 1.067 159 D HN 0.005 nan 8.370 nan 0.000 0.511 160 M N 4.130 123.676 119.600 -0.089 0.000 2.108 160 M HA -0.085 4.395 4.480 -0.001 0.000 0.257 160 M C 1.755 178.017 176.300 -0.064 0.000 1.071 160 M CA 2.316 57.567 55.300 -0.082 0.000 1.093 160 M CB -0.750 31.797 32.600 -0.089 0.000 1.345 160 M HN 0.490 nan 8.290 nan 0.000 0.403 161 G N -1.780 106.978 108.800 -0.069 0.000 2.440 161 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 161 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 161 G C 1.434 176.308 174.900 -0.044 0.000 1.154 161 G CA 1.441 46.511 45.100 -0.051 0.000 0.767 161 G HN 0.522 nan 8.290 nan 0.000 0.552 162 T N 0.899 115.414 114.554 -0.065 0.000 2.737 162 T HA -0.044 4.305 4.350 -0.001 0.000 0.265 162 T C 2.354 177.018 174.700 -0.061 0.000 1.038 162 T CA 1.337 63.392 62.100 -0.074 0.000 1.144 162 T CB -0.133 68.678 68.868 -0.096 0.000 0.866 162 T HN 0.302 nan 8.240 nan 0.000 0.434 163 K N 0.842 121.182 120.400 -0.100 0.000 2.032 163 K HA -0.061 4.259 4.320 -0.001 0.000 0.209 163 K C 2.245 178.864 176.600 0.031 0.000 1.048 163 K CA 1.083 57.283 56.287 -0.144 0.000 0.927 163 K CB -0.426 31.888 32.500 -0.310 0.000 0.712 163 K HN 0.248 nan 8.250 nan 0.000 0.441 164 I N 2.127 122.722 120.570 0.041 0.000 2.118 164 I HA -0.280 3.890 4.170 -0.001 0.000 0.241 164 I C 2.340 178.504 176.117 0.078 0.000 1.070 164 I CA 1.638 62.991 61.300 0.089 0.000 1.327 164 I CB -1.153 36.900 38.000 0.088 0.000 1.034 164 I HN 0.294 nan 8.210 nan 0.000 0.405 165 E N 0.611 120.836 120.200 0.043 0.000 2.058 165 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 165 E C 2.342 178.974 176.600 0.055 0.000 0.997 165 E CA 1.403 57.822 56.400 0.031 0.000 0.801 165 E CB -0.136 29.563 29.700 -0.002 0.000 0.746 165 E HN 0.499 nan 8.360 nan 0.000 0.450 166 I N 1.048 121.667 120.570 0.082 0.000 2.163 166 I HA -0.288 3.882 4.170 -0.001 0.000 0.243 166 I C 2.663 178.871 176.117 0.152 0.000 1.085 166 I CA 1.092 62.476 61.300 0.140 0.000 1.347 166 I CB -0.508 37.626 38.000 0.223 0.000 1.044 166 I HN 0.051 nan 8.210 nan 0.000 0.408 167 A N 0.734 123.680 122.820 0.210 0.000 1.877 167 A HA -0.228 4.092 4.320 -0.001 0.000 0.216 167 A C 2.236 179.826 177.584 0.010 0.000 1.186 167 A CA 1.827 53.942 52.037 0.131 0.000 0.620 167 A CB -0.633 18.499 19.000 0.220 0.000 0.822 167 A HN 0.471 nan 8.150 nan 0.000 0.443 168 E N -0.970 119.249 120.200 0.032 0.000 2.031 168 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 168 E C 2.293 178.893 176.600 -0.000 0.000 0.994 168 E CA 1.287 57.689 56.400 0.004 0.000 0.800 168 E CB -0.204 29.509 29.700 0.023 0.000 0.752 168 E HN 0.471 nan 8.360 nan 0.000 0.447 169 R N 1.524 122.038 120.500 0.023 0.000 2.103 169 R HA -0.184 4.155 4.340 -0.001 0.000 0.242 169 R C 2.010 178.322 176.300 0.020 0.000 1.142 169 R CA 1.908 58.027 56.100 0.032 0.000 0.960 169 R CB -0.860 29.472 30.300 0.052 0.000 0.858 169 R HN 0.173 nan 8.270 nan 0.000 0.439 170 A N 0.690 123.513 122.820 0.005 0.000 1.865 170 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 170 A C 2.315 179.855 177.584 -0.074 0.000 1.191 170 A CA 1.728 53.747 52.037 -0.030 0.000 0.623 170 A CB -0.794 18.167 19.000 -0.065 0.000 0.826 170 A HN 0.376 nan 8.150 nan 0.000 0.444 171 L N -0.814 120.305 121.223 -0.174 0.000 2.261 171 L HA -0.212 4.128 4.340 -0.001 0.000 0.216 171 L C 2.498 179.413 176.870 0.075 0.000 1.114 171 L CA 1.378 56.037 54.840 -0.302 0.000 0.777 171 L CB -0.644 41.146 42.059 -0.448 0.000 0.910 171 L HN 0.556 nan 8.230 nan 0.000 0.440 172 E N 0.108 120.324 120.200 0.028 0.000 2.011 172 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 172 E C 1.524 178.104 176.600 -0.033 0.000 0.980 172 E CA 0.656 57.075 56.400 0.033 0.000 0.814 172 E CB 0.200 29.909 29.700 0.014 0.000 0.775 172 E HN 0.159 nan 8.360 nan 0.000 0.454 173 K N 0.559 120.905 120.400 -0.090 0.000 2.522 173 K HA 0.147 4.467 4.320 -0.001 0.000 0.194 173 K C 1.282 177.665 176.600 -0.362 0.000 1.026 173 K CA 0.150 56.273 56.287 -0.273 0.000 1.119 173 K CB 0.443 32.739 32.500 -0.339 0.000 0.856 173 K HN 0.088 nan 8.250 nan 0.000 0.513 174 A N 1.197 123.938 122.820 -0.131 0.000 1.902 174 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 174 A C 2.218 179.682 177.584 -0.200 0.000 1.181 174 A CA 1.691 53.738 52.037 0.017 0.000 0.623 174 A CB -0.245 19.015 19.000 0.433 0.000 0.818 174 A HN 0.460 nan 8.150 nan 0.000 0.443 175 E N -0.228 119.524 120.200 -0.747 0.000 2.051 175 E HA -0.251 4.098 4.350 -0.001 0.000 0.192 175 E C 1.958 178.103 176.600 -0.757 0.000 0.991 175 E CA 1.381 56.816 56.400 -1.609 0.000 0.799 175 E CB -0.217 28.467 29.700 -1.693 0.000 0.748 175 E HN 0.703 nan 8.360 nan 0.000 0.449 176 E N -0.389 119.506 120.200 -0.507 0.000 2.130 176 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 176 E C 1.784 178.241 176.600 -0.238 0.000 0.998 176 E CA 1.275 57.479 56.400 -0.327 0.000 0.806 176 E CB -0.117 29.403 29.700 -0.300 0.000 0.738 176 E HN 0.401 nan 8.360 nan 0.000 0.459 177 A N 0.120 122.778 122.820 -0.270 0.000 1.903 177 A HA 0.054 4.373 4.320 -0.001 0.000 0.213 177 A C 2.382 179.948 177.584 -0.031 0.000 1.185 177 A CA 1.185 53.154 52.037 -0.112 0.000 0.628 177 A CB -0.951 17.987 19.000 -0.102 0.000 0.830 177 A HN 0.413 nan 8.150 nan 0.000 0.446 178 G N 0.444 109.275 108.800 0.052 0.000 2.476 178 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.218 178 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.218 178 G C 1.421 176.384 174.900 0.105 0.000 1.164 178 G CA 1.225 46.431 45.100 0.178 0.000 0.768 178 G HN 0.493 nan 8.290 nan 0.000 0.560 179 N N 0.332 119.069 118.700 0.062 0.000 2.149 179 N HA -0.032 4.708 4.740 -0.001 0.000 0.188 179 N C 2.267 177.757 175.510 -0.033 0.000 1.019 179 N CA 0.651 53.718 53.050 0.028 0.000 0.857 179 N CB -0.327 38.142 38.487 -0.030 0.000 0.997 179 N HN 0.308 nan 8.380 nan 0.000 0.426 180 L N 0.399 121.583 121.223 -0.065 0.000 2.093 180 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 180 L C 2.333 179.073 176.870 -0.218 0.000 1.085 180 L CA 0.874 55.657 54.840 -0.095 0.000 0.755 180 L CB -0.200 41.828 42.059 -0.053 0.000 0.904 180 L HN 0.162 nan 8.230 nan 0.000 0.435 181 M N -0.978 118.441 119.600 -0.302 0.000 2.175 181 M HA -0.223 4.257 4.480 -0.001 0.000 0.264 181 M C 2.220 178.250 176.300 -0.450 0.000 1.063 181 M CA 1.637 56.525 55.300 -0.688 0.000 1.119 181 M CB -0.326 31.969 32.600 -0.508 0.000 1.377 181 M HN 0.248 nan 8.290 nan 0.000 0.415 182 L N -0.270 120.855 121.223 -0.163 0.000 2.131 182 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 182 L C 2.116 178.956 176.870 -0.049 0.000 1.092 182 L CA 1.306 56.116 54.840 -0.049 0.000 0.759 182 L CB -0.622 41.452 42.059 0.025 0.000 0.903 182 L HN 0.401 nan 8.230 nan 0.000 0.435 183 Q N -0.366 119.387 119.800 -0.077 0.000 2.482 183 Q HA 0.046 4.386 4.340 -0.001 0.000 0.209 183 Q C 1.474 177.445 176.000 -0.048 0.000 0.961 183 Q CA 0.579 56.356 55.803 -0.044 0.000 0.945 183 Q CB 0.293 29.008 28.738 -0.037 0.000 1.012 183 Q HN 0.611 nan 8.270 nan 0.000 0.515 184 G N 1.535 110.259 108.800 -0.127 0.000 2.176 184 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.253 184 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.253 184 G C -0.052 174.827 174.900 -0.034 0.000 0.979 184 G CA -0.080 44.999 45.100 -0.035 0.000 0.641 184 G HN 0.292 nan 8.290 nan 0.000 0.530 185 K N 0.637 120.949 120.400 -0.147 0.000 2.187 185 K HA 0.473 4.792 4.320 -0.001 0.000 0.242 185 K C 0.583 177.127 176.600 -0.092 0.000 1.179 185 K CA -0.559 55.696 56.287 -0.053 0.000 1.097 185 K CB -0.114 32.365 32.500 -0.034 0.000 1.634 185 K HN 0.238 nan 8.250 nan 0.000 0.335 186 F N 0.887 120.860 119.950 0.039 0.000 2.293 186 F HA -0.094 4.433 4.527 -0.001 0.000 0.297 186 F C 1.755 177.590 175.800 0.059 0.000 1.089 186 F CA 0.928 58.953 58.000 0.040 0.000 1.377 186 F CB 0.181 39.188 39.000 0.012 0.000 1.051 186 F HN 0.373 nan 8.300 nan 0.000 0.511 187 D N 0.178 120.707 120.400 0.216 0.000 2.117 187 D HA -0.148 4.492 4.640 -0.001 0.000 0.198 187 D C 1.795 178.183 176.300 0.146 0.000 0.982 187 D CA 1.182 55.282 54.000 0.166 0.000 0.828 187 D CB -0.396 40.469 40.800 0.108 0.000 0.967 187 D HN 0.158 nan 8.370 nan 0.000 0.464 188 D N 0.424 120.879 120.400 0.093 0.000 2.149 188 D HA -0.117 4.522 4.640 -0.001 0.000 0.198 188 D C 1.921 178.259 176.300 0.064 0.000 0.990 188 D CA 1.145 55.177 54.000 0.053 0.000 0.839 188 D CB -0.111 40.706 40.800 0.028 0.000 0.948 188 D HN 0.142 nan 8.370 nan 0.000 0.460 189 A N -0.268 122.610 122.820 0.096 0.000 1.929 189 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 189 A C 2.119 179.802 177.584 0.165 0.000 1.176 189 A CA 0.938 53.058 52.037 0.139 0.000 0.628 189 A CB -0.733 18.317 19.000 0.083 0.000 0.816 189 A HN 0.336 nan 8.150 nan 0.000 0.444 190 Y N 0.361 120.682 120.300 0.034 0.000 2.286 190 Y HA -0.083 4.466 4.550 -0.001 0.000 0.293 190 Y C 2.323 178.191 175.900 -0.054 0.000 1.124 190 Y CA 1.987 60.082 58.100 -0.009 0.000 1.178 190 Y CB -0.272 38.176 38.460 -0.020 0.000 1.010 190 Y HN 0.391 nan 8.280 nan 0.000 0.536 191 Q N -0.225 119.523 119.800 -0.087 0.000 2.230 191 Q HA -0.057 4.283 4.340 -0.001 0.000 0.202 191 Q C 1.992 177.838 176.000 -0.257 0.000 0.963 191 Q CA 1.390 57.078 55.803 -0.192 0.000 0.866 191 Q CB 0.078 28.793 28.738 -0.038 0.000 0.931 191 Q HN 0.493 nan 8.270 nan 0.000 0.452 192 L N -0.965 120.087 121.223 -0.284 0.000 2.354 192 L HA 0.021 4.361 4.340 -0.001 0.000 0.212 192 L C 1.031 177.385 176.870 -0.859 0.000 1.091 192 L CA 0.632 55.130 54.840 -0.570 0.000 0.828 192 L CB 0.221 41.874 42.059 -0.677 0.000 0.973 192 L HN 0.369 nan 8.230 nan 0.000 0.461 193 H N -1.258 117.747 119.070 -0.109 0.000 3.480 193 H HA 0.158 4.714 4.556 -0.001 0.000 0.257 193 H C -0.117 175.134 175.328 -0.129 0.000 1.196 193 H CA -0.185 55.813 56.048 -0.084 0.000 1.100 193 H CB 0.708 30.445 29.762 -0.041 0.000 1.683 193 H HN 0.053 nan 8.280 nan 0.000 0.702 194 Q N 0.524 120.182 119.800 -0.238 0.000 2.451 194 Q HA -0.180 4.160 4.340 -0.001 0.000 0.305 194 Q C -0.454 175.513 176.000 -0.055 0.000 1.345 194 Q CA 0.806 56.368 55.803 -0.402 0.000 0.854 194 Q CB -1.880 26.614 28.738 -0.407 0.000 1.162 194 Q HN 0.501 nan 8.270 nan 0.000 0.440 195 M N -0.189 119.470 119.600 0.099 0.000 2.043 195 M HA 0.607 5.087 4.480 -0.001 0.000 0.322 195 M C 0.754 177.177 176.300 0.206 0.000 0.962 195 M CA 0.190 55.566 55.300 0.125 0.000 0.927 195 M CB 1.615 34.273 32.600 0.096 0.000 1.466 195 M HN 0.445 nan 8.290 nan 0.000 0.412 196 G N 1.214 110.089 108.800 0.125 0.000 2.297 196 G HA2 0.325 4.285 3.960 -0.001 0.000 0.209 196 G HA3 0.325 4.285 3.960 -0.001 0.000 0.209 196 G C -0.029 174.766 174.900 -0.176 0.000 1.267 196 G CA -0.243 44.872 45.100 0.025 0.000 1.127 196 G HN 1.217 nan 8.290 nan 0.000 0.498 197 G N -0.575 107.946 108.800 -0.464 0.000 3.127 197 G HA2 0.422 4.382 3.960 -0.001 0.000 0.280 197 G HA3 0.422 4.382 3.960 -0.001 0.000 0.280 197 G C 0.821 175.507 174.900 -0.356 0.000 1.491 197 G CA 2.349 47.029 45.100 -0.699 0.000 1.029 197 G HN 3.036 nan 8.290 nan 0.000 0.582 198 A N -2.048 120.600 122.820 -0.287 0.000 2.586 198 A HA 0.704 5.024 4.320 -0.001 0.000 0.291 198 A C -1.003 176.488 177.584 -0.155 0.000 1.062 198 A CA -0.217 51.734 52.037 -0.143 0.000 0.666 198 A CB 0.323 19.316 19.000 -0.012 0.000 1.281 198 A HN 1.429 nan 8.150 nan 0.000 0.421 199 Y N -0.461 119.857 120.300 0.031 0.000 2.300 199 Y HA 0.446 4.996 4.550 -0.001 0.000 0.328 199 Y C -0.116 175.899 175.900 0.191 0.000 1.270 199 Y CA 0.869 59.011 58.100 0.069 0.000 1.352 199 Y CB 0.827 39.302 38.460 0.025 0.000 1.286 199 Y HN 0.635 nan 8.280 nan 0.000 0.536 200 Y N 1.271 121.722 120.300 0.253 0.000 2.345 200 Y HA 0.483 5.032 4.550 -0.001 0.000 0.331 200 Y C -0.963 175.058 175.900 0.201 0.000 0.959 200 Y CA -1.158 57.119 58.100 0.295 0.000 1.204 200 Y CB 0.726 39.393 38.460 0.345 0.000 1.135 200 Y HN 0.308 nan 8.280 nan 0.000 0.477 201 V N 8.613 128.391 119.914 -0.227 0.000 2.276 201 V HA 0.129 4.249 4.120 -0.001 0.000 0.249 201 V C 0.413 176.198 176.094 -0.516 0.000 1.160 201 V CA -0.297 61.796 62.300 -0.346 0.000 1.042 201 V CB -0.836 30.757 31.823 -0.383 0.000 1.224 201 V HN 0.666 nan 8.190 nan 0.000 0.496 202 V N 2.546 122.270 119.914 -0.316 0.000 3.641 202 V HA 0.494 4.614 4.120 -0.001 0.000 0.286 202 V C -0.611 175.192 176.094 -0.485 0.000 1.027 202 V CA -0.574 61.595 62.300 -0.218 0.000 1.032 202 V CB 0.530 32.379 31.823 0.043 0.000 1.238 202 V HN 0.517 nan 8.190 nan 0.000 0.439 203 Y N 0.088 120.360 120.300 -0.047 0.000 2.349 203 Y HA 0.570 5.120 4.550 -0.001 0.000 0.324 203 Y C 0.494 176.356 175.900 -0.064 0.000 1.005 203 Y CA -0.729 57.328 58.100 -0.071 0.000 1.240 203 Y CB 1.263 39.659 38.460 -0.107 0.000 1.117 203 Y HN 0.544 nan 8.280 nan 0.000 0.463 204 R N 1.564 122.097 120.500 0.055 0.000 2.679 204 R HA 0.656 4.996 4.340 -0.001 0.000 0.269 204 R C -0.114 176.155 176.300 -0.051 0.000 1.076 204 R CA -0.333 55.759 56.100 -0.012 0.000 1.160 204 R CB 0.919 31.212 30.300 -0.010 0.000 1.054 204 R HN 0.727 nan 8.270 nan 0.000 0.507 205 A N 1.474 124.204 122.820 -0.150 0.000 2.303 205 A HA 0.244 4.564 4.320 -0.001 0.000 0.317 205 A C -0.439 177.064 177.584 -0.135 0.000 1.149 205 A CA -0.405 51.545 52.037 -0.145 0.000 0.822 205 A CB 1.017 19.899 19.000 -0.195 0.000 1.131 205 A HN 0.645 nan 8.150 nan 0.000 0.493 206 Q N 1.498 121.227 119.800 -0.118 0.000 2.394 206 Q HA 0.320 4.659 4.340 -0.001 0.000 0.261 206 Q C 0.148 176.053 176.000 -0.159 0.000 1.023 206 Q CA -0.058 55.674 55.803 -0.119 0.000 0.720 206 Q CB 1.107 29.785 28.738 -0.100 0.000 1.241 206 Q HN 0.862 nan 8.270 nan 0.000 0.483 207 S N 1.087 116.708 115.700 -0.130 0.000 2.593 207 S HA 0.023 4.492 4.470 -0.001 0.000 0.217 207 S C 0.551 175.063 174.600 -0.147 0.000 0.966 207 S CA 0.382 58.502 58.200 -0.134 0.000 0.914 207 S CB 0.038 63.225 63.200 -0.022 0.000 0.776 207 S HN 0.589 nan 8.310 nan 0.000 0.523 208 T N -0.255 114.226 114.554 -0.121 0.000 3.624 208 T HA 0.360 4.709 4.350 -0.001 0.000 0.244 208 T C -0.766 173.920 174.700 -0.023 0.000 1.063 208 T CA -0.728 61.368 62.100 -0.007 0.000 1.252 208 T CB 0.282 69.175 68.868 0.041 0.000 1.021 208 T HN 0.059 nan 8.240 nan 0.000 0.590 209 D N 1.812 122.142 120.400 -0.116 0.000 2.398 209 D HA 0.586 5.225 4.640 -0.001 0.000 0.247 209 D C 0.542 176.897 176.300 0.092 0.000 1.227 209 D CA -0.381 53.596 54.000 -0.039 0.000 0.980 209 D CB 1.041 41.781 40.800 -0.101 0.000 1.106 209 D HN 0.543 nan 8.370 nan 0.000 0.493 210 A N 0.854 123.699 122.820 0.041 0.000 2.462 210 A HA 0.471 4.791 4.320 -0.001 0.000 0.243 210 A C -0.059 177.538 177.584 0.022 0.000 1.076 210 A CA 0.132 52.194 52.037 0.043 0.000 0.773 210 A CB -0.045 18.962 19.000 0.012 0.000 1.010 210 A HN 0.481 nan 8.150 nan 0.000 0.493 211 I N 1.243 121.837 120.570 0.040 0.000 2.686 211 I HA 0.475 4.644 4.170 -0.001 0.000 0.295 211 I C -0.089 176.081 176.117 0.087 0.000 1.114 211 I CA -0.529 60.753 61.300 -0.031 0.000 1.038 211 I CB 2.817 40.751 38.000 -0.110 0.000 1.238 211 I HN 0.764 nan 8.210 nan 0.000 0.420 212 T N 2.400 116.976 114.554 0.037 0.000 2.916 212 T HA 0.667 5.017 4.350 -0.001 0.000 0.292 212 T C -0.977 173.739 174.700 0.027 0.000 1.055 212 T CA -0.771 61.382 62.100 0.088 0.000 1.009 212 T CB 2.431 71.335 68.868 0.060 0.000 1.118 212 T HN 0.337 nan 8.240 nan 0.000 0.497 213 L N 2.073 123.287 121.223 -0.015 0.000 2.337 213 L HA 0.448 4.787 4.340 -0.001 0.000 0.269 213 L C -0.531 176.281 176.870 -0.098 0.000 1.018 213 L CA -0.540 54.197 54.840 -0.172 0.000 0.876 213 L CB 0.517 42.370 42.059 -0.343 0.000 1.236 213 L HN 0.766 nan 8.230 nan 0.000 0.436 214 D N 6.354 126.697 120.400 -0.095 0.000 2.472 214 D HA 0.063 4.703 4.640 -0.001 0.000 0.248 214 D C -1.727 174.531 176.300 -0.069 0.000 1.174 214 D CA -1.127 52.840 54.000 -0.056 0.000 0.883 214 D CB 1.827 42.599 40.800 -0.047 0.000 1.149 214 D HN 0.392 nan 8.370 nan 0.000 0.488 215 P HA -0.134 nan 4.420 nan 0.000 0.217 215 P C 1.283 178.561 177.300 -0.037 0.000 1.150 215 P CA 1.043 64.124 63.100 -0.032 0.000 0.832 215 P CB 0.374 32.069 31.700 -0.008 0.000 0.787 216 K N -0.371 120.011 120.400 -0.029 0.000 1.971 216 K HA -0.101 4.219 4.320 -0.001 0.000 0.221 216 K C 2.058 178.634 176.600 -0.040 0.000 1.050 216 K CA 2.023 58.294 56.287 -0.027 0.000 0.967 216 K CB -1.919 30.569 32.500 -0.019 0.000 0.733 216 K HN 0.175 nan 8.250 nan 0.000 0.445 217 T N -0.404 114.122 114.554 -0.047 0.000 2.788 217 T HA -0.061 4.289 4.350 -0.001 0.000 0.268 217 T C 1.550 176.199 174.700 -0.085 0.000 1.044 217 T CA 1.725 63.792 62.100 -0.055 0.000 1.139 217 T CB -0.538 68.301 68.868 -0.049 0.000 0.867 217 T HN 0.595 nan 8.240 nan 0.000 0.454 218 G N 1.213 109.939 108.800 -0.123 0.000 2.220 218 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.269 218 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.269 218 G C 0.219 174.956 174.900 -0.272 0.000 0.977 218 G CA 0.404 45.398 45.100 -0.177 0.000 0.634 218 G HN 0.435 nan 8.290 nan 0.000 0.539 219 K N -0.265 120.005 120.400 -0.216 0.000 2.095 219 K HA 0.678 4.998 4.320 -0.001 0.000 0.252 219 K C 0.072 176.528 176.600 -0.240 0.000 0.977 219 K CA -0.907 55.258 56.287 -0.202 0.000 0.900 219 K CB 0.646 33.114 32.500 -0.054 0.000 1.060 219 K HN 0.031 nan 8.250 nan 0.000 0.449 220 F N 0.148 120.097 119.950 -0.002 0.000 2.382 220 F HA 0.235 4.762 4.527 -0.001 0.000 0.331 220 F C 0.527 176.417 175.800 0.151 0.000 1.121 220 F CA -0.497 57.519 58.000 0.026 0.000 1.183 220 F CB 0.856 39.903 39.000 0.080 0.000 1.207 220 F HN -0.059 nan 8.300 nan 0.000 0.555 221 V N 2.145 122.198 119.914 0.231 0.000 2.462 221 V HA 0.230 4.349 4.120 -0.001 0.000 0.288 221 V C -0.540 175.365 176.094 -0.315 0.000 1.020 221 V CA -1.043 61.253 62.300 -0.007 0.000 0.857 221 V CB 1.477 33.296 31.823 -0.007 0.000 1.013 221 V HN 0.845 nan 8.190 nan 0.000 0.431 222 S N 4.079 119.293 115.700 -0.810 0.000 2.572 222 S HA 0.301 4.770 4.470 -0.001 0.000 0.279 222 S C -0.065 174.339 174.600 -0.326 0.000 1.341 222 S CA -0.384 57.309 58.200 -0.844 0.000 1.043 222 S CB 0.695 63.230 63.200 -1.108 0.000 0.887 222 S HN 0.731 nan 8.310 nan 0.000 0.516 223 K N 1.132 121.413 120.400 -0.199 0.000 2.368 223 K HA 0.073 4.393 4.320 -0.001 0.000 0.282 223 K C -0.808 175.742 176.600 -0.082 0.000 1.035 223 K CA -0.326 55.901 56.287 -0.100 0.000 0.973 223 K CB 0.154 32.620 32.500 -0.057 0.000 0.957 223 K HN 0.598 nan 8.250 nan 0.000 0.474 224 D N 3.142 123.509 120.400 -0.055 0.000 2.389 224 D HA 0.122 4.762 4.640 -0.001 0.000 0.247 224 D C -0.419 175.858 176.300 -0.039 0.000 1.128 224 D CA 0.355 54.333 54.000 -0.037 0.000 0.884 224 D CB 0.671 41.461 40.800 -0.017 0.000 1.194 224 D HN 0.297 nan 8.370 nan 0.000 0.441 225 R N 3.114 123.587 120.500 -0.045 0.000 2.468 225 R HA 0.264 4.604 4.340 -0.001 0.000 0.302 225 R C -0.206 176.034 176.300 -0.100 0.000 1.041 225 R CA -0.713 55.349 56.100 -0.062 0.000 0.899 225 R CB 1.080 31.345 30.300 -0.059 0.000 1.167 225 R HN 0.404 nan 8.270 nan 0.000 0.483 226 M N 2.360 121.891 119.600 -0.114 0.000 2.226 226 M HA 0.311 4.791 4.480 -0.001 0.000 0.324 226 M C 0.688 176.828 176.300 -0.267 0.000 1.112 226 M CA -0.278 54.910 55.300 -0.187 0.000 1.176 226 M CB 0.586 33.097 32.600 -0.147 0.000 1.430 226 M HN 0.347 nan 8.290 nan 0.000 0.462 227 V N -1.577 118.074 119.914 -0.439 0.000 3.232 227 V HA 0.957 5.077 4.120 -0.001 0.000 0.303 227 V C -1.010 174.778 176.094 -0.510 0.000 1.311 227 V CA -1.393 60.648 62.300 -0.433 0.000 1.061 227 V CB 1.489 33.056 31.823 -0.428 0.000 1.085 227 V HN 0.967 nan 8.190 nan 0.000 0.447 228 A N 1.556 124.198 122.820 -0.297 0.000 2.303 228 A HA 0.730 5.049 4.320 -0.001 0.000 0.320 228 A C -0.233 177.388 177.584 0.062 0.000 1.192 228 A CA -0.411 51.498 52.037 -0.214 0.000 0.821 228 A CB 0.424 19.311 19.000 -0.189 0.000 1.188 228 A HN 1.110 nan 8.150 nan 0.000 0.492 229 D N 1.843 122.346 120.400 0.171 0.000 2.382 229 D HA -0.037 4.603 4.640 -0.001 0.000 0.240 229 D C 0.958 177.214 176.300 -0.073 0.000 1.146 229 D CA -0.433 53.672 54.000 0.175 0.000 0.897 229 D CB 0.395 41.353 40.800 0.263 0.000 1.197 229 D HN 0.441 nan 8.370 nan 0.000 0.432 230 F N 1.025 120.576 119.950 -0.664 0.000 2.082 230 F HA -0.335 4.192 4.527 -0.001 0.000 0.298 230 F C 2.030 177.621 175.800 -0.348 0.000 1.091 230 F CA 2.137 59.578 58.000 -0.932 0.000 1.230 230 F CB 0.039 38.334 39.000 -1.175 0.000 0.983 230 F HN 0.330 nan 8.300 nan 0.000 0.485 231 E N -0.590 119.501 120.200 -0.182 0.000 2.085 231 E HA -0.292 4.058 4.350 -0.001 0.000 0.194 231 E C 2.119 178.613 176.600 -0.177 0.000 0.994 231 E CA 1.758 58.038 56.400 -0.199 0.000 0.801 231 E CB -0.919 28.777 29.700 -0.007 0.000 0.743 231 E HN 0.696 nan 8.360 nan 0.000 0.453 232 Y N 0.909 121.115 120.300 -0.157 0.000 2.165 232 Y HA -0.297 4.253 4.550 -0.001 0.000 0.286 232 Y C 2.304 178.117 175.900 -0.143 0.000 1.155 232 Y CA 1.834 59.871 58.100 -0.105 0.000 1.164 232 Y CB -0.068 38.371 38.460 -0.035 0.000 0.978 232 Y HN 0.057 nan 8.280 nan 0.000 0.513 233 A N -0.599 122.264 122.820 0.072 0.000 1.897 233 A HA -0.145 4.175 4.320 -0.001 0.000 0.215 233 A C 2.151 179.665 177.584 -0.116 0.000 1.181 233 A CA 1.861 53.918 52.037 0.035 0.000 0.620 233 A CB -1.381 17.678 19.000 0.098 0.000 0.821 233 A HN 0.423 nan 8.150 nan 0.000 0.443 234 V N -1.756 117.942 119.914 -0.360 0.000 2.759 234 V HA -0.094 4.026 4.120 -0.001 0.000 0.256 234 V C 1.942 177.911 176.094 -0.209 0.000 1.080 234 V CA 2.029 64.122 62.300 -0.345 0.000 1.101 234 V CB -1.711 29.746 31.823 -0.610 0.000 0.698 234 V HN 0.692 nan 8.190 nan 0.000 0.477 235 T N -3.385 111.048 114.554 -0.202 0.000 3.129 235 T HA 0.470 4.820 4.350 -0.001 0.000 0.267 235 T C 1.547 176.152 174.700 -0.159 0.000 1.018 235 T CA 0.512 62.512 62.100 -0.166 0.000 0.903 235 T CB 0.165 68.923 68.868 -0.183 0.000 1.067 235 T HN 1.294 nan 8.240 nan 0.000 0.549 236 G N 0.861 109.595 108.800 -0.111 0.000 2.225 236 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.272 236 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.272 236 G C 1.058 175.863 174.900 -0.160 0.000 0.996 236 G CA 0.575 45.634 45.100 -0.067 0.000 0.710 236 G HN 1.882 nan 8.290 nan 0.000 0.522 237 G N -1.960 106.565 108.800 -0.458 0.000 2.227 237 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.168 237 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.168 237 G C 0.804 175.337 174.900 -0.612 0.000 1.006 237 G CA 0.989 45.523 45.100 -0.944 0.000 0.684 237 G HN 0.487 nan 8.290 nan 0.000 0.489 238 E N 0.595 120.580 120.200 -0.358 0.000 1.998 238 E HA -0.028 4.322 4.350 -0.001 0.000 0.196 238 E C 1.725 178.196 176.600 -0.214 0.000 1.003 238 E CA 1.284 57.551 56.400 -0.221 0.000 0.829 238 E CB -0.186 29.425 29.700 -0.148 0.000 0.777 238 E HN 0.624 nan 8.360 nan 0.000 0.460 239 Q N -0.806 118.877 119.800 -0.195 0.000 2.315 239 Q HA 0.470 4.809 4.340 -0.001 0.000 0.166 239 Q C 0.276 176.178 176.000 -0.162 0.000 1.056 239 Q CA 0.425 56.145 55.803 -0.137 0.000 1.061 239 Q CB 0.024 28.708 28.738 -0.089 0.000 1.981 239 Q HN 0.415 nan 8.270 nan 0.000 0.530 240 G N -0.220 108.553 108.800 -0.045 0.000 2.880 240 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.617 240 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.617 240 G C -0.556 174.471 174.900 0.212 0.000 1.493 240 G CA -0.140 45.007 45.100 0.078 0.000 0.916 240 G HN 0.990 nan 8.290 nan 0.000 0.553 241 S N -1.069 114.838 115.700 0.346 0.000 2.600 241 S HA 0.765 5.234 4.470 -0.001 0.000 0.300 241 S C -0.620 174.204 174.600 0.373 0.000 1.087 241 S CA -0.678 57.751 58.200 0.382 0.000 0.965 241 S CB 2.364 65.703 63.200 0.232 0.000 1.089 241 S HN 1.722 nan 8.310 nan 0.000 0.496 242 L N 3.165 124.517 121.223 0.216 0.000 2.337 242 L HA 0.651 4.990 4.340 -0.001 0.000 0.269 242 L C -1.220 175.675 176.870 0.040 0.000 1.018 242 L CA -0.601 54.166 54.840 -0.122 0.000 0.876 242 L CB 0.119 42.001 42.059 -0.294 0.000 1.236 242 L HN 0.772 nan 8.230 nan 0.000 0.436 243 F N 3.161 123.073 119.950 -0.062 0.000 2.594 243 F HA 0.963 5.489 4.527 -0.001 0.000 0.335 243 F C 0.023 175.807 175.800 -0.026 0.000 1.058 243 F CA -1.190 56.795 58.000 -0.025 0.000 0.981 243 F CB 0.671 39.669 39.000 -0.003 0.000 1.289 243 F HN 0.370 nan 8.300 nan 0.000 0.490 244 A N 1.043 123.943 122.820 0.133 0.000 2.327 244 A HA 0.747 5.067 4.320 -0.001 0.000 0.283 244 A C -0.071 177.579 177.584 0.111 0.000 1.127 244 A CA -0.180 51.872 52.037 0.024 0.000 0.810 244 A CB -0.138 18.896 19.000 0.057 0.000 1.066 244 A HN 1.346 nan 8.150 nan 0.000 0.492 245 A N 1.388 124.201 122.820 -0.011 0.000 2.286 245 A HA 0.592 4.911 4.320 -0.001 0.000 0.286 245 A C 0.614 178.256 177.584 0.097 0.000 1.097 245 A CA -0.025 52.050 52.037 0.063 0.000 0.821 245 A CB 0.378 19.368 19.000 -0.016 0.000 1.076 245 A HN 1.219 nan 8.150 nan 0.000 0.490 246 S N -0.090 115.683 115.700 0.122 0.000 2.411 246 S HA 0.235 4.705 4.470 -0.001 0.000 0.294 246 S C 0.721 175.396 174.600 0.125 0.000 1.115 246 S CA -0.534 57.736 58.200 0.116 0.000 1.071 246 S CB 0.044 63.310 63.200 0.110 0.000 0.967 246 S HN 0.594 nan 8.310 nan 0.000 0.488 247 K N 2.484 122.969 120.400 0.142 0.000 2.426 247 K HA 0.031 4.351 4.320 -0.001 0.000 0.193 247 K C 0.261 177.041 176.600 0.299 0.000 1.028 247 K CA -0.106 56.306 56.287 0.207 0.000 1.047 247 K CB 0.044 32.650 32.500 0.177 0.000 0.821 247 K HN 0.609 nan 8.250 nan 0.000 0.513 248 D N 1.430 121.977 120.400 0.246 0.000 2.570 248 D HA -0.101 4.538 4.640 -0.001 0.000 0.243 248 D C 0.310 176.690 176.300 0.134 0.000 1.171 248 D CA 0.159 54.283 54.000 0.207 0.000 0.879 248 D CB 0.865 41.746 40.800 0.136 0.000 1.143 248 D HN 0.205 nan 8.370 nan 0.000 0.511 249 A N 3.340 126.213 122.820 0.087 0.000 2.307 249 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 249 A C 2.084 179.653 177.584 -0.024 0.000 1.228 249 A CA -0.073 51.987 52.037 0.038 0.000 0.857 249 A CB 0.190 19.212 19.000 0.037 0.000 0.897 249 A HN 0.510 nan 8.150 nan 0.000 0.495 250 S N 0.962 116.653 115.700 -0.015 0.000 2.368 250 S HA -0.186 4.283 4.470 -0.001 0.000 0.224 250 S C 2.049 176.628 174.600 -0.035 0.000 1.029 250 S CA 1.457 59.638 58.200 -0.031 0.000 0.988 250 S CB -0.334 62.855 63.200 -0.018 0.000 0.838 250 S HN 0.880 nan 8.310 nan 0.000 0.462 251 R N 1.551 122.039 120.500 -0.019 0.000 2.261 251 R HA -0.029 4.311 4.340 -0.001 0.000 0.236 251 R C 1.841 178.124 176.300 -0.028 0.000 1.141 251 R CA 1.065 57.152 56.100 -0.021 0.000 1.001 251 R CB -0.803 29.495 30.300 -0.004 0.000 0.866 251 R HN 0.322 nan 8.270 nan 0.000 0.468 252 L N 0.732 121.912 121.223 -0.071 0.000 2.046 252 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 252 L C 2.641 179.470 176.870 -0.069 0.000 1.077 252 L CA 1.667 56.415 54.840 -0.153 0.000 0.747 252 L CB -0.360 41.492 42.059 -0.344 0.000 0.896 252 L HN 0.241 nan 8.230 nan 0.000 0.432 253 K N 0.747 121.106 120.400 -0.067 0.000 1.973 253 K HA -0.184 4.135 4.320 -0.001 0.000 0.210 253 K C 1.792 178.368 176.600 -0.039 0.000 1.045 253 K CA 1.590 57.849 56.287 -0.047 0.000 0.937 253 K CB -0.213 32.257 32.500 -0.050 0.000 0.721 253 K HN 0.214 nan 8.250 nan 0.000 0.438 254 E N 0.263 120.434 120.200 -0.048 0.000 2.068 254 E HA -0.318 4.032 4.350 -0.001 0.000 0.207 254 E C 2.348 178.891 176.600 -0.095 0.000 1.032 254 E CA 2.171 58.534 56.400 -0.061 0.000 0.839 254 E CB -0.203 29.462 29.700 -0.058 0.000 0.758 254 E HN 0.455 nan 8.360 nan 0.000 0.457 255 Q N -0.587 119.133 119.800 -0.133 0.000 1.994 255 Q HA -0.109 4.231 4.340 -0.001 0.000 0.198 255 Q C 1.493 177.257 176.000 -0.393 0.000 0.976 255 Q CA 1.409 57.016 55.803 -0.328 0.000 0.828 255 Q CB 0.005 28.445 28.738 -0.496 0.000 0.894 255 Q HN 0.400 nan 8.270 nan 0.000 0.432 256 Y N -1.279 118.993 120.300 -0.046 0.000 2.485 256 Y HA 0.313 4.862 4.550 -0.001 0.000 0.260 256 Y C 1.282 177.170 175.900 -0.020 0.000 1.173 256 Y CA 0.161 58.254 58.100 -0.012 0.000 1.252 256 Y CB 0.821 39.289 38.460 0.014 0.000 1.123 256 Y HN 0.273 nan 8.280 nan 0.000 0.524 257 G N 1.104 109.938 108.800 0.057 0.000 2.175 257 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.265 257 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.265 257 G C 0.358 175.271 174.900 0.022 0.000 0.979 257 G CA 0.368 45.483 45.100 0.024 0.000 0.663 257 G HN 0.381 nan 8.290 nan 0.000 0.533 258 I N 0.470 121.059 120.570 0.032 0.000 2.892 258 I HA 0.143 4.312 4.170 -0.001 0.000 0.287 258 I C 0.689 176.782 176.117 -0.041 0.000 1.205 258 I CA -0.109 61.192 61.300 0.002 0.000 1.409 258 I CB 0.340 38.324 38.000 -0.026 0.000 1.367 258 I HN 0.043 nan 8.210 nan 0.000 0.597 259 D N 3.801 124.172 120.400 -0.049 0.000 2.312 259 D HA 0.278 4.918 4.640 -0.001 0.000 0.252 259 D C -0.908 175.318 176.300 -0.123 0.000 1.150 259 D CA 0.089 54.040 54.000 -0.081 0.000 0.870 259 D CB 0.942 41.690 40.800 -0.086 0.000 1.153 259 D HN 0.078 nan 8.370 nan 0.000 0.457 260 V N 6.114 125.952 119.914 -0.127 0.000 2.284 260 V HA 0.316 4.435 4.120 -0.001 0.000 0.274 260 V C -1.788 174.204 176.094 -0.169 0.000 1.023 260 V CA -1.377 60.830 62.300 -0.156 0.000 0.808 260 V CB 0.840 32.596 31.823 -0.112 0.000 1.035 260 V HN 0.604 nan 8.190 nan 0.000 0.445 261 P HA 0.144 nan 4.420 nan 0.000 0.272 261 P C -0.471 176.789 177.300 -0.066 0.000 1.254 261 P CA -0.381 62.593 63.100 -0.210 0.000 0.795 261 P CB 0.489 31.937 31.700 -0.421 0.000 1.022 262 D N -0.524 119.888 120.400 0.020 0.000 2.343 262 D HA 0.386 5.025 4.640 -0.001 0.000 0.255 262 D C 0.988 177.415 176.300 0.212 0.000 1.187 262 D CA 1.264 55.311 54.000 0.079 0.000 0.875 262 D CB -0.324 40.526 40.800 0.082 0.000 1.136 262 D HN 0.618 nan 8.370 nan 0.000 0.469 263 G N 2.518 111.372 108.800 0.091 0.000 2.165 263 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.226 263 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.226 263 G C -0.272 174.318 174.900 -0.517 0.000 1.035 263 G CA -0.485 44.610 45.100 -0.007 0.000 0.744 263 G HN 0.354 nan 8.290 nan 0.000 0.501 264 F N -0.662 118.837 119.950 -0.751 0.000 2.532 264 F HA 0.874 5.401 4.527 -0.001 0.000 0.321 264 F C 0.246 175.565 175.800 -0.801 0.000 1.089 264 F CA -1.263 56.375 58.000 -0.604 0.000 0.926 264 F CB 1.570 40.402 39.000 -0.281 0.000 1.168 264 F HN 0.005 nan 8.300 nan 0.000 0.459 265 F N -0.086 119.893 119.950 0.048 0.000 2.675 265 F HA 0.574 5.101 4.527 -0.001 0.000 0.324 265 F C -0.320 175.631 175.800 0.252 0.000 1.106 265 F CA -1.201 56.874 58.000 0.125 0.000 0.970 265 F CB 0.752 39.802 39.000 0.084 0.000 1.385 265 F HN 0.263 nan 8.300 nan 0.000 0.489 266 C N 1.188 120.750 119.300 0.437 0.000 2.595 266 C HA 0.384 4.843 4.460 -0.001 0.000 0.384 266 C C 0.089 175.258 174.990 0.299 0.000 1.289 266 C CA -0.773 58.452 59.018 0.345 0.000 2.372 266 C CB -0.118 27.782 27.740 0.267 0.000 2.593 266 C HN 0.771 nan 8.230 nan 0.000 0.639 267 E N 1.870 122.167 120.200 0.162 0.000 2.313 267 E HA 0.334 4.684 4.350 -0.001 0.000 0.272 267 E C -0.187 176.379 176.600 -0.057 0.000 1.038 267 E CA -0.676 55.691 56.400 -0.054 0.000 0.863 267 E CB 0.909 30.559 29.700 -0.083 0.000 1.060 267 E HN 0.588 nan 8.360 nan 0.000 0.402 268 R N 1.939 122.357 120.500 -0.137 0.000 2.623 268 R HA 0.053 4.393 4.340 -0.001 0.000 0.271 268 R C -0.463 175.797 176.300 -0.066 0.000 1.043 268 R CA -0.054 55.995 56.100 -0.084 0.000 1.083 268 R CB 0.572 30.811 30.300 -0.101 0.000 0.974 268 R HN 0.529 nan 8.270 nan 0.000 0.436 269 R N 4.483 124.961 120.500 -0.037 0.000 2.388 269 R HA 0.254 4.594 4.340 -0.001 0.000 0.314 269 R C -0.587 175.736 176.300 0.039 0.000 0.959 269 R CA -0.712 55.383 56.100 -0.009 0.000 0.851 269 R CB 1.661 31.944 30.300 -0.028 0.000 1.168 269 R HN 0.657 nan 8.270 nan 0.000 0.472 270 R N 0.589 121.113 120.500 0.040 0.000 2.459 270 R HA 0.174 4.514 4.340 -0.001 0.000 0.281 270 R C 0.552 176.907 176.300 0.092 0.000 1.050 270 R CA -0.345 55.783 56.100 0.046 0.000 1.055 270 R CB 1.013 31.311 30.300 -0.002 0.000 1.045 270 R HN 0.481 nan 8.270 nan 0.000 0.495 271 T N -0.660 113.923 114.554 0.050 0.000 2.907 271 T HA 0.494 4.844 4.350 -0.001 0.000 0.298 271 T C -0.081 174.518 174.700 -0.168 0.000 1.017 271 T CA -0.688 61.326 62.100 -0.143 0.000 1.118 271 T CB 1.235 69.994 68.868 -0.183 0.000 0.948 271 T HN 0.621 nan 8.240 nan 0.000 0.531 272 A N 4.482 127.154 122.820 -0.246 0.000 2.371 272 A HA 0.760 5.080 4.320 -0.001 0.000 0.311 272 A C -0.347 177.156 177.584 -0.134 0.000 1.068 272 A CA -1.089 50.868 52.037 -0.133 0.000 0.744 272 A CB 1.367 20.336 19.000 -0.051 0.000 1.239 272 A HN 0.915 nan 8.150 nan 0.000 0.435 273 M N 1.275 120.829 119.600 -0.077 0.000 2.578 273 M HA 0.577 5.057 4.480 -0.001 0.000 0.321 273 M C 0.401 176.792 176.300 0.150 0.000 1.182 273 M CA -0.232 55.068 55.300 0.000 0.000 0.965 273 M CB 2.426 34.946 32.600 -0.134 0.000 1.694 273 M HN 0.797 nan 8.290 nan 0.000 0.461 274 G N 0.734 109.712 108.800 0.296 0.000 2.605 274 G HA2 0.603 4.563 3.960 -0.001 0.000 0.304 274 G HA3 0.603 4.563 3.960 -0.001 0.000 0.304 274 G C -0.366 174.691 174.900 0.262 0.000 1.333 274 G CA -0.617 44.654 45.100 0.286 0.000 0.973 274 G HN 0.897 nan 8.290 nan 0.000 0.507 275 G N 2.117 111.046 108.800 0.215 0.000 2.539 275 G HA2 0.518 4.478 3.960 -0.001 0.000 0.258 275 G HA3 0.518 4.478 3.960 -0.001 0.000 0.258 275 G C -2.546 172.259 174.900 -0.158 0.000 1.202 275 G CA -1.178 43.862 45.100 -0.101 0.000 0.851 275 G HN 0.390 nan 8.290 nan 0.000 0.556 276 P HA 0.032 nan 4.420 nan 0.000 0.264 276 P C 0.380 177.631 177.300 -0.082 0.000 1.236 276 P CA -0.323 62.663 63.100 -0.190 0.000 0.811 276 P CB 0.360 31.947 31.700 -0.188 0.000 0.840 277 F N 4.939 124.794 119.950 -0.158 0.000 2.154 277 F HA -0.293 4.234 4.527 -0.001 0.000 0.301 277 F C 2.111 177.877 175.800 -0.058 0.000 1.087 277 F CA 2.090 60.037 58.000 -0.088 0.000 1.274 277 F CB -0.504 38.452 39.000 -0.073 0.000 1.009 277 F HN 0.338 nan 8.300 nan 0.000 0.485 278 A N -0.571 122.256 122.820 0.011 0.000 2.131 278 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 278 A C 1.983 179.509 177.584 -0.097 0.000 1.158 278 A CA 1.711 53.728 52.037 -0.035 0.000 0.665 278 A CB -0.876 18.135 19.000 0.017 0.000 0.795 278 A HN 0.506 nan 8.150 nan 0.000 0.460 279 L N -1.354 119.798 121.223 -0.118 0.000 2.463 279 L HA 0.242 4.582 4.340 -0.001 0.000 0.219 279 L C 1.410 178.204 176.870 -0.126 0.000 1.088 279 L CA 1.359 56.142 54.840 -0.095 0.000 0.849 279 L CB -0.267 41.734 42.059 -0.096 0.000 1.012 279 L HN 0.311 nan 8.230 nan 0.000 0.468 280 N N -0.363 118.211 118.700 -0.210 0.000 2.333 280 N HA 0.032 4.772 4.740 -0.001 0.000 0.178 280 N C 1.930 177.284 175.510 -0.260 0.000 1.018 280 N CA 0.871 53.800 53.050 -0.201 0.000 0.882 280 N CB -0.125 38.242 38.487 -0.201 0.000 0.984 280 N HN 0.423 nan 8.380 nan 0.000 0.434 281 A N 1.971 124.505 122.820 -0.475 0.000 1.869 281 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 281 A C -0.302 177.166 177.584 -0.194 0.000 1.203 281 A CA 1.729 53.508 52.037 -0.429 0.000 0.638 281 A CB -1.637 17.095 19.000 -0.446 0.000 0.831 281 A HN 0.204 nan 8.150 nan 0.000 0.450 282 P HA -0.042 nan 4.420 nan 0.000 0.221 282 P C 1.307 178.975 177.300 0.614 0.000 1.150 282 P CA 0.771 63.968 63.100 0.162 0.000 0.800 282 P CB -0.096 31.864 31.700 0.433 0.000 0.787 283 I N -1.816 118.979 120.570 0.374 0.000 2.406 283 I HA -0.117 4.053 4.170 -0.001 0.000 0.249 283 I C 2.247 178.609 176.117 0.408 0.000 1.122 283 I CA 1.316 62.908 61.300 0.487 0.000 1.431 283 I CB -0.459 37.685 38.000 0.241 0.000 1.087 283 I HN -0.079 nan 8.210 nan 0.000 0.424 284 M N 0.549 120.268 119.600 0.200 0.000 2.175 284 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 284 M C 2.428 178.825 176.300 0.162 0.000 1.063 284 M CA 1.609 56.994 55.300 0.142 0.000 1.119 284 M CB -0.395 32.229 32.600 0.041 0.000 1.377 284 M HN 0.221 nan 8.290 nan 0.000 0.415 285 A N -0.348 122.577 122.820 0.176 0.000 2.131 285 A HA -0.056 4.264 4.320 -0.001 0.000 0.220 285 A C 1.983 179.704 177.584 0.228 0.000 1.158 285 A CA 1.476 53.628 52.037 0.192 0.000 0.665 285 A CB -0.582 18.536 19.000 0.197 0.000 0.795 285 A HN 0.363 nan 8.150 nan 0.000 0.460 286 V N -2.032 118.042 119.914 0.267 0.000 3.151 286 V HA 0.128 4.248 4.120 -0.001 0.000 0.241 286 V C 2.690 178.864 176.094 0.133 0.000 1.173 286 V CA 0.866 63.259 62.300 0.154 0.000 1.154 286 V CB -0.697 31.186 31.823 0.100 0.000 0.898 286 V HN 0.450 nan 8.190 nan 0.000 0.473 287 A N 0.156 123.103 122.820 0.212 0.000 1.969 287 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 287 A C 2.126 179.725 177.584 0.026 0.000 1.169 287 A CA 2.176 54.291 52.037 0.131 0.000 0.635 287 A CB -0.419 18.700 19.000 0.198 0.000 0.810 287 A HN 0.481 nan 8.150 nan 0.000 0.445 288 Q N 0.310 120.143 119.800 0.055 0.000 2.046 288 Q HA -0.050 4.290 4.340 -0.001 0.000 0.200 288 Q C -0.734 175.262 176.000 -0.007 0.000 0.975 288 Q CA 2.144 57.967 55.803 0.032 0.000 0.836 288 Q CB -1.380 27.395 28.738 0.060 0.000 0.896 288 Q HN 0.431 nan 8.270 nan 0.000 0.428 289 P HA -0.144 nan 4.420 nan 0.000 0.215 289 P C 1.401 178.641 177.300 -0.100 0.000 1.157 289 P CA 1.345 64.422 63.100 -0.038 0.000 0.868 289 P CB -0.111 31.572 31.700 -0.029 0.000 0.788 290 V N -0.055 119.760 119.914 -0.165 0.000 2.282 290 V HA -0.297 3.822 4.120 -0.001 0.000 0.249 290 V C 2.525 178.432 176.094 -0.312 0.000 1.057 290 V CA 1.923 64.037 62.300 -0.310 0.000 1.032 290 V CB -0.995 30.500 31.823 -0.547 0.000 0.645 290 V HN 0.080 nan 8.190 nan 0.000 0.447 291 R N -0.068 120.259 120.500 -0.288 0.000 2.096 291 R HA -0.197 4.142 4.340 -0.001 0.000 0.240 291 R C 2.288 178.405 176.300 -0.305 0.000 1.139 291 R CA 1.905 57.749 56.100 -0.427 0.000 0.952 291 R CB -0.523 29.639 30.300 -0.231 0.000 0.854 291 R HN 0.542 nan 8.270 nan 0.000 0.436 292 N N 0.883 119.525 118.700 -0.098 0.000 2.018 292 N HA -0.232 4.508 4.740 -0.001 0.000 0.196 292 N C 1.581 177.071 175.510 -0.033 0.000 1.043 292 N CA 1.473 54.518 53.050 -0.009 0.000 0.856 292 N CB -0.365 38.119 38.487 -0.005 0.000 1.042 292 N HN 0.217 nan 8.380 nan 0.000 0.423 293 K N 1.077 121.436 120.400 -0.069 0.000 2.059 293 K HA -0.150 4.169 4.320 -0.001 0.000 0.212 293 K C 2.084 178.674 176.600 -0.015 0.000 1.050 293 K CA 1.689 57.950 56.287 -0.043 0.000 0.927 293 K CB -0.246 32.237 32.500 -0.029 0.000 0.714 293 K HN 0.429 nan 8.250 nan 0.000 0.447 294 I N -2.495 118.032 120.570 -0.071 0.000 2.406 294 I HA -0.111 4.058 4.170 -0.001 0.000 0.249 294 I C 1.307 177.487 176.117 0.105 0.000 1.122 294 I CA 0.755 62.070 61.300 0.025 0.000 1.431 294 I CB -0.403 37.449 38.000 -0.246 0.000 1.087 294 I HN -0.006 nan 8.210 nan 0.000 0.424 295 Y N 2.299 122.639 120.300 0.066 0.000 2.571 295 Y HA -0.056 4.494 4.550 -0.001 0.000 0.294 295 Y C 2.825 178.754 175.900 0.049 0.000 1.141 295 Y CA 0.379 58.554 58.100 0.126 0.000 1.308 295 Y CB -0.728 37.838 38.460 0.176 0.000 1.002 295 Y HN 0.515 nan 8.280 nan 0.000 0.551 296 S N -0.946 114.823 115.700 0.115 0.000 2.583 296 S HA 0.002 4.471 4.470 -0.001 0.000 0.203 296 S C 1.999 176.560 174.600 -0.065 0.000 0.952 296 S CA 0.302 58.493 58.200 -0.014 0.000 0.887 296 S CB -0.337 62.841 63.200 -0.037 0.000 0.857 296 S HN 0.195 nan 8.310 nan 0.000 0.611 297 K N 0.511 120.822 120.400 -0.147 0.000 2.009 297 K HA -0.091 4.229 4.320 -0.001 0.000 0.210 297 K C 0.327 176.694 176.600 -0.390 0.000 1.049 297 K CA 1.486 57.558 56.287 -0.358 0.000 0.929 297 K CB -0.336 31.785 32.500 -0.632 0.000 0.714 297 K HN 0.541 nan 8.250 nan 0.000 0.440 298 Y N 0.015 120.361 120.300 0.077 0.000 2.897 298 Y HA 0.342 4.892 4.550 -0.001 0.000 0.372 298 Y C 0.989 176.895 175.900 0.009 0.000 1.034 298 Y CA -0.268 57.858 58.100 0.042 0.000 1.627 298 Y CB 0.095 38.593 38.460 0.063 0.000 1.474 298 Y HN 0.149 nan 8.280 nan 0.000 0.517 299 A N -0.746 122.140 122.820 0.111 0.000 2.066 299 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 299 A C 1.870 179.499 177.584 0.075 0.000 1.157 299 A CA 0.877 52.985 52.037 0.119 0.000 0.670 299 A CB -0.722 18.298 19.000 0.032 0.000 0.804 299 A HN 0.710 nan 8.150 nan 0.000 0.453 300 Y N 1.586 121.849 120.300 -0.062 0.000 2.128 300 Y HA -0.264 4.286 4.550 -0.001 0.000 0.284 300 Y C 2.762 178.627 175.900 -0.058 0.000 1.154 300 Y CA 2.592 60.652 58.100 -0.068 0.000 1.149 300 Y CB -0.166 38.214 38.460 -0.133 0.000 0.976 300 Y HN 0.416 nan 8.280 nan 0.000 0.505 301 T N -3.220 111.192 114.554 -0.236 0.000 3.057 301 T HA 0.050 4.399 4.350 -0.001 0.000 0.254 301 T C 1.309 175.830 174.700 -0.298 0.000 1.094 301 T CA 0.681 62.518 62.100 -0.439 0.000 1.088 301 T CB -0.658 67.754 68.868 -0.761 0.000 0.934 301 T HN 0.386 nan 8.240 nan 0.000 0.497 302 F N -0.356 119.557 119.950 -0.062 0.000 2.637 302 F HA 0.373 4.900 4.527 -0.001 0.000 0.284 302 F C 1.029 176.563 175.800 -0.443 0.000 1.105 302 F CA -1.002 56.923 58.000 -0.125 0.000 1.356 302 F CB 0.323 39.293 39.000 -0.049 0.000 1.096 302 F HN 0.203 nan 8.300 nan 0.000 0.616 303 H N 1.496 120.372 119.070 -0.322 0.000 2.705 303 H HA 0.244 4.800 4.556 -0.001 0.000 0.291 303 H C -0.969 174.049 175.328 -0.516 0.000 1.085 303 H CA -0.299 55.512 56.048 -0.394 0.000 1.357 303 H CB 0.005 29.693 29.762 -0.123 0.000 1.419 303 H HN -0.002 nan 8.280 nan 0.000 0.462 304 H N 3.981 122.901 119.070 -0.251 0.000 2.727 304 H HA 0.174 4.729 4.556 -0.001 0.000 0.330 304 H C 0.355 175.592 175.328 -0.152 0.000 0.986 304 H CA -0.252 55.728 56.048 -0.113 0.000 1.251 304 H CB 1.512 31.252 29.762 -0.038 0.000 1.493 304 H HN 0.828 nan 8.280 nan 0.000 0.515 305 T N -0.251 114.338 114.554 0.058 0.000 3.556 305 T HA 0.112 4.462 4.350 -0.001 0.000 0.204 305 T C 0.858 175.600 174.700 0.070 0.000 0.896 305 T CA 0.336 62.467 62.100 0.052 0.000 1.380 305 T CB -0.284 68.601 68.868 0.029 0.000 1.584 305 T HN 0.482 nan 8.240 nan 0.000 0.411 306 T N -0.140 114.419 114.554 0.009 0.000 2.927 306 T HA 0.502 4.851 4.350 -0.001 0.000 0.281 306 T C 0.941 175.616 174.700 -0.042 0.000 0.998 306 T CA -0.939 61.150 62.100 -0.019 0.000 1.019 306 T CB 1.715 70.557 68.868 -0.043 0.000 1.061 306 T HN 0.330 nan 8.240 nan 0.000 0.518 307 R N -0.240 120.231 120.500 -0.049 0.000 2.152 307 R HA -0.019 4.321 4.340 -0.001 0.000 0.232 307 R C 1.865 178.164 176.300 -0.003 0.000 1.117 307 R CA 0.579 56.641 56.100 -0.065 0.000 0.981 307 R CB -0.621 29.685 30.300 0.010 0.000 0.870 307 R HN 0.386 nan 8.270 nan 0.000 0.451 308 L N 1.581 122.805 121.223 0.001 0.000 1.976 308 L HA -0.224 4.115 4.340 -0.001 0.000 0.209 308 L C 2.158 179.028 176.870 0.000 0.000 1.071 308 L CA 1.672 56.518 54.840 0.011 0.000 0.746 308 L CB -1.380 40.676 42.059 -0.004 0.000 0.890 308 L HN 0.303 nan 8.230 nan 0.000 0.432 309 N N -0.126 118.568 118.700 -0.010 0.000 2.144 309 N HA -0.292 4.448 4.740 -0.001 0.000 0.195 309 N C 1.697 177.187 175.510 -0.032 0.000 1.006 309 N CA 1.923 54.972 53.050 -0.002 0.000 0.880 309 N CB 0.131 38.635 38.487 0.029 0.000 1.018 309 N HN 0.460 nan 8.380 nan 0.000 0.443 310 K N 0.473 120.821 120.400 -0.088 0.000 2.029 310 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 310 K C 2.015 178.630 176.600 0.025 0.000 1.042 310 K CA 0.843 57.022 56.287 -0.179 0.000 0.949 310 K CB -0.342 31.776 32.500 -0.638 0.000 0.740 310 K HN 0.210 nan 8.250 nan 0.000 0.442 311 E N 1.680 122.031 120.200 0.251 0.000 2.187 311 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 311 E C 1.683 178.281 176.600 -0.003 0.000 1.004 311 E CA 1.488 58.027 56.400 0.232 0.000 0.813 311 E CB 0.130 29.937 29.700 0.178 0.000 0.736 311 E HN 0.273 nan 8.360 nan 0.000 0.468 312 E N 0.229 120.416 120.200 -0.021 0.000 2.007 312 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 312 E C 2.119 178.655 176.600 -0.106 0.000 0.999 312 E CA 1.606 57.979 56.400 -0.044 0.000 0.811 312 E CB -0.007 29.685 29.700 -0.013 0.000 0.762 312 E HN 0.189 nan 8.360 nan 0.000 0.450 313 K N 0.203 120.512 120.400 -0.152 0.000 2.127 313 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 313 K C 2.062 178.253 176.600 -0.682 0.000 1.047 313 K CA 1.482 57.623 56.287 -0.244 0.000 0.927 313 K CB -0.087 32.169 32.500 -0.408 0.000 0.716 313 K HN 0.032 nan 8.250 nan 0.000 0.450 314 V N 1.055 120.519 119.914 -0.749 0.000 2.535 314 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 314 V C 1.910 177.736 176.094 -0.446 0.000 1.045 314 V CA 1.183 62.872 62.300 -1.017 0.000 1.058 314 V CB -0.324 31.107 31.823 -0.654 0.000 0.689 314 V HN 0.218 nan 8.190 nan 0.000 0.461 315 K N 0.438 120.689 120.400 -0.247 0.000 2.127 315 K HA -0.268 4.052 4.320 -0.001 0.000 0.208 315 K C 2.053 178.646 176.600 -0.012 0.000 1.047 315 K CA 2.110 58.339 56.287 -0.098 0.000 0.927 315 K CB -0.173 32.289 32.500 -0.062 0.000 0.716 315 K HN 0.579 nan 8.250 nan 0.000 0.450 316 E N -0.817 119.372 120.200 -0.018 0.000 2.274 316 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 316 E C 0.018 176.796 176.600 0.297 0.000 0.996 316 E CA 0.105 56.576 56.400 0.118 0.000 0.840 316 E CB 0.102 29.882 29.700 0.133 0.000 0.772 316 E HN 0.210 nan 8.360 nan 0.000 0.491 317 W N 0.714 122.070 121.300 0.094 0.000 2.126 317 W HA 0.078 4.738 4.660 -0.000 0.000 0.346 317 W C 1.365 177.964 176.519 0.133 0.000 1.279 317 W CA -0.745 56.671 57.345 0.118 0.000 1.259 317 W CB 0.528 30.057 29.460 0.116 0.000 1.133 317 W HN -0.155 nan 8.180 nan 0.000 0.592 318 S N 0.455 116.383 115.700 0.380 0.000 2.483 318 S HA 0.111 4.581 4.470 -0.001 0.000 0.221 318 S C -0.010 174.758 174.600 0.280 0.000 1.030 318 S CA 0.009 58.380 58.200 0.285 0.000 0.925 318 S CB 0.186 63.528 63.200 0.236 0.000 0.795 318 S HN 0.267 nan 8.310 nan 0.000 0.511 319 L N 0.592 121.987 121.223 0.286 0.000 2.422 319 L HA 0.710 5.049 4.340 -0.001 0.000 0.264 319 L C -1.614 175.468 176.870 0.353 0.000 0.984 319 L CA -0.716 54.241 54.840 0.195 0.000 0.819 319 L CB 1.867 43.798 42.059 -0.213 0.000 1.330 319 L HN 0.125 nan 8.230 nan 0.000 0.410 320 C N 4.877 124.382 119.300 0.341 0.000 2.364 320 C HA 0.856 5.315 4.460 -0.001 0.000 0.324 320 C C -1.008 174.072 174.990 0.149 0.000 1.234 320 C CA -0.394 58.866 59.018 0.403 0.000 1.417 320 C CB 0.789 28.850 27.740 0.536 0.000 2.101 320 C HN 0.634 nan 8.230 nan 0.000 0.466 321 V N 6.182 126.136 119.914 0.065 0.000 2.376 321 V HA 0.613 4.733 4.120 -0.001 0.000 0.287 321 V C 0.573 176.648 176.094 -0.031 0.000 1.015 321 V CA -0.310 61.855 62.300 -0.225 0.000 0.834 321 V CB 1.275 32.916 31.823 -0.304 0.000 1.001 321 V HN 1.083 nan 8.190 nan 0.000 0.428 322 A N 4.068 126.913 122.820 0.041 0.000 2.347 322 A HA 0.643 4.963 4.320 -0.001 0.000 0.287 322 A C 0.747 178.390 177.584 0.098 0.000 1.199 322 A CA 0.128 52.226 52.037 0.101 0.000 0.851 322 A CB 0.221 19.326 19.000 0.175 0.000 1.118 322 A HN 0.936 nan 8.150 nan 0.000 0.525 323 T N -0.372 114.220 114.554 0.062 0.000 2.867 323 T HA 0.683 5.032 4.350 -0.001 0.000 0.286 323 T C -0.628 174.166 174.700 0.158 0.000 1.022 323 T CA -0.345 61.827 62.100 0.119 0.000 0.933 323 T CB 1.354 70.282 68.868 0.100 0.000 1.280 323 T HN 0.547 nan 8.240 nan 0.000 0.566 324 D N -1.102 119.425 120.400 0.212 0.000 2.746 324 D HA 0.378 5.018 4.640 -0.001 0.000 0.211 324 D C -1.734 174.697 176.300 0.218 0.000 1.242 324 D CA -0.429 53.683 54.000 0.188 0.000 0.790 324 D CB 1.961 42.831 40.800 0.115 0.000 1.744 324 D HN 0.537 nan 8.370 nan 0.000 0.520 325 V N 2.096 122.143 119.914 0.222 0.000 2.448 325 V HA 0.493 4.612 4.120 -0.001 0.000 0.295 325 V C 0.489 176.711 176.094 0.212 0.000 1.025 325 V CA -0.923 61.514 62.300 0.228 0.000 0.859 325 V CB 1.550 33.547 31.823 0.291 0.000 0.988 325 V HN 0.615 nan 8.190 nan 0.000 0.431 326 S N 3.960 119.777 115.700 0.195 0.000 2.498 326 S HA 0.113 4.583 4.470 -0.001 0.000 0.281 326 S C 0.628 175.434 174.600 0.344 0.000 1.265 326 S CA 0.030 58.366 58.200 0.227 0.000 1.071 326 S CB -0.309 63.024 63.200 0.223 0.000 0.894 326 S HN 0.987 nan 8.310 nan 0.000 0.491 327 D N 3.132 123.688 120.400 0.260 0.000 2.704 327 D HA -0.256 4.384 4.640 -0.001 0.000 0.232 327 D C 0.867 177.365 176.300 0.329 0.000 1.183 327 D CA 1.107 55.242 54.000 0.226 0.000 0.647 327 D CB -1.428 39.442 40.800 0.117 0.000 1.013 327 D HN 0.952 nan 8.370 nan 0.000 0.415 328 H N 0.162 119.372 119.070 0.233 0.000 2.394 328 H HA -0.187 4.368 4.556 -0.001 0.000 0.297 328 H C 1.111 176.586 175.328 0.244 0.000 1.113 328 H CA 2.150 58.349 56.048 0.250 0.000 1.277 328 H CB 0.403 30.275 29.762 0.183 0.000 1.370 328 H HN 0.351 nan 8.280 nan 0.000 0.506 329 D N -0.350 120.195 120.400 0.242 0.000 2.120 329 D HA -0.104 4.536 4.640 -0.001 0.000 0.202 329 D C 2.302 178.617 176.300 0.026 0.000 0.972 329 D CA 2.224 56.306 54.000 0.136 0.000 0.837 329 D CB -0.531 40.338 40.800 0.115 0.000 0.989 329 D HN 0.610 nan 8.370 nan 0.000 0.469 330 T N -2.300 112.242 114.554 -0.020 0.000 3.072 330 T HA -0.047 4.303 4.350 -0.001 0.000 0.266 330 T C 1.801 176.441 174.700 -0.100 0.000 1.127 330 T CA 0.543 62.583 62.100 -0.102 0.000 1.107 330 T CB -0.550 68.201 68.868 -0.195 0.000 0.910 330 T HN 0.087 nan 8.240 nan 0.000 0.513 331 F N -0.804 119.135 119.950 -0.019 0.000 2.656 331 F HA 0.357 4.884 4.527 -0.000 0.000 0.291 331 F C 0.828 176.586 175.800 -0.070 0.000 1.122 331 F CA -1.597 56.383 58.000 -0.033 0.000 1.427 331 F CB 0.205 39.185 39.000 -0.034 0.000 1.125 331 F HN 0.178 nan 8.300 nan 0.000 0.583 332 W N 4.874 126.095 121.300 -0.132 0.000 2.435 332 W HA 0.019 4.679 4.660 -0.000 0.000 0.337 332 W C -2.444 173.918 176.519 -0.262 0.000 1.300 332 W CA -1.628 55.554 57.345 -0.271 0.000 1.298 332 W CB -0.032 29.259 29.460 -0.283 0.000 1.217 332 W HN -0.184 nan 8.180 nan 0.000 0.565 333 P HA 0.095 nan 4.420 nan 0.000 0.276 333 P C 0.767 177.481 177.300 -0.976 0.000 1.235 333 P CA 0.324 62.828 63.100 -0.994 0.000 0.772 333 P CB 1.015 31.583 31.700 -1.887 0.000 0.871 334 G N 3.183 111.714 108.800 -0.448 0.000 2.422 334 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.218 334 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.218 334 G C 1.137 175.890 174.900 -0.245 0.000 1.146 334 G CA 0.038 45.009 45.100 -0.214 0.000 0.769 334 G HN 0.698 nan 8.290 nan 0.000 0.547 335 W N 0.383 121.557 121.300 -0.210 0.000 2.392 335 W HA 0.051 4.710 4.660 -0.000 0.000 0.279 335 W C 1.671 178.005 176.519 -0.309 0.000 1.225 335 W CA 0.435 57.655 57.345 -0.208 0.000 1.233 335 W CB -0.977 28.378 29.460 -0.176 0.000 1.122 335 W HN 0.174 nan 8.180 nan 0.000 0.561 336 L N 2.302 122.974 121.223 -0.919 0.000 2.141 336 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 336 L C 3.033 179.667 176.870 -0.393 0.000 1.094 336 L CA 2.062 56.382 54.840 -0.867 0.000 0.763 336 L CB -0.918 40.227 42.059 -1.525 0.000 0.908 336 L HN -0.033 nan 8.230 nan 0.000 0.437 337 R N -0.405 119.910 120.500 -0.309 0.000 2.070 337 R HA -0.182 4.158 4.340 -0.001 0.000 0.233 337 R C 1.745 178.096 176.300 0.085 0.000 1.137 337 R CA 2.072 58.242 56.100 0.118 0.000 0.945 337 R CB -0.607 29.820 30.300 0.211 0.000 0.845 337 R HN 0.400 nan 8.270 nan 0.000 0.430 338 D N 1.046 121.469 120.400 0.037 0.000 2.144 338 D HA -0.186 4.454 4.640 -0.001 0.000 0.199 338 D C 1.986 178.314 176.300 0.046 0.000 0.984 338 D CA 1.070 55.105 54.000 0.058 0.000 0.834 338 D CB -0.234 40.606 40.800 0.067 0.000 0.955 338 D HN 0.314 nan 8.370 nan 0.000 0.465 339 L N 0.523 121.768 121.223 0.036 0.000 2.027 339 L HA -0.101 4.239 4.340 -0.001 0.000 0.206 339 L C 2.347 179.218 176.870 0.001 0.000 1.074 339 L CA 0.988 55.845 54.840 0.028 0.000 0.745 339 L CB -0.179 41.904 42.059 0.041 0.000 0.898 339 L HN -0.099 nan 8.230 nan 0.000 0.433 340 I N -0.627 119.939 120.570 -0.007 0.000 2.248 340 I HA -0.395 3.774 4.170 -0.001 0.000 0.248 340 I C 2.509 178.551 176.117 -0.125 0.000 1.107 340 I CA 1.363 62.635 61.300 -0.047 0.000 1.373 340 I CB -0.406 37.617 38.000 0.038 0.000 1.055 340 I HN 0.469 nan 8.210 nan 0.000 0.418 341 C N 0.107 119.392 119.300 -0.025 0.000 2.450 341 C HA -0.140 4.320 4.460 -0.001 0.000 0.279 341 C C 2.490 177.454 174.990 -0.042 0.000 1.335 341 C CA 0.886 59.888 59.018 -0.028 0.000 1.749 341 C CB -0.887 26.899 27.740 0.077 0.000 1.963 341 C HN 0.535 nan 8.230 nan 0.000 0.501 342 D N 0.744 121.133 120.400 -0.019 0.000 2.084 342 D HA -0.144 4.496 4.640 -0.001 0.000 0.196 342 D C 2.127 178.408 176.300 -0.033 0.000 0.985 342 D CA 1.426 55.420 54.000 -0.010 0.000 0.826 342 D CB -0.191 40.614 40.800 0.007 0.000 0.978 342 D HN 0.296 nan 8.370 nan 0.000 0.456 343 E N -0.049 120.122 120.200 -0.050 0.000 2.085 343 E HA -0.128 4.221 4.350 -0.001 0.000 0.194 343 E C 2.265 178.802 176.600 -0.105 0.000 0.994 343 E CA 0.819 57.186 56.400 -0.054 0.000 0.801 343 E CB -0.413 29.261 29.700 -0.043 0.000 0.743 343 E HN 0.365 nan 8.360 nan 0.000 0.453 344 L N -0.225 120.861 121.223 -0.228 0.000 1.970 344 L HA -0.239 4.101 4.340 -0.001 0.000 0.212 344 L C 2.589 179.405 176.870 -0.091 0.000 1.071 344 L CA 1.271 55.895 54.840 -0.360 0.000 0.751 344 L CB -0.634 41.049 42.059 -0.627 0.000 0.889 344 L HN 0.218 nan 8.230 nan 0.000 0.432 345 L N -0.188 121.007 121.223 -0.046 0.000 1.997 345 L HA -0.313 4.027 4.340 -0.001 0.000 0.216 345 L C 2.527 179.414 176.870 0.029 0.000 1.074 345 L CA 1.579 56.430 54.840 0.018 0.000 0.763 345 L CB -0.715 41.353 42.059 0.016 0.000 0.890 345 L HN 0.423 nan 8.230 nan 0.000 0.434 346 N N -0.136 118.572 118.700 0.013 0.000 2.069 346 N HA -0.208 4.531 4.740 -0.001 0.000 0.191 346 N C 1.793 177.324 175.510 0.037 0.000 1.031 346 N CA 1.556 54.619 53.050 0.022 0.000 0.852 346 N CB -0.359 38.137 38.487 0.015 0.000 1.018 346 N HN 0.346 nan 8.380 nan 0.000 0.423 347 M N -0.937 118.693 119.600 0.048 0.000 2.346 347 M HA -0.027 4.452 4.480 -0.001 0.000 0.263 347 M C 1.146 177.504 176.300 0.097 0.000 1.064 347 M CA 1.413 56.765 55.300 0.086 0.000 1.083 347 M CB -0.020 32.658 32.600 0.130 0.000 1.399 347 M HN 0.391 nan 8.290 nan 0.000 0.435 348 G N -1.397 107.460 108.800 0.095 0.000 2.192 348 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.193 348 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.193 348 G C -0.147 174.767 174.900 0.023 0.000 0.999 348 G CA -0.776 44.351 45.100 0.045 0.000 0.659 348 G HN 0.395 nan 8.290 nan 0.000 0.503 349 Y N 1.382 121.615 120.300 -0.112 0.000 2.788 349 Y HA 0.262 4.811 4.550 -0.001 0.000 0.341 349 Y C 1.432 177.226 175.900 -0.177 0.000 1.258 349 Y CA 0.584 58.578 58.100 -0.177 0.000 1.503 349 Y CB 0.654 39.009 38.460 -0.175 0.000 1.325 349 Y HN 0.484 nan 8.280 nan 0.000 0.614 350 A N 6.833 129.520 122.820 -0.222 0.000 2.484 350 A HA 0.134 4.454 4.320 -0.001 0.000 0.268 350 A C -1.589 175.827 177.584 -0.281 0.000 1.114 350 A CA -1.291 50.557 52.037 -0.314 0.000 0.780 350 A CB -0.122 18.494 19.000 -0.640 0.000 1.061 350 A HN 0.632 nan 8.150 nan 0.000 0.505 351 P HA -0.252 nan 4.420 nan 0.000 0.219 351 P C 1.680 179.013 177.300 0.056 0.000 1.158 351 P CA 2.295 65.413 63.100 0.030 0.000 0.895 351 P CB -0.246 31.510 31.700 0.094 0.000 0.792 352 W N -1.587 119.780 121.300 0.111 0.000 2.338 352 W HA -0.174 4.486 4.660 -0.000 0.000 0.304 352 W C 1.997 178.605 176.519 0.147 0.000 1.212 352 W CA 0.663 58.064 57.345 0.094 0.000 1.264 352 W CB -1.965 27.535 29.460 0.067 0.000 1.142 352 W HN 0.071 nan 8.180 nan 0.000 0.512 353 W N 2.242 123.153 121.300 -0.648 0.000 2.425 353 W HA -0.087 4.572 4.660 -0.001 0.000 0.277 353 W C 2.167 178.641 176.519 -0.076 0.000 1.231 353 W CA 2.468 59.548 57.345 -0.442 0.000 1.248 353 W CB -0.322 28.616 29.460 -0.870 0.000 1.117 353 W HN -0.255 nan 8.180 nan 0.000 0.568 354 V N 0.715 120.674 119.914 0.074 0.000 2.719 354 V HA -0.192 3.927 4.120 -0.001 0.000 0.252 354 V C 2.180 178.277 176.094 0.005 0.000 1.065 354 V CA 1.868 64.193 62.300 0.041 0.000 1.086 354 V CB -0.769 31.107 31.823 0.089 0.000 0.700 354 V HN -0.036 nan 8.190 nan 0.000 0.467 355 K N 0.743 121.164 120.400 0.035 0.000 2.057 355 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 355 K C 1.913 178.532 176.600 0.032 0.000 1.050 355 K CA 1.380 57.707 56.287 0.067 0.000 0.935 355 K CB -0.504 32.053 32.500 0.096 0.000 0.715 355 K HN 0.384 nan 8.250 nan 0.000 0.439 356 L N -0.503 120.700 121.223 -0.034 0.000 2.012 356 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 356 L C 2.247 179.000 176.870 -0.195 0.000 1.073 356 L CA 1.494 56.275 54.840 -0.099 0.000 0.748 356 L CB -0.562 41.407 42.059 -0.150 0.000 0.891 356 L HN 0.141 nan 8.230 nan 0.000 0.431 357 F N 0.883 120.519 119.950 -0.523 0.000 2.075 357 F HA -0.236 4.291 4.527 -0.001 0.000 0.297 357 F C 2.678 178.362 175.800 -0.194 0.000 1.113 357 F CA 1.971 59.689 58.000 -0.470 0.000 1.218 357 F CB -0.204 38.380 39.000 -0.693 0.000 0.984 357 F HN 0.102 nan 8.300 nan 0.000 0.472 358 E N -0.629 119.576 120.200 0.007 0.000 2.049 358 E HA -0.242 4.108 4.350 -0.001 0.000 0.198 358 E C 2.002 178.572 176.600 -0.049 0.000 1.007 358 E CA 2.132 58.536 56.400 0.008 0.000 0.809 358 E CB -0.316 29.431 29.700 0.079 0.000 0.749 358 E HN 0.389 nan 8.360 nan 0.000 0.450 359 T N 0.365 114.916 114.554 -0.004 0.000 2.788 359 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 359 T C 2.015 176.686 174.700 -0.048 0.000 1.044 359 T CA 1.496 63.610 62.100 0.023 0.000 1.139 359 T CB -0.353 68.612 68.868 0.162 0.000 0.867 359 T HN 0.348 nan 8.240 nan 0.000 0.454 360 S N 1.331 116.958 115.700 -0.121 0.000 2.469 360 S HA 0.025 4.495 4.470 -0.001 0.000 0.238 360 S C 1.590 176.155 174.600 -0.057 0.000 0.998 360 S CA 0.757 58.888 58.200 -0.115 0.000 0.957 360 S CB -0.585 62.488 63.200 -0.212 0.000 0.764 360 S HN 0.481 nan 8.310 nan 0.000 0.514 361 L N -0.224 120.906 121.223 -0.155 0.000 2.769 361 L HA 0.388 4.728 4.340 -0.001 0.000 0.240 361 L C 1.041 177.890 176.870 -0.035 0.000 1.163 361 L CA 0.077 54.839 54.840 -0.132 0.000 0.962 361 L CB 0.119 42.055 42.059 -0.205 0.000 1.258 361 L HN 0.168 nan 8.230 nan 0.000 0.513 362 K N 0.236 120.630 120.400 -0.011 0.000 2.619 362 K HA 0.301 4.621 4.320 -0.001 0.000 0.201 362 K C -0.597 176.000 176.600 -0.004 0.000 1.090 362 K CA -0.376 55.905 56.287 -0.009 0.000 1.063 362 K CB 1.342 33.822 32.500 -0.032 0.000 0.810 362 K HN 0.022 nan 8.250 nan 0.000 0.506 363 L N 2.279 123.547 121.223 0.076 0.000 2.350 363 L HA 0.297 4.636 4.340 -0.001 0.000 0.275 363 L C -2.422 174.520 176.870 0.120 0.000 1.099 363 L CA -1.829 53.056 54.840 0.075 0.000 0.808 363 L CB 0.548 42.660 42.059 0.087 0.000 1.149 363 L HN -0.086 nan 8.230 nan 0.000 0.442 364 P HA 0.096 nan 4.420 nan 0.000 0.269 364 P C -1.400 176.002 177.300 0.170 0.000 1.215 364 P CA -0.151 63.005 63.100 0.094 0.000 0.780 364 P CB 0.624 32.353 31.700 0.048 0.000 0.898 365 V N 1.147 121.172 119.914 0.184 0.000 2.555 365 V HA 0.499 4.619 4.120 -0.001 0.000 0.302 365 V C -1.299 174.934 176.094 0.231 0.000 1.038 365 V CA -1.009 61.420 62.300 0.215 0.000 0.887 365 V CB 1.516 33.416 31.823 0.128 0.000 0.991 365 V HN 0.408 nan 8.190 nan 0.000 0.434 366 Y N 4.594 124.974 120.300 0.134 0.000 2.385 366 Y HA 0.657 5.206 4.550 -0.001 0.000 0.341 366 Y C -0.067 175.851 175.900 0.031 0.000 0.965 366 Y CA -0.594 57.600 58.100 0.157 0.000 1.180 366 Y CB 1.272 39.889 38.460 0.262 0.000 1.139 366 Y HN 0.702 nan 8.280 nan 0.000 0.502 367 V N 7.667 127.351 119.914 -0.383 0.000 2.508 367 V HA 0.217 4.337 4.120 -0.001 0.000 0.281 367 V C 0.881 176.657 176.094 -0.530 0.000 1.041 367 V CA 0.761 62.792 62.300 -0.448 0.000 1.016 367 V CB 0.685 32.165 31.823 -0.572 0.000 0.984 367 V HN 1.064 nan 8.190 nan 0.000 0.478 368 G N 3.579 112.195 108.800 -0.307 0.000 2.632 368 G HA2 0.412 4.372 3.960 -0.001 0.000 0.220 368 G HA3 0.412 4.372 3.960 -0.001 0.000 0.220 368 G C 0.352 175.266 174.900 0.023 0.000 1.439 368 G CA 0.508 45.571 45.100 -0.061 0.000 0.934 368 G HN 1.038 nan 8.290 nan 0.000 0.536 369 A N 0.268 123.127 122.820 0.064 0.000 2.943 369 A HA 0.676 4.996 4.320 -0.001 0.000 0.327 369 A C -1.708 175.841 177.584 -0.057 0.000 1.141 369 A CA -0.848 51.203 52.037 0.024 0.000 0.773 369 A CB 1.369 20.426 19.000 0.096 0.000 1.143 369 A HN 0.172 nan 8.150 nan 0.000 0.463 370 P HA 0.028 nan 4.420 nan 0.000 0.215 370 P C 0.731 177.963 177.300 -0.113 0.000 1.157 370 P CA 2.056 64.877 63.100 -0.465 0.000 0.863 370 P CB 0.393 31.860 31.700 -0.388 0.000 0.787 371 A N -2.547 120.330 122.820 0.094 0.000 2.567 371 A HA 0.660 4.979 4.320 -0.001 0.000 0.289 371 A C -2.931 174.710 177.584 0.095 0.000 1.177 371 A CA -1.751 50.375 52.037 0.148 0.000 0.694 371 A CB 0.229 19.251 19.000 0.036 0.000 1.292 371 A HN -0.225 nan 8.150 nan 0.000 0.425 372 P HA 0.360 nan 4.420 nan 0.000 0.271 372 P C -0.558 176.710 177.300 -0.053 0.000 1.226 372 P CA 0.617 63.638 63.100 -0.132 0.000 0.765 372 P CB 0.454 31.971 31.700 -0.305 0.000 0.835 373 E N -0.586 119.601 120.200 -0.022 0.000 3.763 373 E HA -0.213 4.137 4.350 -0.001 0.000 0.319 373 E C -0.224 176.365 176.600 -0.018 0.000 0.804 373 E CA 0.615 56.997 56.400 -0.029 0.000 1.196 373 E CB -1.218 28.468 29.700 -0.024 0.000 1.607 373 E HN 0.646 nan 8.360 nan 0.000 0.431 374 Q N -0.405 119.397 119.800 0.004 0.000 2.348 374 Q HA 0.648 4.988 4.340 -0.001 0.000 0.271 374 Q C 0.493 176.500 176.000 0.012 0.000 1.067 374 Q CA -0.064 55.801 55.803 0.105 0.000 0.839 374 Q CB 2.489 31.381 28.738 0.256 0.000 1.354 374 Q HN 0.214 nan 8.270 nan 0.000 0.447 375 G N 0.129 109.035 108.800 0.177 0.000 2.416 375 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.203 375 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.203 375 G C -0.891 174.011 174.900 0.003 0.000 1.227 375 G CA -0.328 44.756 45.100 -0.027 0.000 1.041 375 G HN 0.973 nan 8.290 nan 0.000 0.546 376 H N -0.442 118.583 119.070 -0.075 0.000 2.672 376 H HA -0.063 4.492 4.556 -0.001 0.000 0.325 376 H C -0.284 175.023 175.328 -0.035 0.000 1.158 376 H CA 0.620 56.639 56.048 -0.048 0.000 1.134 376 H CB -1.759 28.057 29.762 0.090 0.000 1.553 376 H HN 0.696 nan 8.280 nan 0.000 0.419 377 T N 1.452 115.919 114.554 -0.146 0.000 2.952 377 T HA 0.382 4.732 4.350 -0.001 0.000 0.305 377 T C -0.520 174.190 174.700 0.017 0.000 1.064 377 T CA -0.861 61.300 62.100 0.102 0.000 1.008 377 T CB 2.202 71.282 68.868 0.354 0.000 1.078 377 T HN 0.206 nan 8.240 nan 0.000 0.459 378 L N 3.872 125.300 121.223 0.340 0.000 2.292 378 L HA 0.627 4.967 4.340 -0.001 0.000 0.284 378 L C -1.196 175.936 176.870 0.438 0.000 1.065 378 L CA -0.503 54.599 54.840 0.437 0.000 0.806 378 L CB 0.391 42.745 42.059 0.491 0.000 1.175 378 L HN 0.596 nan 8.230 nan 0.000 0.431 379 L N 6.069 127.497 121.223 0.341 0.000 2.298 379 L HA 0.730 5.069 4.340 -0.001 0.000 0.284 379 L C 0.424 177.441 176.870 0.245 0.000 1.013 379 L CA -0.394 54.624 54.840 0.296 0.000 0.824 379 L CB 0.899 43.102 42.059 0.240 0.000 1.221 379 L HN 0.929 nan 8.230 nan 0.000 0.418 380 G N 2.488 111.452 108.800 0.273 0.000 2.712 380 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.686 380 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.686 380 G C -1.096 173.951 174.900 0.244 0.000 1.321 380 G CA -0.824 44.405 45.100 0.215 0.000 0.813 380 G HN 0.695 nan 8.290 nan 0.000 0.599 381 D N 1.746 122.245 120.400 0.165 0.000 2.359 381 D HA 0.570 5.209 4.640 -0.001 0.000 0.230 381 D C -0.748 175.499 176.300 -0.088 0.000 1.118 381 D CA -2.360 51.669 54.000 0.049 0.000 0.844 381 D CB 1.462 42.328 40.800 0.111 0.000 1.059 381 D HN 0.033 nan 8.370 nan 0.000 0.493 382 P HA -0.071 nan 4.420 nan 0.000 0.223 382 P C 0.992 178.181 177.300 -0.185 0.000 1.144 382 P CA 0.710 63.682 63.100 -0.213 0.000 0.783 382 P CB 0.353 31.872 31.700 -0.301 0.000 0.771 383 S N -1.462 114.160 115.700 -0.129 0.000 2.453 383 S HA -0.037 4.432 4.470 -0.001 0.000 0.231 383 S C 1.058 175.618 174.600 -0.068 0.000 1.005 383 S CA 0.824 59.001 58.200 -0.038 0.000 0.949 383 S CB -0.461 62.734 63.200 -0.008 0.000 0.774 383 S HN 0.136 nan 8.310 nan 0.000 0.510 384 N N 0.792 119.376 118.700 -0.193 0.000 2.700 384 N HA 0.278 5.018 4.740 -0.001 0.000 0.242 384 N C -3.355 171.953 175.510 -0.338 0.000 1.541 384 N CA -1.556 51.323 53.050 -0.285 0.000 0.764 384 N CB 0.765 39.204 38.487 -0.080 0.000 1.319 384 N HN -0.034 nan 8.380 nan 0.000 0.518 385 P HA 0.167 nan 4.420 nan 0.000 0.263 385 P C -0.340 176.835 177.300 -0.208 0.000 1.195 385 P CA 0.430 63.338 63.100 -0.321 0.000 0.762 385 P CB 0.552 32.025 31.700 -0.379 0.000 0.799 386 D N 1.708 122.048 120.400 -0.099 0.000 2.848 386 D HA 0.063 4.703 4.640 -0.001 0.000 0.303 386 D C -0.340 175.951 176.300 -0.016 0.000 1.665 386 D CA -0.090 53.879 54.000 -0.052 0.000 0.807 386 D CB -0.993 39.783 40.800 -0.040 0.000 1.288 386 D HN 0.170 nan 8.370 nan 0.000 0.441 387 L N 0.298 121.516 121.223 -0.008 0.000 2.456 387 L HA 0.353 4.692 4.340 -0.001 0.000 0.257 387 L C 0.896 177.772 176.870 0.011 0.000 1.162 387 L CA -0.134 54.712 54.840 0.010 0.000 0.808 387 L CB 0.852 42.925 42.059 0.024 0.000 1.136 387 L HN -0.096 nan 8.230 nan 0.000 0.466 388 E N 1.189 121.398 120.200 0.014 0.000 3.846 388 E HA 0.111 4.461 4.350 -0.001 0.000 0.216 388 E C 0.803 177.411 176.600 0.014 0.000 1.092 388 E CA -0.050 56.362 56.400 0.020 0.000 1.370 388 E CB 0.984 30.699 29.700 0.024 0.000 1.227 388 E HN 0.390 nan 8.360 nan 0.000 0.442 389 V N -0.107 119.805 119.914 -0.003 0.000 2.828 389 V HA -0.132 3.987 4.120 -0.001 0.000 0.260 389 V C 1.453 177.532 176.094 -0.025 0.000 1.101 389 V CA 1.631 63.914 62.300 -0.028 0.000 1.123 389 V CB -0.985 30.793 31.823 -0.076 0.000 0.704 389 V HN 0.666 nan 8.190 nan 0.000 0.493 390 G N -0.285 108.527 108.800 0.020 0.000 2.662 390 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.236 390 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.236 390 G C -0.800 174.133 174.900 0.055 0.000 1.212 390 G CA -0.020 45.131 45.100 0.085 0.000 0.968 390 G HN 0.318 nan 8.290 nan 0.000 0.576 391 L N 1.555 122.739 121.223 -0.066 0.000 2.325 391 L HA 0.810 5.150 4.340 -0.001 0.000 0.278 391 L C 0.326 177.033 176.870 -0.272 0.000 1.023 391 L CA -0.308 54.339 54.840 -0.322 0.000 0.811 391 L CB 1.919 43.654 42.059 -0.539 0.000 1.249 391 L HN 0.950 nan 8.230 nan 0.000 0.431 392 S N 1.218 116.701 115.700 -0.362 0.000 2.449 392 S HA 0.245 4.715 4.470 -0.001 0.000 0.310 392 S C 1.067 175.485 174.600 -0.304 0.000 1.096 392 S CA -0.030 57.920 58.200 -0.416 0.000 1.095 392 S CB 1.330 64.042 63.200 -0.814 0.000 1.007 392 S HN 0.762 nan 8.310 nan 0.000 0.474 393 S N 2.638 118.213 115.700 -0.208 0.000 2.407 393 S HA -0.114 4.356 4.470 -0.001 0.000 0.235 393 S C 1.286 175.844 174.600 -0.070 0.000 1.036 393 S CA 1.137 59.271 58.200 -0.111 0.000 1.013 393 S CB -0.538 62.622 63.200 -0.067 0.000 0.820 393 S HN 0.969 nan 8.310 nan 0.000 0.476 394 G N 0.949 109.711 108.800 -0.064 0.000 4.098 394 G HA2 0.314 4.273 3.960 -0.001 0.000 0.300 394 G HA3 0.314 4.273 3.960 -0.001 0.000 0.300 394 G C -0.245 174.733 174.900 0.129 0.000 1.187 394 G CA -0.480 44.655 45.100 0.058 0.000 0.964 394 G HN 0.445 nan 8.290 nan 0.000 0.559 395 Q N 0.285 120.099 119.800 0.023 0.000 2.230 395 Q HA 0.303 4.642 4.340 -0.001 0.000 0.248 395 Q C 1.560 177.577 176.000 0.029 0.000 0.915 395 Q CA -0.038 55.794 55.803 0.048 0.000 0.900 395 Q CB 1.579 30.264 28.738 -0.088 0.000 1.229 395 Q HN 0.180 nan 8.270 nan 0.000 0.439 396 G N 2.595 111.422 108.800 0.045 0.000 2.517 396 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.222 396 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.222 396 G C 0.712 175.686 174.900 0.125 0.000 1.109 396 G CA 1.072 46.221 45.100 0.083 0.000 0.746 396 G HN 0.637 nan 8.290 nan 0.000 0.576 397 A N -0.929 121.970 122.820 0.132 0.000 2.610 397 A HA 0.485 4.805 4.320 -0.001 0.000 0.291 397 A C 1.695 179.317 177.584 0.063 0.000 1.116 397 A CA 1.134 53.280 52.037 0.181 0.000 0.963 397 A CB -0.273 18.994 19.000 0.445 0.000 1.220 397 A HN 0.209 nan 8.150 nan 0.000 0.530 398 T N 1.165 115.704 114.554 -0.025 0.000 2.699 398 T HA -0.237 4.112 4.350 -0.001 0.000 0.268 398 T C 1.743 176.382 174.700 -0.102 0.000 1.036 398 T CA 2.457 64.481 62.100 -0.127 0.000 1.147 398 T CB -0.454 68.335 68.868 -0.132 0.000 0.862 398 T HN 0.680 nan 8.240 nan 0.000 0.446 399 D N 1.065 121.440 120.400 -0.041 0.000 2.144 399 D HA -0.099 4.541 4.640 -0.001 0.000 0.200 399 D C 2.263 178.540 176.300 -0.038 0.000 0.978 399 D CA 0.999 54.978 54.000 -0.034 0.000 0.833 399 D CB -0.879 39.920 40.800 -0.002 0.000 0.961 399 D HN 0.493 nan 8.370 nan 0.000 0.470 400 L N -0.650 120.557 121.223 -0.027 0.000 2.093 400 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 400 L C 2.638 179.557 176.870 0.083 0.000 1.085 400 L CA 0.699 55.522 54.840 -0.028 0.000 0.755 400 L CB -0.449 41.607 42.059 -0.005 0.000 0.904 400 L HN -0.009 nan 8.230 nan 0.000 0.435 401 M N -0.204 119.444 119.600 0.080 0.000 2.279 401 M HA -0.080 4.400 4.480 -0.001 0.000 0.264 401 M C 2.224 178.668 176.300 0.240 0.000 1.062 401 M CA 1.520 56.887 55.300 0.111 0.000 1.099 401 M CB -1.587 30.805 32.600 -0.347 0.000 1.394 401 M HN 0.273 nan 8.290 nan 0.000 0.426 402 G N -1.006 107.860 108.800 0.110 0.000 2.426 402 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.214 402 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.214 402 G C 1.526 176.585 174.900 0.265 0.000 1.156 402 G CA 0.909 46.151 45.100 0.237 0.000 0.802 402 G HN 0.403 nan 8.290 nan 0.000 0.534 403 T N 1.910 116.552 114.554 0.148 0.000 2.732 403 T HA -0.019 4.331 4.350 -0.001 0.000 0.261 403 T C 2.244 177.085 174.700 0.234 0.000 1.040 403 T CA 0.671 62.848 62.100 0.129 0.000 1.145 403 T CB -0.313 68.473 68.868 -0.136 0.000 0.866 403 T HN 0.032 nan 8.240 nan 0.000 0.427 404 L N 1.533 122.895 121.223 0.232 0.000 1.991 404 L HA -0.142 4.198 4.340 -0.001 0.000 0.221 404 L C 2.341 179.476 176.870 0.442 0.000 1.079 404 L CA 2.024 57.083 54.840 0.365 0.000 0.778 404 L CB -1.391 40.894 42.059 0.376 0.000 0.893 404 L HN 0.292 nan 8.230 nan 0.000 0.437 405 L N -0.341 121.138 121.223 0.428 0.000 1.943 405 L HA -0.243 4.097 4.340 -0.001 0.000 0.215 405 L C 2.519 179.606 176.870 0.362 0.000 1.074 405 L CA 2.126 57.178 54.840 0.353 0.000 0.759 405 L CB -0.668 41.553 42.059 0.270 0.000 0.888 405 L HN 0.216 nan 8.230 nan 0.000 0.433 406 M N -0.739 119.042 119.600 0.303 0.000 2.213 406 M HA -0.163 4.317 4.480 -0.001 0.000 0.263 406 M C 2.579 178.932 176.300 0.089 0.000 1.062 406 M CA 1.746 57.107 55.300 0.102 0.000 1.105 406 M CB -1.600 31.089 32.600 0.147 0.000 1.385 406 M HN 0.572 nan 8.290 nan 0.000 0.417 407 S N 0.824 116.755 115.700 0.385 0.000 2.351 407 S HA -0.106 4.363 4.470 -0.001 0.000 0.220 407 S C 1.865 176.730 174.600 0.441 0.000 1.035 407 S CA 1.040 59.591 58.200 0.584 0.000 1.031 407 S CB -0.000 63.677 63.200 0.795 0.000 0.928 407 S HN 0.277 nan 8.310 nan 0.000 0.433 408 I N 1.891 122.634 120.570 0.288 0.000 2.208 408 I HA -0.131 4.039 4.170 -0.001 0.000 0.245 408 I C 2.491 178.538 176.117 -0.118 0.000 1.097 408 I CA 1.574 62.837 61.300 -0.062 0.000 1.363 408 I CB -2.278 35.420 38.000 -0.503 0.000 1.051 408 I HN 0.341 nan 8.210 nan 0.000 0.413 409 T N 0.668 115.214 114.554 -0.015 0.000 2.665 409 T HA -0.234 4.115 4.350 -0.001 0.000 0.268 409 T C 1.887 176.643 174.700 0.093 0.000 1.035 409 T CA 1.750 63.888 62.100 0.063 0.000 1.151 409 T CB -0.474 68.393 68.868 -0.002 0.000 0.862 409 T HN 0.168 nan 8.240 nan 0.000 0.438 410 Y N 1.067 121.486 120.300 0.199 0.000 2.109 410 Y HA 0.032 4.581 4.550 -0.001 0.000 0.285 410 Y C 2.319 178.283 175.900 0.107 0.000 1.131 410 Y CA 0.101 58.305 58.100 0.174 0.000 1.121 410 Y CB -1.323 37.253 38.460 0.194 0.000 0.987 410 Y HN 0.084 nan 8.280 nan 0.000 0.495 411 L N -0.079 121.292 121.223 0.246 0.000 2.010 411 L HA -0.236 4.104 4.340 -0.001 0.000 0.219 411 L C 2.191 179.027 176.870 -0.056 0.000 1.077 411 L CA 1.755 56.567 54.840 -0.046 0.000 0.773 411 L CB -1.227 40.696 42.059 -0.227 0.000 0.892 411 L HN 0.078 nan 8.230 nan 0.000 0.436 412 V N -0.244 119.656 119.914 -0.024 0.000 2.282 412 V HA -0.405 3.714 4.120 -0.001 0.000 0.249 412 V C 2.684 178.821 176.094 0.072 0.000 1.057 412 V CA 2.483 64.783 62.300 0.000 0.000 1.032 412 V CB -0.700 31.159 31.823 0.060 0.000 0.645 412 V HN 0.665 nan 8.190 nan 0.000 0.447 413 M N -0.834 118.866 119.600 0.167 0.000 2.202 413 M HA -0.273 4.206 4.480 -0.001 0.000 0.262 413 M C 2.275 178.738 176.300 0.271 0.000 1.063 413 M CA 1.849 57.305 55.300 0.259 0.000 1.097 413 M CB -0.124 32.670 32.600 0.322 0.000 1.382 413 M HN 0.445 nan 8.290 nan 0.000 0.413 414 Q N -0.108 119.805 119.800 0.188 0.000 2.062 414 Q HA -0.084 4.256 4.340 -0.001 0.000 0.196 414 Q C 2.017 178.083 176.000 0.110 0.000 0.967 414 Q CA 1.238 57.162 55.803 0.201 0.000 0.832 414 Q CB -0.071 28.697 28.738 0.051 0.000 0.899 414 Q HN 0.531 nan 8.270 nan 0.000 0.442 415 L N 0.803 122.019 121.223 -0.011 0.000 2.083 415 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 415 L C 1.742 178.557 176.870 -0.092 0.000 1.083 415 L CA 0.844 55.628 54.840 -0.094 0.000 0.752 415 L CB -0.414 41.553 42.059 -0.153 0.000 0.899 415 L HN 0.172 nan 8.230 nan 0.000 0.433 416 D N -1.050 119.303 120.400 -0.078 0.000 2.144 416 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 416 D C 1.887 177.979 176.300 -0.346 0.000 0.978 416 D CA 1.277 55.138 54.000 -0.232 0.000 0.833 416 D CB 0.050 40.681 40.800 -0.282 0.000 0.961 416 D HN 0.417 nan 8.370 nan 0.000 0.470 417 H N -2.026 117.069 119.070 0.040 0.000 2.893 417 H HA 0.204 4.759 4.556 -0.001 0.000 0.270 417 H C 1.161 176.518 175.328 0.047 0.000 1.095 417 H CA 0.891 56.964 56.048 0.042 0.000 1.186 417 H CB 1.157 30.954 29.762 0.058 0.000 1.562 417 H HN 0.210 nan 8.280 nan 0.000 0.536 418 T N -3.502 111.144 114.554 0.155 0.000 3.074 418 T HA 0.375 4.725 4.350 -0.001 0.000 0.258 418 T C 0.927 175.660 174.700 0.056 0.000 0.891 418 T CA 0.343 62.538 62.100 0.158 0.000 0.867 418 T CB 0.278 69.369 68.868 0.373 0.000 1.261 418 T HN 0.121 nan 8.240 nan 0.000 0.537 419 A N 2.020 124.788 122.820 -0.087 0.000 3.365 419 A HA 0.679 4.999 4.320 -0.001 0.000 0.258 419 A C -2.230 175.042 177.584 -0.521 0.000 0.964 419 A CA -0.947 50.835 52.037 -0.425 0.000 0.988 419 A CB 0.563 19.403 19.000 -0.267 0.000 1.193 419 A HN 0.241 nan 8.150 nan 0.000 0.508 420 P HA -0.147 nan 4.420 nan 0.000 0.226 420 P C 0.917 178.100 177.300 -0.196 0.000 1.153 420 P CA 1.413 64.381 63.100 -0.221 0.000 0.777 420 P CB -0.222 31.411 31.700 -0.113 0.000 0.794 421 H N -2.043 117.002 119.070 -0.041 0.000 2.556 421 H HA 0.134 4.689 4.556 -0.001 0.000 0.268 421 H C 1.358 176.641 175.328 -0.076 0.000 0.996 421 H CA 0.371 56.393 56.048 -0.043 0.000 1.157 421 H CB -1.416 28.339 29.762 -0.012 0.000 1.355 421 H HN 0.119 nan 8.280 nan 0.000 0.597 422 L N -0.187 120.957 121.223 -0.131 0.000 2.585 422 L HA 0.102 4.441 4.340 -0.001 0.000 0.226 422 L C 1.237 177.898 176.870 -0.347 0.000 1.113 422 L CA -0.051 54.673 54.840 -0.195 0.000 0.876 422 L CB -0.058 41.826 42.059 -0.291 0.000 1.072 422 L HN 0.205 nan 8.230 nan 0.000 0.468 423 N N 0.364 118.913 118.700 -0.252 0.000 2.166 423 N HA -0.172 4.568 4.740 -0.001 0.000 0.186 423 N C 2.075 177.474 175.510 -0.186 0.000 1.019 423 N CA 1.731 54.642 53.050 -0.232 0.000 0.856 423 N CB -0.315 38.076 38.487 -0.160 0.000 0.993 423 N HN 0.340 nan 8.380 nan 0.000 0.426 424 S N 0.589 116.213 115.700 -0.127 0.000 2.440 424 S HA -0.033 4.437 4.470 -0.001 0.000 0.238 424 S C 1.692 176.233 174.600 -0.100 0.000 1.010 424 S CA 0.615 58.764 58.200 -0.086 0.000 0.972 424 S CB -0.104 63.069 63.200 -0.045 0.000 0.774 424 S HN 0.227 nan 8.310 nan 0.000 0.501 425 R N 0.763 121.166 120.500 -0.161 0.000 2.193 425 R HA 0.275 4.614 4.340 -0.001 0.000 0.213 425 R C 0.348 176.555 176.300 -0.155 0.000 1.055 425 R CA 0.525 56.537 56.100 -0.146 0.000 0.995 425 R CB -0.314 29.865 30.300 -0.201 0.000 0.893 425 R HN 0.498 nan 8.270 nan 0.000 0.459 426 I N 1.311 121.748 120.570 -0.221 0.000 2.479 426 I HA 0.155 4.325 4.170 -0.001 0.000 0.279 426 I C 0.707 176.761 176.117 -0.105 0.000 1.102 426 I CA -0.091 61.111 61.300 -0.164 0.000 1.196 426 I CB 1.147 39.003 38.000 -0.240 0.000 1.427 426 I HN -0.152 nan 8.210 nan 0.000 0.503 427 K N 2.029 122.392 120.400 -0.063 0.000 2.287 427 K HA 0.106 4.425 4.320 -0.001 0.000 0.199 427 K C -0.114 176.467 176.600 -0.031 0.000 1.061 427 K CA 0.555 56.814 56.287 -0.046 0.000 0.976 427 K CB 0.359 32.839 32.500 -0.034 0.000 0.898 427 K HN 0.628 nan 8.250 nan 0.000 0.492 428 D N -2.185 118.203 120.400 -0.020 0.000 2.744 428 D HA 0.134 4.774 4.640 -0.001 0.000 0.304 428 D C 0.681 176.979 176.300 -0.002 0.000 1.179 428 D CA -0.715 53.279 54.000 -0.009 0.000 1.024 428 D CB 0.280 41.079 40.800 -0.003 0.000 1.453 428 D HN -0.362 nan 8.370 nan 0.000 0.529 429 M N -0.460 119.143 119.600 0.005 0.000 2.115 429 M HA -0.015 4.465 4.480 -0.001 0.000 0.258 429 M C -1.001 175.310 176.300 0.018 0.000 1.071 429 M CA 1.776 57.083 55.300 0.012 0.000 1.100 429 M CB -2.361 30.249 32.600 0.017 0.000 1.292 429 M HN 0.379 nan 8.290 nan 0.000 0.415 430 P HA -0.136 nan 4.420 nan 0.000 0.215 430 P C 1.719 179.040 177.300 0.035 0.000 1.163 430 P CA 2.505 65.623 63.100 0.029 0.000 0.894 430 P CB -0.367 31.348 31.700 0.026 0.000 0.791 431 S N -0.797 114.920 115.700 0.029 0.000 2.399 431 S HA -0.143 4.327 4.470 -0.001 0.000 0.231 431 S C 2.038 176.672 174.600 0.058 0.000 1.022 431 S CA 1.238 59.461 58.200 0.039 0.000 0.983 431 S CB -1.406 61.804 63.200 0.017 0.000 0.803 431 S HN 0.136 nan 8.310 nan 0.000 0.480 432 A N 1.446 124.286 122.820 0.034 0.000 1.845 432 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 432 A C 2.583 180.192 177.584 0.042 0.000 1.195 432 A CA 1.522 53.580 52.037 0.035 0.000 0.616 432 A CB -1.655 17.344 19.000 -0.001 0.000 0.832 432 A HN 0.735 nan 8.150 nan 0.000 0.443 433 C N -0.946 118.364 119.300 0.016 0.000 2.367 433 C HA -0.174 4.285 4.460 -0.001 0.000 0.276 433 C C 2.754 177.757 174.990 0.021 0.000 1.195 433 C CA 1.238 60.255 59.018 -0.002 0.000 1.756 433 C CB -1.598 26.162 27.740 0.032 0.000 2.046 433 C HN 0.629 nan 8.230 nan 0.000 0.453 434 R N -0.225 120.312 120.500 0.061 0.000 2.133 434 R HA -0.243 4.097 4.340 -0.001 0.000 0.245 434 R C 2.080 178.430 176.300 0.084 0.000 1.137 434 R CA 2.397 58.545 56.100 0.080 0.000 0.947 434 R CB -0.762 29.591 30.300 0.087 0.000 0.865 434 R HN 0.653 nan 8.270 nan 0.000 0.437 435 F N 0.975 120.912 119.950 -0.023 0.000 2.186 435 F HA -0.166 4.360 4.527 -0.000 0.000 0.299 435 F C 1.982 177.748 175.800 -0.056 0.000 1.090 435 F CA 1.122 59.103 58.000 -0.031 0.000 1.307 435 F CB -0.270 38.692 39.000 -0.064 0.000 1.019 435 F HN -0.039 nan 8.300 nan 0.000 0.489 436 L N 0.930 122.045 121.223 -0.179 0.000 1.988 436 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 436 L C 2.370 179.014 176.870 -0.376 0.000 1.071 436 L CA 2.413 56.992 54.840 -0.434 0.000 0.744 436 L CB -1.298 40.456 42.059 -0.509 0.000 0.893 436 L HN 0.316 nan 8.230 nan 0.000 0.433 437 D N -1.401 118.909 120.400 -0.150 0.000 2.190 437 D HA -0.240 4.400 4.640 -0.001 0.000 0.200 437 D C 2.049 178.437 176.300 0.148 0.000 0.992 437 D CA 1.479 55.558 54.000 0.131 0.000 0.854 437 D CB 0.171 41.106 40.800 0.224 0.000 0.936 437 D HN 0.475 nan 8.370 nan 0.000 0.462 438 S N -1.124 114.569 115.700 -0.011 0.000 2.338 438 S HA -0.222 4.248 4.470 -0.001 0.000 0.218 438 S C 2.121 176.662 174.600 -0.098 0.000 1.032 438 S CA 1.155 59.337 58.200 -0.030 0.000 0.999 438 S CB -0.867 62.283 63.200 -0.084 0.000 0.905 438 S HN 0.509 nan 8.310 nan 0.000 0.439 439 Y N -0.074 119.955 120.300 -0.451 0.000 2.274 439 Y HA -0.126 4.423 4.550 -0.001 0.000 0.290 439 Y C 1.806 177.656 175.900 -0.084 0.000 1.145 439 Y CA 1.821 59.675 58.100 -0.409 0.000 1.203 439 Y CB -0.271 37.764 38.460 -0.707 0.000 0.984 439 Y HN 0.394 nan 8.280 nan 0.000 0.533 440 W N 1.004 122.144 121.300 -0.268 0.000 2.519 440 W HA -0.049 4.611 4.660 -0.000 0.000 0.266 440 W C 1.815 178.243 176.519 -0.152 0.000 1.253 440 W CA 0.912 58.080 57.345 -0.295 0.000 1.274 440 W CB -0.540 28.756 29.460 -0.273 0.000 1.114 440 W HN 0.293 nan 8.180 nan 0.000 0.596 441 Q N -0.704 119.131 119.800 0.057 0.000 2.403 441 Q HA 0.164 4.504 4.340 -0.001 0.000 0.203 441 Q C 1.702 177.321 176.000 -0.635 0.000 0.932 441 Q CA 0.769 56.437 55.803 -0.226 0.000 0.945 441 Q CB -0.012 28.500 28.738 -0.376 0.000 1.045 441 Q HN 0.276 nan 8.270 nan 0.000 0.511 442 G N 1.400 109.901 108.800 -0.498 0.000 2.155 442 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.257 442 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.257 442 G C -0.054 174.547 174.900 -0.499 0.000 0.983 442 G CA 0.442 45.112 45.100 -0.717 0.000 0.676 442 G HN 0.619 nan 8.290 nan 0.000 0.528 443 H N 0.954 119.865 119.070 -0.265 0.000 3.109 443 H HA 0.368 4.924 4.556 -0.001 0.000 0.298 443 H C 0.541 175.815 175.328 -0.090 0.000 1.248 443 H CA 0.251 56.207 56.048 -0.154 0.000 1.204 443 H CB 0.219 29.924 29.762 -0.095 0.000 1.367 443 H HN 0.361 nan 8.280 nan 0.000 0.592 444 E N 0.136 120.335 120.200 -0.003 0.000 2.449 444 E HA -0.010 4.340 4.350 -0.001 0.000 0.278 444 E C 0.541 177.166 176.600 0.041 0.000 0.992 444 E CA -0.403 56.023 56.400 0.042 0.000 0.807 444 E CB 1.437 31.170 29.700 0.055 0.000 1.350 444 E HN 0.556 nan 8.360 nan 0.000 0.462 445 E N 0.915 121.167 120.200 0.087 0.000 2.285 445 E HA -0.017 4.332 4.350 -0.001 0.000 0.194 445 E C 0.733 177.329 176.600 -0.006 0.000 0.997 445 E CA 0.546 56.992 56.400 0.077 0.000 0.845 445 E CB -0.053 29.730 29.700 0.139 0.000 0.782 445 E HN 0.434 nan 8.360 nan 0.000 0.491 446 I N -1.172 119.376 120.570 -0.036 0.000 2.460 446 I HA 0.603 4.773 4.170 -0.001 0.000 0.298 446 I C -0.351 175.659 176.117 -0.180 0.000 0.989 446 I CA -1.267 59.859 61.300 -0.290 0.000 1.173 446 I CB 1.746 39.591 38.000 -0.259 0.000 1.338 446 I HN -0.151 nan 8.210 nan 0.000 0.456 447 R N 3.033 123.219 120.500 -0.524 0.000 2.817 447 R HA 0.578 4.918 4.340 -0.001 0.000 0.268 447 R C -1.502 174.485 176.300 -0.523 0.000 1.027 447 R CA -0.900 54.936 56.100 -0.441 0.000 0.928 447 R CB 2.351 32.498 30.300 -0.254 0.000 1.228 447 R HN 0.783 nan 8.270 nan 0.000 0.469 448 Q N 2.087 121.719 119.800 -0.279 0.000 2.327 448 Q HA 0.441 4.781 4.340 -0.001 0.000 0.265 448 Q C -1.726 174.204 176.000 -0.117 0.000 0.993 448 Q CA -0.710 54.975 55.803 -0.196 0.000 0.885 448 Q CB 1.913 30.605 28.738 -0.077 0.000 1.379 448 Q HN 0.670 nan 8.270 nan 0.000 0.408 449 I N 0.784 121.267 120.570 -0.145 0.000 2.509 449 I HA 0.873 5.043 4.170 -0.001 0.000 0.293 449 I C -0.897 175.053 176.117 -0.280 0.000 1.020 449 I CA -0.699 60.434 61.300 -0.279 0.000 1.088 449 I CB 2.144 39.772 38.000 -0.621 0.000 1.267 449 I HN 0.697 nan 8.210 nan 0.000 0.430 450 S N 3.640 119.496 115.700 0.261 0.000 2.556 450 S HA 0.470 4.939 4.470 -0.001 0.000 0.280 450 S C -1.147 173.885 174.600 0.721 0.000 1.141 450 S CA -1.024 57.483 58.200 0.511 0.000 0.883 450 S CB 1.843 65.286 63.200 0.405 0.000 1.103 450 S HN 0.863 nan 8.310 nan 0.000 0.453 451 K N 2.172 122.915 120.400 0.572 0.000 2.579 451 K HA 0.632 4.952 4.320 -0.001 0.000 0.225 451 K C 0.249 176.980 176.600 0.218 0.000 0.992 451 K CA -0.045 56.447 56.287 0.340 0.000 1.018 451 K CB 0.269 32.896 32.500 0.211 0.000 1.249 451 K HN 0.857 nan 8.250 nan 0.000 0.489 452 S N 1.477 117.299 115.700 0.204 0.000 4.114 452 S HA -0.286 4.183 4.470 -0.001 0.000 0.618 452 S C 0.887 175.590 174.600 0.172 0.000 1.937 452 S CA 1.684 59.950 58.200 0.111 0.000 4.228 452 S CB -1.096 62.063 63.200 -0.068 0.000 0.216 452 S HN 0.997 nan 8.310 nan 0.000 0.528 453 D N 2.017 122.425 120.400 0.014 0.000 2.312 453 D HA 0.034 4.673 4.640 -0.001 0.000 0.211 453 D C 0.288 176.733 176.300 0.243 0.000 0.964 453 D CA 1.029 55.107 54.000 0.130 0.000 0.877 453 D CB -0.534 40.284 40.800 0.030 0.000 0.924 453 D HN 0.432 nan 8.370 nan 0.000 0.515 454 D N 0.134 120.660 120.400 0.210 0.000 2.210 454 D HA 0.576 5.216 4.640 -0.001 0.000 0.249 454 D C -0.895 175.655 176.300 0.416 0.000 1.078 454 D CA -0.338 53.818 54.000 0.261 0.000 0.875 454 D CB 1.426 42.309 40.800 0.138 0.000 1.175 454 D HN 0.268 nan 8.370 nan 0.000 0.440 455 A N 3.132 126.142 122.820 0.315 0.000 2.597 455 A HA 0.616 4.935 4.320 -0.001 0.000 0.292 455 A C -1.361 176.133 177.584 -0.151 0.000 1.057 455 A CA -0.740 51.317 52.037 0.033 0.000 0.674 455 A CB 1.178 20.067 19.000 -0.185 0.000 1.278 455 A HN 0.502 nan 8.150 nan 0.000 0.416 456 M N 1.878 121.266 119.600 -0.353 0.000 2.326 456 M HA 0.483 4.963 4.480 -0.001 0.000 0.306 456 M C -1.320 174.908 176.300 -0.121 0.000 1.054 456 M CA -0.296 54.919 55.300 -0.143 0.000 0.922 456 M CB 1.824 34.400 32.600 -0.041 0.000 1.632 456 M HN 0.596 nan 8.290 nan 0.000 0.436 457 L N 1.810 122.934 121.223 -0.165 0.000 2.325 457 L HA 0.884 5.224 4.340 -0.001 0.000 0.278 457 L C 0.340 176.783 176.870 -0.712 0.000 1.023 457 L CA -0.728 53.832 54.840 -0.467 0.000 0.811 457 L CB 1.779 43.624 42.059 -0.356 0.000 1.249 457 L HN 0.813 nan 8.230 nan 0.000 0.431 458 G N 1.561 109.400 108.800 -1.602 0.000 2.571 458 G HA2 0.561 4.520 3.960 -0.001 0.000 0.304 458 G HA3 0.561 4.520 3.960 -0.001 0.000 0.304 458 G C -1.917 172.218 174.900 -1.275 0.000 1.314 458 G CA -0.350 43.693 45.100 -1.762 0.000 0.975 458 G HN 0.479 nan 8.290 nan 0.000 0.485 459 W N 2.255 123.248 121.300 -0.511 0.000 2.538 459 W HA 0.356 5.015 4.660 -0.001 0.000 0.322 459 W C 0.659 177.116 176.519 -0.104 0.000 1.028 459 W CA -0.699 56.498 57.345 -0.246 0.000 1.228 459 W CB 2.215 31.591 29.460 -0.141 0.000 1.356 459 W HN 0.779 nan 8.180 nan 0.000 0.452 460 T N -0.045 114.577 114.554 0.114 0.000 2.732 460 T HA 0.285 4.634 4.350 -0.001 0.000 0.287 460 T C 0.394 175.209 174.700 0.192 0.000 0.993 460 T CA -0.436 61.768 62.100 0.173 0.000 0.966 460 T CB 1.212 70.163 68.868 0.137 0.000 1.047 460 T HN 0.253 nan 8.240 nan 0.000 0.527 461 K N 0.467 120.966 120.400 0.164 0.000 2.414 461 K HA 0.517 4.836 4.320 -0.001 0.000 0.272 461 K C 0.653 177.332 176.600 0.130 0.000 0.993 461 K CA 0.538 56.911 56.287 0.142 0.000 0.964 461 K CB 0.138 32.705 32.500 0.112 0.000 0.925 461 K HN 1.035 nan 8.250 nan 0.000 0.487 462 G N 0.725 109.599 108.800 0.123 0.000 2.362 462 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.288 462 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.288 462 G C -0.165 174.809 174.900 0.123 0.000 1.305 462 G CA -0.868 44.298 45.100 0.110 0.000 0.910 462 G HN 0.547 nan 8.290 nan 0.000 0.518 463 R N -0.142 120.425 120.500 0.112 0.000 2.062 463 R HA 0.089 4.429 4.340 -0.001 0.000 0.231 463 R C 3.119 179.558 176.300 0.232 0.000 1.136 463 R CA 2.107 58.289 56.100 0.137 0.000 0.948 463 R CB -0.513 29.820 30.300 0.055 0.000 0.845 463 R HN 0.672 nan 8.270 nan 0.000 0.430 464 A N 1.538 124.570 122.820 0.353 0.000 1.940 464 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 464 A C 2.103 179.820 177.584 0.222 0.000 1.176 464 A CA 1.304 53.538 52.037 0.328 0.000 0.631 464 A CB -0.634 18.623 19.000 0.428 0.000 0.814 464 A HN 0.274 nan 8.150 nan 0.000 0.446 465 L N -0.144 121.219 121.223 0.233 0.000 2.085 465 L HA -0.225 4.114 4.340 -0.001 0.000 0.218 465 L C 2.457 179.359 176.870 0.054 0.000 1.080 465 L CA 2.524 57.444 54.840 0.132 0.000 0.776 465 L CB -0.642 41.524 42.059 0.178 0.000 0.891 465 L HN 0.289 nan 8.230 nan 0.000 0.437 466 V N -0.572 119.395 119.914 0.088 0.000 2.379 466 V HA -0.084 4.035 4.120 -0.001 0.000 0.245 466 V C 2.361 178.470 176.094 0.024 0.000 1.044 466 V CA 1.886 64.234 62.300 0.080 0.000 1.036 466 V CB -0.773 31.085 31.823 0.058 0.000 0.664 466 V HN 0.577 nan 8.190 nan 0.000 0.453 467 G N -0.463 108.339 108.800 0.003 0.000 2.422 467 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.218 467 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.218 467 G C 1.591 176.394 174.900 -0.163 0.000 1.146 467 G CA 0.832 45.922 45.100 -0.016 0.000 0.769 467 G HN 0.734 nan 8.290 nan 0.000 0.547 468 G N 0.132 108.659 108.800 -0.456 0.000 2.491 468 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 468 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 468 G C 1.626 176.085 174.900 -0.735 0.000 1.180 468 G CA 1.149 45.541 45.100 -1.179 0.000 0.774 468 G HN 0.506 nan 8.290 nan 0.000 0.562 469 H N 0.422 119.264 119.070 -0.381 0.000 2.387 469 H HA -0.003 4.553 4.556 -0.001 0.000 0.299 469 H C 2.923 178.204 175.328 -0.079 0.000 1.099 469 H CA 1.272 57.224 56.048 -0.160 0.000 1.315 469 H CB 0.053 29.743 29.762 -0.121 0.000 1.380 469 H HN 0.165 nan 8.280 nan 0.000 0.513 470 R N 0.609 121.121 120.500 0.019 0.000 2.083 470 R HA -0.129 4.211 4.340 -0.001 0.000 0.237 470 R C 2.494 178.793 176.300 -0.003 0.000 1.137 470 R CA 0.652 56.761 56.100 0.016 0.000 0.951 470 R CB -1.045 29.266 30.300 0.018 0.000 0.851 470 R HN 0.240 nan 8.270 nan 0.000 0.434 471 L N 0.430 121.616 121.223 -0.061 0.000 2.012 471 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 471 L C 2.177 179.058 176.870 0.018 0.000 1.073 471 L CA 1.631 56.421 54.840 -0.083 0.000 0.748 471 L CB -0.904 41.092 42.059 -0.106 0.000 0.891 471 L HN 0.011 nan 8.230 nan 0.000 0.431 472 F N 0.823 120.680 119.950 -0.156 0.000 2.087 472 F HA -0.277 4.249 4.527 -0.001 0.000 0.299 472 F C 2.553 178.343 175.800 -0.018 0.000 1.100 472 F CA 2.076 60.036 58.000 -0.067 0.000 1.226 472 F CB -0.660 38.296 39.000 -0.073 0.000 0.983 472 F HN 0.283 nan 8.300 nan 0.000 0.479 473 E N -0.232 120.082 120.200 0.191 0.000 2.072 473 E HA -0.239 4.110 4.350 -0.001 0.000 0.191 473 E C 2.382 178.981 176.600 -0.001 0.000 0.985 473 E CA 1.360 57.793 56.400 0.055 0.000 0.801 473 E CB -0.467 29.257 29.700 0.039 0.000 0.750 473 E HN 0.462 nan 8.360 nan 0.000 0.452 474 M N -0.443 119.160 119.600 0.005 0.000 2.213 474 M HA -0.149 4.330 4.480 -0.001 0.000 0.263 474 M C 1.397 177.694 176.300 -0.005 0.000 1.062 474 M CA 1.304 56.589 55.300 -0.026 0.000 1.105 474 M CB 0.071 32.618 32.600 -0.088 0.000 1.385 474 M HN 0.169 nan 8.290 nan 0.000 0.417 475 L N -0.379 120.868 121.223 0.040 0.000 2.270 475 L HA -0.102 4.237 4.340 -0.001 0.000 0.210 475 L C 2.412 179.279 176.870 -0.004 0.000 1.104 475 L CA 0.744 55.640 54.840 0.093 0.000 0.804 475 L CB -0.392 41.783 42.059 0.194 0.000 0.937 475 L HN 0.297 nan 8.230 nan 0.000 0.450 476 K N 0.657 120.948 120.400 -0.182 0.000 2.007 476 K HA -0.160 4.160 4.320 -0.001 0.000 0.206 476 K C 1.875 178.351 176.600 -0.207 0.000 1.047 476 K CA 1.287 57.301 56.287 -0.454 0.000 0.937 476 K CB 0.058 32.172 32.500 -0.643 0.000 0.718 476 K HN 0.179 nan 8.250 nan 0.000 0.438 477 E N -0.404 119.716 120.200 -0.134 0.000 2.267 477 E HA -0.105 4.245 4.350 -0.001 0.000 0.197 477 E C 0.639 177.230 176.600 -0.015 0.000 0.998 477 E CA 0.638 56.996 56.400 -0.071 0.000 0.830 477 E CB -0.196 29.472 29.700 -0.053 0.000 0.751 477 E HN 0.631 nan 8.360 nan 0.000 0.491 478 G N 1.263 110.072 108.800 0.014 0.000 2.390 478 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.299 478 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.299 478 G C 0.598 175.524 174.900 0.043 0.000 1.002 478 G CA 1.258 46.394 45.100 0.061 0.000 0.979 478 G HN 0.269 nan 8.290 nan 0.000 0.513 479 K N -1.657 118.758 120.400 0.025 0.000 2.306 479 K HA 0.326 4.645 4.320 -0.001 0.000 0.200 479 K C 0.980 177.595 176.600 0.025 0.000 1.083 479 K CA 0.471 56.772 56.287 0.023 0.000 0.959 479 K CB 0.769 33.277 32.500 0.012 0.000 0.994 479 K HN 0.245 nan 8.250 nan 0.000 0.492 480 V N 2.494 122.421 119.914 0.021 0.000 2.435 480 V HA 0.165 4.285 4.120 -0.001 0.000 0.290 480 V C -0.637 175.474 176.094 0.027 0.000 1.030 480 V CA -1.099 61.215 62.300 0.023 0.000 0.881 480 V CB 1.348 33.184 31.823 0.021 0.000 0.983 480 V HN 0.200 nan 8.190 nan 0.000 0.445 481 N N 6.023 124.742 118.700 0.032 0.000 2.430 481 N HA 0.303 5.043 4.740 -0.001 0.000 0.265 481 N C -1.625 173.914 175.510 0.049 0.000 1.100 481 N CA -1.477 51.595 53.050 0.037 0.000 0.961 481 N CB 1.659 40.161 38.487 0.026 0.000 1.075 481 N HN 0.287 nan 8.380 nan 0.000 0.478 482 P HA 0.016 nan 4.420 nan 0.000 0.222 482 P C -0.143 177.274 177.300 0.195 0.000 1.153 482 P CA 0.528 63.681 63.100 0.088 0.000 0.798 482 P CB 0.362 32.059 31.700 -0.004 0.000 0.796 483 S N -0.376 115.392 115.700 0.114 0.000 2.638 483 S HA 0.440 4.909 4.470 -0.001 0.000 0.298 483 S C -2.030 172.539 174.600 -0.051 0.000 1.111 483 S CA -1.965 56.277 58.200 0.069 0.000 1.027 483 S CB 0.809 64.083 63.200 0.124 0.000 1.064 483 S HN -0.099 nan 8.310 nan 0.000 0.525 484 P HA 0.192 nan 4.420 nan 0.000 0.261 484 P C -0.084 177.023 177.300 -0.322 0.000 1.268 484 P CA 0.293 63.189 63.100 -0.340 0.000 0.833 484 P CB 0.051 31.427 31.700 -0.540 0.000 1.231 485 Y N -0.882 119.474 120.300 0.092 0.000 2.500 485 Y HA 0.338 4.888 4.550 -0.001 0.000 0.284 485 Y C 1.525 177.420 175.900 -0.008 0.000 1.118 485 Y CA 0.450 58.625 58.100 0.125 0.000 1.241 485 Y CB 0.117 38.714 38.460 0.229 0.000 1.171 485 Y HN -0.175 nan 8.280 nan 0.000 0.540 486 M N -0.170 119.480 119.600 0.083 0.000 2.575 486 M HA 0.284 4.764 4.480 -0.001 0.000 0.284 486 M C -0.935 175.305 176.300 -0.100 0.000 1.253 486 M CA -0.919 54.326 55.300 -0.091 0.000 0.861 486 M CB 2.202 34.787 32.600 -0.024 0.000 1.733 486 M HN -0.185 nan 8.290 nan 0.000 0.462 487 K N 2.339 122.612 120.400 -0.212 0.000 2.363 487 K HA 0.434 4.754 4.320 -0.001 0.000 0.289 487 K C -0.765 175.858 176.600 0.038 0.000 1.063 487 K CA -0.013 56.223 56.287 -0.085 0.000 0.967 487 K CB 0.363 32.800 32.500 -0.106 0.000 0.987 487 K HN 0.405 nan 8.250 nan 0.000 0.473 488 I N 1.920 122.542 120.570 0.088 0.000 2.509 488 I HA 0.263 4.433 4.170 -0.001 0.000 0.293 488 I C 0.412 176.629 176.117 0.166 0.000 1.020 488 I CA -0.586 60.811 61.300 0.162 0.000 1.088 488 I CB 1.414 39.541 38.000 0.211 0.000 1.267 488 I HN 0.575 nan 8.210 nan 0.000 0.430 489 S N 4.476 120.293 115.700 0.195 0.000 2.671 489 S HA 0.669 5.139 4.470 -0.001 0.000 0.277 489 S C -0.841 173.921 174.600 0.271 0.000 1.165 489 S CA -0.801 57.534 58.200 0.226 0.000 0.822 489 S CB 1.909 65.222 63.200 0.189 0.000 1.150 489 S HN 0.497 nan 8.310 nan 0.000 0.479 490 Y N 0.448 120.838 120.300 0.150 0.000 2.300 490 Y HA 0.578 5.127 4.550 -0.000 0.000 0.328 490 Y C 0.247 176.253 175.900 0.176 0.000 1.270 490 Y CA -0.909 57.291 58.100 0.167 0.000 1.352 490 Y CB 0.412 39.019 38.460 0.244 0.000 1.286 490 Y HN 0.861 nan 8.280 nan 0.000 0.536 491 Q N 2.545 122.311 119.800 -0.057 0.000 2.314 491 Q HA 0.109 4.449 4.340 -0.001 0.000 0.257 491 Q C -1.261 174.583 176.000 -0.259 0.000 0.975 491 Q CA -0.586 55.138 55.803 -0.130 0.000 0.933 491 Q CB 0.070 28.833 28.738 0.043 0.000 1.195 491 Q HN 0.906 nan 8.270 nan 0.000 0.426 492 H N 3.548 122.355 119.070 -0.437 0.000 3.205 492 H HA 0.304 4.860 4.556 -0.001 0.000 0.262 492 H C -0.006 175.303 175.328 -0.032 0.000 1.333 492 H CA 1.442 57.335 56.048 -0.259 0.000 1.499 492 H CB -0.115 29.520 29.762 -0.211 0.000 1.609 492 H HN 0.885 nan 8.280 nan 0.000 0.498 493 G N 3.533 112.260 108.800 -0.121 0.000 2.859 493 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.251 493 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.251 493 G C 0.320 175.264 174.900 0.074 0.000 0.978 493 G CA -0.497 44.599 45.100 -0.008 0.000 1.270 493 G HN 0.931 nan 8.290 nan 0.000 0.601 494 G N -0.081 108.803 108.800 0.141 0.000 2.343 494 G HA2 0.773 4.732 3.960 -0.001 0.000 0.254 494 G HA3 0.773 4.732 3.960 -0.001 0.000 0.254 494 G C 0.402 175.420 174.900 0.198 0.000 1.277 494 G CA 0.751 45.967 45.100 0.193 0.000 0.909 494 G HN 2.012 nan 8.290 nan 0.000 0.502 495 A N 2.092 125.040 122.820 0.214 0.000 2.589 495 A HA 0.699 5.018 4.320 -0.001 0.000 0.296 495 A C -1.748 176.017 177.584 0.301 0.000 1.062 495 A CA -0.660 51.534 52.037 0.262 0.000 0.686 495 A CB 1.589 20.689 19.000 0.165 0.000 1.282 495 A HN 1.165 nan 8.150 nan 0.000 0.404 496 F N 2.597 122.615 119.950 0.113 0.000 2.536 496 F HA 0.608 5.135 4.527 -0.000 0.000 0.322 496 F C -0.220 175.493 175.800 -0.144 0.000 1.144 496 F CA -1.022 56.958 58.000 -0.034 0.000 0.924 496 F CB 1.284 40.240 39.000 -0.073 0.000 1.181 496 F HN 0.498 nan 8.300 nan 0.000 0.438 497 L N 6.387 127.193 121.223 -0.696 0.000 3.746 497 L HA -0.099 4.241 4.340 -0.001 0.000 0.542 497 L C 1.169 177.834 176.870 -0.341 0.000 1.268 497 L CA 1.338 55.807 54.840 -0.618 0.000 0.818 497 L CB -1.517 40.007 42.059 -0.892 0.000 1.472 497 L HN 1.224 nan 8.230 nan 0.000 0.843 498 G N -1.310 107.369 108.800 -0.201 0.000 2.245 498 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.264 498 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.264 498 G C 0.215 175.100 174.900 -0.025 0.000 0.985 498 G CA 0.453 45.491 45.100 -0.105 0.000 0.625 498 G HN 0.534 nan 8.290 nan 0.000 0.536 499 D N 0.522 120.900 120.400 -0.035 0.000 2.217 499 D HA 0.555 5.195 4.640 -0.001 0.000 0.243 499 D C 0.643 177.089 176.300 0.244 0.000 1.054 499 D CA -0.426 53.618 54.000 0.074 0.000 0.838 499 D CB 1.391 42.174 40.800 -0.029 0.000 1.162 499 D HN 0.262 nan 8.370 nan 0.000 0.472 500 I N 1.820 122.536 120.570 0.244 0.000 2.474 500 I HA 0.045 4.214 4.170 -0.001 0.000 0.287 500 I C 0.125 176.369 176.117 0.212 0.000 1.048 500 I CA -0.797 60.636 61.300 0.221 0.000 1.383 500 I CB 1.091 39.165 38.000 0.123 0.000 1.412 500 I HN 0.083 nan 8.210 nan 0.000 0.531 501 L N 8.052 129.303 121.223 0.047 0.000 2.295 501 L HA 0.228 4.568 4.340 -0.001 0.000 0.288 501 L C -0.504 176.215 176.870 -0.251 0.000 1.079 501 L CA -0.181 54.393 54.840 -0.444 0.000 0.830 501 L CB 0.645 42.353 42.059 -0.585 0.000 1.200 501 L HN 0.400 nan 8.230 nan 0.000 0.438 502 L N 6.742 127.821 121.223 -0.239 0.000 2.328 502 L HA 0.359 4.698 4.340 -0.001 0.000 0.280 502 L C -0.519 176.299 176.870 -0.086 0.000 1.111 502 L CA 0.049 54.851 54.840 -0.063 0.000 0.909 502 L CB -0.424 41.628 42.059 -0.011 0.000 1.277 502 L HN 0.479 nan 8.230 nan 0.000 0.433 503 Y N 2.542 122.854 120.300 0.021 0.000 2.158 503 Y HA 0.212 4.762 4.550 -0.001 0.000 0.365 503 Y C 1.018 176.961 175.900 0.072 0.000 1.301 503 Y CA 0.277 58.398 58.100 0.034 0.000 1.735 503 Y CB 0.456 38.951 38.460 0.059 0.000 1.509 503 Y HN 0.712 nan 8.280 nan 0.000 0.657 504 D N -2.264 118.278 120.400 0.237 0.000 3.035 504 D HA 0.123 4.762 4.640 -0.001 0.000 0.248 504 D C 0.993 177.351 176.300 0.097 0.000 1.260 504 D CA 0.194 54.287 54.000 0.154 0.000 1.058 504 D CB -0.202 40.657 40.800 0.099 0.000 1.262 504 D HN 0.396 nan 8.370 nan 0.000 0.633 505 S N -0.402 115.334 115.700 0.060 0.000 2.374 505 S HA -0.183 4.287 4.470 -0.001 0.000 0.227 505 S C 1.579 176.173 174.600 -0.010 0.000 1.037 505 S CA 0.958 59.164 58.200 0.011 0.000 1.024 505 S CB -0.525 62.686 63.200 0.018 0.000 0.861 505 S HN 0.475 nan 8.310 nan 0.000 0.456 506 R N 0.545 121.057 120.500 0.021 0.000 2.388 506 R HA 0.271 4.611 4.340 -0.001 0.000 0.247 506 R C -0.213 176.100 176.300 0.022 0.000 0.931 506 R CA -0.293 55.813 56.100 0.011 0.000 1.082 506 R CB 0.122 30.436 30.300 0.025 0.000 1.135 506 R HN 0.177 nan 8.270 nan 0.000 0.525 507 R N 1.343 121.866 120.500 0.038 0.000 3.211 507 R HA -0.212 4.128 4.340 -0.001 0.000 0.240 507 R C -0.922 175.423 176.300 0.075 0.000 0.915 507 R CA 1.065 57.166 56.100 0.001 0.000 0.621 507 R CB -1.976 28.215 30.300 -0.181 0.000 1.008 507 R HN 0.506 nan 8.270 nan 0.000 0.471 508 E N -0.417 119.930 120.200 0.245 0.000 2.238 508 E HA 0.229 4.579 4.350 -0.001 0.000 0.267 508 E C -1.814 174.989 176.600 0.337 0.000 0.887 508 E CA -2.303 54.257 56.400 0.266 0.000 0.769 508 E CB 1.634 31.424 29.700 0.150 0.000 1.187 508 E HN -0.210 nan 8.360 nan 0.000 0.416 509 P HA -0.149 nan 4.420 nan 0.000 0.223 509 P C 1.088 178.407 177.300 0.032 0.000 1.144 509 P CA 0.966 64.164 63.100 0.164 0.000 0.783 509 P CB 0.261 32.124 31.700 0.272 0.000 0.771 510 G N 0.301 109.150 108.800 0.083 0.000 2.464 510 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.214 510 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.214 510 G C 1.303 176.205 174.900 0.004 0.000 1.218 510 G CA 1.083 46.209 45.100 0.042 0.000 0.794 510 G HN 0.404 nan 8.290 nan 0.000 0.542 511 S N 0.432 116.146 115.700 0.024 0.000 2.743 511 S HA 0.658 5.128 4.470 -0.001 0.000 0.230 511 S C 0.781 175.365 174.600 -0.027 0.000 0.950 511 S CA 0.168 58.373 58.200 0.008 0.000 0.976 511 S CB 0.084 63.305 63.200 0.034 0.000 0.779 511 S HN 0.598 nan 8.310 nan 0.000 0.487 512 A N 2.011 124.766 122.820 -0.109 0.000 2.271 512 A HA 0.808 5.127 4.320 -0.001 0.000 0.288 512 A C 0.099 177.531 177.584 -0.253 0.000 1.094 512 A CA -0.971 50.905 52.037 -0.268 0.000 0.828 512 A CB 0.211 18.841 19.000 -0.616 0.000 1.091 512 A HN 0.927 nan 8.150 nan 0.000 0.493 513 I N -2.907 117.493 120.570 -0.283 0.000 2.752 513 I HA 0.580 4.750 4.170 -0.001 0.000 0.295 513 I C -1.374 174.598 176.117 -0.242 0.000 1.219 513 I CA -0.722 60.457 61.300 -0.201 0.000 1.030 513 I CB 1.921 39.877 38.000 -0.074 0.000 1.259 513 I HN 0.471 nan 8.210 nan 0.000 0.423 514 F N 4.991 124.894 119.950 -0.079 0.000 2.438 514 F HA 0.562 5.088 4.527 -0.001 0.000 0.356 514 F C 0.602 176.385 175.800 -0.030 0.000 1.099 514 F CA -0.293 57.675 58.000 -0.054 0.000 1.185 514 F CB 1.692 40.662 39.000 -0.050 0.000 1.115 514 F HN 0.456 nan 8.300 nan 0.000 0.526 515 V N 1.222 121.254 119.914 0.195 0.000 3.155 515 V HA 0.928 5.048 4.120 -0.001 0.000 0.313 515 V C 0.078 176.261 176.094 0.147 0.000 1.162 515 V CA -0.899 61.477 62.300 0.127 0.000 1.048 515 V CB 1.180 33.054 31.823 0.085 0.000 1.092 515 V HN 0.746 nan 8.190 nan 0.000 0.447 516 G N 0.528 109.405 108.800 0.128 0.000 2.507 516 G HA2 0.287 4.247 3.960 -0.001 0.000 0.271 516 G HA3 0.287 4.247 3.960 -0.001 0.000 0.271 516 G C -0.279 174.747 174.900 0.210 0.000 1.189 516 G CA -0.514 44.687 45.100 0.168 0.000 0.859 516 G HN 0.921 nan 8.290 nan 0.000 0.542 517 N N 0.669 119.493 118.700 0.207 0.000 2.420 517 N HA 0.022 4.762 4.740 -0.001 0.000 0.262 517 N C 1.102 176.690 175.510 0.129 0.000 1.144 517 N CA -0.645 52.486 53.050 0.136 0.000 0.952 517 N CB 1.120 39.656 38.487 0.082 0.000 1.081 517 N HN 0.201 nan 8.380 nan 0.000 0.480 518 I N 3.967 124.569 120.570 0.053 0.000 2.394 518 I HA -0.125 4.044 4.170 -0.001 0.000 0.251 518 I C 1.639 177.709 176.117 -0.078 0.000 1.136 518 I CA 0.795 62.075 61.300 -0.034 0.000 1.425 518 I CB -0.492 37.529 38.000 0.034 0.000 1.079 518 I HN 0.545 nan 8.210 nan 0.000 0.425 519 N N 0.185 118.835 118.700 -0.082 0.000 2.149 519 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 519 N C 1.969 177.460 175.510 -0.032 0.000 1.019 519 N CA 1.537 54.527 53.050 -0.101 0.000 0.857 519 N CB -0.229 38.123 38.487 -0.225 0.000 0.997 519 N HN 0.311 nan 8.380 nan 0.000 0.426 520 S N 0.946 116.637 115.700 -0.015 0.000 2.383 520 S HA -0.161 4.309 4.470 -0.001 0.000 0.229 520 S C 1.932 176.543 174.600 0.018 0.000 1.030 520 S CA 1.007 59.236 58.200 0.048 0.000 1.002 520 S CB -0.175 63.117 63.200 0.153 0.000 0.829 520 S HN 0.398 nan 8.310 nan 0.000 0.467 521 M N 1.292 120.729 119.600 -0.271 0.000 2.065 521 M HA -0.112 4.367 4.480 -0.001 0.000 0.259 521 M C 1.804 178.076 176.300 -0.046 0.000 1.069 521 M CA 1.599 56.654 55.300 -0.409 0.000 1.110 521 M CB -0.366 31.625 32.600 -1.015 0.000 1.328 521 M HN 0.257 nan 8.290 nan 0.000 0.405 522 L N 0.411 121.672 121.223 0.063 0.000 2.127 522 L HA -0.270 4.069 4.340 -0.001 0.000 0.211 522 L C 2.034 179.095 176.870 0.318 0.000 1.089 522 L CA 1.036 56.070 54.840 0.323 0.000 0.757 522 L CB -1.177 41.092 42.059 0.349 0.000 0.899 522 L HN 0.397 nan 8.230 nan 0.000 0.434 523 N N 0.216 119.025 118.700 0.182 0.000 2.080 523 N HA -0.150 4.590 4.740 -0.001 0.000 0.189 523 N C 1.640 177.241 175.510 0.151 0.000 1.036 523 N CA 1.244 54.395 53.050 0.168 0.000 0.846 523 N CB -0.608 37.940 38.487 0.103 0.000 1.015 523 N HN 0.229 nan 8.380 nan 0.000 0.423 524 N N 1.062 119.834 118.700 0.121 0.000 2.104 524 N HA -0.126 4.614 4.740 -0.001 0.000 0.190 524 N C 1.493 177.053 175.510 0.084 0.000 1.024 524 N CA 0.978 54.101 53.050 0.121 0.000 0.853 524 N CB -0.196 38.393 38.487 0.170 0.000 1.008 524 N HN 0.467 nan 8.380 nan 0.000 0.424 525 Q N -1.907 117.875 119.800 -0.030 0.000 2.354 525 Q HA 0.142 4.482 4.340 -0.001 0.000 0.203 525 Q C 0.551 176.350 176.000 -0.336 0.000 0.933 525 Q CA 0.633 56.283 55.803 -0.254 0.000 0.901 525 Q CB 0.306 28.635 28.738 -0.681 0.000 1.007 525 Q HN 0.440 nan 8.270 nan 0.000 0.495 526 F N -2.233 117.980 119.950 0.438 0.000 2.876 526 F HA 0.242 4.769 4.527 -0.001 0.000 0.344 526 F C 0.487 176.591 175.800 0.507 0.000 1.029 526 F CA -0.351 58.025 58.000 0.627 0.000 1.154 526 F CB 1.294 40.696 39.000 0.670 0.000 1.040 526 F HN -0.333 nan 8.300 nan 0.000 0.576 527 S N 1.751 117.704 115.700 0.421 0.000 2.112 527 S HA 0.349 4.818 4.470 -0.001 0.000 0.151 527 S C -2.689 172.005 174.600 0.157 0.000 1.723 527 S CA -1.033 57.338 58.200 0.286 0.000 1.263 527 S CB 0.518 63.868 63.200 0.250 0.000 1.194 527 S HN -0.211 nan 8.310 nan 0.000 0.419 528 P HA 0.234 nan 4.420 nan 0.000 0.275 528 P C 0.923 178.231 177.300 0.012 0.000 1.228 528 P CA -0.367 62.760 63.100 0.044 0.000 0.786 528 P CB 0.837 32.524 31.700 -0.021 0.000 0.927 529 E N 1.380 121.577 120.200 -0.006 0.000 2.007 529 E HA -0.181 4.168 4.350 -0.001 0.000 0.203 529 E C 0.074 176.522 176.600 -0.254 0.000 1.020 529 E CA 1.767 58.072 56.400 -0.159 0.000 0.845 529 E CB -0.277 29.326 29.700 -0.161 0.000 0.779 529 E HN 0.470 nan 8.360 nan 0.000 0.466 530 Y N -0.745 119.548 120.300 -0.010 0.000 2.480 530 Y HA 0.430 4.979 4.550 -0.001 0.000 0.323 530 Y C 0.965 176.839 175.900 -0.043 0.000 1.267 530 Y CA -0.439 57.646 58.100 -0.026 0.000 1.336 530 Y CB 0.556 39.001 38.460 -0.025 0.000 1.361 530 Y HN -0.013 nan 8.280 nan 0.000 0.518 531 G N -0.471 108.407 108.800 0.130 0.000 2.532 531 G HA2 0.367 4.326 3.960 -0.001 0.000 0.291 531 G HA3 0.367 4.326 3.960 -0.001 0.000 0.291 531 G C 0.654 175.566 174.900 0.019 0.000 1.349 531 G CA -0.184 44.937 45.100 0.035 0.000 1.038 531 G HN 0.693 nan 8.290 nan 0.000 0.518 532 V N -3.569 116.342 119.914 -0.005 0.000 3.041 532 V HA 0.148 4.267 4.120 -0.001 0.000 0.260 532 V C 0.870 176.944 176.094 -0.032 0.000 1.105 532 V CA 1.265 63.556 62.300 -0.014 0.000 1.125 532 V CB -1.413 30.417 31.823 0.011 0.000 0.730 532 V HN 0.739 nan 8.190 nan 0.000 0.479 533 Q N 0.699 120.487 119.800 -0.020 0.000 2.448 533 Q HA -0.181 4.159 4.340 -0.001 0.000 0.357 533 Q C 1.039 177.019 176.000 -0.035 0.000 1.443 533 Q CA 0.546 56.331 55.803 -0.031 0.000 0.996 533 Q CB -1.451 27.253 28.738 -0.057 0.000 1.180 533 Q HN 0.746 nan 8.270 nan 0.000 0.338 534 S N -0.890 114.800 115.700 -0.016 0.000 2.470 534 S HA -0.025 4.444 4.470 -0.001 0.000 0.225 534 S C 1.744 176.339 174.600 -0.009 0.000 1.006 534 S CA 0.637 58.830 58.200 -0.011 0.000 0.934 534 S CB 0.300 63.502 63.200 0.004 0.000 0.778 534 S HN 0.782 nan 8.310 nan 0.000 0.517 535 G N 1.504 110.299 108.800 -0.008 0.000 2.422 535 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.218 535 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.218 535 G C 0.513 175.406 174.900 -0.012 0.000 1.140 535 G CA 0.214 45.310 45.100 -0.006 0.000 0.775 535 G HN 0.371 nan 8.290 nan 0.000 0.545 536 V N 1.594 121.493 119.914 -0.024 0.000 2.508 536 V HA 0.173 4.293 4.120 -0.001 0.000 0.281 536 V C 1.366 177.445 176.094 -0.024 0.000 1.041 536 V CA -0.366 61.916 62.300 -0.031 0.000 1.016 536 V CB 1.360 33.150 31.823 -0.055 0.000 0.984 536 V HN 0.271 nan 8.190 nan 0.000 0.478 537 R N 1.968 122.463 120.500 -0.009 0.000 2.052 537 R HA 0.008 4.347 4.340 -0.001 0.000 0.224 537 R C 0.590 176.915 176.300 0.041 0.000 1.165 537 R CA 0.541 56.649 56.100 0.015 0.000 0.939 537 R CB -0.112 30.199 30.300 0.018 0.000 0.834 537 R HN 0.758 nan 8.270 nan 0.000 0.435 538 D N 1.091 121.519 120.400 0.047 0.000 2.382 538 D HA -0.017 4.623 4.640 -0.001 0.000 0.259 538 D C 0.827 177.123 176.300 -0.007 0.000 1.224 538 D CA 0.337 54.404 54.000 0.112 0.000 0.894 538 D CB 0.740 41.594 40.800 0.090 0.000 1.127 538 D HN 0.010 nan 8.370 nan 0.000 0.487 539 R N 1.625 122.061 120.500 -0.106 0.000 2.115 539 R HA -0.089 4.251 4.340 -0.001 0.000 0.226 539 R C 2.161 178.192 176.300 -0.448 0.000 1.100 539 R CA 1.132 56.961 56.100 -0.452 0.000 0.980 539 R CB -0.114 29.637 30.300 -0.915 0.000 0.875 539 R HN 0.507 nan 8.270 nan 0.000 0.445 540 S N 0.917 116.443 115.700 -0.290 0.000 2.469 540 S HA -0.102 4.368 4.470 -0.001 0.000 0.238 540 S C 1.603 176.135 174.600 -0.113 0.000 0.998 540 S CA 0.947 59.059 58.200 -0.147 0.000 0.957 540 S CB 0.011 63.230 63.200 0.032 0.000 0.764 540 S HN 0.247 nan 8.310 nan 0.000 0.514 541 K N 0.365 120.701 120.400 -0.105 0.000 2.361 541 K HA 0.192 4.511 4.320 -0.001 0.000 0.196 541 K C 0.728 177.247 176.600 -0.136 0.000 1.039 541 K CA -0.018 56.211 56.287 -0.097 0.000 1.001 541 K CB 0.170 32.632 32.500 -0.064 0.000 0.795 541 K HN 0.377 nan 8.250 nan 0.000 0.495 542 R N 0.996 121.389 120.500 -0.179 0.000 2.679 542 R HA 0.086 4.426 4.340 -0.001 0.000 0.269 542 R C 1.172 177.344 176.300 -0.214 0.000 1.076 542 R CA -0.228 55.755 56.100 -0.196 0.000 1.160 542 R CB 0.487 30.651 30.300 -0.226 0.000 1.054 542 R HN -0.139 nan 8.270 nan 0.000 0.507 543 K N 1.808 122.062 120.400 -0.243 0.000 2.103 543 K HA -0.067 4.252 4.320 -0.001 0.000 0.204 543 K C 0.285 176.791 176.600 -0.158 0.000 1.052 543 K CA 1.359 57.470 56.287 -0.294 0.000 0.945 543 K CB 0.155 32.293 32.500 -0.603 0.000 0.722 543 K HN 0.453 nan 8.250 nan 0.000 0.443 544 R N 0.752 121.176 120.500 -0.126 0.000 2.363 544 R HA 0.205 4.545 4.340 -0.001 0.000 0.297 544 R C -2.272 173.911 176.300 -0.195 0.000 1.208 544 R CA -1.554 54.491 56.100 -0.090 0.000 1.121 544 R CB 1.088 31.377 30.300 -0.018 0.000 1.124 544 R HN -0.135 nan 8.270 nan 0.000 0.561 545 P HA -0.122 nan 4.420 nan 0.000 0.214 545 P C -0.260 176.455 177.300 -0.974 0.000 1.162 545 P CA 1.248 63.908 63.100 -0.733 0.000 0.879 545 P CB 0.244 31.494 31.700 -0.750 0.000 0.786 546 F N -3.254 116.649 119.950 -0.080 0.000 2.584 546 F HA 0.362 4.888 4.527 -0.001 0.000 0.328 546 F C -1.863 173.928 175.800 -0.014 0.000 1.407 546 F CA -2.004 55.958 58.000 -0.062 0.000 1.145 546 F CB 0.860 39.813 39.000 -0.079 0.000 1.440 546 F HN -0.086 nan 8.300 nan 0.000 0.580 547 P HA -0.186 nan 4.420 nan 0.000 0.216 547 P C 2.006 179.379 177.300 0.122 0.000 1.150 547 P CA 1.807 64.987 63.100 0.134 0.000 0.843 547 P CB 0.222 32.022 31.700 0.167 0.000 0.787 548 G N -0.029 108.805 108.800 0.057 0.000 2.469 548 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.220 548 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.220 548 G C 1.446 176.382 174.900 0.061 0.000 1.136 548 G CA 0.494 45.581 45.100 -0.023 0.000 0.759 548 G HN 0.251 nan 8.290 nan 0.000 0.562 549 L N 0.615 121.896 121.223 0.097 0.000 2.349 549 L HA -0.118 4.222 4.340 -0.001 0.000 0.220 549 L C 3.222 180.160 176.870 0.113 0.000 1.130 549 L CA 0.718 55.612 54.840 0.090 0.000 0.791 549 L CB -0.333 41.774 42.059 0.081 0.000 0.918 549 L HN 0.347 nan 8.230 nan 0.000 0.444 550 A N -0.849 122.062 122.820 0.150 0.000 2.066 550 A HA -0.222 4.098 4.320 -0.001 0.000 0.218 550 A C 2.133 179.833 177.584 0.192 0.000 1.157 550 A CA 0.579 52.715 52.037 0.165 0.000 0.670 550 A CB -0.671 18.446 19.000 0.195 0.000 0.804 550 A HN 0.670 nan 8.150 nan 0.000 0.453 551 W N 0.674 121.972 121.300 -0.003 0.000 2.388 551 W HA -0.129 4.530 4.660 -0.001 0.000 0.294 551 W C 2.160 178.683 176.519 0.006 0.000 1.212 551 W CA 1.359 58.694 57.345 -0.016 0.000 1.271 551 W CB -0.091 29.305 29.460 -0.106 0.000 1.126 551 W HN 0.435 nan 8.180 nan 0.000 0.535 552 A N 0.485 123.370 122.820 0.107 0.000 1.933 552 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 552 A C 1.913 179.462 177.584 -0.058 0.000 1.175 552 A CA 2.284 54.328 52.037 0.012 0.000 0.628 552 A CB -1.074 17.943 19.000 0.029 0.000 0.814 552 A HN 0.312 nan 8.150 nan 0.000 0.444 553 S N -1.551 114.123 115.700 -0.043 0.000 2.556 553 S HA 0.157 4.627 4.470 -0.001 0.000 0.216 553 S C 1.613 176.159 174.600 -0.091 0.000 0.970 553 S CA 0.617 58.775 58.200 -0.069 0.000 0.912 553 S CB -0.399 62.772 63.200 -0.049 0.000 0.790 553 S HN 0.542 nan 8.310 nan 0.000 0.504 554 M N 2.148 121.687 119.600 -0.101 0.000 2.065 554 M HA -0.173 4.307 4.480 -0.001 0.000 0.259 554 M C 2.200 178.487 176.300 -0.022 0.000 1.071 554 M CA 2.298 57.580 55.300 -0.029 0.000 1.109 554 M CB -0.288 32.184 32.600 -0.213 0.000 1.313 554 M HN 0.329 nan 8.290 nan 0.000 0.408 555 K N 0.272 120.611 120.400 -0.102 0.000 2.032 555 K HA -0.226 4.094 4.320 -0.001 0.000 0.209 555 K C 1.555 178.022 176.600 -0.221 0.000 1.048 555 K CA 2.180 58.361 56.287 -0.176 0.000 0.927 555 K CB -0.584 31.840 32.500 -0.127 0.000 0.712 555 K HN 0.435 nan 8.250 nan 0.000 0.441 556 D N -0.748 119.552 120.400 -0.167 0.000 2.390 556 D HA -0.047 4.593 4.640 -0.001 0.000 0.235 556 D C 0.336 176.527 176.300 -0.182 0.000 1.040 556 D CA 0.771 54.676 54.000 -0.157 0.000 0.923 556 D CB 0.412 41.135 40.800 -0.129 0.000 0.886 556 D HN 0.355 nan 8.370 nan 0.000 0.532 557 T N -2.081 112.330 114.554 -0.239 0.000 3.340 557 T HA 0.073 4.422 4.350 -0.001 0.000 0.272 557 T C 1.165 175.638 174.700 -0.377 0.000 0.965 557 T CA -0.152 61.737 62.100 -0.352 0.000 1.040 557 T CB 0.167 68.705 68.868 -0.551 0.000 1.183 557 T HN 0.080 nan 8.240 nan 0.000 0.478 558 Y N 0.685 120.929 120.300 -0.093 0.000 2.481 558 Y HA 0.334 4.883 4.550 -0.001 0.000 0.258 558 Y C 2.488 178.177 175.900 -0.352 0.000 1.103 558 Y CA -0.070 57.999 58.100 -0.051 0.000 1.287 558 Y CB 0.207 38.781 38.460 0.190 0.000 1.108 558 Y HN 0.305 nan 8.280 nan 0.000 0.529 559 G N 0.551 108.923 108.800 -0.713 0.000 2.516 559 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.221 559 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.221 559 G C 1.719 176.379 174.900 -0.399 0.000 1.107 559 G CA 0.979 45.420 45.100 -1.098 0.000 0.747 559 G HN 0.432 nan 8.290 nan 0.000 0.567 560 A N -0.651 122.054 122.820 -0.192 0.000 2.168 560 A HA 0.187 4.506 4.320 -0.001 0.000 0.215 560 A C 1.228 178.815 177.584 0.005 0.000 1.152 560 A CA 0.404 52.402 52.037 -0.066 0.000 0.716 560 A CB -0.465 18.516 19.000 -0.032 0.000 0.794 560 A HN 0.361 nan 8.150 nan 0.000 0.465 561 C N 0.303 119.632 119.300 0.048 0.000 2.593 561 C HA 0.313 4.773 4.460 -0.001 0.000 0.409 561 C C -0.625 174.424 174.990 0.099 0.000 1.304 561 C CA -0.866 58.213 59.018 0.101 0.000 2.007 561 C CB 0.440 28.276 27.740 0.160 0.000 2.614 561 C HN 0.390 nan 8.230 nan 0.000 0.585 562 P HA -0.170 nan 4.420 nan 0.000 0.218 562 P C 1.050 178.389 177.300 0.066 0.000 1.154 562 P CA 1.659 64.801 63.100 0.069 0.000 0.872 562 P CB -0.054 31.681 31.700 0.058 0.000 0.790 563 I N -5.981 114.594 120.570 0.009 0.000 3.941 563 I HA 0.164 4.334 4.170 -0.001 0.000 0.335 563 I C 1.990 178.072 176.117 -0.059 0.000 1.402 563 I CA -0.314 60.919 61.300 -0.112 0.000 1.112 563 I CB -0.622 37.059 38.000 -0.532 0.000 1.043 563 I HN -0.169 nan 8.210 nan 0.000 0.395 564 Y N 1.820 122.087 120.300 -0.054 0.000 2.102 564 Y HA -0.352 4.198 4.550 -0.001 0.000 0.280 564 Y C 2.675 178.572 175.900 -0.004 0.000 1.178 564 Y CA 2.293 60.383 58.100 -0.017 0.000 1.146 564 Y CB -0.406 38.071 38.460 0.029 0.000 0.968 564 Y HN 0.342 nan 8.280 nan 0.000 0.504 565 S N -0.115 115.613 115.700 0.048 0.000 2.348 565 S HA -0.216 4.254 4.470 -0.001 0.000 0.221 565 S C 1.544 176.102 174.600 -0.071 0.000 1.033 565 S CA 1.839 60.012 58.200 -0.045 0.000 1.010 565 S CB -0.635 62.631 63.200 0.110 0.000 0.891 565 S HN 0.706 nan 8.310 nan 0.000 0.442 566 D N 0.533 120.934 120.400 0.001 0.000 2.116 566 D HA -0.121 4.518 4.640 -0.001 0.000 0.193 566 D C 1.951 178.262 176.300 0.018 0.000 0.998 566 D CA 1.537 55.578 54.000 0.068 0.000 0.836 566 D CB -0.385 40.536 40.800 0.201 0.000 0.951 566 D HN 0.266 nan 8.370 nan 0.000 0.449 567 V N 0.412 120.261 119.914 -0.108 0.000 2.407 567 V HA -0.195 3.924 4.120 -0.001 0.000 0.248 567 V C 2.320 178.388 176.094 -0.044 0.000 1.055 567 V CA 1.157 63.401 62.300 -0.093 0.000 1.049 567 V CB -0.432 31.305 31.823 -0.144 0.000 0.662 567 V HN 0.264 nan 8.190 nan 0.000 0.455 568 L N -0.500 120.644 121.223 -0.133 0.000 2.275 568 L HA -0.136 4.203 4.340 -0.001 0.000 0.215 568 L C 2.492 179.390 176.870 0.046 0.000 1.119 568 L CA 1.392 56.194 54.840 -0.063 0.000 0.790 568 L CB -0.213 41.701 42.059 -0.242 0.000 0.919 568 L HN 0.416 nan 8.230 nan 0.000 0.443 569 E N -0.401 119.812 120.200 0.023 0.000 2.102 569 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 569 E C 2.258 178.880 176.600 0.036 0.000 0.971 569 E CA 0.747 57.172 56.400 0.040 0.000 0.821 569 E CB 0.095 29.815 29.700 0.033 0.000 0.777 569 E HN 0.417 nan 8.360 nan 0.000 0.460 570 A N 1.490 124.339 122.820 0.048 0.000 1.873 570 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 570 A C 2.136 179.740 177.584 0.034 0.000 1.193 570 A CA 1.480 53.517 52.037 -0.001 0.000 0.629 570 A CB -0.849 18.239 19.000 0.148 0.000 0.826 570 A HN 0.296 nan 8.150 nan 0.000 0.447 571 I N -0.743 119.888 120.570 0.102 0.000 2.087 571 I HA -0.340 3.830 4.170 -0.001 0.000 0.240 571 I C 2.630 178.927 176.117 0.300 0.000 1.054 571 I CA 2.163 63.585 61.300 0.204 0.000 1.311 571 I CB -0.361 37.765 38.000 0.211 0.000 1.024 571 I HN 0.533 nan 8.210 nan 0.000 0.402 572 E N 1.045 121.394 120.200 0.248 0.000 2.058 572 E HA -0.290 4.059 4.350 -0.001 0.000 0.194 572 E C 2.226 179.003 176.600 0.294 0.000 0.997 572 E CA 1.691 58.268 56.400 0.295 0.000 0.801 572 E CB -0.196 29.629 29.700 0.209 0.000 0.746 572 E HN 0.225 nan 8.360 nan 0.000 0.450 573 R N -0.379 120.205 120.500 0.139 0.000 2.103 573 R HA -0.188 4.151 4.340 -0.001 0.000 0.234 573 R C 2.379 178.809 176.300 0.217 0.000 1.132 573 R CA 2.247 58.385 56.100 0.063 0.000 0.925 573 R CB -0.930 29.315 30.300 -0.090 0.000 0.842 573 R HN 0.387 nan 8.270 nan 0.000 0.430 574 C N -0.308 119.115 119.300 0.205 0.000 2.411 574 C HA -0.113 4.347 4.460 -0.001 0.000 0.279 574 C C 2.226 177.574 174.990 0.596 0.000 1.288 574 C CA 0.072 59.263 59.018 0.288 0.000 1.764 574 C CB -1.414 26.387 27.740 0.102 0.000 1.974 574 C HN 0.695 nan 8.230 nan 0.000 0.498 575 W N -0.871 120.737 121.300 0.513 0.000 2.961 575 W HA -0.025 4.635 4.660 -0.001 0.000 0.240 575 W C 1.648 178.409 176.519 0.404 0.000 1.305 575 W CA 0.386 57.927 57.345 0.326 0.000 1.465 575 W CB -0.355 29.104 29.460 -0.003 0.000 1.135 575 W HN 0.524 nan 8.180 nan 0.000 0.688 576 W N 0.725 122.207 121.300 0.303 0.000 2.644 576 W HA -0.017 4.642 4.660 -0.001 0.000 0.279 576 W C 2.056 178.629 176.519 0.091 0.000 1.164 576 W CA 0.887 58.346 57.345 0.189 0.000 1.457 576 W CB -0.764 28.787 29.460 0.152 0.000 1.087 576 W HN -0.297 nan 8.180 nan 0.000 0.573 577 N N 0.272 119.171 118.700 0.331 0.000 2.513 577 N HA -0.124 4.615 4.740 -0.001 0.000 0.187 577 N C 1.252 176.768 175.510 0.010 0.000 1.056 577 N CA 1.580 54.722 53.050 0.154 0.000 0.907 577 N CB -0.533 38.031 38.487 0.129 0.000 0.954 577 N HN 0.221 nan 8.380 nan 0.000 0.445 578 A N -1.502 121.297 122.820 -0.035 0.000 2.127 578 A HA 0.350 4.669 4.320 -0.001 0.000 0.204 578 A C 1.148 178.361 177.584 -0.619 0.000 1.243 578 A CA -0.086 51.768 52.037 -0.305 0.000 0.887 578 A CB 0.267 19.094 19.000 -0.289 0.000 0.933 578 A HN 0.147 nan 8.150 nan 0.000 0.479 579 F N -1.588 118.156 119.950 -0.344 0.000 2.831 579 F HA 0.364 4.890 4.527 -0.001 0.000 0.334 579 F C 1.932 177.540 175.800 -0.319 0.000 1.071 579 F CA 0.551 58.309 58.000 -0.404 0.000 1.172 579 F CB 0.960 39.545 39.000 -0.692 0.000 1.054 579 F HN 0.340 nan 8.300 nan 0.000 0.572 580 G N 0.523 109.184 108.800 -0.231 0.000 2.480 580 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.246 580 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.246 580 G C 0.719 175.245 174.900 -0.622 0.000 1.073 580 G CA 0.843 45.645 45.100 -0.496 0.000 0.643 580 G HN 0.383 nan 8.290 nan 0.000 0.525 581 E N 0.155 120.231 120.200 -0.206 0.000 4.068 581 E HA 0.475 4.825 4.350 -0.001 0.000 0.355 581 E C 0.488 177.190 176.600 0.169 0.000 1.511 581 E CA 0.390 56.776 56.400 -0.024 0.000 1.957 581 E CB 0.269 30.041 29.700 0.121 0.000 1.345 581 E HN 0.441 nan 8.360 nan 0.000 0.796 582 S N -0.936 114.951 115.700 0.312 0.000 2.707 582 S HA 0.132 4.601 4.470 -0.001 0.000 0.303 582 S C 0.012 174.746 174.600 0.224 0.000 1.132 582 S CA -0.686 57.762 58.200 0.413 0.000 1.046 582 S CB 0.446 63.833 63.200 0.310 0.000 1.004 582 S HN 0.647 nan 8.310 nan 0.000 0.483 583 Y N 5.276 125.591 120.300 0.024 0.000 2.081 583 Y HA -0.226 4.323 4.550 -0.001 0.000 0.280 583 Y C 2.518 178.201 175.900 -0.362 0.000 1.163 583 Y CA 2.352 60.153 58.100 -0.498 0.000 1.135 583 Y CB -0.131 37.977 38.460 -0.586 0.000 0.970 583 Y HN 0.825 nan 8.280 nan 0.000 0.498 584 R N 0.421 120.834 120.500 -0.145 0.000 2.103 584 R HA -0.247 4.093 4.340 -0.001 0.000 0.242 584 R C 2.216 178.310 176.300 -0.343 0.000 1.142 584 R CA 1.605 57.584 56.100 -0.201 0.000 0.960 584 R CB -0.608 29.753 30.300 0.102 0.000 0.858 584 R HN 0.455 nan 8.270 nan 0.000 0.439 585 A N -0.035 122.674 122.820 -0.186 0.000 1.855 585 A HA -0.197 4.123 4.320 -0.001 0.000 0.215 585 A C 2.047 179.448 177.584 -0.305 0.000 1.191 585 A CA 1.265 53.201 52.037 -0.169 0.000 0.613 585 A CB -1.092 17.890 19.000 -0.030 0.000 0.829 585 A HN 0.603 nan 8.150 nan 0.000 0.442 586 Y N 0.645 120.679 120.300 -0.444 0.000 2.181 586 Y HA -0.272 4.278 4.550 -0.001 0.000 0.284 586 Y C 2.414 177.852 175.900 -0.770 0.000 1.179 586 Y CA 2.276 60.060 58.100 -0.526 0.000 1.179 586 Y CB -0.114 38.027 38.460 -0.532 0.000 0.973 586 Y HN 0.152 nan 8.280 nan 0.000 0.519 587 R N 0.448 120.209 120.500 -1.232 0.000 2.093 587 R HA -0.050 4.290 4.340 -0.001 0.000 0.224 587 R C 2.158 177.747 176.300 -1.185 0.000 1.101 587 R CA 1.494 56.638 56.100 -1.594 0.000 0.979 587 R CB -0.592 28.070 30.300 -2.730 0.000 0.877 587 R HN 0.542 nan 8.270 nan 0.000 0.441 588 E N 0.170 119.826 120.200 -0.906 0.000 2.208 588 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 588 E C 1.141 177.535 176.600 -0.342 0.000 0.988 588 E CA 0.925 57.044 56.400 -0.468 0.000 0.828 588 E CB 0.011 29.564 29.700 -0.245 0.000 0.763 588 E HN 0.215 nan 8.360 nan 0.000 0.478 589 D N 0.250 120.410 120.400 -0.401 0.000 2.123 589 D HA -0.092 4.548 4.640 -0.001 0.000 0.200 589 D C 1.806 177.911 176.300 -0.324 0.000 0.976 589 D CA 0.775 54.595 54.000 -0.299 0.000 0.831 589 D CB 0.096 40.731 40.800 -0.276 0.000 0.974 589 D HN 0.033 nan 8.370 nan 0.000 0.469 590 M N -0.146 119.157 119.600 -0.495 0.000 2.117 590 M HA -0.111 4.369 4.480 -0.001 0.000 0.262 590 M C 2.017 178.165 176.300 -0.253 0.000 1.065 590 M CA 1.082 56.128 55.300 -0.423 0.000 1.114 590 M CB -0.008 32.216 32.600 -0.627 0.000 1.361 590 M HN 0.112 nan 8.290 nan 0.000 0.408 591 L N 0.097 121.167 121.223 -0.255 0.000 1.970 591 L HA -0.301 4.039 4.340 -0.001 0.000 0.212 591 L C 2.453 179.277 176.870 -0.077 0.000 1.071 591 L CA 1.789 56.563 54.840 -0.111 0.000 0.751 591 L CB -0.445 41.588 42.059 -0.043 0.000 0.889 591 L HN 0.321 nan 8.230 nan 0.000 0.432 592 K N -0.426 119.919 120.400 -0.092 0.000 2.044 592 K HA -0.276 4.044 4.320 -0.001 0.000 0.210 592 K C 2.215 178.784 176.600 -0.053 0.000 1.049 592 K CA 1.771 58.021 56.287 -0.063 0.000 0.927 592 K CB -0.070 32.391 32.500 -0.065 0.000 0.713 592 K HN 0.208 nan 8.250 nan 0.000 0.443 593 R N 0.542 121.002 120.500 -0.066 0.000 2.103 593 R HA -0.165 4.174 4.340 -0.001 0.000 0.234 593 R C 1.852 178.151 176.300 -0.002 0.000 1.132 593 R CA 2.286 58.364 56.100 -0.037 0.000 0.925 593 R CB -0.297 29.971 30.300 -0.054 0.000 0.842 593 R HN 0.250 nan 8.270 nan 0.000 0.430 594 D N -0.931 119.474 120.400 0.008 0.000 2.310 594 D HA -0.076 4.563 4.640 -0.001 0.000 0.212 594 D C 1.551 177.838 176.300 -0.022 0.000 0.965 594 D CA 1.015 55.060 54.000 0.075 0.000 0.879 594 D CB -0.103 40.787 40.800 0.150 0.000 0.921 594 D HN 0.227 nan 8.370 nan 0.000 0.510 595 T N 0.444 114.970 114.554 -0.046 0.000 2.821 595 T HA -0.021 4.329 4.350 -0.001 0.000 0.267 595 T C 2.040 176.697 174.700 -0.073 0.000 1.046 595 T CA 0.551 62.603 62.100 -0.080 0.000 1.139 595 T CB -0.027 68.808 68.868 -0.054 0.000 0.871 595 T HN 0.149 nan 8.240 nan 0.000 0.454 596 L N 0.569 121.772 121.223 -0.034 0.000 1.988 596 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 596 L C 2.749 179.627 176.870 0.013 0.000 1.071 596 L CA 1.299 56.131 54.840 -0.014 0.000 0.744 596 L CB -0.751 41.308 42.059 -0.001 0.000 0.893 596 L HN 0.159 nan 8.230 nan 0.000 0.433 597 E N 0.869 121.104 120.200 0.057 0.000 2.136 597 E HA -0.284 4.066 4.350 -0.001 0.000 0.202 597 E C 1.999 178.711 176.600 0.188 0.000 1.019 597 E CA 1.480 57.983 56.400 0.173 0.000 0.819 597 E CB -0.422 29.429 29.700 0.252 0.000 0.739 597 E HN 0.267 nan 8.360 nan 0.000 0.458 598 L N 0.466 121.607 121.223 -0.137 0.000 2.043 598 L HA -0.226 4.114 4.340 -0.001 0.000 0.212 598 L C 2.238 179.058 176.870 -0.083 0.000 1.075 598 L CA 2.591 57.136 54.840 -0.493 0.000 0.752 598 L CB -1.041 40.608 42.059 -0.684 0.000 0.891 598 L HN 0.286 nan 8.230 nan 0.000 0.432 599 S N -0.852 114.821 115.700 -0.044 0.000 2.419 599 S HA -0.265 4.204 4.470 -0.001 0.000 0.235 599 S C 2.143 176.754 174.600 0.018 0.000 1.019 599 S CA 1.075 59.265 58.200 -0.017 0.000 0.982 599 S CB -0.849 62.335 63.200 -0.027 0.000 0.789 599 S HN 0.613 nan 8.310 nan 0.000 0.490 600 R N -0.284 120.246 120.500 0.051 0.000 2.339 600 R HA 0.021 4.360 4.340 -0.001 0.000 0.199 600 R C 0.365 176.547 176.300 -0.197 0.000 1.018 600 R CA 0.699 56.758 56.100 -0.068 0.000 1.036 600 R CB -0.128 30.105 30.300 -0.111 0.000 0.899 600 R HN 0.595 nan 8.270 nan 0.000 0.473 601 Y N -1.404 118.902 120.300 0.010 0.000 2.481 601 Y HA 0.236 4.786 4.550 -0.001 0.000 0.247 601 Y C 0.277 176.181 175.900 0.006 0.000 1.151 601 Y CA -0.338 57.786 58.100 0.040 0.000 1.238 601 Y CB 1.073 39.615 38.460 0.136 0.000 1.179 601 Y HN -0.230 nan 8.280 nan 0.000 0.524 611 L N 1.753 122.949 121.223 -0.045 0.000 2.766 611 L HA 0.437 4.776 4.340 -0.001 0.000 0.242 611 L C 2.701 179.542 176.870 -0.049 0.000 1.136 611 L CA 0.826 55.634 54.840 -0.053 0.000 0.933 611 L CB 0.602 42.631 42.059 -0.050 0.000 1.241 611 L HN 0.554 nan 8.230 nan 0.000 0.522 612 A N 0.796 123.591 122.820 -0.041 0.000 1.969 612 A HA -0.296 4.023 4.320 -0.001 0.000 0.223 612 A C 2.260 179.818 177.584 -0.044 0.000 1.218 612 A CA 2.250 54.264 52.037 -0.039 0.000 0.667 612 A CB -0.283 18.697 19.000 -0.033 0.000 0.826 612 A HN 0.484 nan 8.150 nan 0.000 0.472 613 E N -0.051 120.121 120.200 -0.047 0.000 2.016 613 E HA -0.014 4.335 4.350 -0.001 0.000 0.190 613 E C 0.858 177.423 176.600 -0.059 0.000 0.985 613 E CA 0.237 56.608 56.400 -0.049 0.000 0.802 613 E CB -0.578 29.094 29.700 -0.046 0.000 0.762 613 E HN 0.670 nan 8.360 nan 0.000 0.448 614 L N 2.197 123.382 121.223 -0.064 0.000 2.516 614 L HA -0.030 4.310 4.340 -0.001 0.000 0.288 614 L C 1.309 178.129 176.870 -0.085 0.000 1.246 614 L CA 0.129 54.925 54.840 -0.074 0.000 0.844 614 L CB -0.336 41.678 42.059 -0.075 0.000 1.106 614 L HN 0.181 nan 8.230 nan 0.000 0.509 615 T N -1.267 113.223 114.554 -0.106 0.000 2.810 615 T HA 0.288 4.637 4.350 -0.001 0.000 0.277 615 T C -1.813 172.803 174.700 -0.140 0.000 0.973 615 T CA -1.577 60.444 62.100 -0.131 0.000 0.949 615 T CB 1.426 70.192 68.868 -0.170 0.000 1.075 615 T HN 0.387 nan 8.240 nan 0.000 0.537 616 P HA 0.136 nan 4.420 nan 0.000 0.217 616 P C 1.694 178.879 177.300 -0.190 0.000 1.151 616 P CA 0.709 63.718 63.100 -0.152 0.000 0.828 616 P CB -0.044 31.562 31.700 -0.156 0.000 0.788 617 I N -0.114 120.260 120.570 -0.326 0.000 2.163 617 I HA -0.237 3.933 4.170 -0.001 0.000 0.240 617 I C 1.783 177.721 176.117 -0.299 0.000 1.081 617 I CA 1.629 62.604 61.300 -0.543 0.000 1.353 617 I CB -0.778 36.632 38.000 -0.984 0.000 1.054 617 I HN -0.110 nan 8.210 nan 0.000 0.407 618 D N 0.939 121.201 120.400 -0.231 0.000 2.200 618 D HA -0.232 4.408 4.640 -0.001 0.000 0.192 618 D C 2.186 178.455 176.300 -0.052 0.000 1.008 618 D CA 1.448 55.377 54.000 -0.119 0.000 0.872 618 D CB -0.359 40.379 40.800 -0.103 0.000 0.923 618 D HN 0.294 nan 8.370 nan 0.000 0.447 619 L N 0.454 121.646 121.223 -0.052 0.000 1.988 619 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 619 L C 2.449 179.352 176.870 0.056 0.000 1.071 619 L CA 0.995 55.835 54.840 -0.001 0.000 0.744 619 L CB -0.489 41.564 42.059 -0.010 0.000 0.893 619 L HN -0.028 nan 8.230 nan 0.000 0.433 620 E N 0.150 120.392 120.200 0.069 0.000 2.114 620 E HA -0.221 4.129 4.350 -0.001 0.000 0.199 620 E C 2.310 179.028 176.600 0.196 0.000 1.008 620 E CA 1.343 57.843 56.400 0.167 0.000 0.810 620 E CB -0.420 29.454 29.700 0.289 0.000 0.739 620 E HN 0.300 nan 8.360 nan 0.000 0.456 621 V N 1.418 121.441 119.914 0.182 0.000 2.261 621 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 621 V C 2.575 178.734 176.094 0.109 0.000 1.047 621 V CA 1.447 63.843 62.300 0.159 0.000 1.015 621 V CB -0.476 31.419 31.823 0.120 0.000 0.642 621 V HN 0.222 nan 8.190 nan 0.000 0.446 622 L N -0.054 121.233 121.223 0.106 0.000 2.187 622 L HA -0.168 4.172 4.340 -0.001 0.000 0.213 622 L C 2.445 179.416 176.870 0.169 0.000 1.100 622 L CA 1.430 56.364 54.840 0.157 0.000 0.765 622 L CB -0.557 41.603 42.059 0.168 0.000 0.904 622 L HN 0.392 nan 8.230 nan 0.000 0.437 623 A N -1.289 121.614 122.820 0.139 0.000 2.123 623 A HA -0.060 4.260 4.320 -0.001 0.000 0.214 623 A C 0.280 177.918 177.584 0.090 0.000 1.152 623 A CA 0.888 53.001 52.037 0.126 0.000 0.728 623 A CB -0.024 19.061 19.000 0.141 0.000 0.814 623 A HN 0.426 nan 8.150 nan 0.000 0.464 624 D N -2.411 118.038 120.400 0.083 0.000 2.266 624 D HA 0.211 4.850 4.640 -0.001 0.000 0.218 624 D C -2.923 173.401 176.300 0.040 0.000 1.311 624 D CA -0.789 53.248 54.000 0.063 0.000 0.918 624 D CB 0.909 41.766 40.800 0.095 0.000 1.530 624 D HN -0.118 nan 8.370 nan 0.000 0.514 625 P HA 0.133 nan 4.420 nan 0.000 0.245 625 P C 0.812 178.081 177.300 -0.052 0.000 1.212 625 P CA 0.228 63.323 63.100 -0.009 0.000 0.774 625 P CB 0.089 31.775 31.700 -0.023 0.000 0.999 626 N N 0.213 118.884 118.700 -0.048 0.000 2.573 626 N HA -0.073 4.667 4.740 -0.001 0.000 0.187 626 N C 1.110 176.384 175.510 -0.392 0.000 1.107 626 N CA 0.520 53.522 53.050 -0.081 0.000 0.918 626 N CB 0.049 38.588 38.487 0.086 0.000 0.966 626 N HN 0.247 nan 8.380 nan 0.000 0.448 627 K N 0.406 120.553 120.400 -0.422 0.000 2.487 627 K HA 0.042 4.362 4.320 -0.001 0.000 0.192 627 K C 1.124 177.422 176.600 -0.503 0.000 1.027 627 K CA 0.222 56.037 56.287 -0.787 0.000 1.054 627 K CB 0.274 32.481 32.500 -0.488 0.000 0.824 627 K HN 0.187 nan 8.250 nan 0.000 0.510 628 L N 0.771 121.848 121.223 -0.242 0.000 2.591 628 L HA -0.019 4.321 4.340 -0.001 0.000 0.228 628 L C 1.608 178.392 176.870 -0.144 0.000 1.133 628 L CA 0.522 55.299 54.840 -0.105 0.000 0.880 628 L CB 0.157 42.217 42.059 0.002 0.000 1.033 628 L HN 0.055 nan 8.230 nan 0.000 0.450 629 Q N -0.968 118.673 119.800 -0.265 0.000 2.219 629 Q HA 0.107 4.447 4.340 -0.001 0.000 0.209 629 Q C 0.205 176.171 176.000 -0.058 0.000 0.854 629 Q CA 0.241 55.973 55.803 -0.120 0.000 0.960 629 Q CB 1.019 29.734 28.738 -0.038 0.000 1.116 629 Q HN 0.712 nan 8.270 nan 0.000 0.500 630 Y N -3.932 116.306 120.300 -0.104 0.000 2.592 630 Y HA 0.333 4.883 4.550 -0.001 0.000 0.309 630 Y C 1.429 177.183 175.900 -0.243 0.000 0.928 630 Y CA -0.231 57.784 58.100 -0.143 0.000 0.941 630 Y CB -0.097 38.279 38.460 -0.139 0.000 1.422 630 Y HN -0.152 nan 8.280 nan 0.000 0.579 631 K N 0.005 120.115 120.400 -0.484 0.000 2.159 631 K HA 0.224 4.544 4.320 -0.001 0.000 0.210 631 K C 0.175 176.414 176.600 -0.601 0.000 1.026 631 K CA 0.881 56.786 56.287 -0.637 0.000 0.959 631 K CB 0.340 32.102 32.500 -1.230 0.000 0.890 631 K HN 0.179 nan 8.250 nan 0.000 0.459 632 W N -0.352 120.804 121.300 -0.240 0.000 3.330 632 W HA 0.448 5.108 4.660 -0.001 0.000 0.364 632 W C 0.039 176.420 176.519 -0.230 0.000 1.369 632 W CA -0.670 56.525 57.345 -0.250 0.000 1.094 632 W CB 0.287 29.624 29.460 -0.204 0.000 1.857 632 W HN -0.012 nan 8.180 nan 0.000 0.646 633 T N -0.865 113.728 114.554 0.066 0.000 2.841 633 T HA 0.130 4.480 4.350 -0.001 0.000 0.296 633 T C 0.690 175.394 174.700 0.006 0.000 1.166 633 T CA -0.393 61.699 62.100 -0.014 0.000 1.007 633 T CB 1.737 70.512 68.868 -0.154 0.000 1.253 633 T HN 0.490 nan 8.240 nan 0.000 0.511 634 E N 0.948 121.155 120.200 0.011 0.000 2.114 634 E HA -0.186 4.164 4.350 -0.001 0.000 0.199 634 E C 1.964 178.478 176.600 -0.143 0.000 1.008 634 E CA 1.884 58.226 56.400 -0.096 0.000 0.810 634 E CB -0.395 29.194 29.700 -0.186 0.000 0.739 634 E HN 0.668 nan 8.360 nan 0.000 0.456 635 A N 0.946 123.719 122.820 -0.078 0.000 1.972 635 A HA -0.191 4.128 4.320 -0.001 0.000 0.219 635 A C 1.643 179.182 177.584 -0.076 0.000 1.169 635 A CA 1.756 53.756 52.037 -0.061 0.000 0.635 635 A CB -0.340 18.669 19.000 0.016 0.000 0.810 635 A HN 0.304 nan 8.150 nan 0.000 0.446 636 D N -0.744 119.600 120.400 -0.092 0.000 2.347 636 D HA 0.084 4.724 4.640 -0.001 0.000 0.215 636 D C 0.441 176.612 176.300 -0.216 0.000 0.976 636 D CA 0.536 54.431 54.000 -0.175 0.000 0.884 636 D CB 0.027 40.676 40.800 -0.251 0.000 0.915 636 D HN 0.245 nan 8.370 nan 0.000 0.526 637 V N 0.422 120.254 119.914 -0.137 0.000 2.732 637 V HA 0.249 4.368 4.120 -0.001 0.000 0.310 637 V C 0.507 176.552 176.094 -0.081 0.000 1.053 637 V CA -1.006 61.230 62.300 -0.106 0.000 0.957 637 V CB 2.040 33.859 31.823 -0.006 0.000 1.018 637 V HN -0.155 nan 8.190 nan 0.000 0.452 638 S N 2.307 117.967 115.700 -0.066 0.000 2.525 638 S HA 0.199 4.668 4.470 -0.001 0.000 0.285 638 S C 1.448 176.044 174.600 -0.007 0.000 1.283 638 S CA 0.160 58.332 58.200 -0.047 0.000 1.072 638 S CB 1.101 64.273 63.200 -0.047 0.000 0.867 638 S HN 1.044 nan 8.310 nan 0.000 0.492 639 A N 3.774 126.580 122.820 -0.024 0.000 2.084 639 A HA -0.212 4.108 4.320 -0.001 0.000 0.221 639 A C 1.861 179.479 177.584 0.056 0.000 1.161 639 A CA 1.977 54.013 52.037 -0.001 0.000 0.653 639 A CB -0.640 18.342 19.000 -0.031 0.000 0.802 639 A HN 0.915 nan 8.150 nan 0.000 0.457 640 N N -1.199 117.523 118.700 0.035 0.000 2.405 640 N HA 0.014 4.753 4.740 -0.001 0.000 0.175 640 N C 1.085 176.626 175.510 0.051 0.000 1.051 640 N CA 0.684 53.758 53.050 0.040 0.000 0.899 640 N CB -0.165 38.331 38.487 0.014 0.000 1.000 640 N HN 0.258 nan 8.380 nan 0.000 0.451 641 I N 0.881 121.481 120.570 0.049 0.000 2.617 641 I HA -0.100 4.069 4.170 -0.001 0.000 0.256 641 I C 2.168 178.338 176.117 0.090 0.000 1.167 641 I CA 0.842 62.172 61.300 0.049 0.000 1.469 641 I CB -1.295 36.716 38.000 0.019 0.000 1.098 641 I HN 0.405 nan 8.210 nan 0.000 0.436 642 H N 1.758 120.833 119.070 0.009 0.000 2.352 642 H HA -0.167 4.389 4.556 -0.001 0.000 0.299 642 H C 1.421 176.773 175.328 0.040 0.000 1.097 642 H CA 1.739 57.798 56.048 0.019 0.000 1.311 642 H CB 0.422 30.188 29.762 0.008 0.000 1.377 642 H HN 0.436 nan 8.280 nan 0.000 0.504 643 E N 0.136 120.385 120.200 0.082 0.000 2.472 643 E HA -0.064 4.285 4.350 -0.001 0.000 0.200 643 E C 2.105 178.735 176.600 0.050 0.000 1.046 643 E CA 0.464 56.898 56.400 0.057 0.000 0.871 643 E CB 0.278 30.035 29.700 0.096 0.000 0.806 643 E HN 0.274 nan 8.360 nan 0.000 0.533 644 V N 0.591 120.532 119.914 0.046 0.000 2.788 644 V HA -0.096 4.023 4.120 -0.001 0.000 0.251 644 V C 1.775 177.895 176.094 0.043 0.000 1.068 644 V CA 1.130 63.479 62.300 0.081 0.000 1.090 644 V CB -0.041 31.846 31.823 0.107 0.000 0.710 644 V HN 0.293 nan 8.190 nan 0.000 0.467 645 L N -1.369 119.837 121.223 -0.028 0.000 2.672 645 L HA 0.321 4.661 4.340 -0.001 0.000 0.236 645 L C 0.370 177.174 176.870 -0.110 0.000 1.092 645 L CA 0.251 55.055 54.840 -0.061 0.000 0.887 645 L CB 0.405 42.428 42.059 -0.060 0.000 1.168 645 L HN 0.241 nan 8.230 nan 0.000 0.502 646 M N -1.300 118.194 119.600 -0.176 0.000 2.658 646 M HA 0.433 4.913 4.480 -0.001 0.000 0.295 646 M C -1.055 175.246 176.300 0.002 0.000 1.248 646 M CA -0.313 54.889 55.300 -0.163 0.000 0.843 646 M CB 2.107 34.448 32.600 -0.432 0.000 1.749 646 M HN -0.091 nan 8.290 nan 0.000 0.464 647 H N -0.511 118.527 119.070 -0.054 0.000 2.865 647 H HA 0.622 5.178 4.556 -0.001 0.000 0.362 647 H C -1.150 174.192 175.328 0.022 0.000 1.114 647 H CA -0.234 55.809 56.048 -0.008 0.000 1.208 647 H CB 2.255 32.013 29.762 -0.006 0.000 1.727 647 H HN 0.848 nan 8.280 nan 0.000 0.534 648 G N 1.843 110.402 108.800 -0.400 0.000 2.531 648 G HA2 0.461 4.421 3.960 -0.001 0.000 0.313 648 G HA3 0.461 4.421 3.960 -0.001 0.000 0.313 648 G C -0.796 173.989 174.900 -0.192 0.000 1.238 648 G CA -0.467 44.515 45.100 -0.196 0.000 0.994 648 G HN 0.383 nan 8.290 nan 0.000 0.493 649 V N 0.549 120.430 119.914 -0.055 0.000 2.547 649 V HA 0.381 4.501 4.120 -0.001 0.000 0.299 649 V C 0.789 176.868 176.094 -0.025 0.000 1.040 649 V CA -0.546 61.745 62.300 -0.015 0.000 0.913 649 V CB 1.491 33.328 31.823 0.022 0.000 0.992 649 V HN 1.116 nan 8.190 nan 0.000 0.449 650 S N 3.632 119.325 115.700 -0.011 0.000 2.631 650 S HA -0.033 4.437 4.470 -0.001 0.000 0.311 650 S C 1.049 175.652 174.600 0.005 0.000 1.254 650 S CA -0.043 58.154 58.200 -0.003 0.000 1.039 650 S CB 0.471 63.679 63.200 0.013 0.000 0.753 650 S HN 0.527 nan 8.310 nan 0.000 0.494 651 V N 2.426 122.343 119.914 0.005 0.000 2.548 651 V HA -0.069 4.051 4.120 -0.001 0.000 0.249 651 V C 2.536 178.645 176.094 0.025 0.000 1.055 651 V CA 1.866 64.175 62.300 0.014 0.000 1.065 651 V CB -1.299 30.528 31.823 0.008 0.000 0.681 651 V HN 0.852 nan 8.190 nan 0.000 0.462 652 E N 0.784 120.998 120.200 0.022 0.000 2.070 652 E HA -0.229 4.120 4.350 -0.001 0.000 0.197 652 E C 2.235 178.861 176.600 0.044 0.000 1.004 652 E CA 1.554 57.971 56.400 0.028 0.000 0.805 652 E CB -0.280 29.434 29.700 0.023 0.000 0.744 652 E HN 0.560 nan 8.360 nan 0.000 0.451 653 K N -0.536 119.890 120.400 0.044 0.000 2.062 653 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 653 K C 2.328 178.984 176.600 0.095 0.000 1.051 653 K CA 1.647 57.969 56.287 0.058 0.000 0.941 653 K CB -0.211 32.311 32.500 0.036 0.000 0.719 653 K HN 0.305 nan 8.250 nan 0.000 0.440 654 T N -0.961 113.641 114.554 0.080 0.000 2.867 654 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 654 T C 1.878 176.682 174.700 0.174 0.000 1.057 654 T CA 1.177 63.356 62.100 0.130 0.000 1.136 654 T CB -0.081 68.836 68.868 0.082 0.000 0.874 654 T HN 0.273 nan 8.240 nan 0.000 0.466 655 E N 1.333 121.593 120.200 0.101 0.000 2.051 655 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 655 E C 2.524 179.166 176.600 0.070 0.000 0.991 655 E CA 0.892 57.333 56.400 0.067 0.000 0.799 655 E CB -0.162 29.559 29.700 0.036 0.000 0.748 655 E HN 0.566 nan 8.360 nan 0.000 0.449 656 R N -0.343 120.209 120.500 0.087 0.000 2.083 656 R HA -0.202 4.138 4.340 -0.001 0.000 0.237 656 R C 2.288 178.658 176.300 0.117 0.000 1.137 656 R CA 1.732 57.881 56.100 0.082 0.000 0.951 656 R CB -0.576 29.774 30.300 0.083 0.000 0.851 656 R HN 0.282 nan 8.270 nan 0.000 0.434 657 F N 1.103 121.076 119.950 0.039 0.000 2.046 657 F HA -0.236 4.290 4.527 -0.001 0.000 0.297 657 F C 1.920 177.750 175.800 0.050 0.000 1.123 657 F CA 1.611 59.658 58.000 0.077 0.000 1.199 657 F CB -0.698 38.356 39.000 0.090 0.000 0.972 657 F HN 0.110 nan 8.300 nan 0.000 0.474 658 L N 1.230 122.460 121.223 0.012 0.000 2.127 658 L HA -0.175 4.164 4.340 -0.001 0.000 0.211 658 L C 2.575 179.289 176.870 -0.261 0.000 1.089 658 L CA 1.936 56.660 54.840 -0.195 0.000 0.757 658 L CB -0.972 41.075 42.059 -0.020 0.000 0.899 658 L HN 0.292 nan 8.230 nan 0.000 0.434 659 R N -1.040 119.375 120.500 -0.142 0.000 2.193 659 R HA -0.112 4.228 4.340 -0.001 0.000 0.229 659 R C 2.108 178.315 176.300 -0.155 0.000 1.110 659 R CA 1.343 57.366 56.100 -0.129 0.000 0.988 659 R CB -0.143 30.122 30.300 -0.058 0.000 0.871 659 R HN 0.600 nan 8.270 nan 0.000 0.458 660 S N -1.593 114.004 115.700 -0.171 0.000 2.503 660 S HA 0.061 4.531 4.470 -0.001 0.000 0.217 660 S C 1.648 176.136 174.600 -0.186 0.000 0.999 660 S CA 0.199 58.354 58.200 -0.074 0.000 0.914 660 S CB 0.574 63.822 63.200 0.080 0.000 0.782 660 S HN 0.106 nan 8.310 nan 0.000 0.520 661 V N 1.645 121.274 119.914 -0.476 0.000 2.374 661 V HA 0.199 4.318 4.120 -0.001 0.000 0.241 661 V C 1.586 177.189 176.094 -0.819 0.000 1.034 661 V CA 1.091 62.930 62.300 -0.768 0.000 1.037 661 V CB -0.474 30.703 31.823 -1.076 0.000 0.682 661 V HN 0.431 nan 8.190 nan 0.000 0.463 662 M N 0.038 119.178 119.600 -0.767 0.000 1.878 662 M HA 0.252 4.731 4.480 -0.001 0.000 0.236 662 M C -2.008 173.976 176.300 -0.527 0.000 1.315 662 M CA -0.928 53.852 55.300 -0.866 0.000 0.986 662 M CB -0.213 32.028 32.600 -0.598 0.000 1.324 662 M HN 0.107 nan 8.290 nan 0.000 0.474 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.975 63.100 -0.208 0.000 0.800 663 P CB 0.000 31.622 31.700 -0.129 0.000 0.726