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_B 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 ASMARQAGLA 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 0.000 176.267 176.300 -0.055 0.000 0.893 3 R CA 0.000 56.060 56.100 -0.066 0.000 0.921 3 R CB 0.000 30.257 30.300 -0.072 0.000 0.687 4 A N 5.077 127.859 122.820 -0.063 0.000 2.445 4 A HA 0.452 4.772 4.320 -0.000 0.000 0.242 4 A C -2.121 175.442 177.584 -0.035 0.000 1.075 4 A CA -1.003 51.017 52.037 -0.030 0.000 0.777 4 A CB -0.131 18.859 19.000 -0.017 0.000 1.013 4 A HN 0.519 nan 8.150 nan 0.000 0.493 5 P HA 0.407 nan 4.420 nan 0.000 0.271 5 P C -0.496 176.718 177.300 -0.144 0.000 1.216 5 P CA 0.276 63.320 63.100 -0.094 0.000 0.771 5 P CB 1.049 32.815 31.700 0.111 0.000 0.864 6 A N 2.790 125.370 122.820 -0.399 0.000 2.384 6 A HA 0.879 5.199 4.320 -0.000 0.000 0.312 6 A C -1.339 175.862 177.584 -0.638 0.000 1.113 6 A CA -0.474 51.450 52.037 -0.188 0.000 0.779 6 A CB 0.924 20.023 19.000 0.166 0.000 1.307 6 A HN 0.385 nan 8.150 nan 0.000 0.436 7 F N 0.258 120.310 119.950 0.169 0.000 2.588 7 F HA 0.508 5.035 4.527 -0.000 0.000 0.314 7 F C -2.602 173.295 175.800 0.162 0.000 1.134 7 F CA -1.792 56.296 58.000 0.147 0.000 0.961 7 F CB 2.378 41.470 39.000 0.154 0.000 1.239 7 F HN 0.275 nan 8.300 nan 0.000 0.448 8 P HA 0.123 nan 4.420 nan 0.000 0.274 8 P C 0.801 178.273 177.300 0.286 0.000 1.231 8 P CA -0.455 62.779 63.100 0.224 0.000 0.790 8 P CB 0.971 32.760 31.700 0.148 0.000 0.951 9 L N 2.797 124.194 121.223 0.289 0.000 2.137 9 L HA -0.259 4.080 4.340 -0.000 0.000 0.213 9 L C 1.989 178.986 176.870 0.211 0.000 1.085 9 L CA 2.663 57.686 54.840 0.305 0.000 0.760 9 L CB -1.661 40.530 42.059 0.220 0.000 0.893 9 L HN 0.448 nan 8.230 nan 0.000 0.434 10 S N -1.878 113.922 115.700 0.167 0.000 2.419 10 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 10 S C 0.960 175.643 174.600 0.139 0.000 1.016 10 S CA 0.463 58.739 58.200 0.127 0.000 0.974 10 S CB -0.850 62.412 63.200 0.104 0.000 0.786 10 S HN 0.618 nan 8.310 nan 0.000 0.492 11 D N 0.624 121.133 120.400 0.183 0.000 2.399 11 D HA 0.196 4.836 4.640 -0.000 0.000 0.241 11 D C 1.032 177.412 176.300 0.133 0.000 1.133 11 D CA -0.210 53.899 54.000 0.181 0.000 0.890 11 D CB 0.536 41.508 40.800 0.287 0.000 1.201 11 D HN 0.061 nan 8.370 nan 0.000 0.432 12 I N 3.329 123.957 120.570 0.096 0.000 2.248 12 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 12 I C 1.810 177.938 176.117 0.018 0.000 1.107 12 I CA 1.739 63.075 61.300 0.061 0.000 1.373 12 I CB -0.028 38.001 38.000 0.049 0.000 1.055 12 I HN 0.433 nan 8.210 nan 0.000 0.418 13 K N 0.206 120.576 120.400 -0.051 0.000 2.097 13 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 13 K C 1.965 178.482 176.600 -0.138 0.000 1.049 13 K CA 1.421 57.586 56.287 -0.204 0.000 0.933 13 K CB -0.263 31.885 32.500 -0.588 0.000 0.717 13 K HN 0.514 nan 8.250 nan 0.000 0.442 14 A N 0.421 123.249 122.820 0.013 0.000 2.147 14 A HA -0.021 4.299 4.320 -0.000 0.000 0.211 14 A C 1.879 179.596 177.584 0.223 0.000 1.160 14 A CA 0.300 52.434 52.037 0.162 0.000 0.781 14 A CB 0.082 19.319 19.000 0.395 0.000 0.842 14 A HN 0.110 nan 8.150 nan 0.000 0.475 15 Q N -0.013 119.893 119.800 0.177 0.000 2.084 15 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 15 Q C 1.634 177.742 176.000 0.180 0.000 0.978 15 Q CA 1.360 57.284 55.803 0.203 0.000 0.844 15 Q CB -0.366 28.449 28.738 0.128 0.000 0.898 15 Q HN 0.752 nan 8.270 nan 0.000 0.426 16 M N 0.308 119.960 119.600 0.086 0.000 2.639 16 M HA 0.053 4.533 4.480 -0.000 0.000 0.220 16 M C 1.318 177.638 176.300 0.035 0.000 1.155 16 M CA 0.325 55.676 55.300 0.085 0.000 1.003 16 M CB -0.019 32.643 32.600 0.104 0.000 1.725 16 M HN 0.062 nan 8.290 nan 0.000 0.489 17 L N -0.718 120.415 121.223 -0.151 0.000 2.446 17 L HA 0.148 4.488 4.340 -0.000 0.000 0.219 17 L C -0.176 176.286 176.870 -0.680 0.000 1.116 17 L CA 0.401 54.925 54.840 -0.526 0.000 0.844 17 L CB 0.191 41.692 42.059 -0.929 0.000 0.970 17 L HN 0.186 nan 8.230 nan 0.000 0.457 18 F N 0.240 120.212 119.950 0.037 0.000 2.434 18 F HA 0.534 5.060 4.527 -0.000 0.000 0.355 18 F C 0.694 176.529 175.800 0.058 0.000 1.115 18 F CA -0.998 57.040 58.000 0.064 0.000 1.010 18 F CB 0.625 39.606 39.000 -0.033 0.000 1.234 18 F HN -0.198 nan 8.300 nan 0.000 0.439 19 A N 1.883 124.824 122.820 0.203 0.000 2.455 19 A HA 0.054 4.374 4.320 -0.000 0.000 0.244 19 A C 0.617 178.302 177.584 0.168 0.000 1.099 19 A CA -0.302 51.839 52.037 0.173 0.000 0.786 19 A CB 0.134 19.296 19.000 0.270 0.000 1.051 19 A HN 0.711 nan 8.150 nan 0.000 0.508 20 N N 1.111 119.891 118.700 0.134 0.000 3.050 20 N HA 0.203 4.943 4.740 -0.000 0.000 0.289 20 N C -0.828 174.727 175.510 0.076 0.000 1.209 20 N CA 0.086 53.190 53.050 0.090 0.000 1.154 20 N CB -1.009 37.518 38.487 0.066 0.000 1.444 20 N HN 0.750 nan 8.380 nan 0.000 0.529 21 N N -0.109 118.638 118.700 0.078 0.000 3.116 21 N HA 0.238 4.978 4.740 -0.000 0.000 0.244 21 N C 0.562 176.092 175.510 0.034 0.000 1.485 21 N CA -0.772 52.308 53.050 0.051 0.000 0.884 21 N CB 0.501 39.023 38.487 0.057 0.000 1.415 21 N HN -0.221 nan 8.380 nan 0.000 0.524 22 I N -0.457 120.120 120.570 0.013 0.000 2.163 22 I HA -0.122 4.048 4.170 -0.000 0.000 0.240 22 I C 1.866 177.966 176.117 -0.028 0.000 1.081 22 I CA 1.203 62.497 61.300 -0.011 0.000 1.353 22 I CB -1.305 36.688 38.000 -0.012 0.000 1.054 22 I HN 0.576 nan 8.210 nan 0.000 0.407 23 K N 1.493 121.889 120.400 -0.007 0.000 2.034 23 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 23 K C 2.247 178.792 176.600 -0.091 0.000 1.051 23 K CA 1.983 58.258 56.287 -0.020 0.000 0.931 23 K CB -0.677 31.850 32.500 0.045 0.000 0.715 23 K HN 0.411 nan 8.250 nan 0.000 0.446 24 A N 1.665 124.491 122.820 0.010 0.000 1.877 24 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 24 A C 2.227 179.727 177.584 -0.140 0.000 1.186 24 A CA 1.375 53.422 52.037 0.016 0.000 0.620 24 A CB -0.369 18.803 19.000 0.285 0.000 0.822 24 A HN 0.283 nan 8.150 nan 0.000 0.443 25 Q N -0.320 119.429 119.800 -0.086 0.000 2.084 25 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 25 Q C 2.173 178.020 176.000 -0.255 0.000 0.978 25 Q CA 1.769 57.475 55.803 -0.162 0.000 0.844 25 Q CB -0.484 28.206 28.738 -0.080 0.000 0.898 25 Q HN 0.818 nan 8.270 nan 0.000 0.426 26 Q N 0.026 119.707 119.800 -0.198 0.000 2.135 26 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 26 Q C 2.027 177.874 176.000 -0.254 0.000 0.981 26 Q CA 1.514 57.208 55.803 -0.181 0.000 0.856 26 Q CB -0.182 28.484 28.738 -0.120 0.000 0.902 26 Q HN 0.392 nan 8.270 nan 0.000 0.425 27 A N 0.795 123.372 122.820 -0.405 0.000 1.898 27 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 27 A C 2.228 179.582 177.584 -0.383 0.000 1.181 27 A CA 1.699 53.454 52.037 -0.471 0.000 0.620 27 A CB -0.737 17.502 19.000 -1.268 0.000 0.819 27 A HN 0.460 nan 8.150 nan 0.000 0.442 28 S N -0.187 114.984 115.700 -0.881 0.000 2.382 28 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 28 S C 1.796 176.001 174.600 -0.659 0.000 1.027 28 S CA 1.727 59.104 58.200 -1.371 0.000 0.991 28 S CB -0.307 61.731 63.200 -1.937 0.000 0.823 28 S HN 0.582 nan 8.310 nan 0.000 0.469 29 K N 0.279 120.371 120.400 -0.515 0.000 2.314 29 K HA 0.223 4.543 4.320 -0.000 0.000 0.198 29 K C 0.630 177.035 176.600 -0.326 0.000 1.045 29 K CA -0.095 55.912 56.287 -0.467 0.000 0.988 29 K CB 0.093 32.447 32.500 -0.244 0.000 0.783 29 K HN 0.251 nan 8.250 nan 0.000 0.484 30 R N 1.860 122.289 120.500 -0.119 0.000 2.446 30 R HA -0.002 4.338 4.340 -0.000 0.000 0.314 30 R C 0.290 176.757 176.300 0.279 0.000 1.003 30 R CA -0.017 56.125 56.100 0.070 0.000 1.018 30 R CB 0.536 30.869 30.300 0.056 0.000 0.945 30 R HN 0.098 nan 8.270 nan 0.000 0.419 31 S N 3.672 119.526 115.700 0.257 0.000 2.713 31 S HA 0.225 4.695 4.470 -0.000 0.000 0.277 31 S C 0.084 174.800 174.600 0.192 0.000 1.168 31 S CA -0.855 57.509 58.200 0.274 0.000 0.994 31 S CB 0.563 63.897 63.200 0.224 0.000 1.054 31 S HN 0.441 nan 8.310 nan 0.000 0.555 32 F N 1.673 121.649 119.950 0.044 0.000 2.642 32 F HA 0.362 4.889 4.527 -0.000 0.000 0.371 32 F C 0.292 176.128 175.800 0.059 0.000 1.120 32 F CA 0.942 58.962 58.000 0.032 0.000 1.331 32 F CB 0.360 39.366 39.000 0.011 0.000 1.044 32 F HN 0.723 nan 8.300 nan 0.000 0.594 33 K N 4.692 124.683 120.400 -0.683 0.000 2.502 33 K HA 0.428 4.748 4.320 -0.000 0.000 0.257 33 K C -1.372 174.905 176.600 -0.539 0.000 0.938 33 K CA -0.576 55.488 56.287 -0.370 0.000 0.819 33 K CB 1.604 34.000 32.500 -0.173 0.000 1.333 33 K HN 0.754 nan 8.250 nan 0.000 0.434 34 E N 0.894 120.974 120.200 -0.200 0.000 2.391 34 E HA 0.822 5.171 4.350 -0.000 0.000 0.256 34 E C -0.738 175.640 176.600 -0.370 0.000 0.975 34 E CA -1.506 54.741 56.400 -0.255 0.000 0.881 34 E CB 1.242 30.957 29.700 0.025 0.000 1.728 34 E HN 0.717 nan 8.360 nan 0.000 0.446 35 G N -0.691 107.556 108.800 -0.921 0.000 2.379 35 G HA2 0.404 4.364 3.960 -0.000 0.000 0.609 35 G HA3 0.404 4.364 3.960 -0.000 0.000 0.609 35 G C -0.764 173.546 174.900 -0.983 0.000 1.484 35 G CA -0.514 44.040 45.100 -0.909 0.000 0.921 35 G HN 0.796 nan 8.290 nan 0.000 0.658 36 A N 0.809 123.288 122.820 -0.569 0.000 2.520 36 A HA 0.581 4.901 4.320 -0.000 0.000 0.235 36 A C 1.014 178.517 177.584 -0.136 0.000 1.065 36 A CA 0.677 52.598 52.037 -0.193 0.000 0.764 36 A CB -0.064 19.010 19.000 0.124 0.000 1.002 36 A HN 2.090 nan 8.150 nan 0.000 0.502 37 I N -1.227 119.307 120.570 -0.060 0.000 2.566 37 I HA 0.453 4.623 4.170 -0.000 0.000 0.303 37 I C 0.253 176.381 176.117 0.019 0.000 0.983 37 I CA -0.583 60.700 61.300 -0.028 0.000 1.235 37 I CB 1.470 39.456 38.000 -0.023 0.000 1.386 37 I HN 0.715 nan 8.210 nan 0.000 0.494 38 E N 3.651 123.856 120.200 0.009 0.000 1.842 38 E HA 0.053 4.403 4.350 -0.000 0.000 0.278 38 E C 0.546 177.135 176.600 -0.018 0.000 1.171 38 E CA -0.067 56.344 56.400 0.018 0.000 1.127 38 E CB 0.176 29.890 29.700 0.022 0.000 1.100 38 E HN 0.842 nan 8.360 nan 0.000 0.456 39 T N 2.589 117.121 114.554 -0.036 0.000 2.620 39 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 39 T C 0.015 174.462 174.700 -0.422 0.000 1.044 39 T CA 1.656 63.648 62.100 -0.179 0.000 1.161 39 T CB -0.110 68.658 68.868 -0.167 0.000 0.862 39 T HN 0.334 nan 8.240 nan 0.000 0.438 40 Y N -0.457 119.857 120.300 0.023 0.000 2.634 40 Y HA 0.453 5.003 4.550 -0.000 0.000 0.340 40 Y C -0.017 175.914 175.900 0.053 0.000 1.058 40 Y CA -1.914 56.216 58.100 0.050 0.000 1.081 40 Y CB 1.059 39.593 38.460 0.125 0.000 1.295 40 Y HN -0.074 nan 8.280 nan 0.000 0.487 41 E N 0.647 120.992 120.200 0.242 0.000 2.606 41 E HA 0.289 4.639 4.350 -0.000 0.000 0.248 41 E C 0.715 177.401 176.600 0.143 0.000 1.005 41 E CA 1.446 57.927 56.400 0.134 0.000 0.946 41 E CB -0.244 29.505 29.700 0.081 0.000 0.928 41 E HN 0.841 nan 8.360 nan 0.000 0.494 42 G N 3.572 112.433 108.800 0.102 0.000 2.136 42 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.242 42 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.242 42 G C -0.502 174.455 174.900 0.096 0.000 0.989 42 G CA 0.261 45.416 45.100 0.090 0.000 0.682 42 G HN 0.484 nan 8.290 nan 0.000 0.522 43 L N 0.165 121.449 121.223 0.101 0.000 2.439 43 L HA 0.839 5.179 4.340 -0.000 0.000 0.270 43 L C -0.756 176.153 176.870 0.065 0.000 0.972 43 L CA -1.548 53.342 54.840 0.083 0.000 0.836 43 L CB 1.475 43.575 42.059 0.067 0.000 1.255 43 L HN -0.030 nan 8.230 nan 0.000 0.404 44 L N 3.438 124.720 121.223 0.098 0.000 2.326 44 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 44 L C 1.681 178.693 176.870 0.237 0.000 1.092 44 L CA 0.777 55.695 54.840 0.129 0.000 0.810 44 L CB 1.579 43.713 42.059 0.124 0.000 1.153 44 L HN 0.884 nan 8.230 nan 0.000 0.439 45 S N 1.960 117.821 115.700 0.268 0.000 2.407 45 S HA -0.163 4.307 4.470 -0.000 0.000 0.235 45 S C 1.164 176.048 174.600 0.472 0.000 1.036 45 S CA 1.333 59.814 58.200 0.469 0.000 1.013 45 S CB -0.654 62.739 63.200 0.321 0.000 0.820 45 S HN 0.591 nan 8.310 nan 0.000 0.476 46 V N -0.947 119.156 119.914 0.315 0.000 3.444 46 V HA 0.309 4.429 4.120 -0.000 0.000 0.308 46 V C 0.230 176.414 176.094 0.149 0.000 1.371 46 V CA -0.373 62.056 62.300 0.215 0.000 1.141 46 V CB -0.810 31.132 31.823 0.199 0.000 1.037 46 V HN 0.228 nan 8.190 nan 0.000 0.433 47 D N 2.320 122.851 120.400 0.218 0.000 2.472 47 D HA 0.117 4.757 4.640 -0.000 0.000 0.248 47 D C -1.228 175.112 176.300 0.066 0.000 1.174 47 D CA -1.603 52.484 54.000 0.144 0.000 0.883 47 D CB 1.837 42.754 40.800 0.196 0.000 1.149 47 D HN 0.127 nan 8.370 nan 0.000 0.488 48 P HA -0.202 nan 4.420 nan 0.000 0.218 48 P C 1.094 178.293 177.300 -0.168 0.000 1.152 48 P CA 1.680 64.715 63.100 -0.109 0.000 0.857 48 P CB 0.205 31.840 31.700 -0.108 0.000 0.787 49 R N -2.351 118.004 120.500 -0.242 0.000 2.057 49 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 49 R C 2.278 178.375 176.300 -0.338 0.000 1.136 49 R CA 1.064 56.851 56.100 -0.522 0.000 0.952 49 R CB -1.238 28.408 30.300 -1.089 0.000 0.848 49 R HN 0.134 nan 8.270 nan 0.000 0.430 50 F N 2.110 121.947 119.950 -0.190 0.000 2.126 50 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 50 F C 1.836 177.753 175.800 0.196 0.000 1.096 50 F CA 1.353 59.465 58.000 0.185 0.000 1.255 50 F CB -0.348 38.837 39.000 0.308 0.000 0.997 50 F HN -0.082 nan 8.300 nan 0.000 0.479 51 L N -1.135 120.079 121.223 -0.016 0.000 2.056 51 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 51 L C 2.722 179.495 176.870 -0.162 0.000 1.078 51 L CA 1.547 56.262 54.840 -0.208 0.000 0.749 51 L CB -1.121 40.715 42.059 -0.370 0.000 0.901 51 L HN 0.183 nan 8.230 nan 0.000 0.433 52 S N -0.109 115.515 115.700 -0.127 0.000 2.383 52 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 52 S C 1.983 176.579 174.600 -0.007 0.000 1.026 52 S CA 1.029 59.177 58.200 -0.086 0.000 0.981 52 S CB -0.341 62.786 63.200 -0.121 0.000 0.818 52 S HN 0.401 nan 8.310 nan 0.000 0.472 53 F N 2.223 122.102 119.950 -0.119 0.000 2.069 53 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 53 F C 2.079 177.850 175.800 -0.048 0.000 1.113 53 F CA 1.990 59.958 58.000 -0.054 0.000 1.214 53 F CB -0.566 38.460 39.000 0.042 0.000 0.978 53 F HN 0.135 nan 8.300 nan 0.000 0.474 54 K N 0.173 120.464 120.400 -0.181 0.000 2.009 54 K HA -0.290 4.030 4.320 -0.000 0.000 0.210 54 K C 1.989 178.538 176.600 -0.085 0.000 1.049 54 K CA 1.957 58.109 56.287 -0.225 0.000 0.929 54 K CB -0.692 31.807 32.500 -0.002 0.000 0.714 54 K HN 0.407 nan 8.250 nan 0.000 0.440 55 N N 0.847 119.612 118.700 0.109 0.000 2.091 55 N HA -0.260 4.480 4.740 -0.000 0.000 0.193 55 N C 1.852 177.409 175.510 0.078 0.000 1.021 55 N CA 1.810 54.962 53.050 0.170 0.000 0.862 55 N CB 0.079 38.666 38.487 0.168 0.000 1.018 55 N HN 0.252 nan 8.380 nan 0.000 0.429 56 E N -0.812 119.376 120.200 -0.020 0.000 2.122 56 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 56 E C 1.886 178.439 176.600 -0.077 0.000 0.977 56 E CA 0.296 56.684 56.400 -0.021 0.000 0.820 56 E CB -0.051 29.625 29.700 -0.038 0.000 0.770 56 E HN 0.341 nan 8.360 nan 0.000 0.462 57 L N 1.162 122.221 121.223 -0.274 0.000 2.083 57 L HA -0.152 4.187 4.340 -0.000 0.000 0.209 57 L C 2.292 179.060 176.870 -0.169 0.000 1.083 57 L CA 2.303 56.949 54.840 -0.323 0.000 0.752 57 L CB -0.616 40.996 42.059 -0.746 0.000 0.899 57 L HN 0.157 nan 8.230 nan 0.000 0.433 58 S N -1.021 114.601 115.700 -0.129 0.000 2.371 58 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 58 S C 2.061 176.624 174.600 -0.062 0.000 1.029 58 S CA 0.613 58.758 58.200 -0.092 0.000 0.978 58 S CB -0.544 62.655 63.200 -0.002 0.000 0.833 58 S HN 0.457 nan 8.310 nan 0.000 0.466 59 R N 0.172 120.760 120.500 0.147 0.000 2.082 59 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 59 R C 2.349 178.721 176.300 0.119 0.000 1.136 59 R CA 1.807 58.053 56.100 0.245 0.000 0.935 59 R CB -0.780 29.686 30.300 0.276 0.000 0.842 59 R HN 0.548 nan 8.270 nan 0.000 0.430 60 Y N 1.596 121.882 120.300 -0.023 0.000 2.165 60 Y HA -0.212 4.338 4.550 0.000 0.000 0.286 60 Y C 2.021 177.867 175.900 -0.091 0.000 1.155 60 Y CA 1.531 59.606 58.100 -0.042 0.000 1.164 60 Y CB -0.233 38.165 38.460 -0.103 0.000 0.978 60 Y HN -0.009 nan 8.280 nan 0.000 0.513 61 L N -1.016 120.085 121.223 -0.202 0.000 2.056 61 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 61 L C 2.259 178.827 176.870 -0.504 0.000 1.078 61 L CA 1.823 56.355 54.840 -0.513 0.000 0.749 61 L CB -0.711 40.725 42.059 -1.038 0.000 0.901 61 L HN 0.216 nan 8.230 nan 0.000 0.433 62 T N -1.471 112.900 114.554 -0.306 0.000 2.951 62 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 62 T C 1.375 176.061 174.700 -0.025 0.000 1.073 62 T CA 1.221 63.299 62.100 -0.037 0.000 1.134 62 T CB -0.096 68.602 68.868 -0.283 0.000 0.884 62 T HN 0.276 nan 8.240 nan 0.000 0.479 63 D N 0.683 121.028 120.400 -0.091 0.000 2.106 63 D HA -0.063 4.577 4.640 -0.000 0.000 0.203 63 D C 1.812 177.955 176.300 -0.261 0.000 0.977 63 D CA 1.130 55.066 54.000 -0.107 0.000 0.844 63 D CB -0.171 40.601 40.800 -0.046 0.000 1.002 63 D HN 0.376 nan 8.370 nan 0.000 0.461 64 H N -1.954 116.774 119.070 -0.570 0.000 2.529 64 H HA 0.178 4.734 4.556 -0.000 0.000 0.277 64 H C -0.191 174.522 175.328 -1.025 0.000 0.999 64 H CA 0.600 56.135 56.048 -0.857 0.000 1.256 64 H CB 0.081 29.090 29.762 -1.254 0.000 1.402 64 H HN 0.058 nan 8.280 nan 0.000 0.566 65 F N 0.379 120.269 119.950 -0.100 0.000 2.809 65 F HA 0.337 4.864 4.527 -0.000 0.000 0.369 65 F C -2.571 173.282 175.800 0.087 0.000 1.225 65 F CA -2.840 55.159 58.000 -0.001 0.000 1.201 65 F CB 1.091 40.111 39.000 0.033 0.000 1.527 65 F HN -0.157 nan 8.300 nan 0.000 0.565 66 P HA 0.225 nan 4.420 nan 0.000 0.274 66 P C -0.206 177.169 177.300 0.125 0.000 1.237 66 P CA -0.418 62.760 63.100 0.131 0.000 0.793 66 P CB 0.809 32.547 31.700 0.063 0.000 0.977 67 A N 2.370 125.248 122.820 0.096 0.000 2.548 67 A HA -0.011 4.308 4.320 -0.000 0.000 0.247 67 A C 0.320 177.901 177.584 -0.006 0.000 1.067 67 A CA 0.198 52.260 52.037 0.042 0.000 0.757 67 A CB -0.965 18.065 19.000 0.049 0.000 0.996 67 A HN 0.549 nan 8.150 nan 0.000 0.504 68 N N 2.223 120.845 118.700 -0.131 0.000 3.083 68 N HA 0.344 5.084 4.740 -0.000 0.000 0.260 68 N C -1.180 174.130 175.510 -0.333 0.000 1.163 68 N CA -0.207 52.590 53.050 -0.422 0.000 1.060 68 N CB 0.859 38.819 38.487 -0.879 0.000 1.345 68 N HN 0.385 nan 8.380 nan 0.000 0.515 69 V N 0.731 120.675 119.914 0.050 0.000 2.604 69 V HA 0.161 4.281 4.120 -0.000 0.000 0.305 69 V C 0.334 176.598 176.094 0.283 0.000 1.043 69 V CA -0.930 61.462 62.300 0.154 0.000 0.888 69 V CB 2.136 33.983 31.823 0.041 0.000 0.995 69 V HN 0.381 nan 8.190 nan 0.000 0.429 70 D N 2.130 122.695 120.400 0.275 0.000 2.349 70 D HA 0.048 4.688 4.640 -0.000 0.000 0.239 70 D C 1.227 177.614 176.300 0.145 0.000 1.315 70 D CA 0.192 54.309 54.000 0.194 0.000 0.937 70 D CB 0.835 41.722 40.800 0.144 0.000 1.133 70 D HN 0.695 nan 8.370 nan 0.000 0.489 71 E N -0.529 119.756 120.200 0.142 0.000 2.371 71 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 71 E C 0.548 177.087 176.600 -0.102 0.000 1.012 71 E CA 0.495 56.923 56.400 0.046 0.000 0.860 71 E CB 0.079 29.763 29.700 -0.027 0.000 0.811 71 E HN 0.507 nan 8.360 nan 0.000 0.502 72 Y N -0.116 120.150 120.300 -0.058 0.000 2.658 72 Y HA 0.274 4.824 4.550 -0.000 0.000 0.276 72 Y C 1.368 177.406 175.900 0.230 0.000 1.167 72 Y CA -0.108 57.924 58.100 -0.114 0.000 1.230 72 Y CB 1.073 39.273 38.460 -0.434 0.000 1.144 72 Y HN 0.065 nan 8.280 nan 0.000 0.529 73 G N 1.054 110.033 108.800 0.298 0.000 2.166 73 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 73 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 73 G C 0.333 175.345 174.900 0.187 0.000 0.986 73 G CA -0.115 45.076 45.100 0.151 0.000 0.683 73 G HN 0.381 nan 8.290 nan 0.000 0.527 74 R N -0.733 119.884 120.500 0.195 0.000 2.582 74 R HA 0.526 4.866 4.340 -0.000 0.000 0.271 74 R C 0.200 176.652 176.300 0.253 0.000 1.078 74 R CA -0.363 55.856 56.100 0.198 0.000 1.127 74 R CB 1.223 31.449 30.300 -0.123 0.000 1.038 74 R HN 0.104 nan 8.270 nan 0.000 0.500 75 V N 3.048 123.158 119.914 0.327 0.000 2.581 75 V HA 0.472 4.591 4.120 -0.000 0.000 0.303 75 V C -0.605 175.683 176.094 0.323 0.000 1.041 75 V CA -0.660 61.787 62.300 0.245 0.000 0.907 75 V CB 1.047 32.949 31.823 0.131 0.000 0.994 75 V HN 0.834 nan 8.190 nan 0.000 0.442 76 Y N 1.240 121.606 120.300 0.111 0.000 2.974 76 Y HA 0.890 5.440 4.550 -0.000 0.000 0.310 76 Y C 0.857 176.811 175.900 0.090 0.000 1.526 76 Y CA -0.228 57.933 58.100 0.102 0.000 1.087 76 Y CB 0.765 39.283 38.460 0.096 0.000 1.404 76 Y HN 1.086 nan 8.280 nan 0.000 0.491 77 G N 1.872 110.736 108.800 0.107 0.000 2.634 77 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.318 77 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.318 77 G C 0.611 175.502 174.900 -0.015 0.000 1.207 77 G CA 1.184 46.282 45.100 -0.004 0.000 0.987 77 G HN 1.505 nan 8.290 nan 0.000 0.547 78 N N 2.391 121.059 118.700 -0.053 0.000 2.494 78 N HA 0.323 5.063 4.740 -0.000 0.000 0.182 78 N C 1.936 177.450 175.510 0.007 0.000 1.076 78 N CA 1.955 55.021 53.050 0.027 0.000 0.908 78 N CB -0.364 38.187 38.487 0.107 0.000 0.967 78 N HN 2.400 nan 8.380 nan 0.000 0.449 79 G N -0.907 107.875 108.800 -0.029 0.000 2.176 79 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.253 79 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.253 79 G C -0.302 174.590 174.900 -0.014 0.000 0.979 79 G CA 0.268 45.365 45.100 -0.004 0.000 0.641 79 G HN 0.334 nan 8.290 nan 0.000 0.530 80 V N 1.699 121.602 119.914 -0.020 0.000 2.439 80 V HA 0.359 4.479 4.120 -0.000 0.000 0.271 80 V C 1.582 177.638 176.094 -0.065 0.000 1.040 80 V CA 0.800 63.074 62.300 -0.044 0.000 1.002 80 V CB 1.023 32.885 31.823 0.065 0.000 1.000 80 V HN 0.626 nan 8.190 nan 0.000 0.477 81 R N 2.651 123.099 120.500 -0.087 0.000 2.334 81 R HA 0.364 4.704 4.340 -0.000 0.000 0.216 81 R C 0.523 176.804 176.300 -0.030 0.000 0.905 81 R CA 0.232 56.310 56.100 -0.037 0.000 1.064 81 R CB 0.601 30.895 30.300 -0.010 0.000 1.046 81 R HN 0.638 nan 8.270 nan 0.000 0.508 82 T N -0.131 114.354 114.554 -0.114 0.000 2.663 82 T HA 0.139 4.489 4.350 -0.000 0.000 0.305 82 T C -1.710 172.864 174.700 -0.210 0.000 1.660 82 T CA -0.797 61.247 62.100 -0.093 0.000 0.976 82 T CB 0.591 69.417 68.868 -0.071 0.000 1.705 82 T HN 0.402 nan 8.240 nan 0.000 0.494 83 N N 0.437 119.078 118.700 -0.099 0.000 2.354 83 N HA 0.320 5.060 4.740 -0.000 0.000 0.246 83 N C 0.037 175.370 175.510 -0.296 0.000 1.285 83 N CA -0.343 52.635 53.050 -0.120 0.000 0.925 83 N CB -0.097 38.400 38.487 0.016 0.000 1.174 83 N HN 0.475 nan 8.380 nan 0.000 0.478 84 F N -1.546 118.177 119.950 -0.378 0.000 2.660 84 F HA 0.360 4.886 4.527 -0.000 0.000 0.302 84 F C 0.753 176.412 175.800 -0.235 0.000 1.103 84 F CA -0.599 57.251 58.000 -0.250 0.000 1.340 84 F CB -0.577 38.292 39.000 -0.218 0.000 1.048 84 F HN 0.370 nan 8.300 nan 0.000 0.551 85 F N 0.058 120.063 119.950 0.090 0.000 2.641 85 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 85 F C 2.386 178.106 175.800 -0.134 0.000 1.146 85 F CA 0.420 58.376 58.000 -0.075 0.000 1.464 85 F CB -0.720 38.221 39.000 -0.098 0.000 1.101 85 F HN 0.134 nan 8.300 nan 0.000 0.585 86 G N 1.746 110.611 108.800 0.109 0.000 2.513 86 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 86 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.219 86 G C 1.662 176.651 174.900 0.148 0.000 1.160 86 G CA 1.249 46.430 45.100 0.134 0.000 0.767 86 G HN 0.488 nan 8.290 nan 0.000 0.571 87 M N -0.224 119.425 119.600 0.083 0.000 2.539 87 M HA 0.125 4.605 4.480 -0.000 0.000 0.261 87 M C 1.351 177.586 176.300 -0.109 0.000 1.069 87 M CA 0.986 56.336 55.300 0.083 0.000 1.081 87 M CB -0.250 32.406 32.600 0.093 0.000 1.412 87 M HN -0.040 nan 8.290 nan 0.000 0.482 88 R N 1.645 121.880 120.500 -0.441 0.000 4.980 88 R HA 0.140 4.480 4.340 -0.000 0.000 0.190 88 R C -1.024 174.714 176.300 -0.937 0.000 2.095 88 R CA 0.169 55.560 56.100 -1.181 0.000 1.717 88 R CB -0.836 28.678 30.300 -1.310 0.000 1.337 88 R HN 0.551 nan 8.270 nan 0.000 0.820 89 H N -0.576 118.421 119.070 -0.123 0.000 2.679 89 H HA 0.274 4.830 4.556 -0.000 0.000 0.367 89 H C 0.248 175.742 175.328 0.277 0.000 1.162 89 H CA -0.855 55.265 56.048 0.121 0.000 1.181 89 H CB 1.534 31.359 29.762 0.105 0.000 1.693 89 H HN -0.094 nan 8.280 nan 0.000 0.538 90 M N 2.182 122.044 119.600 0.436 0.000 3.690 90 M HA 0.090 4.570 4.480 -0.000 0.000 0.209 90 M C -0.519 176.003 176.300 0.370 0.000 1.403 90 M CA -0.113 55.434 55.300 0.412 0.000 1.621 90 M CB -1.814 31.023 32.600 0.395 0.000 1.056 90 M HN 0.601 nan 8.290 nan 0.000 0.593 91 N N 1.383 120.257 118.700 0.290 0.000 2.182 91 N HA 0.089 4.829 4.740 -0.000 0.000 0.283 91 N C 1.212 176.754 175.510 0.054 0.000 1.380 91 N CA 0.744 53.893 53.050 0.165 0.000 0.874 91 N CB 0.032 38.626 38.487 0.177 0.000 1.190 91 N HN 0.798 nan 8.380 nan 0.000 0.494 92 G N 1.467 110.231 108.800 -0.061 0.000 2.797 92 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.195 92 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.195 92 G C -0.332 174.280 174.900 -0.480 0.000 1.026 92 G CA -0.728 44.178 45.100 -0.323 0.000 0.759 92 G HN 0.413 nan 8.290 nan 0.000 0.475 93 F N 4.104 124.071 119.950 0.027 0.000 2.388 93 F HA 0.545 5.072 4.527 -0.000 0.000 0.358 93 F C -1.740 174.114 175.800 0.089 0.000 1.122 93 F CA -2.260 55.773 58.000 0.054 0.000 1.056 93 F CB 2.052 41.086 39.000 0.057 0.000 1.155 93 F HN -0.116 nan 8.300 nan 0.000 0.461 94 P HA 0.213 nan 4.420 nan 0.000 0.278 94 P C -0.435 176.983 177.300 0.195 0.000 1.258 94 P CA -0.649 62.552 63.100 0.168 0.000 0.811 94 P CB 1.139 32.923 31.700 0.140 0.000 1.063 95 M N 0.542 120.219 119.600 0.129 0.000 2.228 95 M HA 0.338 4.818 4.480 -0.000 0.000 0.303 95 M C -0.331 176.025 176.300 0.094 0.000 1.099 95 M CA 0.934 56.299 55.300 0.109 0.000 1.171 95 M CB -0.304 32.333 32.600 0.061 0.000 1.412 95 M HN 0.121 nan 8.290 nan 0.000 0.447 96 I N 1.410 122.023 120.570 0.071 0.000 2.571 96 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 96 I C -2.537 173.619 176.117 0.065 0.000 1.115 96 I CA -1.954 59.365 61.300 0.031 0.000 1.045 96 I CB 2.367 40.357 38.000 -0.017 0.000 1.238 96 I HN 0.572 nan 8.210 nan 0.000 0.424 97 P HA 0.490 nan 4.420 nan 0.000 0.289 97 P C -0.582 176.671 177.300 -0.077 0.000 1.293 97 P CA -0.501 62.598 63.100 -0.002 0.000 0.897 97 P CB 1.481 33.229 31.700 0.080 0.000 1.166 98 A N 1.125 123.830 122.820 -0.191 0.000 2.455 98 A HA 0.342 4.662 4.320 -0.000 0.000 0.244 98 A C 0.576 178.031 177.584 -0.215 0.000 1.099 98 A CA 0.477 52.310 52.037 -0.339 0.000 0.786 98 A CB -0.748 17.673 19.000 -0.964 0.000 1.051 98 A HN 0.550 nan 8.150 nan 0.000 0.508 99 T N -0.924 113.566 114.554 -0.106 0.000 2.934 99 T HA 0.456 4.806 4.350 -0.000 0.000 0.283 99 T C -0.822 173.951 174.700 0.121 0.000 1.005 99 T CA -0.248 61.863 62.100 0.018 0.000 1.041 99 T CB 0.112 68.973 68.868 -0.012 0.000 1.042 99 T HN 0.422 nan 8.240 nan 0.000 0.505 100 W N 3.615 124.945 121.300 0.050 0.000 2.315 100 W HA 0.404 5.064 4.660 -0.000 0.000 0.316 100 W C -2.104 174.440 176.519 0.042 0.000 1.211 100 W CA -2.036 55.366 57.345 0.095 0.000 1.201 100 W CB 0.045 29.565 29.460 0.099 0.000 1.184 100 W HN 0.514 nan 8.180 nan 0.000 0.544 101 P HA -0.058 nan 4.420 nan 0.000 0.262 101 P C -0.323 177.051 177.300 0.123 0.000 1.199 101 P CA -0.067 63.101 63.100 0.114 0.000 0.763 101 P CB 0.297 32.041 31.700 0.074 0.000 0.790 102 L N 3.878 125.139 121.223 0.063 0.000 2.500 102 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 102 L C 1.378 178.267 176.870 0.032 0.000 1.149 102 L CA 0.486 55.358 54.840 0.053 0.000 0.897 102 L CB 0.013 42.086 42.059 0.023 0.000 1.178 102 L HN 0.465 nan 8.230 nan 0.000 0.473 103 A N 2.993 125.829 122.820 0.026 0.000 2.066 103 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 103 A C 1.003 178.592 177.584 0.008 0.000 1.157 103 A CA 1.034 53.081 52.037 0.018 0.000 0.670 103 A CB -0.105 18.897 19.000 0.002 0.000 0.804 103 A HN 0.619 nan 8.150 nan 0.000 0.453 104 S N -0.525 115.177 115.700 0.004 0.000 2.603 104 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 104 S C -0.060 174.546 174.600 0.010 0.000 1.168 104 S CA -0.289 57.914 58.200 0.006 0.000 0.963 104 S CB 0.724 63.924 63.200 -0.000 0.000 1.078 104 S HN 0.438 nan 8.310 nan 0.000 0.477 105 N N 5.646 124.356 118.700 0.017 0.000 2.336 105 N HA 0.094 4.834 4.740 -0.000 0.000 0.189 105 N C 1.388 176.934 175.510 0.059 0.000 1.113 105 N CA 0.089 53.152 53.050 0.021 0.000 0.858 105 N CB -0.490 38.005 38.487 0.014 0.000 0.970 105 N HN 0.616 nan 8.380 nan 0.000 0.471 106 L N 0.464 121.719 121.223 0.054 0.000 1.997 106 L HA -0.230 4.109 4.340 -0.000 0.000 0.216 106 L C 2.659 179.573 176.870 0.074 0.000 1.074 106 L CA 1.933 56.814 54.840 0.070 0.000 0.763 106 L CB -0.468 41.621 42.059 0.049 0.000 0.890 106 L HN 0.282 nan 8.230 nan 0.000 0.434 107 K N 0.494 120.922 120.400 0.048 0.000 2.076 107 K HA -0.203 4.117 4.320 -0.000 0.000 0.204 107 K C 2.246 178.891 176.600 0.076 0.000 1.051 107 K CA 1.189 57.503 56.287 0.045 0.000 0.949 107 K CB -0.000 32.503 32.500 0.005 0.000 0.726 107 K HN 0.121 nan 8.250 nan 0.000 0.443 108 K N 0.939 121.385 120.400 0.077 0.000 2.044 108 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 108 K C 2.174 178.913 176.600 0.233 0.000 1.049 108 K CA 1.592 57.940 56.287 0.102 0.000 0.927 108 K CB -0.034 32.458 32.500 -0.015 0.000 0.713 108 K HN 0.132 nan 8.250 nan 0.000 0.443 109 R N -0.121 120.532 120.500 0.255 0.000 2.070 109 R HA -0.136 4.204 4.340 -0.000 0.000 0.233 109 R C 2.472 178.892 176.300 0.200 0.000 1.137 109 R CA 1.355 57.644 56.100 0.315 0.000 0.945 109 R CB -0.487 29.968 30.300 0.258 0.000 0.845 109 R HN 0.297 nan 8.270 nan 0.000 0.430 110 A N 1.862 124.767 122.820 0.141 0.000 1.849 110 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 110 A C 1.564 179.202 177.584 0.090 0.000 1.202 110 A CA 2.146 54.240 52.037 0.095 0.000 0.629 110 A CB -0.777 18.264 19.000 0.068 0.000 0.834 110 A HN 0.246 nan 8.150 nan 0.000 0.447 111 D N -0.253 120.205 120.400 0.097 0.000 2.357 111 D HA -0.006 4.634 4.640 -0.000 0.000 0.216 111 D C 1.501 177.867 176.300 0.111 0.000 0.973 111 D CA 1.241 55.296 54.000 0.091 0.000 0.912 111 D CB -0.188 40.668 40.800 0.092 0.000 0.900 111 D HN 0.492 nan 8.370 nan 0.000 0.501 112 A N -0.152 122.751 122.820 0.139 0.000 2.390 112 A HA 0.093 4.413 4.320 -0.000 0.000 0.232 112 A C 0.121 177.738 177.584 0.055 0.000 1.233 112 A CA -0.087 52.027 52.037 0.129 0.000 0.907 112 A CB 0.516 19.645 19.000 0.215 0.000 0.967 112 A HN -0.076 nan 8.150 nan 0.000 0.512 113 D N -0.569 119.863 120.400 0.053 0.000 2.739 113 D HA -0.116 4.524 4.640 -0.000 0.000 0.240 113 D C -0.595 175.708 176.300 0.005 0.000 1.114 113 D CA 0.892 54.906 54.000 0.023 0.000 0.695 113 D CB -1.565 39.242 40.800 0.012 0.000 1.078 113 D HN 0.486 nan 8.370 nan 0.000 0.434 114 L N -0.424 120.819 121.223 0.033 0.000 2.334 114 L HA 0.746 5.086 4.340 -0.000 0.000 0.276 114 L C 1.023 177.956 176.870 0.105 0.000 1.014 114 L CA -1.086 53.783 54.840 0.048 0.000 0.815 114 L CB 1.722 43.805 42.059 0.041 0.000 1.268 114 L HN 0.055 nan 8.230 nan 0.000 0.428 115 A N 1.022 123.907 122.820 0.109 0.000 2.425 115 A HA 0.170 4.490 4.320 -0.000 0.000 0.242 115 A C 0.474 178.147 177.584 0.149 0.000 1.077 115 A CA -0.204 51.874 52.037 0.067 0.000 0.781 115 A CB 0.084 19.075 19.000 -0.015 0.000 1.020 115 A HN 0.865 nan 8.150 nan 0.000 0.494 116 D N 0.203 120.566 120.400 -0.062 0.000 2.370 116 D HA 0.407 5.047 4.640 -0.000 0.000 0.230 116 D C 0.421 176.193 176.300 -0.879 0.000 1.143 116 D CA 0.673 54.605 54.000 -0.113 0.000 0.834 116 D CB -0.226 40.557 40.800 -0.029 0.000 0.944 116 D HN 0.956 nan 8.370 nan 0.000 0.504 117 G N -0.375 107.539 108.800 -1.478 0.000 2.313 117 G HA2 0.315 4.275 3.960 -0.000 0.000 0.296 117 G HA3 0.315 4.275 3.960 -0.000 0.000 0.296 117 G C -3.227 170.934 174.900 -1.232 0.000 1.356 117 G CA -1.122 42.764 45.100 -2.024 0.000 0.833 117 G HN -0.119 nan 8.290 nan 0.000 0.552 118 P HA 0.271 nan 4.420 nan 0.000 0.265 118 P C 0.971 178.233 177.300 -0.064 0.000 1.193 118 P CA -0.272 62.717 63.100 -0.185 0.000 0.765 118 P CB 1.296 32.966 31.700 -0.050 0.000 0.823 119 V N 1.329 121.309 119.914 0.109 0.000 2.446 119 V HA -0.060 4.060 4.120 -0.000 0.000 0.244 119 V C 1.066 177.148 176.094 -0.019 0.000 1.039 119 V CA 1.857 64.150 62.300 -0.012 0.000 1.045 119 V CB -0.471 31.316 31.823 -0.061 0.000 0.681 119 V HN 0.684 nan 8.190 nan 0.000 0.459 120 S N -1.112 114.599 115.700 0.018 0.000 2.568 120 S HA 0.466 4.936 4.470 -0.000 0.000 0.293 120 S C 0.409 175.009 174.600 0.001 0.000 1.089 120 S CA -0.363 57.832 58.200 -0.008 0.000 0.945 120 S CB 2.295 65.483 63.200 -0.019 0.000 1.077 120 S HN 0.174 nan 8.310 nan 0.000 0.485 121 E N 1.353 121.544 120.200 -0.015 0.000 2.267 121 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 121 E C 1.902 178.495 176.600 -0.013 0.000 0.998 121 E CA 1.439 57.832 56.400 -0.012 0.000 0.830 121 E CB -0.103 29.586 29.700 -0.019 0.000 0.751 121 E HN 0.674 nan 8.360 nan 0.000 0.491 122 R N 0.219 120.702 120.500 -0.029 0.000 2.070 122 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 122 R C 1.370 177.643 176.300 -0.044 0.000 1.138 122 R CA 2.015 58.084 56.100 -0.052 0.000 0.936 122 R CB -0.358 29.895 30.300 -0.079 0.000 0.839 122 R HN 0.186 nan 8.270 nan 0.000 0.429 123 D N 0.322 120.714 120.400 -0.013 0.000 2.133 123 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 123 D C 1.583 177.924 176.300 0.068 0.000 0.997 123 D CA 1.425 55.422 54.000 -0.006 0.000 0.840 123 D CB -0.716 40.177 40.800 0.155 0.000 0.947 123 D HN 0.308 nan 8.370 nan 0.000 0.452 124 N N -0.011 118.754 118.700 0.108 0.000 2.258 124 N HA -0.123 4.617 4.740 -0.000 0.000 0.187 124 N C 1.643 177.217 175.510 0.105 0.000 1.012 124 N CA 0.756 53.885 53.050 0.133 0.000 0.870 124 N CB -0.163 38.357 38.487 0.056 0.000 0.977 124 N HN 0.190 nan 8.380 nan 0.000 0.434 125 L N -0.494 120.752 121.223 0.038 0.000 2.102 125 L HA 0.013 4.353 4.340 -0.000 0.000 0.202 125 L C 2.143 179.012 176.870 -0.003 0.000 1.076 125 L CA 0.467 55.316 54.840 0.016 0.000 0.761 125 L CB -0.350 41.700 42.059 -0.015 0.000 0.921 125 L HN 0.188 nan 8.230 nan 0.000 0.444 126 L N -1.190 119.993 121.223 -0.067 0.000 2.079 126 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 126 L C 2.530 179.330 176.870 -0.117 0.000 1.081 126 L CA 1.546 56.298 54.840 -0.147 0.000 0.752 126 L CB -0.592 41.317 42.059 -0.250 0.000 0.896 126 L HN 0.157 nan 8.230 nan 0.000 0.433 127 F N 0.243 120.191 119.950 -0.004 0.000 2.075 127 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 127 F C 2.843 178.665 175.800 0.037 0.000 1.113 127 F CA 1.131 59.146 58.000 0.025 0.000 1.218 127 F CB -0.186 38.831 39.000 0.030 0.000 0.984 127 F HN -0.083 nan 8.300 nan 0.000 0.472 128 R N 0.194 120.827 120.500 0.221 0.000 2.120 128 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 128 R C 2.361 178.716 176.300 0.092 0.000 1.123 128 R CA 0.963 57.140 56.100 0.129 0.000 0.975 128 R CB -0.761 29.591 30.300 0.088 0.000 0.866 128 R HN 0.289 nan 8.270 nan 0.000 0.446 129 A N 1.812 124.662 122.820 0.050 0.000 1.851 129 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 129 A C 2.478 180.072 177.584 0.016 0.000 1.195 129 A CA 1.854 53.891 52.037 -0.000 0.000 0.622 129 A CB -0.921 18.031 19.000 -0.081 0.000 0.831 129 A HN 0.381 nan 8.150 nan 0.000 0.444 130 A N -0.688 122.138 122.820 0.011 0.000 1.927 130 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 130 A C 2.259 180.048 177.584 0.341 0.000 1.185 130 A CA 2.232 54.384 52.037 0.192 0.000 0.639 130 A CB -1.173 18.034 19.000 0.346 0.000 0.820 130 A HN 0.516 nan 8.150 nan 0.000 0.451 131 V N -0.142 119.936 119.914 0.273 0.000 2.343 131 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 131 V C 2.689 178.962 176.094 0.299 0.000 1.051 131 V CA 2.257 64.725 62.300 0.280 0.000 1.036 131 V CB -0.796 31.080 31.823 0.088 0.000 0.654 131 V HN 0.528 nan 8.190 nan 0.000 0.451 132 R N -0.224 120.391 120.500 0.193 0.000 2.061 132 R HA -0.061 4.279 4.340 -0.000 0.000 0.230 132 R C 2.307 178.743 176.300 0.226 0.000 1.140 132 R CA 1.461 57.667 56.100 0.177 0.000 0.940 132 R CB -0.635 29.735 30.300 0.116 0.000 0.839 132 R HN 0.400 nan 8.270 nan 0.000 0.429 133 L N 0.385 121.742 121.223 0.222 0.000 2.263 133 L HA -0.191 4.149 4.340 -0.000 0.000 0.216 133 L C 2.527 179.598 176.870 0.333 0.000 1.111 133 L CA 1.182 56.199 54.840 0.294 0.000 0.773 133 L CB -0.357 41.850 42.059 0.247 0.000 0.906 133 L HN 0.297 nan 8.230 nan 0.000 0.439 134 M N -1.744 118.028 119.600 0.287 0.000 2.357 134 M HA -0.011 4.469 4.480 -0.000 0.000 0.266 134 M C 1.070 177.273 176.300 -0.162 0.000 1.095 134 M CA 1.414 56.748 55.300 0.057 0.000 1.156 134 M CB 0.180 32.777 32.600 -0.004 0.000 1.365 134 M HN 0.101 nan 8.290 nan 0.000 0.447 135 F N 0.234 120.221 119.950 0.061 0.000 2.647 135 F HA 0.163 4.690 4.527 -0.000 0.000 0.300 135 F C 0.982 176.872 175.800 0.151 0.000 1.106 135 F CA -0.566 57.463 58.000 0.047 0.000 1.313 135 F CB 0.069 38.976 39.000 -0.155 0.000 1.007 135 F HN -0.062 nan 8.300 nan 0.000 0.536 136 S N -1.460 114.380 115.700 0.233 0.000 2.578 136 S HA 0.420 4.890 4.470 -0.000 0.000 0.301 136 S C -0.448 174.213 174.600 0.101 0.000 1.091 136 S CA -0.783 57.524 58.200 0.178 0.000 1.032 136 S CB 1.585 64.885 63.200 0.167 0.000 1.064 136 S HN 0.222 nan 8.310 nan 0.000 0.508 137 D N 0.550 120.985 120.400 0.058 0.000 2.828 137 D HA -0.119 4.521 4.640 -0.000 0.000 0.241 137 D C -0.902 175.401 176.300 0.006 0.000 1.142 137 D CA 0.727 54.742 54.000 0.024 0.000 0.755 137 D CB -1.395 39.426 40.800 0.036 0.000 1.014 137 D HN 0.597 nan 8.370 nan 0.000 0.420 138 L N 0.703 121.918 121.223 -0.014 0.000 2.295 138 L HA 0.273 4.613 4.340 -0.000 0.000 0.285 138 L C 0.950 177.798 176.870 -0.037 0.000 1.035 138 L CA -0.672 54.150 54.840 -0.030 0.000 0.806 138 L CB 1.311 43.345 42.059 -0.040 0.000 1.214 138 L HN -0.146 nan 8.230 nan 0.000 0.426 139 E N 3.792 123.973 120.200 -0.031 0.000 2.146 139 E HA 0.323 4.672 4.350 -0.000 0.000 0.282 139 E C -2.273 174.315 176.600 -0.020 0.000 0.989 139 E CA -1.981 54.404 56.400 -0.025 0.000 0.799 139 E CB 1.137 30.825 29.700 -0.021 0.000 1.088 139 E HN 0.258 nan 8.360 nan 0.000 0.397 140 P HA -0.017 nan 4.420 nan 0.000 0.266 140 P C -0.312 176.992 177.300 0.007 0.000 1.195 140 P CA -0.038 63.063 63.100 0.001 0.000 0.768 140 P CB 0.641 32.343 31.700 0.005 0.000 0.838 141 V N 0.204 120.129 119.914 0.018 0.000 3.156 141 V HA 0.792 4.912 4.120 -0.000 0.000 0.310 141 V C -2.848 173.261 176.094 0.023 0.000 1.234 141 V CA -2.931 59.378 62.300 0.015 0.000 1.065 141 V CB 1.327 33.158 31.823 0.013 0.000 1.088 141 V HN 0.212 nan 8.190 nan 0.000 0.451 142 P HA 0.339 nan 4.420 nan 0.000 0.274 142 P C -0.542 176.776 177.300 0.030 0.000 1.231 142 P CA -0.296 62.813 63.100 0.015 0.000 0.790 142 P CB 0.489 32.189 31.700 0.000 0.000 0.951 143 L N 3.202 124.439 121.223 0.024 0.000 2.385 143 L HA 0.114 4.453 4.340 -0.000 0.000 0.285 143 L C 0.272 177.173 176.870 0.051 0.000 1.125 143 L CA -0.366 54.495 54.840 0.036 0.000 0.890 143 L CB -0.194 41.871 42.059 0.010 0.000 1.251 143 L HN 0.176 nan 8.230 nan 0.000 0.445 144 K N 6.287 126.731 120.400 0.074 0.000 2.349 144 K HA 0.304 4.624 4.320 -0.000 0.000 0.288 144 K C -0.315 176.346 176.600 0.102 0.000 1.058 144 K CA -0.049 56.291 56.287 0.088 0.000 0.953 144 K CB 1.195 33.788 32.500 0.154 0.000 0.997 144 K HN 0.592 nan 8.250 nan 0.000 0.477 145 I N 3.419 124.049 120.570 0.100 0.000 2.336 145 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 145 I C 0.667 176.822 176.117 0.064 0.000 0.991 145 I CA -1.043 60.334 61.300 0.129 0.000 1.227 145 I CB 1.206 39.300 38.000 0.156 0.000 1.366 145 I HN 0.334 nan 8.210 nan 0.000 0.466 146 R N 6.607 127.137 120.500 0.051 0.000 2.570 146 R HA 0.087 4.427 4.340 -0.000 0.000 0.277 146 R C -0.470 175.818 176.300 -0.021 0.000 1.039 146 R CA 0.310 56.411 56.100 0.001 0.000 1.065 146 R CB 0.344 30.649 30.300 0.008 0.000 0.964 146 R HN 0.430 nan 8.270 nan 0.000 0.428 147 K N 2.526 122.906 120.400 -0.034 0.000 2.237 147 K HA 0.273 4.593 4.320 -0.000 0.000 0.270 147 K C 0.792 177.354 176.600 -0.063 0.000 1.015 147 K CA 0.745 57.007 56.287 -0.042 0.000 0.949 147 K CB 0.870 33.351 32.500 -0.032 0.000 0.976 147 K HN 0.872 nan 8.250 nan 0.000 0.472 148 G N 1.107 109.865 108.800 -0.071 0.000 2.284 148 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.247 148 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.247 148 G C 0.206 175.056 174.900 -0.083 0.000 1.012 148 G CA 0.469 45.521 45.100 -0.080 0.000 0.618 148 G HN 0.726 nan 8.290 nan 0.000 0.521 149 S N 0.094 115.743 115.700 -0.086 0.000 2.579 149 S HA 0.610 5.080 4.470 -0.000 0.000 0.275 149 S C 0.477 175.008 174.600 -0.115 0.000 1.345 149 S CA 0.795 58.947 58.200 -0.080 0.000 1.031 149 S CB 1.820 64.982 63.200 -0.063 0.000 0.892 149 S HN 1.423 nan 8.310 nan 0.000 0.529 150 S N 0.068 115.719 115.700 -0.081 0.000 2.672 150 S HA 0.454 4.924 4.470 -0.000 0.000 0.276 150 S C 1.336 175.822 174.600 -0.191 0.000 1.207 150 S CA -0.076 58.065 58.200 -0.098 0.000 1.002 150 S CB 0.808 64.005 63.200 -0.005 0.000 0.998 150 S HN 1.035 nan 8.310 nan 0.000 0.542 151 T N -0.182 114.228 114.554 -0.240 0.000 3.044 151 T HA 0.201 4.551 4.350 -0.000 0.000 0.250 151 T C 1.197 175.708 174.700 -0.316 0.000 1.081 151 T CA 0.551 62.500 62.100 -0.251 0.000 1.040 151 T CB -1.397 67.344 68.868 -0.212 0.000 0.962 151 T HN 0.833 nan 8.240 nan 0.000 0.506 152 C N 0.734 119.672 119.300 -0.603 0.000 0.168 152 C HA -0.225 4.235 4.460 -0.000 0.000 0.017 152 C C 0.995 175.068 174.990 -1.528 0.000 0.171 152 C CA -0.931 57.253 59.018 -1.390 0.000 0.499 152 C CB -1.774 25.598 27.740 -0.613 0.000 3.212 152 C HN 0.717 nan 8.230 nan 0.000 1.118 153 I N 3.139 123.048 120.570 -1.102 0.000 2.742 153 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 153 I C -1.284 174.555 176.117 -0.463 0.000 1.186 153 I CA -0.065 60.833 61.300 -0.670 0.000 1.417 153 I CB 0.367 38.114 38.000 -0.422 0.000 1.377 153 I HN 0.551 nan 8.210 nan 0.000 0.556 154 P HA 0.077 nan 4.420 nan 0.000 0.279 154 P C 0.805 177.930 177.300 -0.291 0.000 1.237 154 P CA 0.457 63.279 63.100 -0.464 0.000 0.888 154 P CB 0.324 31.701 31.700 -0.538 0.000 1.324 155 Y N -1.120 119.105 120.300 -0.125 0.000 2.420 155 Y HA 0.249 4.799 4.550 -0.000 0.000 0.292 155 Y C 0.651 176.607 175.900 0.093 0.000 1.119 155 Y CA -0.324 57.769 58.100 -0.012 0.000 1.229 155 Y CB -1.216 37.214 38.460 -0.051 0.000 1.026 155 Y HN -0.282 nan 8.280 nan 0.000 0.554 156 F N 0.431 120.399 119.950 0.030 0.000 3.027 156 F HA -0.265 4.262 4.527 -0.000 0.000 0.276 156 F C 0.764 176.550 175.800 -0.023 0.000 0.967 156 F CA 0.564 58.540 58.000 -0.040 0.000 0.929 156 F CB -1.556 37.403 39.000 -0.068 0.000 0.873 156 F HN -0.008 nan 8.300 nan 0.000 0.787 157 S N 0.827 116.571 115.700 0.074 0.000 2.687 157 S HA 0.713 5.183 4.470 -0.000 0.000 0.283 157 S C 0.410 174.982 174.600 -0.047 0.000 1.170 157 S CA -0.054 58.155 58.200 0.016 0.000 1.008 157 S CB 1.002 64.191 63.200 -0.018 0.000 1.026 157 S HN 0.418 nan 8.310 nan 0.000 0.541 158 N N 1.916 120.584 118.700 -0.053 0.000 2.628 158 N HA 0.144 4.883 4.740 -0.000 0.000 0.299 158 N C -1.653 173.806 175.510 -0.084 0.000 1.834 158 N CA -0.513 52.485 53.050 -0.088 0.000 0.871 158 N CB 0.285 38.732 38.487 -0.067 0.000 1.377 158 N HN 0.510 nan 8.380 nan 0.000 0.493 159 D N 1.096 121.443 120.400 -0.088 0.000 2.392 159 D HA 0.134 4.774 4.640 -0.000 0.000 0.228 159 D C 1.100 177.345 176.300 -0.092 0.000 1.074 159 D CA -0.464 53.488 54.000 -0.079 0.000 0.838 159 D CB 1.550 42.309 40.800 -0.068 0.000 1.067 159 D HN 0.012 nan 8.370 nan 0.000 0.511 160 M N 4.192 123.739 119.600 -0.088 0.000 2.108 160 M HA -0.084 4.396 4.480 -0.000 0.000 0.257 160 M C 1.774 178.036 176.300 -0.064 0.000 1.071 160 M CA 2.354 57.605 55.300 -0.082 0.000 1.093 160 M CB -0.820 31.724 32.600 -0.094 0.000 1.345 160 M HN 0.489 nan 8.290 nan 0.000 0.403 161 G N -1.707 107.051 108.800 -0.070 0.000 2.440 161 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 161 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 161 G C 1.436 176.311 174.900 -0.042 0.000 1.154 161 G CA 1.507 46.576 45.100 -0.052 0.000 0.767 161 G HN 0.529 nan 8.290 nan 0.000 0.552 162 T N 0.870 115.386 114.554 -0.063 0.000 2.777 162 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 162 T C 2.350 177.018 174.700 -0.054 0.000 1.040 162 T CA 1.357 63.415 62.100 -0.071 0.000 1.141 162 T CB -0.130 68.681 68.868 -0.095 0.000 0.868 162 T HN 0.312 nan 8.240 nan 0.000 0.444 163 K N 0.794 121.142 120.400 -0.087 0.000 2.026 163 K HA -0.044 4.276 4.320 -0.000 0.000 0.208 163 K C 2.245 178.877 176.600 0.052 0.000 1.048 163 K CA 1.025 57.241 56.287 -0.118 0.000 0.929 163 K CB -0.391 31.947 32.500 -0.270 0.000 0.713 163 K HN 0.251 nan 8.250 nan 0.000 0.439 164 I N 2.146 122.749 120.570 0.055 0.000 2.118 164 I HA -0.275 3.895 4.170 -0.000 0.000 0.241 164 I C 2.328 178.495 176.117 0.085 0.000 1.070 164 I CA 1.622 62.981 61.300 0.099 0.000 1.327 164 I CB -1.148 36.911 38.000 0.099 0.000 1.034 164 I HN 0.287 nan 8.210 nan 0.000 0.405 165 E N 0.629 120.859 120.200 0.049 0.000 2.058 165 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 165 E C 2.343 178.978 176.600 0.060 0.000 0.997 165 E CA 1.416 57.838 56.400 0.036 0.000 0.801 165 E CB -0.138 29.562 29.700 0.001 0.000 0.746 165 E HN 0.494 nan 8.360 nan 0.000 0.450 166 I N 1.090 121.713 120.570 0.090 0.000 2.163 166 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 166 I C 2.678 178.889 176.117 0.158 0.000 1.085 166 I CA 1.088 62.477 61.300 0.149 0.000 1.347 166 I CB -0.541 37.602 38.000 0.239 0.000 1.044 166 I HN 0.053 nan 8.210 nan 0.000 0.408 167 A N 0.818 123.769 122.820 0.219 0.000 1.865 167 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 167 A C 2.241 179.830 177.584 0.008 0.000 1.191 167 A CA 1.968 54.080 52.037 0.125 0.000 0.623 167 A CB -0.703 18.423 19.000 0.211 0.000 0.826 167 A HN 0.480 nan 8.150 nan 0.000 0.444 168 E N -1.054 119.165 120.200 0.031 0.000 2.051 168 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 168 E C 2.298 178.898 176.600 -0.000 0.000 0.991 168 E CA 1.322 57.724 56.400 0.003 0.000 0.799 168 E CB -0.205 29.509 29.700 0.023 0.000 0.748 168 E HN 0.476 nan 8.360 nan 0.000 0.449 169 R N 1.483 121.998 120.500 0.024 0.000 2.103 169 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 169 R C 2.005 178.318 176.300 0.021 0.000 1.142 169 R CA 1.884 58.004 56.100 0.033 0.000 0.960 169 R CB -0.836 29.497 30.300 0.055 0.000 0.858 169 R HN 0.172 nan 8.270 nan 0.000 0.439 170 A N 0.695 123.518 122.820 0.005 0.000 1.865 170 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 170 A C 2.306 179.848 177.584 -0.071 0.000 1.191 170 A CA 1.689 53.709 52.037 -0.028 0.000 0.623 170 A CB -0.789 18.171 19.000 -0.066 0.000 0.826 170 A HN 0.372 nan 8.150 nan 0.000 0.444 171 L N -0.785 120.337 121.223 -0.168 0.000 2.261 171 L HA -0.219 4.120 4.340 -0.000 0.000 0.216 171 L C 2.505 179.406 176.870 0.051 0.000 1.114 171 L CA 1.422 56.076 54.840 -0.309 0.000 0.777 171 L CB -0.642 41.148 42.059 -0.449 0.000 0.910 171 L HN 0.562 nan 8.230 nan 0.000 0.440 172 E N 0.085 120.297 120.200 0.021 0.000 2.011 172 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 172 E C 1.506 178.087 176.600 -0.033 0.000 0.980 172 E CA 0.619 57.038 56.400 0.031 0.000 0.814 172 E CB 0.204 29.912 29.700 0.014 0.000 0.775 172 E HN 0.164 nan 8.360 nan 0.000 0.454 173 K N 0.638 120.986 120.400 -0.087 0.000 2.522 173 K HA 0.136 4.456 4.320 -0.000 0.000 0.194 173 K C 1.272 177.655 176.600 -0.361 0.000 1.026 173 K CA 0.153 56.276 56.287 -0.272 0.000 1.119 173 K CB 0.385 32.684 32.500 -0.335 0.000 0.856 173 K HN 0.093 nan 8.250 nan 0.000 0.513 174 A N 1.250 123.992 122.820 -0.128 0.000 1.902 174 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 174 A C 2.232 179.705 177.584 -0.185 0.000 1.181 174 A CA 1.691 53.745 52.037 0.027 0.000 0.623 174 A CB -0.268 19.004 19.000 0.452 0.000 0.818 174 A HN 0.461 nan 8.150 nan 0.000 0.443 175 E N -0.238 119.514 120.200 -0.746 0.000 2.051 175 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 175 E C 1.965 178.109 176.600 -0.760 0.000 0.991 175 E CA 1.453 56.873 56.400 -1.633 0.000 0.799 175 E CB -0.224 28.428 29.700 -1.746 0.000 0.748 175 E HN 0.702 nan 8.360 nan 0.000 0.449 176 E N -0.414 119.481 120.200 -0.509 0.000 2.130 176 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 176 E C 1.790 178.247 176.600 -0.238 0.000 0.998 176 E CA 1.305 57.510 56.400 -0.325 0.000 0.806 176 E CB -0.130 29.392 29.700 -0.296 0.000 0.738 176 E HN 0.405 nan 8.360 nan 0.000 0.459 177 A N 0.085 122.742 122.820 -0.272 0.000 1.898 177 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 177 A C 2.375 179.939 177.584 -0.033 0.000 1.183 177 A CA 1.205 53.171 52.037 -0.117 0.000 0.622 177 A CB -0.911 18.022 19.000 -0.112 0.000 0.824 177 A HN 0.413 nan 8.150 nan 0.000 0.444 178 G N 0.372 109.202 108.800 0.050 0.000 2.446 178 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 178 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 178 G C 1.415 176.381 174.900 0.109 0.000 1.168 178 G CA 1.185 46.395 45.100 0.183 0.000 0.771 178 G HN 0.492 nan 8.290 nan 0.000 0.551 179 N N 0.337 119.074 118.700 0.062 0.000 2.166 179 N HA -0.024 4.716 4.740 -0.000 0.000 0.186 179 N C 2.265 177.755 175.510 -0.034 0.000 1.019 179 N CA 0.608 53.674 53.050 0.027 0.000 0.856 179 N CB -0.324 38.143 38.487 -0.033 0.000 0.993 179 N HN 0.300 nan 8.380 nan 0.000 0.426 180 L N 0.404 121.588 121.223 -0.066 0.000 2.083 180 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 180 L C 2.322 179.060 176.870 -0.220 0.000 1.083 180 L CA 0.923 55.705 54.840 -0.097 0.000 0.752 180 L CB -0.213 41.813 42.059 -0.055 0.000 0.899 180 L HN 0.161 nan 8.230 nan 0.000 0.433 181 M N -0.978 118.441 119.600 -0.302 0.000 2.159 181 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 181 M C 2.223 178.250 176.300 -0.455 0.000 1.063 181 M CA 1.638 56.523 55.300 -0.690 0.000 1.110 181 M CB -0.336 31.956 32.600 -0.514 0.000 1.374 181 M HN 0.245 nan 8.290 nan 0.000 0.411 182 L N -0.266 120.858 121.223 -0.165 0.000 2.083 182 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 182 L C 2.162 179.000 176.870 -0.053 0.000 1.083 182 L CA 1.328 56.138 54.840 -0.051 0.000 0.752 182 L CB -0.654 41.420 42.059 0.024 0.000 0.899 182 L HN 0.398 nan 8.230 nan 0.000 0.433 183 Q N -0.326 119.426 119.800 -0.080 0.000 2.482 183 Q HA 0.024 4.364 4.340 -0.000 0.000 0.209 183 Q C 1.490 177.459 176.000 -0.051 0.000 0.961 183 Q CA 0.601 56.376 55.803 -0.047 0.000 0.945 183 Q CB 0.226 28.940 28.738 -0.040 0.000 1.012 183 Q HN 0.627 nan 8.270 nan 0.000 0.515 184 G N 1.489 110.209 108.800 -0.134 0.000 2.176 184 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 184 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 184 G C -0.065 174.803 174.900 -0.054 0.000 0.979 184 G CA -0.058 45.014 45.100 -0.048 0.000 0.641 184 G HN 0.296 nan 8.290 nan 0.000 0.530 185 K N 0.657 120.960 120.400 -0.161 0.000 2.187 185 K HA 0.473 4.793 4.320 -0.000 0.000 0.242 185 K C 0.626 177.165 176.600 -0.101 0.000 1.179 185 K CA -0.563 55.688 56.287 -0.061 0.000 1.097 185 K CB -0.120 32.358 32.500 -0.037 0.000 1.634 185 K HN 0.240 nan 8.250 nan 0.000 0.335 186 F N 0.955 120.929 119.950 0.039 0.000 2.293 186 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 186 F C 1.764 177.600 175.800 0.060 0.000 1.089 186 F CA 0.992 59.016 58.000 0.040 0.000 1.377 186 F CB 0.166 39.173 39.000 0.012 0.000 1.051 186 F HN 0.380 nan 8.300 nan 0.000 0.511 187 D N 0.194 120.724 120.400 0.217 0.000 2.117 187 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 187 D C 1.797 178.186 176.300 0.148 0.000 0.982 187 D CA 1.230 55.330 54.000 0.168 0.000 0.828 187 D CB -0.445 40.421 40.800 0.109 0.000 0.967 187 D HN 0.163 nan 8.370 nan 0.000 0.464 188 D N 0.489 120.945 120.400 0.093 0.000 2.149 188 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 188 D C 1.927 178.266 176.300 0.065 0.000 0.990 188 D CA 1.208 55.240 54.000 0.053 0.000 0.839 188 D CB -0.146 40.671 40.800 0.028 0.000 0.948 188 D HN 0.149 nan 8.370 nan 0.000 0.460 189 A N -0.290 122.587 122.820 0.095 0.000 1.968 189 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 189 A C 2.115 179.799 177.584 0.166 0.000 1.169 189 A CA 0.965 53.086 52.037 0.140 0.000 0.638 189 A CB -0.716 18.333 19.000 0.081 0.000 0.812 189 A HN 0.345 nan 8.150 nan 0.000 0.446 190 Y N 0.258 120.579 120.300 0.036 0.000 2.286 190 Y HA -0.055 4.495 4.550 -0.000 0.000 0.293 190 Y C 2.301 178.171 175.900 -0.050 0.000 1.124 190 Y CA 1.928 60.025 58.100 -0.006 0.000 1.178 190 Y CB -0.256 38.193 38.460 -0.017 0.000 1.010 190 Y HN 0.381 nan 8.280 nan 0.000 0.536 191 Q N -0.194 119.553 119.800 -0.088 0.000 2.230 191 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 191 Q C 1.964 177.811 176.000 -0.255 0.000 0.963 191 Q CA 1.334 57.020 55.803 -0.195 0.000 0.866 191 Q CB 0.096 28.812 28.738 -0.036 0.000 0.931 191 Q HN 0.496 nan 8.270 nan 0.000 0.452 192 L N -0.978 120.079 121.223 -0.276 0.000 2.354 192 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 192 L C 1.012 177.388 176.870 -0.822 0.000 1.091 192 L CA 0.623 55.135 54.840 -0.548 0.000 0.828 192 L CB 0.229 41.901 42.059 -0.645 0.000 0.973 192 L HN 0.364 nan 8.230 nan 0.000 0.461 193 H N -1.259 117.743 119.070 -0.114 0.000 3.480 193 H HA 0.152 4.708 4.556 -0.000 0.000 0.257 193 H C -0.129 175.120 175.328 -0.133 0.000 1.196 193 H CA -0.183 55.813 56.048 -0.085 0.000 1.100 193 H CB 0.709 30.446 29.762 -0.041 0.000 1.683 193 H HN 0.053 nan 8.280 nan 0.000 0.702 194 Q N 0.503 120.156 119.800 -0.244 0.000 2.451 194 Q HA -0.179 4.161 4.340 -0.000 0.000 0.305 194 Q C -0.441 175.530 176.000 -0.049 0.000 1.345 194 Q CA 0.815 56.374 55.803 -0.407 0.000 0.854 194 Q CB -1.912 26.581 28.738 -0.409 0.000 1.162 194 Q HN 0.502 nan 8.270 nan 0.000 0.440 195 M N -0.175 119.489 119.600 0.107 0.000 2.043 195 M HA 0.610 5.090 4.480 -0.000 0.000 0.322 195 M C 0.744 177.171 176.300 0.211 0.000 0.962 195 M CA 0.195 55.573 55.300 0.131 0.000 0.927 195 M CB 1.623 34.282 32.600 0.098 0.000 1.466 195 M HN 0.452 nan 8.290 nan 0.000 0.412 196 G N 1.213 110.090 108.800 0.128 0.000 2.265 196 G HA2 0.329 4.289 3.960 -0.000 0.000 0.246 196 G HA3 0.329 4.289 3.960 -0.000 0.000 0.246 196 G C -0.039 174.752 174.900 -0.181 0.000 1.299 196 G CA -0.238 44.878 45.100 0.026 0.000 1.117 196 G HN 1.213 nan 8.290 nan 0.000 0.485 197 G N -0.594 107.932 108.800 -0.457 0.000 3.127 197 G HA2 0.428 4.388 3.960 -0.000 0.000 0.280 197 G HA3 0.428 4.388 3.960 -0.000 0.000 0.280 197 G C 0.821 175.512 174.900 -0.348 0.000 1.491 197 G CA 2.344 47.037 45.100 -0.679 0.000 1.029 197 G HN 3.059 nan 8.290 nan 0.000 0.582 198 A N -2.097 120.552 122.820 -0.285 0.000 2.586 198 A HA 0.690 5.010 4.320 -0.000 0.000 0.291 198 A C -1.025 176.463 177.584 -0.159 0.000 1.062 198 A CA -0.198 51.752 52.037 -0.146 0.000 0.666 198 A CB 0.253 19.247 19.000 -0.011 0.000 1.281 198 A HN 1.462 nan 8.150 nan 0.000 0.421 199 Y N -0.436 119.888 120.300 0.040 0.000 2.300 199 Y HA 0.458 5.008 4.550 -0.000 0.000 0.328 199 Y C -0.102 175.917 175.900 0.199 0.000 1.270 199 Y CA 0.846 58.992 58.100 0.077 0.000 1.352 199 Y CB 0.859 39.339 38.460 0.034 0.000 1.286 199 Y HN 0.640 nan 8.280 nan 0.000 0.536 200 Y N 1.309 121.762 120.300 0.256 0.000 2.345 200 Y HA 0.489 5.039 4.550 -0.000 0.000 0.331 200 Y C -0.976 175.050 175.900 0.210 0.000 0.959 200 Y CA -1.163 57.117 58.100 0.300 0.000 1.204 200 Y CB 0.745 39.411 38.460 0.344 0.000 1.135 200 Y HN 0.307 nan 8.280 nan 0.000 0.477 201 V N 8.233 128.018 119.914 -0.215 0.000 2.313 201 V HA 0.129 4.249 4.120 -0.000 0.000 0.252 201 V C 0.369 176.151 176.094 -0.521 0.000 1.112 201 V CA -0.268 61.833 62.300 -0.331 0.000 0.984 201 V CB -0.102 31.507 31.823 -0.356 0.000 1.157 201 V HN 0.647 nan 8.190 nan 0.000 0.493 202 V N 5.171 124.887 119.914 -0.329 0.000 3.336 202 V HA 0.405 4.525 4.120 -0.000 0.000 0.304 202 V C -0.695 175.122 176.094 -0.461 0.000 1.073 202 V CA -0.299 61.872 62.300 -0.214 0.000 1.074 202 V CB 1.803 33.664 31.823 0.064 0.000 1.161 202 V HN 0.710 nan 8.190 nan 0.000 0.460 203 Y N 2.569 122.857 120.300 -0.020 0.000 2.349 203 Y HA 0.502 5.052 4.550 -0.000 0.000 0.324 203 Y C 0.451 176.324 175.900 -0.044 0.000 1.005 203 Y CA -0.768 57.305 58.100 -0.045 0.000 1.240 203 Y CB 0.986 39.404 38.460 -0.069 0.000 1.117 203 Y HN 0.439 nan 8.280 nan 0.000 0.463 204 R N 1.543 122.085 120.500 0.069 0.000 2.679 204 R HA 0.669 5.009 4.340 -0.000 0.000 0.269 204 R C -0.092 176.181 176.300 -0.045 0.000 1.076 204 R CA -0.386 55.709 56.100 -0.008 0.000 1.160 204 R CB 0.850 31.145 30.300 -0.008 0.000 1.054 204 R HN 0.701 nan 8.270 nan 0.000 0.507 205 A N 1.235 123.965 122.820 -0.150 0.000 2.303 205 A HA 0.260 4.580 4.320 -0.000 0.000 0.317 205 A C -0.450 177.055 177.584 -0.132 0.000 1.149 205 A CA -0.429 51.525 52.037 -0.139 0.000 0.822 205 A CB 1.047 19.936 19.000 -0.186 0.000 1.131 205 A HN 0.643 nan 8.150 nan 0.000 0.493 206 Q N 1.412 121.144 119.800 -0.114 0.000 2.394 206 Q HA 0.313 4.652 4.340 -0.000 0.000 0.261 206 Q C 0.139 176.040 176.000 -0.164 0.000 1.023 206 Q CA -0.055 55.678 55.803 -0.117 0.000 0.720 206 Q CB 1.073 29.753 28.738 -0.096 0.000 1.241 206 Q HN 0.866 nan 8.270 nan 0.000 0.483 207 S N 1.035 116.653 115.700 -0.137 0.000 2.603 207 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 207 S C 0.524 175.013 174.600 -0.185 0.000 0.967 207 S CA 0.364 58.472 58.200 -0.153 0.000 0.920 207 S CB 0.010 63.196 63.200 -0.023 0.000 0.773 207 S HN 0.579 nan 8.310 nan 0.000 0.529 208 T N -0.385 114.080 114.554 -0.149 0.000 3.741 208 T HA 0.361 4.711 4.350 -0.000 0.000 0.242 208 T C -0.808 173.871 174.700 -0.036 0.000 1.042 208 T CA -0.734 61.350 62.100 -0.028 0.000 1.278 208 T CB 0.301 69.190 68.868 0.034 0.000 0.994 208 T HN 0.057 nan 8.240 nan 0.000 0.594 209 D N 1.785 122.109 120.400 -0.127 0.000 2.398 209 D HA 0.598 5.238 4.640 -0.000 0.000 0.247 209 D C 0.524 176.874 176.300 0.084 0.000 1.227 209 D CA -0.396 53.580 54.000 -0.040 0.000 0.980 209 D CB 1.104 41.850 40.800 -0.089 0.000 1.106 209 D HN 0.552 nan 8.370 nan 0.000 0.493 210 A N 0.911 123.753 122.820 0.036 0.000 2.462 210 A HA 0.470 4.790 4.320 -0.000 0.000 0.243 210 A C -0.060 177.530 177.584 0.010 0.000 1.076 210 A CA 0.134 52.192 52.037 0.036 0.000 0.773 210 A CB -0.050 18.954 19.000 0.007 0.000 1.010 210 A HN 0.483 nan 8.150 nan 0.000 0.493 211 I N 1.312 121.899 120.570 0.029 0.000 2.686 211 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 211 I C -0.080 176.085 176.117 0.079 0.000 1.114 211 I CA -0.520 60.756 61.300 -0.039 0.000 1.038 211 I CB 2.808 40.741 38.000 -0.111 0.000 1.238 211 I HN 0.766 nan 8.210 nan 0.000 0.420 212 T N 2.449 117.030 114.554 0.045 0.000 2.916 212 T HA 0.661 5.011 4.350 -0.000 0.000 0.292 212 T C -0.971 173.773 174.700 0.074 0.000 1.055 212 T CA -0.769 61.391 62.100 0.100 0.000 1.009 212 T CB 2.428 71.331 68.868 0.059 0.000 1.118 212 T HN 0.333 nan 8.240 nan 0.000 0.497 213 L N 2.091 123.334 121.223 0.033 0.000 2.337 213 L HA 0.443 4.782 4.340 -0.000 0.000 0.269 213 L C -0.506 176.312 176.870 -0.087 0.000 1.018 213 L CA -0.558 54.203 54.840 -0.132 0.000 0.876 213 L CB 0.443 42.335 42.059 -0.279 0.000 1.236 213 L HN 0.769 nan 8.230 nan 0.000 0.436 214 D N 6.334 126.683 120.400 -0.085 0.000 2.451 214 D HA 0.047 4.687 4.640 -0.000 0.000 0.254 214 D C -1.693 174.567 176.300 -0.067 0.000 1.204 214 D CA -1.063 52.905 54.000 -0.053 0.000 0.896 214 D CB 1.779 42.553 40.800 -0.043 0.000 1.136 214 D HN 0.391 nan 8.370 nan 0.000 0.499 215 P HA -0.147 nan 4.420 nan 0.000 0.217 215 P C 1.298 178.576 177.300 -0.037 0.000 1.150 215 P CA 1.071 64.151 63.100 -0.033 0.000 0.832 215 P CB 0.363 32.057 31.700 -0.009 0.000 0.787 216 K N -0.358 120.025 120.400 -0.029 0.000 1.971 216 K HA -0.109 4.211 4.320 -0.000 0.000 0.221 216 K C 2.070 178.647 176.600 -0.039 0.000 1.050 216 K CA 2.060 58.330 56.287 -0.027 0.000 0.967 216 K CB -1.928 30.561 32.500 -0.019 0.000 0.733 216 K HN 0.181 nan 8.250 nan 0.000 0.445 217 T N -0.430 114.097 114.554 -0.046 0.000 2.746 217 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 217 T C 1.562 176.212 174.700 -0.084 0.000 1.039 217 T CA 1.778 63.845 62.100 -0.054 0.000 1.142 217 T CB -0.563 68.277 68.868 -0.047 0.000 0.866 217 T HN 0.593 nan 8.240 nan 0.000 0.444 218 G N 1.264 109.990 108.800 -0.122 0.000 2.220 218 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.269 218 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.269 218 G C 0.244 174.984 174.900 -0.267 0.000 0.977 218 G CA 0.466 45.461 45.100 -0.175 0.000 0.634 218 G HN 0.440 nan 8.290 nan 0.000 0.539 219 K N -0.338 119.936 120.400 -0.209 0.000 2.106 219 K HA 0.686 5.006 4.320 -0.000 0.000 0.246 219 K C 0.044 176.503 176.600 -0.234 0.000 0.987 219 K CA -0.885 55.283 56.287 -0.198 0.000 0.904 219 K CB 0.598 33.068 32.500 -0.050 0.000 1.071 219 K HN 0.031 nan 8.250 nan 0.000 0.453 220 F N 0.068 120.022 119.950 0.007 0.000 2.371 220 F HA 0.255 4.782 4.527 -0.000 0.000 0.329 220 F C 0.458 176.355 175.800 0.161 0.000 1.107 220 F CA -0.553 57.472 58.000 0.041 0.000 1.137 220 F CB 0.940 39.999 39.000 0.099 0.000 1.214 220 F HN -0.069 nan 8.300 nan 0.000 0.536 221 V N 2.148 122.200 119.914 0.231 0.000 2.488 221 V HA 0.236 4.356 4.120 -0.000 0.000 0.293 221 V C -0.538 175.354 176.094 -0.337 0.000 1.027 221 V CA -1.042 61.248 62.300 -0.017 0.000 0.862 221 V CB 1.486 33.304 31.823 -0.007 0.000 1.008 221 V HN 0.842 nan 8.190 nan 0.000 0.428 222 S N 4.063 119.262 115.700 -0.834 0.000 2.572 222 S HA 0.310 4.780 4.470 -0.000 0.000 0.279 222 S C -0.068 174.334 174.600 -0.330 0.000 1.341 222 S CA -0.402 57.289 58.200 -0.848 0.000 1.043 222 S CB 0.713 63.264 63.200 -1.081 0.000 0.887 222 S HN 0.732 nan 8.310 nan 0.000 0.516 223 K N 1.106 121.385 120.400 -0.202 0.000 2.368 223 K HA 0.070 4.390 4.320 -0.000 0.000 0.282 223 K C -0.808 175.742 176.600 -0.082 0.000 1.035 223 K CA -0.326 55.900 56.287 -0.102 0.000 0.973 223 K CB 0.151 32.616 32.500 -0.059 0.000 0.957 223 K HN 0.595 nan 8.250 nan 0.000 0.474 224 D N 3.177 123.544 120.400 -0.055 0.000 2.389 224 D HA 0.114 4.754 4.640 -0.000 0.000 0.247 224 D C -0.415 175.862 176.300 -0.038 0.000 1.128 224 D CA 0.358 54.336 54.000 -0.036 0.000 0.884 224 D CB 0.662 41.451 40.800 -0.017 0.000 1.194 224 D HN 0.296 nan 8.370 nan 0.000 0.441 225 R N 3.144 123.617 120.500 -0.045 0.000 2.422 225 R HA 0.276 4.616 4.340 -0.000 0.000 0.307 225 R C -0.167 176.072 176.300 -0.100 0.000 1.004 225 R CA -0.716 55.347 56.100 -0.062 0.000 0.882 225 R CB 1.128 31.393 30.300 -0.057 0.000 1.164 225 R HN 0.401 nan 8.270 nan 0.000 0.489 226 M N 2.379 121.910 119.600 -0.115 0.000 2.226 226 M HA 0.333 4.813 4.480 -0.000 0.000 0.324 226 M C 0.650 176.789 176.300 -0.268 0.000 1.112 226 M CA -0.338 54.850 55.300 -0.188 0.000 1.176 226 M CB 0.708 33.220 32.600 -0.147 0.000 1.430 226 M HN 0.357 nan 8.290 nan 0.000 0.462 227 V N -1.570 118.080 119.914 -0.440 0.000 3.232 227 V HA 0.948 5.068 4.120 -0.000 0.000 0.303 227 V C -1.027 174.758 176.094 -0.515 0.000 1.311 227 V CA -1.397 60.641 62.300 -0.437 0.000 1.061 227 V CB 1.480 33.046 31.823 -0.429 0.000 1.085 227 V HN 0.963 nan 8.190 nan 0.000 0.447 228 A N 1.614 124.254 122.820 -0.300 0.000 2.288 228 A HA 0.735 5.055 4.320 -0.000 0.000 0.320 228 A C -0.222 177.413 177.584 0.084 0.000 1.217 228 A CA -0.412 51.497 52.037 -0.214 0.000 0.840 228 A CB 0.397 19.275 19.000 -0.203 0.000 1.179 228 A HN 1.105 nan 8.150 nan 0.000 0.504 229 D N 1.813 122.327 120.400 0.191 0.000 2.357 229 D HA -0.025 4.615 4.640 -0.000 0.000 0.242 229 D C 0.951 177.215 176.300 -0.059 0.000 1.153 229 D CA -0.463 53.670 54.000 0.222 0.000 0.918 229 D CB 0.398 41.374 40.800 0.293 0.000 1.181 229 D HN 0.433 nan 8.370 nan 0.000 0.435 230 F N 0.906 120.452 119.950 -0.673 0.000 2.082 230 F HA -0.320 4.207 4.527 -0.000 0.000 0.298 230 F C 2.038 177.576 175.800 -0.436 0.000 1.091 230 F CA 2.047 59.394 58.000 -1.088 0.000 1.230 230 F CB 0.044 38.254 39.000 -1.317 0.000 0.983 230 F HN 0.316 nan 8.300 nan 0.000 0.485 231 E N -0.514 119.549 120.200 -0.228 0.000 2.058 231 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 231 E C 2.125 178.600 176.600 -0.208 0.000 0.997 231 E CA 1.808 58.066 56.400 -0.237 0.000 0.801 231 E CB -0.949 28.735 29.700 -0.027 0.000 0.746 231 E HN 0.691 nan 8.360 nan 0.000 0.450 232 Y N 0.887 121.079 120.300 -0.179 0.000 2.165 232 Y HA -0.299 4.251 4.550 -0.000 0.000 0.286 232 Y C 2.303 178.105 175.900 -0.163 0.000 1.155 232 Y CA 1.830 59.857 58.100 -0.121 0.000 1.164 232 Y CB -0.066 38.367 38.460 -0.045 0.000 0.978 232 Y HN 0.059 nan 8.280 nan 0.000 0.513 233 A N -0.640 122.210 122.820 0.050 0.000 1.897 233 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 233 A C 2.148 179.648 177.584 -0.140 0.000 1.181 233 A CA 1.817 53.863 52.037 0.014 0.000 0.620 233 A CB -1.351 17.691 19.000 0.070 0.000 0.821 233 A HN 0.415 nan 8.150 nan 0.000 0.443 234 V N -1.751 117.925 119.914 -0.398 0.000 2.759 234 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 234 V C 1.946 177.902 176.094 -0.229 0.000 1.080 234 V CA 2.006 64.079 62.300 -0.378 0.000 1.101 234 V CB -1.711 29.717 31.823 -0.658 0.000 0.698 234 V HN 0.687 nan 8.190 nan 0.000 0.477 235 T N -3.246 111.176 114.554 -0.221 0.000 3.174 235 T HA 0.465 4.815 4.350 -0.000 0.000 0.269 235 T C 1.541 176.140 174.700 -0.168 0.000 1.017 235 T CA 0.472 62.465 62.100 -0.180 0.000 0.899 235 T CB 0.110 68.859 68.868 -0.197 0.000 1.077 235 T HN 1.257 nan 8.240 nan 0.000 0.552 236 G N 0.909 109.640 108.800 -0.116 0.000 2.225 236 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.272 236 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.272 236 G C 1.066 175.869 174.900 -0.162 0.000 0.996 236 G CA 0.581 45.640 45.100 -0.069 0.000 0.710 236 G HN 1.889 nan 8.290 nan 0.000 0.522 237 G N -2.007 106.512 108.800 -0.468 0.000 2.205 237 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.180 237 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.180 237 G C 0.808 175.339 174.900 -0.617 0.000 1.004 237 G CA 0.987 45.507 45.100 -0.967 0.000 0.670 237 G HN 0.489 nan 8.290 nan 0.000 0.496 238 E N 0.559 120.540 120.200 -0.366 0.000 1.998 238 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 238 E C 1.707 178.171 176.600 -0.226 0.000 1.003 238 E CA 1.284 57.546 56.400 -0.230 0.000 0.829 238 E CB -0.179 29.428 29.700 -0.155 0.000 0.777 238 E HN 0.628 nan 8.360 nan 0.000 0.460 239 Q N -0.835 118.840 119.800 -0.208 0.000 2.315 239 Q HA 0.475 4.815 4.340 -0.000 0.000 0.166 239 Q C 0.287 176.182 176.000 -0.175 0.000 1.056 239 Q CA 0.395 56.109 55.803 -0.150 0.000 1.061 239 Q CB 0.072 28.750 28.738 -0.099 0.000 1.981 239 Q HN 0.412 nan 8.270 nan 0.000 0.530 240 G N -0.169 108.597 108.800 -0.056 0.000 2.880 240 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.617 240 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.617 240 G C -0.537 174.479 174.900 0.195 0.000 1.493 240 G CA -0.124 45.015 45.100 0.065 0.000 0.916 240 G HN 1.003 nan 8.290 nan 0.000 0.553 241 S N -1.173 114.729 115.700 0.336 0.000 2.600 241 S HA 0.759 5.229 4.470 -0.000 0.000 0.300 241 S C -0.615 174.222 174.600 0.395 0.000 1.087 241 S CA -0.642 57.787 58.200 0.382 0.000 0.965 241 S CB 2.340 65.681 63.200 0.234 0.000 1.089 241 S HN 1.720 nan 8.310 nan 0.000 0.496 242 L N 3.174 124.540 121.223 0.239 0.000 2.337 242 L HA 0.640 4.980 4.340 -0.000 0.000 0.269 242 L C -1.184 175.714 176.870 0.047 0.000 1.018 242 L CA -0.609 54.172 54.840 -0.099 0.000 0.876 242 L CB 0.065 41.959 42.059 -0.274 0.000 1.236 242 L HN 0.768 nan 8.230 nan 0.000 0.436 243 F N 3.128 123.045 119.950 -0.055 0.000 2.613 243 F HA 0.962 5.489 4.527 -0.000 0.000 0.342 243 F C 0.055 175.839 175.800 -0.026 0.000 1.066 243 F CA -1.170 56.817 58.000 -0.022 0.000 1.002 243 F CB 0.635 39.634 39.000 -0.001 0.000 1.319 243 F HN 0.364 nan 8.300 nan 0.000 0.495 244 A N 0.996 123.892 122.820 0.127 0.000 2.327 244 A HA 0.753 5.073 4.320 -0.000 0.000 0.283 244 A C -0.098 177.547 177.584 0.102 0.000 1.127 244 A CA -0.177 51.872 52.037 0.020 0.000 0.810 244 A CB -0.114 18.918 19.000 0.053 0.000 1.066 244 A HN 1.342 nan 8.150 nan 0.000 0.492 245 A N 1.267 124.078 122.820 -0.014 0.000 2.286 245 A HA 0.606 4.926 4.320 -0.000 0.000 0.286 245 A C 0.591 178.229 177.584 0.090 0.000 1.097 245 A CA -0.045 52.025 52.037 0.056 0.000 0.821 245 A CB 0.424 19.408 19.000 -0.027 0.000 1.076 245 A HN 1.244 nan 8.150 nan 0.000 0.490 246 S N -0.128 115.640 115.700 0.113 0.000 2.411 246 S HA 0.228 4.698 4.470 -0.000 0.000 0.294 246 S C 0.707 175.379 174.600 0.120 0.000 1.115 246 S CA -0.527 57.739 58.200 0.110 0.000 1.071 246 S CB 0.008 63.270 63.200 0.104 0.000 0.967 246 S HN 0.590 nan 8.310 nan 0.000 0.488 247 K N 2.500 122.983 120.400 0.139 0.000 2.426 247 K HA 0.026 4.345 4.320 -0.000 0.000 0.193 247 K C 0.292 177.066 176.600 0.290 0.000 1.028 247 K CA -0.082 56.327 56.287 0.204 0.000 1.047 247 K CB 0.036 32.643 32.500 0.179 0.000 0.821 247 K HN 0.614 nan 8.250 nan 0.000 0.513 248 D N 1.385 121.929 120.400 0.239 0.000 2.570 248 D HA -0.103 4.537 4.640 -0.000 0.000 0.243 248 D C 0.299 176.679 176.300 0.133 0.000 1.171 248 D CA 0.161 54.283 54.000 0.203 0.000 0.879 248 D CB 0.870 41.751 40.800 0.134 0.000 1.143 248 D HN 0.202 nan 8.370 nan 0.000 0.511 249 A N 3.336 126.206 122.820 0.083 0.000 2.307 249 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 249 A C 2.069 179.642 177.584 -0.018 0.000 1.228 249 A CA -0.082 51.977 52.037 0.037 0.000 0.857 249 A CB 0.198 19.212 19.000 0.024 0.000 0.897 249 A HN 0.508 nan 8.150 nan 0.000 0.495 250 S N 0.907 116.602 115.700 -0.009 0.000 2.383 250 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 250 S C 2.046 176.632 174.600 -0.023 0.000 1.026 250 S CA 1.391 59.576 58.200 -0.025 0.000 0.981 250 S CB -0.323 62.868 63.200 -0.014 0.000 0.818 250 S HN 0.880 nan 8.310 nan 0.000 0.472 251 R N 1.573 122.071 120.500 -0.003 0.000 2.261 251 R HA -0.029 4.311 4.340 -0.000 0.000 0.236 251 R C 1.818 178.119 176.300 0.002 0.000 1.141 251 R CA 1.069 57.171 56.100 0.002 0.000 1.001 251 R CB -0.813 29.501 30.300 0.024 0.000 0.866 251 R HN 0.322 nan 8.270 nan 0.000 0.468 252 L N 0.732 121.932 121.223 -0.038 0.000 2.083 252 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 252 L C 2.637 179.482 176.870 -0.042 0.000 1.083 252 L CA 1.621 56.399 54.840 -0.104 0.000 0.752 252 L CB -0.361 41.525 42.059 -0.288 0.000 0.899 252 L HN 0.237 nan 8.230 nan 0.000 0.433 253 K N 0.757 121.126 120.400 -0.052 0.000 1.984 253 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 253 K C 1.786 178.368 176.600 -0.031 0.000 1.046 253 K CA 1.577 57.840 56.287 -0.040 0.000 0.934 253 K CB -0.219 32.253 32.500 -0.047 0.000 0.717 253 K HN 0.214 nan 8.250 nan 0.000 0.438 254 E N 0.289 120.467 120.200 -0.037 0.000 2.068 254 E HA -0.316 4.034 4.350 -0.000 0.000 0.207 254 E C 2.345 178.896 176.600 -0.082 0.000 1.032 254 E CA 2.178 58.549 56.400 -0.049 0.000 0.839 254 E CB -0.210 29.463 29.700 -0.045 0.000 0.758 254 E HN 0.450 nan 8.360 nan 0.000 0.457 255 Q N -0.537 119.194 119.800 -0.115 0.000 1.969 255 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 255 Q C 1.560 177.330 176.000 -0.384 0.000 0.978 255 Q CA 1.465 57.083 55.803 -0.310 0.000 0.830 255 Q CB -0.031 28.426 28.738 -0.469 0.000 0.896 255 Q HN 0.403 nan 8.270 nan 0.000 0.431 256 Y N -1.207 119.071 120.300 -0.036 0.000 2.485 256 Y HA 0.307 4.857 4.550 -0.000 0.000 0.260 256 Y C 1.303 177.188 175.900 -0.026 0.000 1.173 256 Y CA 0.169 58.262 58.100 -0.012 0.000 1.252 256 Y CB 0.737 39.198 38.460 0.002 0.000 1.123 256 Y HN 0.285 nan 8.280 nan 0.000 0.524 257 G N 1.093 109.926 108.800 0.055 0.000 2.175 257 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.265 257 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.265 257 G C 0.365 175.273 174.900 0.013 0.000 0.979 257 G CA 0.364 45.476 45.100 0.020 0.000 0.663 257 G HN 0.386 nan 8.290 nan 0.000 0.533 258 I N 0.489 121.070 120.570 0.018 0.000 2.892 258 I HA 0.123 4.293 4.170 -0.000 0.000 0.287 258 I C 0.699 176.780 176.117 -0.059 0.000 1.205 258 I CA -0.096 61.190 61.300 -0.023 0.000 1.409 258 I CB 0.318 38.275 38.000 -0.072 0.000 1.367 258 I HN 0.037 nan 8.210 nan 0.000 0.597 259 D N 3.913 124.270 120.400 -0.072 0.000 2.348 259 D HA 0.261 4.901 4.640 -0.000 0.000 0.253 259 D C -0.883 175.330 176.300 -0.145 0.000 1.161 259 D CA 0.119 54.059 54.000 -0.100 0.000 0.876 259 D CB 0.897 41.634 40.800 -0.105 0.000 1.160 259 D HN 0.075 nan 8.370 nan 0.000 0.459 260 V N 6.142 125.971 119.914 -0.143 0.000 2.284 260 V HA 0.313 4.433 4.120 -0.000 0.000 0.274 260 V C -1.767 174.218 176.094 -0.182 0.000 1.023 260 V CA -1.386 60.811 62.300 -0.172 0.000 0.808 260 V CB 0.821 32.570 31.823 -0.123 0.000 1.035 260 V HN 0.600 nan 8.190 nan 0.000 0.445 261 P HA 0.143 nan 4.420 nan 0.000 0.272 261 P C -0.453 176.804 177.300 -0.072 0.000 1.254 261 P CA -0.394 62.576 63.100 -0.217 0.000 0.795 261 P CB 0.482 31.932 31.700 -0.416 0.000 1.022 262 D N -0.522 119.886 120.400 0.013 0.000 2.371 262 D HA 0.380 5.020 4.640 -0.000 0.000 0.256 262 D C 1.036 177.462 176.300 0.209 0.000 1.193 262 D CA 1.361 55.406 54.000 0.075 0.000 0.881 262 D CB -0.327 40.520 40.800 0.079 0.000 1.143 262 D HN 0.624 nan 8.370 nan 0.000 0.473 263 G N 2.502 111.354 108.800 0.086 0.000 2.140 263 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.211 263 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.211 263 G C -0.251 174.334 174.900 -0.525 0.000 1.013 263 G CA -0.504 44.589 45.100 -0.012 0.000 0.705 263 G HN 0.356 nan 8.290 nan 0.000 0.508 264 F N -0.532 118.965 119.950 -0.755 0.000 2.508 264 F HA 0.867 5.394 4.527 0.000 0.000 0.325 264 F C 0.256 175.561 175.800 -0.824 0.000 1.090 264 F CA -1.284 56.344 58.000 -0.621 0.000 0.945 264 F CB 1.518 40.337 39.000 -0.301 0.000 1.156 264 F HN 0.002 nan 8.300 nan 0.000 0.463 265 F N 0.050 120.003 119.950 0.005 0.000 2.640 265 F HA 0.576 5.103 4.527 -0.000 0.000 0.324 265 F C -0.266 175.666 175.800 0.220 0.000 1.077 265 F CA -1.218 56.836 58.000 0.089 0.000 0.965 265 F CB 0.748 39.775 39.000 0.044 0.000 1.351 265 F HN 0.260 nan 8.300 nan 0.000 0.487 266 C N 1.227 120.777 119.300 0.416 0.000 2.604 266 C HA 0.368 4.828 4.460 -0.000 0.000 0.396 266 C C 0.130 175.312 174.990 0.319 0.000 1.282 266 C CA -0.784 58.437 59.018 0.339 0.000 2.292 266 C CB -0.198 27.700 27.740 0.263 0.000 2.633 266 C HN 0.779 nan 8.230 nan 0.000 0.620 267 E N 1.987 122.300 120.200 0.187 0.000 2.313 267 E HA 0.328 4.678 4.350 -0.000 0.000 0.272 267 E C -0.170 176.407 176.600 -0.038 0.000 1.038 267 E CA -0.679 55.705 56.400 -0.026 0.000 0.863 267 E CB 0.903 30.560 29.700 -0.073 0.000 1.060 267 E HN 0.598 nan 8.360 nan 0.000 0.402 268 R N 1.971 122.402 120.500 -0.116 0.000 2.623 268 R HA 0.060 4.400 4.340 -0.000 0.000 0.271 268 R C -0.497 175.770 176.300 -0.056 0.000 1.043 268 R CA -0.097 55.961 56.100 -0.071 0.000 1.083 268 R CB 0.571 30.818 30.300 -0.089 0.000 0.974 268 R HN 0.541 nan 8.270 nan 0.000 0.436 269 R N 4.672 125.155 120.500 -0.029 0.000 2.388 269 R HA 0.260 4.600 4.340 -0.000 0.000 0.314 269 R C -0.530 175.798 176.300 0.047 0.000 0.959 269 R CA -0.724 55.377 56.100 0.002 0.000 0.851 269 R CB 1.725 32.017 30.300 -0.013 0.000 1.168 269 R HN 0.645 nan 8.270 nan 0.000 0.472 270 R N 0.594 121.125 120.500 0.052 0.000 2.459 270 R HA 0.173 4.513 4.340 -0.000 0.000 0.281 270 R C 0.593 176.965 176.300 0.120 0.000 1.050 270 R CA -0.333 55.803 56.100 0.061 0.000 1.055 270 R CB 0.928 31.234 30.300 0.010 0.000 1.045 270 R HN 0.487 nan 8.270 nan 0.000 0.495 271 T N -0.778 113.825 114.554 0.082 0.000 2.907 271 T HA 0.523 4.873 4.350 -0.000 0.000 0.298 271 T C -0.109 174.508 174.700 -0.138 0.000 1.017 271 T CA -0.694 61.351 62.100 -0.091 0.000 1.118 271 T CB 1.292 70.085 68.868 -0.124 0.000 0.948 271 T HN 0.626 nan 8.240 nan 0.000 0.531 272 A N 4.354 127.042 122.820 -0.220 0.000 2.414 272 A HA 0.760 5.080 4.320 -0.000 0.000 0.306 272 A C -0.389 177.124 177.584 -0.118 0.000 1.054 272 A CA -1.091 50.877 52.037 -0.115 0.000 0.724 272 A CB 1.419 20.396 19.000 -0.037 0.000 1.267 272 A HN 0.912 nan 8.150 nan 0.000 0.418 273 M N 1.307 120.870 119.600 -0.061 0.000 2.508 273 M HA 0.567 5.046 4.480 -0.000 0.000 0.327 273 M C 0.393 176.791 176.300 0.163 0.000 1.160 273 M CA -0.240 55.070 55.300 0.016 0.000 0.980 273 M CB 2.420 34.946 32.600 -0.123 0.000 1.693 273 M HN 0.804 nan 8.290 nan 0.000 0.452 274 G N 0.893 109.875 108.800 0.305 0.000 2.605 274 G HA2 0.601 4.561 3.960 -0.000 0.000 0.304 274 G HA3 0.601 4.561 3.960 -0.000 0.000 0.304 274 G C -0.307 174.754 174.900 0.268 0.000 1.333 274 G CA -0.610 44.664 45.100 0.290 0.000 0.973 274 G HN 0.895 nan 8.290 nan 0.000 0.507 275 G N 2.180 111.116 108.800 0.225 0.000 2.539 275 G HA2 0.516 4.476 3.960 -0.000 0.000 0.258 275 G HA3 0.516 4.476 3.960 -0.000 0.000 0.258 275 G C -2.551 172.260 174.900 -0.149 0.000 1.202 275 G CA -1.146 43.895 45.100 -0.098 0.000 0.851 275 G HN 0.398 nan 8.290 nan 0.000 0.556 276 P HA 0.041 nan 4.420 nan 0.000 0.264 276 P C 0.336 177.596 177.300 -0.066 0.000 1.229 276 P CA -0.348 62.644 63.100 -0.181 0.000 0.780 276 P CB 0.435 32.025 31.700 -0.184 0.000 0.808 277 F N 4.951 124.809 119.950 -0.152 0.000 2.154 277 F HA -0.262 4.265 4.527 -0.000 0.000 0.301 277 F C 2.110 177.879 175.800 -0.052 0.000 1.087 277 F CA 1.995 59.945 58.000 -0.083 0.000 1.274 277 F CB -0.528 38.431 39.000 -0.069 0.000 1.009 277 F HN 0.341 nan 8.300 nan 0.000 0.485 278 A N -0.504 122.320 122.820 0.008 0.000 2.131 278 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 278 A C 1.990 179.517 177.584 -0.094 0.000 1.158 278 A CA 1.719 53.732 52.037 -0.040 0.000 0.665 278 A CB -0.886 18.123 19.000 0.015 0.000 0.795 278 A HN 0.506 nan 8.150 nan 0.000 0.460 279 L N -1.366 119.791 121.223 -0.109 0.000 2.463 279 L HA 0.242 4.582 4.340 -0.000 0.000 0.219 279 L C 1.400 178.203 176.870 -0.112 0.000 1.088 279 L CA 1.360 56.149 54.840 -0.085 0.000 0.849 279 L CB -0.259 41.750 42.059 -0.084 0.000 1.012 279 L HN 0.308 nan 8.230 nan 0.000 0.468 280 N N -0.328 118.257 118.700 -0.191 0.000 2.333 280 N HA 0.035 4.775 4.740 -0.000 0.000 0.178 280 N C 1.932 177.301 175.510 -0.236 0.000 1.018 280 N CA 0.867 53.812 53.050 -0.175 0.000 0.882 280 N CB -0.130 38.261 38.487 -0.160 0.000 0.984 280 N HN 0.423 nan 8.380 nan 0.000 0.434 281 A N 1.944 124.489 122.820 -0.458 0.000 1.869 281 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 281 A C -0.295 177.184 177.584 -0.174 0.000 1.203 281 A CA 1.720 53.504 52.037 -0.421 0.000 0.638 281 A CB -1.610 17.114 19.000 -0.459 0.000 0.831 281 A HN 0.205 nan 8.150 nan 0.000 0.450 282 P HA -0.029 nan 4.420 nan 0.000 0.221 282 P C 1.289 178.953 177.300 0.606 0.000 1.150 282 P CA 0.737 63.956 63.100 0.197 0.000 0.800 282 P CB -0.079 31.885 31.700 0.440 0.000 0.787 283 I N -1.883 118.915 120.570 0.381 0.000 2.406 283 I HA -0.107 4.063 4.170 -0.000 0.000 0.249 283 I C 2.226 178.592 176.117 0.415 0.000 1.122 283 I CA 1.275 62.877 61.300 0.502 0.000 1.431 283 I CB -0.433 37.721 38.000 0.258 0.000 1.087 283 I HN -0.077 nan 8.210 nan 0.000 0.424 284 M N 0.536 120.259 119.600 0.206 0.000 2.200 284 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 284 M C 2.435 178.829 176.300 0.157 0.000 1.066 284 M CA 1.597 56.984 55.300 0.144 0.000 1.127 284 M CB -0.380 32.248 32.600 0.047 0.000 1.379 284 M HN 0.220 nan 8.290 nan 0.000 0.420 285 A N -0.359 122.557 122.820 0.161 0.000 2.186 285 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 285 A C 1.965 179.674 177.584 0.207 0.000 1.159 285 A CA 1.490 53.626 52.037 0.166 0.000 0.680 285 A CB -0.594 18.486 19.000 0.134 0.000 0.787 285 A HN 0.366 nan 8.150 nan 0.000 0.467 286 V N -2.105 117.957 119.914 0.247 0.000 3.151 286 V HA 0.134 4.254 4.120 -0.000 0.000 0.241 286 V C 2.663 178.831 176.094 0.123 0.000 1.173 286 V CA 0.857 63.239 62.300 0.137 0.000 1.154 286 V CB -0.624 31.236 31.823 0.062 0.000 0.898 286 V HN 0.451 nan 8.190 nan 0.000 0.473 287 A N 0.119 123.061 122.820 0.203 0.000 1.969 287 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 287 A C 2.118 179.717 177.584 0.024 0.000 1.169 287 A CA 2.091 54.205 52.037 0.128 0.000 0.635 287 A CB -0.389 18.730 19.000 0.198 0.000 0.810 287 A HN 0.473 nan 8.150 nan 0.000 0.445 288 Q N 0.327 120.158 119.800 0.052 0.000 2.046 288 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 288 Q C -0.756 175.239 176.000 -0.008 0.000 0.975 288 Q CA 2.104 57.927 55.803 0.032 0.000 0.836 288 Q CB -1.371 27.403 28.738 0.060 0.000 0.896 288 Q HN 0.429 nan 8.270 nan 0.000 0.428 289 P HA -0.138 nan 4.420 nan 0.000 0.215 289 P C 1.403 178.643 177.300 -0.101 0.000 1.153 289 P CA 1.293 64.369 63.100 -0.040 0.000 0.853 289 P CB -0.100 31.581 31.700 -0.031 0.000 0.788 290 V N -0.066 119.749 119.914 -0.166 0.000 2.287 290 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 290 V C 2.532 178.439 176.094 -0.312 0.000 1.053 290 V CA 1.887 64.001 62.300 -0.309 0.000 1.027 290 V CB -0.978 30.517 31.823 -0.547 0.000 0.646 290 V HN 0.077 nan 8.190 nan 0.000 0.447 291 R N -0.045 120.281 120.500 -0.289 0.000 2.096 291 R HA -0.200 4.140 4.340 -0.000 0.000 0.240 291 R C 2.286 178.402 176.300 -0.306 0.000 1.139 291 R CA 1.917 57.760 56.100 -0.428 0.000 0.952 291 R CB -0.529 29.637 30.300 -0.223 0.000 0.854 291 R HN 0.538 nan 8.270 nan 0.000 0.436 292 N N 0.878 119.522 118.700 -0.094 0.000 2.018 292 N HA -0.231 4.508 4.740 -0.000 0.000 0.196 292 N C 1.584 177.076 175.510 -0.031 0.000 1.043 292 N CA 1.474 54.521 53.050 -0.005 0.000 0.856 292 N CB -0.359 38.126 38.487 -0.003 0.000 1.042 292 N HN 0.219 nan 8.380 nan 0.000 0.423 293 K N 1.071 121.429 120.400 -0.070 0.000 2.044 293 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 293 K C 2.071 178.663 176.600 -0.013 0.000 1.049 293 K CA 1.655 57.917 56.287 -0.041 0.000 0.927 293 K CB -0.230 32.254 32.500 -0.027 0.000 0.713 293 K HN 0.430 nan 8.250 nan 0.000 0.443 294 I N -2.586 117.941 120.570 -0.072 0.000 2.584 294 I HA -0.098 4.072 4.170 -0.000 0.000 0.255 294 I C 1.269 177.457 176.117 0.117 0.000 1.145 294 I CA 0.704 62.022 61.300 0.030 0.000 1.462 294 I CB -0.390 37.461 38.000 -0.249 0.000 1.102 294 I HN -0.014 nan 8.210 nan 0.000 0.433 295 Y N 2.314 122.658 120.300 0.074 0.000 2.616 295 Y HA -0.042 4.508 4.550 -0.000 0.000 0.296 295 Y C 2.786 178.720 175.900 0.056 0.000 1.154 295 Y CA 0.317 58.498 58.100 0.135 0.000 1.325 295 Y CB -0.705 37.863 38.460 0.180 0.000 1.007 295 Y HN 0.511 nan 8.280 nan 0.000 0.542 296 S N -1.000 114.775 115.700 0.124 0.000 2.783 296 S HA 0.011 4.481 4.470 -0.000 0.000 0.205 296 S C 1.989 176.555 174.600 -0.057 0.000 0.910 296 S CA 0.259 58.455 58.200 -0.007 0.000 0.861 296 S CB -0.307 62.874 63.200 -0.032 0.000 0.830 296 S HN 0.186 nan 8.310 nan 0.000 0.630 297 K N 0.548 120.865 120.400 -0.138 0.000 2.009 297 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 297 K C 0.354 176.730 176.600 -0.373 0.000 1.049 297 K CA 1.518 57.598 56.287 -0.345 0.000 0.929 297 K CB -0.352 31.784 32.500 -0.607 0.000 0.714 297 K HN 0.540 nan 8.250 nan 0.000 0.440 298 Y N 0.056 120.407 120.300 0.085 0.000 2.933 298 Y HA 0.337 4.887 4.550 -0.000 0.000 0.380 298 Y C 1.027 176.937 175.900 0.017 0.000 1.056 298 Y CA -0.244 57.888 58.100 0.052 0.000 1.704 298 Y CB 0.050 38.559 38.460 0.082 0.000 1.558 298 Y HN 0.155 nan 8.280 nan 0.000 0.501 299 A N -0.708 122.186 122.820 0.124 0.000 2.066 299 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 299 A C 1.883 179.517 177.584 0.084 0.000 1.157 299 A CA 0.926 53.041 52.037 0.130 0.000 0.670 299 A CB -0.741 18.282 19.000 0.038 0.000 0.804 299 A HN 0.709 nan 8.150 nan 0.000 0.453 300 Y N 1.596 121.863 120.300 -0.055 0.000 2.128 300 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 300 Y C 2.754 178.624 175.900 -0.050 0.000 1.154 300 Y CA 2.584 60.648 58.100 -0.060 0.000 1.149 300 Y CB -0.153 38.231 38.460 -0.126 0.000 0.976 300 Y HN 0.420 nan 8.280 nan 0.000 0.505 301 T N -3.281 111.133 114.554 -0.233 0.000 3.057 301 T HA 0.053 4.403 4.350 -0.000 0.000 0.254 301 T C 1.295 175.811 174.700 -0.307 0.000 1.094 301 T CA 0.647 62.482 62.100 -0.441 0.000 1.088 301 T CB -0.655 67.751 68.868 -0.770 0.000 0.934 301 T HN 0.387 nan 8.240 nan 0.000 0.497 302 F N -0.327 119.594 119.950 -0.049 0.000 2.637 302 F HA 0.373 4.900 4.527 -0.000 0.000 0.284 302 F C 1.015 176.558 175.800 -0.427 0.000 1.105 302 F CA -1.001 56.931 58.000 -0.112 0.000 1.356 302 F CB 0.344 39.321 39.000 -0.038 0.000 1.096 302 F HN 0.208 nan 8.300 nan 0.000 0.616 303 H N 1.451 120.333 119.070 -0.313 0.000 2.705 303 H HA 0.252 4.808 4.556 -0.000 0.000 0.291 303 H C -0.972 174.056 175.328 -0.501 0.000 1.085 303 H CA -0.325 55.491 56.048 -0.386 0.000 1.357 303 H CB 0.010 29.705 29.762 -0.112 0.000 1.419 303 H HN -0.005 nan 8.280 nan 0.000 0.462 304 H N 3.955 122.883 119.070 -0.236 0.000 2.727 304 H HA 0.177 4.732 4.556 -0.000 0.000 0.330 304 H C 0.356 175.610 175.328 -0.123 0.000 0.986 304 H CA -0.245 55.744 56.048 -0.098 0.000 1.251 304 H CB 1.554 31.296 29.762 -0.034 0.000 1.493 304 H HN 0.830 nan 8.280 nan 0.000 0.515 305 T N -0.282 114.328 114.554 0.094 0.000 3.556 305 T HA 0.112 4.461 4.350 -0.000 0.000 0.204 305 T C 0.856 175.635 174.700 0.132 0.000 0.896 305 T CA 0.335 62.504 62.100 0.114 0.000 1.380 305 T CB -0.293 68.608 68.868 0.055 0.000 1.584 305 T HN 0.484 nan 8.240 nan 0.000 0.411 306 T N -0.075 114.503 114.554 0.039 0.000 2.902 306 T HA 0.497 4.847 4.350 -0.000 0.000 0.280 306 T C 0.947 175.631 174.700 -0.027 0.000 0.992 306 T CA -0.926 61.176 62.100 0.005 0.000 1.015 306 T CB 1.653 70.504 68.868 -0.029 0.000 1.044 306 T HN 0.344 nan 8.240 nan 0.000 0.520 307 R N -0.222 120.255 120.500 -0.038 0.000 2.152 307 R HA -0.016 4.323 4.340 -0.000 0.000 0.232 307 R C 1.848 178.149 176.300 0.002 0.000 1.117 307 R CA 0.580 56.645 56.100 -0.059 0.000 0.981 307 R CB -0.622 29.684 30.300 0.010 0.000 0.870 307 R HN 0.375 nan 8.270 nan 0.000 0.451 308 L N 1.514 122.741 121.223 0.007 0.000 1.976 308 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 308 L C 2.137 179.012 176.870 0.007 0.000 1.071 308 L CA 1.656 56.505 54.840 0.016 0.000 0.746 308 L CB -1.387 40.673 42.059 0.001 0.000 0.890 308 L HN 0.300 nan 8.230 nan 0.000 0.432 309 N N -0.162 118.537 118.700 -0.001 0.000 2.139 309 N HA -0.301 4.439 4.740 -0.000 0.000 0.199 309 N C 1.698 177.195 175.510 -0.021 0.000 1.003 309 N CA 1.982 55.037 53.050 0.008 0.000 0.892 309 N CB 0.125 38.637 38.487 0.041 0.000 1.039 309 N HN 0.453 nan 8.380 nan 0.000 0.461 310 K N 0.454 120.808 120.400 -0.076 0.000 2.020 310 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 310 K C 2.010 178.633 176.600 0.038 0.000 1.038 310 K CA 0.846 57.033 56.287 -0.166 0.000 0.947 310 K CB -0.354 31.765 32.500 -0.633 0.000 0.744 310 K HN 0.209 nan 8.250 nan 0.000 0.442 311 E N 1.654 122.012 120.200 0.262 0.000 2.187 311 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 311 E C 1.701 178.301 176.600 -0.000 0.000 1.004 311 E CA 1.502 58.044 56.400 0.236 0.000 0.813 311 E CB 0.128 29.935 29.700 0.178 0.000 0.736 311 E HN 0.271 nan 8.360 nan 0.000 0.468 312 E N 0.177 120.367 120.200 -0.017 0.000 2.007 312 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 312 E C 2.115 178.654 176.600 -0.102 0.000 0.999 312 E CA 1.587 57.962 56.400 -0.041 0.000 0.811 312 E CB 0.009 29.704 29.700 -0.008 0.000 0.762 312 E HN 0.192 nan 8.360 nan 0.000 0.450 313 K N 0.189 120.500 120.400 -0.147 0.000 2.113 313 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 313 K C 2.057 178.249 176.600 -0.681 0.000 1.047 313 K CA 1.416 57.562 56.287 -0.234 0.000 0.928 313 K CB -0.059 32.211 32.500 -0.383 0.000 0.716 313 K HN 0.028 nan 8.250 nan 0.000 0.446 314 V N 1.119 120.583 119.914 -0.750 0.000 2.649 314 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 314 V C 1.916 177.736 176.094 -0.456 0.000 1.054 314 V CA 1.191 62.877 62.300 -1.024 0.000 1.073 314 V CB -0.331 31.097 31.823 -0.658 0.000 0.699 314 V HN 0.219 nan 8.190 nan 0.000 0.463 315 K N 0.432 120.681 120.400 -0.253 0.000 2.089 315 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 315 K C 2.070 178.659 176.600 -0.018 0.000 1.048 315 K CA 2.133 58.359 56.287 -0.102 0.000 0.926 315 K CB -0.184 32.278 32.500 -0.064 0.000 0.714 315 K HN 0.574 nan 8.250 nan 0.000 0.448 316 E N -0.788 119.395 120.200 -0.028 0.000 2.274 316 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 316 E C 0.031 176.804 176.600 0.288 0.000 0.996 316 E CA 0.157 56.623 56.400 0.109 0.000 0.840 316 E CB 0.095 29.871 29.700 0.125 0.000 0.772 316 E HN 0.214 nan 8.360 nan 0.000 0.491 317 W N 0.632 121.989 121.300 0.096 0.000 2.150 317 W HA 0.082 4.742 4.660 -0.000 0.000 0.341 317 W C 1.360 177.960 176.519 0.135 0.000 1.276 317 W CA -0.753 56.664 57.345 0.120 0.000 1.238 317 W CB 0.536 30.067 29.460 0.119 0.000 1.128 317 W HN -0.158 nan 8.180 nan 0.000 0.581 318 S N 0.472 116.405 115.700 0.388 0.000 2.483 318 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 318 S C -0.008 174.760 174.600 0.280 0.000 1.030 318 S CA 0.011 58.384 58.200 0.288 0.000 0.925 318 S CB 0.191 63.536 63.200 0.241 0.000 0.795 318 S HN 0.268 nan 8.310 nan 0.000 0.511 319 L N 0.597 121.993 121.223 0.287 0.000 2.422 319 L HA 0.707 5.047 4.340 -0.000 0.000 0.264 319 L C -1.621 175.457 176.870 0.348 0.000 0.984 319 L CA -0.711 54.242 54.840 0.187 0.000 0.819 319 L CB 1.872 43.792 42.059 -0.231 0.000 1.330 319 L HN 0.124 nan 8.230 nan 0.000 0.410 320 C N 4.992 124.494 119.300 0.336 0.000 2.364 320 C HA 0.849 5.309 4.460 -0.000 0.000 0.324 320 C C -0.984 174.090 174.990 0.140 0.000 1.234 320 C CA -0.402 58.856 59.018 0.399 0.000 1.417 320 C CB 0.711 28.773 27.740 0.536 0.000 2.101 320 C HN 0.632 nan 8.230 nan 0.000 0.466 321 V N 6.241 126.185 119.914 0.051 0.000 2.350 321 V HA 0.616 4.736 4.120 -0.000 0.000 0.285 321 V C 0.603 176.672 176.094 -0.041 0.000 1.014 321 V CA -0.303 61.851 62.300 -0.243 0.000 0.831 321 V CB 1.259 32.879 31.823 -0.338 0.000 1.000 321 V HN 1.077 nan 8.190 nan 0.000 0.433 322 A N 4.084 126.923 122.820 0.031 0.000 2.347 322 A HA 0.638 4.958 4.320 -0.000 0.000 0.287 322 A C 0.757 178.397 177.584 0.093 0.000 1.199 322 A CA 0.111 52.205 52.037 0.094 0.000 0.851 322 A CB 0.211 19.312 19.000 0.169 0.000 1.118 322 A HN 0.938 nan 8.150 nan 0.000 0.525 323 T N -0.363 114.226 114.554 0.058 0.000 2.891 323 T HA 0.671 5.021 4.350 -0.000 0.000 0.294 323 T C -0.592 174.200 174.700 0.155 0.000 1.065 323 T CA -0.287 61.882 62.100 0.116 0.000 0.936 323 T CB 1.282 70.208 68.868 0.097 0.000 1.415 323 T HN 0.552 nan 8.240 nan 0.000 0.572 324 D N -1.143 119.382 120.400 0.209 0.000 2.746 324 D HA 0.365 5.005 4.640 -0.000 0.000 0.211 324 D C -1.745 174.684 176.300 0.214 0.000 1.242 324 D CA -0.442 53.669 54.000 0.185 0.000 0.790 324 D CB 1.895 42.762 40.800 0.113 0.000 1.744 324 D HN 0.534 nan 8.370 nan 0.000 0.520 325 V N 2.183 122.228 119.914 0.218 0.000 2.409 325 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 325 V C 0.518 176.737 176.094 0.208 0.000 1.020 325 V CA -0.920 61.514 62.300 0.224 0.000 0.848 325 V CB 1.502 33.498 31.823 0.287 0.000 0.990 325 V HN 0.617 nan 8.190 nan 0.000 0.430 326 S N 4.070 119.882 115.700 0.187 0.000 2.498 326 S HA 0.099 4.569 4.470 -0.000 0.000 0.281 326 S C 0.648 175.454 174.600 0.344 0.000 1.265 326 S CA 0.044 58.378 58.200 0.222 0.000 1.071 326 S CB -0.325 63.004 63.200 0.213 0.000 0.894 326 S HN 0.986 nan 8.310 nan 0.000 0.491 327 D N 3.095 123.656 120.400 0.267 0.000 2.704 327 D HA -0.253 4.387 4.640 -0.000 0.000 0.232 327 D C 0.851 177.359 176.300 0.347 0.000 1.183 327 D CA 1.091 55.236 54.000 0.241 0.000 0.647 327 D CB -1.418 39.467 40.800 0.142 0.000 1.013 327 D HN 0.953 nan 8.370 nan 0.000 0.415 328 H N 0.116 119.329 119.070 0.238 0.000 2.394 328 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 328 H C 1.097 176.573 175.328 0.248 0.000 1.113 328 H CA 2.099 58.299 56.048 0.254 0.000 1.277 328 H CB 0.430 30.303 29.762 0.185 0.000 1.370 328 H HN 0.347 nan 8.280 nan 0.000 0.506 329 D N -0.314 120.248 120.400 0.269 0.000 2.120 329 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 329 D C 2.307 178.629 176.300 0.038 0.000 0.972 329 D CA 2.274 56.369 54.000 0.158 0.000 0.837 329 D CB -0.571 40.304 40.800 0.124 0.000 0.989 329 D HN 0.597 nan 8.370 nan 0.000 0.469 330 T N -2.188 112.359 114.554 -0.012 0.000 3.051 330 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 330 T C 1.797 176.434 174.700 -0.104 0.000 1.127 330 T CA 0.606 62.647 62.100 -0.099 0.000 1.107 330 T CB -0.569 68.185 68.868 -0.191 0.000 0.898 330 T HN 0.085 nan 8.240 nan 0.000 0.517 331 F N -0.857 119.084 119.950 -0.014 0.000 2.656 331 F HA 0.358 4.885 4.527 -0.000 0.000 0.291 331 F C 0.854 176.613 175.800 -0.069 0.000 1.122 331 F CA -1.577 56.405 58.000 -0.031 0.000 1.427 331 F CB 0.196 39.176 39.000 -0.033 0.000 1.125 331 F HN 0.179 nan 8.300 nan 0.000 0.583 332 W N 4.790 126.009 121.300 -0.135 0.000 2.435 332 W HA 0.028 4.688 4.660 -0.000 0.000 0.337 332 W C -2.440 173.920 176.519 -0.265 0.000 1.300 332 W CA -1.652 55.529 57.345 -0.273 0.000 1.298 332 W CB 0.001 29.291 29.460 -0.283 0.000 1.217 332 W HN -0.190 nan 8.180 nan 0.000 0.565 333 P HA 0.103 nan 4.420 nan 0.000 0.276 333 P C 0.750 177.463 177.300 -0.978 0.000 1.235 333 P CA 0.279 62.778 63.100 -1.002 0.000 0.772 333 P CB 1.027 31.568 31.700 -1.933 0.000 0.871 334 G N 3.218 111.752 108.800 -0.442 0.000 2.432 334 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 334 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 334 G C 1.121 175.872 174.900 -0.248 0.000 1.135 334 G CA 0.043 45.019 45.100 -0.207 0.000 0.767 334 G HN 0.691 nan 8.290 nan 0.000 0.550 335 W N 0.323 121.496 121.300 -0.211 0.000 2.425 335 W HA 0.071 4.731 4.660 -0.000 0.000 0.277 335 W C 1.684 178.018 176.519 -0.307 0.000 1.231 335 W CA 0.419 57.639 57.345 -0.207 0.000 1.248 335 W CB -0.993 28.362 29.460 -0.176 0.000 1.117 335 W HN 0.173 nan 8.180 nan 0.000 0.568 336 L N 2.335 122.999 121.223 -0.932 0.000 2.141 336 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 336 L C 3.022 179.661 176.870 -0.385 0.000 1.094 336 L CA 2.052 56.371 54.840 -0.868 0.000 0.763 336 L CB -0.910 40.221 42.059 -1.546 0.000 0.908 336 L HN -0.032 nan 8.230 nan 0.000 0.437 337 R N -0.392 119.933 120.500 -0.292 0.000 2.080 337 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 337 R C 1.739 178.088 176.300 0.081 0.000 1.137 337 R CA 2.101 58.272 56.100 0.118 0.000 0.943 337 R CB -0.619 29.801 30.300 0.199 0.000 0.846 337 R HN 0.402 nan 8.270 nan 0.000 0.431 338 D N 1.005 121.426 120.400 0.036 0.000 2.178 338 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 338 D C 1.983 178.311 176.300 0.047 0.000 0.980 338 D CA 1.050 55.085 54.000 0.057 0.000 0.842 338 D CB -0.216 40.624 40.800 0.066 0.000 0.948 338 D HN 0.320 nan 8.370 nan 0.000 0.472 339 L N 0.494 121.739 121.223 0.037 0.000 2.027 339 L HA -0.087 4.253 4.340 -0.000 0.000 0.206 339 L C 2.321 179.194 176.870 0.005 0.000 1.074 339 L CA 0.945 55.804 54.840 0.030 0.000 0.745 339 L CB -0.151 41.934 42.059 0.043 0.000 0.898 339 L HN -0.103 nan 8.230 nan 0.000 0.433 340 I N -0.659 119.910 120.570 -0.002 0.000 2.264 340 I HA -0.378 3.792 4.170 -0.000 0.000 0.248 340 I C 2.492 178.542 176.117 -0.111 0.000 1.111 340 I CA 1.265 62.542 61.300 -0.038 0.000 1.382 340 I CB -0.418 37.612 38.000 0.050 0.000 1.060 340 I HN 0.453 nan 8.210 nan 0.000 0.418 341 C N 0.177 119.469 119.300 -0.014 0.000 2.450 341 C HA -0.136 4.324 4.460 -0.000 0.000 0.279 341 C C 2.464 177.432 174.990 -0.037 0.000 1.335 341 C CA 0.873 59.879 59.018 -0.020 0.000 1.749 341 C CB -0.903 26.883 27.740 0.077 0.000 1.963 341 C HN 0.533 nan 8.230 nan 0.000 0.501 342 D N 0.728 121.118 120.400 -0.016 0.000 2.084 342 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 342 D C 2.138 178.420 176.300 -0.030 0.000 0.985 342 D CA 1.373 55.369 54.000 -0.008 0.000 0.826 342 D CB -0.176 40.630 40.800 0.010 0.000 0.978 342 D HN 0.286 nan 8.370 nan 0.000 0.456 343 E N -0.009 120.163 120.200 -0.047 0.000 2.085 343 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 343 E C 2.260 178.801 176.600 -0.098 0.000 0.994 343 E CA 0.843 57.213 56.400 -0.050 0.000 0.801 343 E CB -0.421 29.256 29.700 -0.038 0.000 0.743 343 E HN 0.360 nan 8.360 nan 0.000 0.453 344 L N -0.195 120.895 121.223 -0.222 0.000 1.971 344 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 344 L C 2.596 179.419 176.870 -0.078 0.000 1.072 344 L CA 1.346 55.978 54.840 -0.347 0.000 0.758 344 L CB -0.682 41.011 42.059 -0.610 0.000 0.889 344 L HN 0.218 nan 8.230 nan 0.000 0.433 345 L N -0.188 121.012 121.223 -0.038 0.000 1.991 345 L HA -0.327 4.013 4.340 -0.000 0.000 0.221 345 L C 2.539 179.429 176.870 0.034 0.000 1.079 345 L CA 1.643 56.497 54.840 0.024 0.000 0.778 345 L CB -0.747 41.323 42.059 0.019 0.000 0.893 345 L HN 0.429 nan 8.230 nan 0.000 0.437 346 N N -0.201 118.509 118.700 0.018 0.000 2.104 346 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 346 N C 1.793 177.327 175.510 0.041 0.000 1.024 346 N CA 1.559 54.624 53.050 0.025 0.000 0.853 346 N CB -0.349 38.149 38.487 0.018 0.000 1.008 346 N HN 0.353 nan 8.380 nan 0.000 0.424 347 M N -0.908 118.725 119.600 0.054 0.000 2.358 347 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 347 M C 1.104 177.464 176.300 0.101 0.000 1.064 347 M CA 1.334 56.689 55.300 0.092 0.000 1.093 347 M CB 0.006 32.689 32.600 0.139 0.000 1.401 347 M HN 0.387 nan 8.290 nan 0.000 0.440 348 G N -1.294 107.565 108.800 0.099 0.000 2.192 348 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.193 348 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.193 348 G C -0.161 174.754 174.900 0.026 0.000 0.999 348 G CA -0.770 44.358 45.100 0.048 0.000 0.659 348 G HN 0.400 nan 8.290 nan 0.000 0.503 349 Y N 1.375 121.612 120.300 -0.104 0.000 2.805 349 Y HA 0.263 4.813 4.550 -0.000 0.000 0.337 349 Y C 1.435 177.234 175.900 -0.169 0.000 1.252 349 Y CA 0.570 58.572 58.100 -0.164 0.000 1.515 349 Y CB 0.660 39.027 38.460 -0.155 0.000 1.305 349 Y HN 0.493 nan 8.280 nan 0.000 0.600 350 A N 7.059 129.750 122.820 -0.215 0.000 2.515 350 A HA 0.124 4.444 4.320 -0.000 0.000 0.263 350 A C -1.569 175.849 177.584 -0.277 0.000 1.096 350 A CA -1.276 50.577 52.037 -0.307 0.000 0.769 350 A CB -0.134 18.486 19.000 -0.632 0.000 1.040 350 A HN 0.637 nan 8.150 nan 0.000 0.505 351 P HA -0.255 nan 4.420 nan 0.000 0.219 351 P C 1.688 179.019 177.300 0.052 0.000 1.161 351 P CA 2.317 65.435 63.100 0.030 0.000 0.909 351 P CB -0.255 31.501 31.700 0.093 0.000 0.793 352 W N -1.551 119.814 121.300 0.108 0.000 2.321 352 W HA -0.185 4.474 4.660 -0.000 0.000 0.306 352 W C 2.019 178.624 176.519 0.143 0.000 1.217 352 W CA 0.731 58.131 57.345 0.092 0.000 1.257 352 W CB -2.008 27.492 29.460 0.066 0.000 1.145 352 W HN 0.074 nan 8.180 nan 0.000 0.509 353 W N 2.239 123.151 121.300 -0.647 0.000 2.425 353 W HA -0.101 4.559 4.660 -0.000 0.000 0.277 353 W C 2.222 178.693 176.519 -0.080 0.000 1.231 353 W CA 2.615 59.693 57.345 -0.446 0.000 1.248 353 W CB -0.359 28.582 29.460 -0.865 0.000 1.117 353 W HN -0.253 nan 8.180 nan 0.000 0.568 354 V N 0.732 120.676 119.914 0.050 0.000 2.719 354 V HA -0.200 3.920 4.120 -0.000 0.000 0.252 354 V C 2.177 178.265 176.094 -0.010 0.000 1.065 354 V CA 1.884 64.191 62.300 0.012 0.000 1.086 354 V CB -0.803 31.065 31.823 0.074 0.000 0.700 354 V HN -0.030 nan 8.190 nan 0.000 0.467 355 K N 0.732 121.147 120.400 0.025 0.000 2.057 355 K HA -0.025 4.295 4.320 -0.000 0.000 0.206 355 K C 1.906 178.523 176.600 0.027 0.000 1.050 355 K CA 1.375 57.699 56.287 0.062 0.000 0.935 355 K CB -0.498 32.058 32.500 0.093 0.000 0.715 355 K HN 0.390 nan 8.250 nan 0.000 0.439 356 L N -0.532 120.668 121.223 -0.039 0.000 2.042 356 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 356 L C 2.234 178.990 176.870 -0.191 0.000 1.076 356 L CA 1.424 56.206 54.840 -0.096 0.000 0.749 356 L CB -0.540 41.432 42.059 -0.145 0.000 0.893 356 L HN 0.139 nan 8.230 nan 0.000 0.432 357 F N 0.883 120.522 119.950 -0.518 0.000 2.113 357 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 357 F C 2.671 178.350 175.800 -0.201 0.000 1.103 357 F CA 1.928 59.643 58.000 -0.475 0.000 1.248 357 F CB -0.189 38.385 39.000 -0.710 0.000 0.999 357 F HN 0.097 nan 8.300 nan 0.000 0.475 358 E N -0.624 119.566 120.200 -0.016 0.000 2.058 358 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 358 E C 1.996 178.562 176.600 -0.056 0.000 0.997 358 E CA 2.068 58.462 56.400 -0.010 0.000 0.801 358 E CB -0.293 29.448 29.700 0.069 0.000 0.746 358 E HN 0.387 nan 8.360 nan 0.000 0.450 359 T N 0.451 115.001 114.554 -0.007 0.000 2.746 359 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 359 T C 2.020 176.693 174.700 -0.045 0.000 1.039 359 T CA 1.555 63.669 62.100 0.023 0.000 1.142 359 T CB -0.381 68.584 68.868 0.162 0.000 0.866 359 T HN 0.348 nan 8.240 nan 0.000 0.444 360 S N 1.286 116.917 115.700 -0.114 0.000 2.465 360 S HA 0.016 4.486 4.470 -0.000 0.000 0.241 360 S C 1.540 176.107 174.600 -0.054 0.000 1.000 360 S CA 0.777 58.913 58.200 -0.107 0.000 0.964 360 S CB -0.581 62.498 63.200 -0.201 0.000 0.763 360 S HN 0.484 nan 8.310 nan 0.000 0.512 361 L N -0.282 120.853 121.223 -0.148 0.000 2.857 361 L HA 0.401 4.741 4.340 -0.000 0.000 0.249 361 L C 0.895 177.742 176.870 -0.039 0.000 1.172 361 L CA 0.033 54.793 54.840 -0.133 0.000 0.980 361 L CB 0.165 42.094 42.059 -0.217 0.000 1.299 361 L HN 0.163 nan 8.230 nan 0.000 0.535 362 K N 0.258 120.651 120.400 -0.012 0.000 2.734 362 K HA 0.302 4.622 4.320 -0.000 0.000 0.200 362 K C -0.651 175.947 176.600 -0.004 0.000 1.120 362 K CA -0.374 55.907 56.287 -0.010 0.000 1.067 362 K CB 1.393 33.873 32.500 -0.033 0.000 0.771 362 K HN 0.011 nan 8.250 nan 0.000 0.481 363 L N 2.213 123.481 121.223 0.075 0.000 2.375 363 L HA 0.322 4.662 4.340 -0.000 0.000 0.271 363 L C -2.437 174.504 176.870 0.119 0.000 1.107 363 L CA -1.856 53.026 54.840 0.070 0.000 0.806 363 L CB 0.565 42.672 42.059 0.079 0.000 1.146 363 L HN -0.085 nan 8.230 nan 0.000 0.447 364 P HA 0.102 nan 4.420 nan 0.000 0.269 364 P C -1.416 175.990 177.300 0.176 0.000 1.215 364 P CA -0.141 63.018 63.100 0.098 0.000 0.780 364 P CB 0.622 32.354 31.700 0.053 0.000 0.898 365 V N 1.075 121.106 119.914 0.195 0.000 2.628 365 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 365 V C -1.326 174.918 176.094 0.251 0.000 1.045 365 V CA -1.021 61.417 62.300 0.231 0.000 0.905 365 V CB 1.582 33.496 31.823 0.153 0.000 0.997 365 V HN 0.409 nan 8.190 nan 0.000 0.436 366 Y N 4.549 124.938 120.300 0.149 0.000 2.385 366 Y HA 0.660 5.210 4.550 -0.000 0.000 0.341 366 Y C -0.066 175.865 175.900 0.052 0.000 0.965 366 Y CA -0.620 57.584 58.100 0.173 0.000 1.180 366 Y CB 1.271 39.894 38.460 0.271 0.000 1.139 366 Y HN 0.705 nan 8.280 nan 0.000 0.502 367 V N 7.634 127.351 119.914 -0.328 0.000 2.508 367 V HA 0.206 4.326 4.120 -0.000 0.000 0.281 367 V C 0.902 176.702 176.094 -0.490 0.000 1.041 367 V CA 0.782 62.846 62.300 -0.392 0.000 1.016 367 V CB 0.671 32.207 31.823 -0.479 0.000 0.984 367 V HN 1.063 nan 8.190 nan 0.000 0.478 368 G N 3.542 112.174 108.800 -0.280 0.000 2.632 368 G HA2 0.415 4.375 3.960 -0.000 0.000 0.220 368 G HA3 0.415 4.375 3.960 -0.000 0.000 0.220 368 G C 0.341 175.257 174.900 0.026 0.000 1.439 368 G CA 0.502 45.572 45.100 -0.050 0.000 0.934 368 G HN 1.062 nan 8.290 nan 0.000 0.536 369 A N 0.201 123.072 122.820 0.085 0.000 2.943 369 A HA 0.677 4.997 4.320 -0.000 0.000 0.327 369 A C -1.779 175.820 177.584 0.026 0.000 1.141 369 A CA -0.831 51.240 52.037 0.056 0.000 0.773 369 A CB 1.420 20.498 19.000 0.130 0.000 1.143 369 A HN 0.167 nan 8.150 nan 0.000 0.463 370 P HA 0.043 nan 4.420 nan 0.000 0.215 370 P C 0.729 177.941 177.300 -0.147 0.000 1.157 370 P CA 2.015 64.846 63.100 -0.449 0.000 0.863 370 P CB 0.400 31.817 31.700 -0.471 0.000 0.787 371 A N -2.469 120.329 122.820 -0.036 0.000 2.552 371 A HA 0.661 4.981 4.320 -0.000 0.000 0.288 371 A C -2.925 174.511 177.584 -0.247 0.000 1.193 371 A CA -1.829 50.084 52.037 -0.208 0.000 0.713 371 A CB 0.239 19.132 19.000 -0.178 0.000 1.305 371 A HN -0.227 nan 8.150 nan 0.000 0.424 372 P HA 0.343 nan 4.420 nan 0.000 0.271 372 P C -0.544 176.685 177.300 -0.118 0.000 1.226 372 P CA 0.680 63.628 63.100 -0.253 0.000 0.765 372 P CB 0.416 31.925 31.700 -0.318 0.000 0.835 373 E N -0.509 119.656 120.200 -0.057 0.000 3.763 373 E HA -0.211 4.139 4.350 -0.000 0.000 0.319 373 E C -0.221 176.352 176.600 -0.046 0.000 0.804 373 E CA 0.594 56.964 56.400 -0.051 0.000 1.196 373 E CB -1.210 28.468 29.700 -0.036 0.000 1.607 373 E HN 0.644 nan 8.360 nan 0.000 0.431 374 Q N -0.395 119.377 119.800 -0.046 0.000 2.348 374 Q HA 0.649 4.989 4.340 -0.000 0.000 0.271 374 Q C 0.498 176.452 176.000 -0.078 0.000 1.067 374 Q CA -0.060 55.767 55.803 0.040 0.000 0.839 374 Q CB 2.478 31.311 28.738 0.157 0.000 1.354 374 Q HN 0.215 nan 8.270 nan 0.000 0.447 375 G N 0.132 108.958 108.800 0.045 0.000 2.416 375 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.203 375 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.203 375 G C -0.880 173.998 174.900 -0.037 0.000 1.227 375 G CA -0.329 44.685 45.100 -0.145 0.000 1.041 375 G HN 0.970 nan 8.290 nan 0.000 0.546 376 H N -0.446 118.561 119.070 -0.105 0.000 2.672 376 H HA -0.067 4.488 4.556 -0.000 0.000 0.325 376 H C -0.321 174.973 175.328 -0.056 0.000 1.158 376 H CA 0.615 56.622 56.048 -0.069 0.000 1.134 376 H CB -1.775 28.030 29.762 0.072 0.000 1.553 376 H HN 0.702 nan 8.280 nan 0.000 0.419 377 T N 1.489 115.946 114.554 -0.161 0.000 2.971 377 T HA 0.367 4.717 4.350 -0.000 0.000 0.304 377 T C -0.497 174.216 174.700 0.022 0.000 1.038 377 T CA -0.857 61.296 62.100 0.089 0.000 1.007 377 T CB 2.173 71.257 68.868 0.360 0.000 1.055 377 T HN 0.199 nan 8.240 nan 0.000 0.451 378 L N 3.966 125.390 121.223 0.335 0.000 2.292 378 L HA 0.607 4.947 4.340 -0.000 0.000 0.284 378 L C -1.137 176.001 176.870 0.446 0.000 1.065 378 L CA -0.484 54.620 54.840 0.440 0.000 0.806 378 L CB 0.330 42.685 42.059 0.492 0.000 1.175 378 L HN 0.600 nan 8.230 nan 0.000 0.431 379 L N 6.153 127.586 121.223 0.351 0.000 2.294 379 L HA 0.729 5.069 4.340 -0.000 0.000 0.283 379 L C 0.385 177.405 176.870 0.249 0.000 1.015 379 L CA -0.386 54.635 54.840 0.301 0.000 0.831 379 L CB 0.874 43.082 42.059 0.247 0.000 1.217 379 L HN 0.920 nan 8.230 nan 0.000 0.420 380 G N 2.438 111.406 108.800 0.280 0.000 2.675 380 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 380 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 380 G C -1.159 173.889 174.900 0.247 0.000 1.215 380 G CA -0.862 44.367 45.100 0.215 0.000 0.777 380 G HN 0.679 nan 8.290 nan 0.000 0.638 381 D N 1.901 122.403 120.400 0.169 0.000 2.347 381 D HA 0.569 5.209 4.640 -0.000 0.000 0.235 381 D C -0.722 175.526 176.300 -0.086 0.000 1.149 381 D CA -2.362 51.669 54.000 0.053 0.000 0.850 381 D CB 1.459 42.329 40.800 0.117 0.000 1.061 381 D HN 0.036 nan 8.370 nan 0.000 0.487 382 P HA -0.079 nan 4.420 nan 0.000 0.223 382 P C 0.975 178.166 177.300 -0.181 0.000 1.144 382 P CA 0.729 63.704 63.100 -0.209 0.000 0.783 382 P CB 0.347 31.870 31.700 -0.295 0.000 0.771 383 S N -1.511 114.113 115.700 -0.127 0.000 2.453 383 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 383 S C 1.060 175.618 174.600 -0.070 0.000 1.005 383 S CA 0.784 58.963 58.200 -0.035 0.000 0.949 383 S CB -0.453 62.745 63.200 -0.004 0.000 0.774 383 S HN 0.136 nan 8.310 nan 0.000 0.510 384 N N 0.961 119.546 118.700 -0.191 0.000 2.716 384 N HA 0.294 5.034 4.740 -0.000 0.000 0.245 384 N C -3.346 171.959 175.510 -0.342 0.000 1.495 384 N CA -1.637 51.239 53.050 -0.289 0.000 0.759 384 N CB 0.827 39.264 38.487 -0.084 0.000 1.261 384 N HN -0.023 nan 8.380 nan 0.000 0.515 385 P HA 0.182 nan 4.420 nan 0.000 0.264 385 P C -0.339 176.833 177.300 -0.212 0.000 1.193 385 P CA 0.377 63.282 63.100 -0.325 0.000 0.763 385 P CB 0.595 32.067 31.700 -0.380 0.000 0.810 386 D N 1.613 121.952 120.400 -0.102 0.000 2.848 386 D HA 0.063 4.703 4.640 -0.000 0.000 0.303 386 D C -0.349 175.940 176.300 -0.017 0.000 1.665 386 D CA -0.090 53.878 54.000 -0.054 0.000 0.807 386 D CB -1.019 39.756 40.800 -0.043 0.000 1.288 386 D HN 0.166 nan 8.370 nan 0.000 0.441 387 L N 0.293 121.511 121.223 -0.009 0.000 2.456 387 L HA 0.353 4.693 4.340 -0.000 0.000 0.257 387 L C 0.905 177.781 176.870 0.010 0.000 1.162 387 L CA -0.121 54.725 54.840 0.010 0.000 0.808 387 L CB 0.831 42.905 42.059 0.026 0.000 1.136 387 L HN -0.092 nan 8.230 nan 0.000 0.466 388 E N 1.128 121.336 120.200 0.013 0.000 3.846 388 E HA 0.109 4.459 4.350 -0.000 0.000 0.216 388 E C 0.844 177.452 176.600 0.013 0.000 1.092 388 E CA -0.051 56.360 56.400 0.019 0.000 1.370 388 E CB 0.975 30.688 29.700 0.023 0.000 1.227 388 E HN 0.394 nan 8.360 nan 0.000 0.442 389 V N -0.048 119.864 119.914 -0.003 0.000 2.828 389 V HA -0.165 3.955 4.120 -0.000 0.000 0.260 389 V C 1.464 177.544 176.094 -0.023 0.000 1.101 389 V CA 1.712 63.997 62.300 -0.025 0.000 1.123 389 V CB -1.014 30.768 31.823 -0.069 0.000 0.704 389 V HN 0.670 nan 8.190 nan 0.000 0.493 390 G N -0.369 108.442 108.800 0.019 0.000 2.662 390 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.236 390 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.236 390 G C -0.783 174.143 174.900 0.044 0.000 1.212 390 G CA -0.021 45.129 45.100 0.083 0.000 0.968 390 G HN 0.327 nan 8.290 nan 0.000 0.576 391 L N 1.573 122.751 121.223 -0.075 0.000 2.325 391 L HA 0.803 5.143 4.340 -0.000 0.000 0.278 391 L C 0.352 177.057 176.870 -0.275 0.000 1.023 391 L CA -0.297 54.343 54.840 -0.334 0.000 0.811 391 L CB 1.891 43.625 42.059 -0.542 0.000 1.249 391 L HN 0.927 nan 8.230 nan 0.000 0.431 392 S N 1.302 116.783 115.700 -0.364 0.000 2.456 392 S HA 0.233 4.703 4.470 -0.000 0.000 0.316 392 S C 1.111 175.528 174.600 -0.305 0.000 1.089 392 S CA -0.020 57.930 58.200 -0.416 0.000 1.101 392 S CB 1.303 64.012 63.200 -0.818 0.000 0.995 392 S HN 0.781 nan 8.310 nan 0.000 0.468 393 S N 2.902 118.480 115.700 -0.202 0.000 2.400 393 S HA -0.154 4.316 4.470 -0.000 0.000 0.234 393 S C 1.289 175.849 174.600 -0.067 0.000 1.049 393 S CA 1.315 59.451 58.200 -0.106 0.000 1.039 393 S CB -0.628 62.536 63.200 -0.060 0.000 0.856 393 S HN 0.988 nan 8.310 nan 0.000 0.465 394 G N 1.167 109.933 108.800 -0.058 0.000 4.291 394 G HA2 0.344 4.304 3.960 -0.000 0.000 0.304 394 G HA3 0.344 4.304 3.960 -0.000 0.000 0.304 394 G C -0.311 174.671 174.900 0.136 0.000 1.264 394 G CA -0.484 44.653 45.100 0.063 0.000 1.039 394 G HN 0.469 nan 8.290 nan 0.000 0.578 395 Q N 0.277 120.091 119.800 0.023 0.000 2.235 395 Q HA 0.308 4.648 4.340 -0.000 0.000 0.250 395 Q C 1.547 177.569 176.000 0.036 0.000 0.909 395 Q CA -0.085 55.750 55.803 0.053 0.000 0.910 395 Q CB 1.589 30.275 28.738 -0.086 0.000 1.223 395 Q HN 0.200 nan 8.270 nan 0.000 0.432 396 G N 2.613 111.447 108.800 0.057 0.000 2.517 396 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.222 396 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.222 396 G C 0.711 175.689 174.900 0.129 0.000 1.109 396 G CA 1.086 46.241 45.100 0.093 0.000 0.746 396 G HN 0.637 nan 8.290 nan 0.000 0.576 397 A N -1.017 121.883 122.820 0.133 0.000 2.609 397 A HA 0.480 4.800 4.320 -0.000 0.000 0.286 397 A C 1.686 179.309 177.584 0.064 0.000 1.138 397 A CA 1.145 53.289 52.037 0.179 0.000 0.960 397 A CB -0.290 18.970 19.000 0.433 0.000 1.208 397 A HN 0.204 nan 8.150 nan 0.000 0.541 398 T N 1.229 115.769 114.554 -0.023 0.000 2.737 398 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 398 T C 1.718 176.359 174.700 -0.099 0.000 1.040 398 T CA 2.493 64.519 62.100 -0.124 0.000 1.142 398 T CB -0.454 68.336 68.868 -0.129 0.000 0.861 398 T HN 0.684 nan 8.240 nan 0.000 0.456 399 D N 0.876 121.253 120.400 -0.038 0.000 2.149 399 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 399 D C 2.270 178.548 176.300 -0.037 0.000 0.972 399 D CA 0.878 54.859 54.000 -0.032 0.000 0.835 399 D CB -0.826 39.974 40.800 0.000 0.000 0.966 399 D HN 0.489 nan 8.370 nan 0.000 0.476 400 L N -0.526 120.682 121.223 -0.026 0.000 2.056 400 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 400 L C 2.667 179.585 176.870 0.080 0.000 1.078 400 L CA 0.723 55.546 54.840 -0.030 0.000 0.749 400 L CB -0.468 41.588 42.059 -0.006 0.000 0.901 400 L HN -0.025 nan 8.230 nan 0.000 0.433 401 M N -0.126 119.525 119.600 0.086 0.000 2.267 401 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 401 M C 2.257 178.706 176.300 0.248 0.000 1.063 401 M CA 1.669 57.044 55.300 0.124 0.000 1.090 401 M CB -1.670 30.736 32.600 -0.323 0.000 1.392 401 M HN 0.299 nan 8.290 nan 0.000 0.422 402 G N -0.954 107.912 108.800 0.111 0.000 2.453 402 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 402 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 402 G C 1.535 176.596 174.900 0.268 0.000 1.147 402 G CA 0.989 46.236 45.100 0.246 0.000 0.802 402 G HN 0.410 nan 8.290 nan 0.000 0.535 403 T N 1.838 116.482 114.554 0.149 0.000 2.770 403 T HA -0.011 4.339 4.350 -0.000 0.000 0.258 403 T C 2.238 177.075 174.700 0.229 0.000 1.039 403 T CA 0.645 62.820 62.100 0.125 0.000 1.143 403 T CB -0.333 68.447 68.868 -0.146 0.000 0.866 403 T HN 0.028 nan 8.240 nan 0.000 0.428 404 L N 1.543 122.900 121.223 0.223 0.000 2.011 404 L HA -0.161 4.179 4.340 -0.000 0.000 0.225 404 L C 2.362 179.496 176.870 0.440 0.000 1.084 404 L CA 2.070 57.127 54.840 0.361 0.000 0.791 404 L CB -1.396 40.887 42.059 0.374 0.000 0.898 404 L HN 0.299 nan 8.230 nan 0.000 0.440 405 L N -0.400 121.078 121.223 0.426 0.000 1.943 405 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 405 L C 2.521 179.604 176.870 0.354 0.000 1.074 405 L CA 2.160 57.214 54.840 0.357 0.000 0.759 405 L CB -0.654 41.564 42.059 0.265 0.000 0.888 405 L HN 0.232 nan 8.230 nan 0.000 0.433 406 M N -0.789 118.991 119.600 0.300 0.000 2.213 406 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 406 M C 2.579 178.929 176.300 0.082 0.000 1.062 406 M CA 1.738 57.099 55.300 0.101 0.000 1.105 406 M CB -1.571 31.119 32.600 0.149 0.000 1.385 406 M HN 0.566 nan 8.290 nan 0.000 0.417 407 S N 0.885 116.814 115.700 0.381 0.000 2.351 407 S HA -0.115 4.355 4.470 -0.000 0.000 0.220 407 S C 1.876 176.743 174.600 0.445 0.000 1.035 407 S CA 1.102 59.652 58.200 0.585 0.000 1.031 407 S CB -0.029 63.651 63.200 0.801 0.000 0.928 407 S HN 0.281 nan 8.310 nan 0.000 0.433 408 I N 1.896 122.644 120.570 0.297 0.000 2.208 408 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 408 I C 2.492 178.552 176.117 -0.094 0.000 1.097 408 I CA 1.631 62.908 61.300 -0.038 0.000 1.363 408 I CB -2.302 35.435 38.000 -0.439 0.000 1.051 408 I HN 0.348 nan 8.210 nan 0.000 0.413 409 T N 0.601 115.150 114.554 -0.008 0.000 2.665 409 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 409 T C 1.885 176.641 174.700 0.094 0.000 1.035 409 T CA 1.732 63.870 62.100 0.063 0.000 1.151 409 T CB -0.459 68.409 68.868 0.001 0.000 0.862 409 T HN 0.170 nan 8.240 nan 0.000 0.438 410 Y N 1.049 121.468 120.300 0.199 0.000 2.109 410 Y HA 0.039 4.589 4.550 -0.000 0.000 0.285 410 Y C 2.309 178.274 175.900 0.107 0.000 1.131 410 Y CA 0.077 58.281 58.100 0.174 0.000 1.121 410 Y CB -1.309 37.267 38.460 0.195 0.000 0.987 410 Y HN 0.084 nan 8.280 nan 0.000 0.495 411 L N -0.099 121.273 121.223 0.247 0.000 2.010 411 L HA -0.234 4.106 4.340 -0.000 0.000 0.219 411 L C 2.193 179.028 176.870 -0.058 0.000 1.077 411 L CA 1.757 56.566 54.840 -0.051 0.000 0.773 411 L CB -1.239 40.673 42.059 -0.244 0.000 0.892 411 L HN 0.075 nan 8.230 nan 0.000 0.436 412 V N -0.232 119.669 119.914 -0.022 0.000 2.282 412 V HA -0.410 3.710 4.120 -0.000 0.000 0.249 412 V C 2.691 178.826 176.094 0.068 0.000 1.057 412 V CA 2.498 64.798 62.300 -0.000 0.000 1.032 412 V CB -0.696 31.162 31.823 0.059 0.000 0.645 412 V HN 0.665 nan 8.190 nan 0.000 0.447 413 M N -0.846 118.851 119.600 0.163 0.000 2.202 413 M HA -0.285 4.195 4.480 -0.000 0.000 0.262 413 M C 2.287 178.747 176.300 0.267 0.000 1.063 413 M CA 1.878 57.331 55.300 0.255 0.000 1.097 413 M CB -0.137 32.652 32.600 0.314 0.000 1.382 413 M HN 0.446 nan 8.290 nan 0.000 0.413 414 Q N -0.139 119.769 119.800 0.181 0.000 2.062 414 Q HA -0.092 4.248 4.340 -0.000 0.000 0.196 414 Q C 2.021 178.082 176.000 0.102 0.000 0.967 414 Q CA 1.260 57.175 55.803 0.187 0.000 0.832 414 Q CB -0.073 28.683 28.738 0.029 0.000 0.899 414 Q HN 0.537 nan 8.270 nan 0.000 0.442 415 L N 0.787 122.001 121.223 -0.015 0.000 2.083 415 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 415 L C 1.766 178.579 176.870 -0.095 0.000 1.083 415 L CA 0.870 55.653 54.840 -0.096 0.000 0.752 415 L CB -0.440 41.527 42.059 -0.153 0.000 0.899 415 L HN 0.171 nan 8.230 nan 0.000 0.433 416 D N -0.988 119.363 120.400 -0.081 0.000 2.144 416 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 416 D C 1.907 177.992 176.300 -0.358 0.000 0.978 416 D CA 1.311 55.171 54.000 -0.234 0.000 0.833 416 D CB 0.018 40.656 40.800 -0.270 0.000 0.961 416 D HN 0.423 nan 8.370 nan 0.000 0.470 417 H N -2.016 117.078 119.070 0.040 0.000 2.893 417 H HA 0.206 4.762 4.556 -0.000 0.000 0.270 417 H C 1.177 176.537 175.328 0.052 0.000 1.095 417 H CA 0.927 57.001 56.048 0.044 0.000 1.186 417 H CB 1.143 30.941 29.762 0.060 0.000 1.562 417 H HN 0.217 nan 8.280 nan 0.000 0.536 418 T N -3.526 111.122 114.554 0.156 0.000 3.074 418 T HA 0.373 4.723 4.350 -0.000 0.000 0.258 418 T C 0.967 175.700 174.700 0.055 0.000 0.891 418 T CA 0.342 62.541 62.100 0.166 0.000 0.867 418 T CB 0.277 69.385 68.868 0.400 0.000 1.261 418 T HN 0.121 nan 8.240 nan 0.000 0.537 419 A N 2.014 124.778 122.820 -0.093 0.000 3.234 419 A HA 0.674 4.994 4.320 -0.000 0.000 0.247 419 A C -2.164 175.095 177.584 -0.542 0.000 0.938 419 A CA -0.935 50.838 52.037 -0.439 0.000 1.039 419 A CB 0.517 19.354 19.000 -0.271 0.000 1.197 419 A HN 0.246 nan 8.150 nan 0.000 0.498 420 P HA -0.162 nan 4.420 nan 0.000 0.222 420 P C 0.925 178.105 177.300 -0.199 0.000 1.147 420 P CA 1.482 64.447 63.100 -0.225 0.000 0.790 420 P CB -0.232 31.398 31.700 -0.116 0.000 0.780 421 H N -2.052 116.994 119.070 -0.040 0.000 2.556 421 H HA 0.130 4.686 4.556 -0.000 0.000 0.268 421 H C 1.361 176.645 175.328 -0.074 0.000 0.996 421 H CA 0.357 56.379 56.048 -0.042 0.000 1.157 421 H CB -1.446 28.309 29.762 -0.011 0.000 1.355 421 H HN 0.122 nan 8.280 nan 0.000 0.597 422 L N -0.198 120.953 121.223 -0.120 0.000 2.585 422 L HA 0.101 4.441 4.340 -0.000 0.000 0.226 422 L C 1.236 177.900 176.870 -0.343 0.000 1.113 422 L CA -0.045 54.685 54.840 -0.183 0.000 0.876 422 L CB -0.055 41.845 42.059 -0.265 0.000 1.072 422 L HN 0.208 nan 8.230 nan 0.000 0.468 423 N N 0.282 118.834 118.700 -0.248 0.000 2.166 423 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 423 N C 2.073 177.472 175.510 -0.185 0.000 1.019 423 N CA 1.695 54.606 53.050 -0.231 0.000 0.856 423 N CB -0.280 38.111 38.487 -0.160 0.000 0.993 423 N HN 0.330 nan 8.380 nan 0.000 0.426 424 S N 0.556 116.180 115.700 -0.126 0.000 2.442 424 S HA -0.020 4.450 4.470 -0.000 0.000 0.236 424 S C 1.691 176.231 174.600 -0.101 0.000 1.007 424 S CA 0.586 58.734 58.200 -0.087 0.000 0.965 424 S CB -0.083 63.090 63.200 -0.045 0.000 0.773 424 S HN 0.218 nan 8.310 nan 0.000 0.504 425 R N 0.805 121.208 120.500 -0.162 0.000 2.193 425 R HA 0.272 4.612 4.340 -0.000 0.000 0.213 425 R C 0.380 176.584 176.300 -0.160 0.000 1.055 425 R CA 0.520 56.530 56.100 -0.149 0.000 0.995 425 R CB -0.327 29.847 30.300 -0.210 0.000 0.893 425 R HN 0.500 nan 8.270 nan 0.000 0.459 426 I N 1.388 121.820 120.570 -0.230 0.000 2.479 426 I HA 0.156 4.326 4.170 -0.000 0.000 0.279 426 I C 0.714 176.767 176.117 -0.107 0.000 1.102 426 I CA -0.081 61.116 61.300 -0.171 0.000 1.196 426 I CB 1.100 38.951 38.000 -0.249 0.000 1.427 426 I HN -0.146 nan 8.210 nan 0.000 0.503 427 K N 2.149 122.510 120.400 -0.064 0.000 2.287 427 K HA 0.112 4.432 4.320 -0.000 0.000 0.199 427 K C -0.158 176.424 176.600 -0.031 0.000 1.061 427 K CA 0.518 56.777 56.287 -0.047 0.000 0.976 427 K CB 0.381 32.861 32.500 -0.034 0.000 0.898 427 K HN 0.637 nan 8.250 nan 0.000 0.492 428 D N -2.191 118.197 120.400 -0.020 0.000 2.744 428 D HA 0.135 4.775 4.640 -0.000 0.000 0.304 428 D C 0.659 176.958 176.300 -0.002 0.000 1.179 428 D CA -0.720 53.274 54.000 -0.009 0.000 1.024 428 D CB 0.288 41.087 40.800 -0.002 0.000 1.453 428 D HN -0.363 nan 8.370 nan 0.000 0.529 429 M N -0.470 119.134 119.600 0.006 0.000 2.082 429 M HA -0.014 4.466 4.480 -0.000 0.000 0.258 429 M C -1.002 175.310 176.300 0.020 0.000 1.071 429 M CA 1.773 57.082 55.300 0.014 0.000 1.103 429 M CB -2.348 30.263 32.600 0.020 0.000 1.307 429 M HN 0.380 nan 8.290 nan 0.000 0.409 430 P HA -0.135 nan 4.420 nan 0.000 0.214 430 P C 1.704 179.026 177.300 0.036 0.000 1.163 430 P CA 2.486 65.605 63.100 0.031 0.000 0.889 430 P CB -0.357 31.360 31.700 0.027 0.000 0.790 431 S N -0.873 114.844 115.700 0.030 0.000 2.419 431 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 431 S C 2.020 176.655 174.600 0.059 0.000 1.016 431 S CA 1.204 59.427 58.200 0.039 0.000 0.974 431 S CB -1.362 61.848 63.200 0.017 0.000 0.786 431 S HN 0.131 nan 8.310 nan 0.000 0.492 432 A N 1.360 124.201 122.820 0.035 0.000 1.841 432 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 432 A C 2.566 180.177 177.584 0.045 0.000 1.195 432 A CA 1.411 53.470 52.037 0.037 0.000 0.611 432 A CB -1.606 17.394 19.000 0.000 0.000 0.835 432 A HN 0.717 nan 8.150 nan 0.000 0.443 433 C N -0.901 118.410 119.300 0.018 0.000 2.367 433 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 433 C C 2.759 177.763 174.990 0.024 0.000 1.195 433 C CA 1.238 60.257 59.018 0.001 0.000 1.756 433 C CB -1.567 26.195 27.740 0.037 0.000 2.046 433 C HN 0.627 nan 8.230 nan 0.000 0.453 434 R N -0.238 120.300 120.500 0.064 0.000 2.136 434 R HA -0.249 4.091 4.340 -0.000 0.000 0.242 434 R C 2.078 178.429 176.300 0.085 0.000 1.131 434 R CA 2.424 58.573 56.100 0.082 0.000 0.937 434 R CB -0.796 29.557 30.300 0.089 0.000 0.863 434 R HN 0.645 nan 8.270 nan 0.000 0.435 435 F N 1.015 120.952 119.950 -0.022 0.000 2.134 435 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 435 F C 2.009 177.775 175.800 -0.057 0.000 1.097 435 F CA 1.196 59.177 58.000 -0.031 0.000 1.264 435 F CB -0.306 38.656 39.000 -0.064 0.000 1.001 435 F HN -0.035 nan 8.300 nan 0.000 0.479 436 L N 0.924 122.038 121.223 -0.182 0.000 1.976 436 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 436 L C 2.375 179.014 176.870 -0.385 0.000 1.071 436 L CA 2.416 56.993 54.840 -0.439 0.000 0.746 436 L CB -1.307 40.445 42.059 -0.512 0.000 0.890 436 L HN 0.321 nan 8.230 nan 0.000 0.432 437 D N -1.384 118.924 120.400 -0.155 0.000 2.172 437 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 437 D C 2.058 178.445 176.300 0.144 0.000 0.999 437 D CA 1.539 55.620 54.000 0.134 0.000 0.856 437 D CB 0.154 41.090 40.800 0.227 0.000 0.934 437 D HN 0.476 nan 8.370 nan 0.000 0.453 438 S N -1.083 114.610 115.700 -0.011 0.000 2.344 438 S HA -0.234 4.236 4.470 -0.000 0.000 0.217 438 S C 2.127 176.669 174.600 -0.098 0.000 1.033 438 S CA 1.273 59.455 58.200 -0.031 0.000 1.017 438 S CB -0.920 62.230 63.200 -0.083 0.000 0.941 438 S HN 0.513 nan 8.310 nan 0.000 0.430 439 Y N -0.107 119.923 120.300 -0.450 0.000 2.256 439 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 439 Y C 1.810 177.657 175.900 -0.089 0.000 1.155 439 Y CA 1.883 59.736 58.100 -0.411 0.000 1.203 439 Y CB -0.266 37.768 38.460 -0.709 0.000 0.980 439 Y HN 0.405 nan 8.280 nan 0.000 0.530 440 W N 0.912 122.052 121.300 -0.267 0.000 2.584 440 W HA -0.029 4.631 4.660 -0.000 0.000 0.264 440 W C 1.797 178.223 176.519 -0.156 0.000 1.264 440 W CA 0.855 58.021 57.345 -0.297 0.000 1.306 440 W CB -0.521 28.776 29.460 -0.272 0.000 1.110 440 W HN 0.284 nan 8.180 nan 0.000 0.606 441 Q N -0.651 119.183 119.800 0.056 0.000 2.403 441 Q HA 0.163 4.502 4.340 -0.000 0.000 0.203 441 Q C 1.710 177.332 176.000 -0.631 0.000 0.932 441 Q CA 0.759 56.423 55.803 -0.232 0.000 0.945 441 Q CB -0.023 28.470 28.738 -0.408 0.000 1.045 441 Q HN 0.274 nan 8.270 nan 0.000 0.511 442 G N 1.408 109.916 108.800 -0.487 0.000 2.175 442 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.265 442 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.265 442 G C -0.062 174.551 174.900 -0.480 0.000 0.979 442 G CA 0.458 45.137 45.100 -0.703 0.000 0.663 442 G HN 0.625 nan 8.290 nan 0.000 0.533 443 H N 1.021 119.935 119.070 -0.261 0.000 3.262 443 H HA 0.380 4.936 4.556 -0.000 0.000 0.270 443 H C 0.505 175.780 175.328 -0.088 0.000 1.431 443 H CA 0.233 56.190 56.048 -0.151 0.000 1.237 443 H CB 0.197 29.903 29.762 -0.094 0.000 1.443 443 H HN 0.359 nan 8.280 nan 0.000 0.609 444 E N 0.133 120.335 120.200 0.003 0.000 2.449 444 E HA -0.018 4.332 4.350 -0.000 0.000 0.278 444 E C 0.520 177.144 176.600 0.040 0.000 0.992 444 E CA -0.410 56.016 56.400 0.043 0.000 0.807 444 E CB 1.371 31.103 29.700 0.053 0.000 1.350 444 E HN 0.556 nan 8.360 nan 0.000 0.462 445 E N 0.924 121.174 120.200 0.083 0.000 2.285 445 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 445 E C 0.708 177.300 176.600 -0.013 0.000 0.997 445 E CA 0.570 57.014 56.400 0.074 0.000 0.845 445 E CB -0.049 29.732 29.700 0.135 0.000 0.782 445 E HN 0.432 nan 8.360 nan 0.000 0.491 446 I N -1.180 119.362 120.570 -0.046 0.000 2.460 446 I HA 0.605 4.775 4.170 -0.000 0.000 0.298 446 I C -0.352 175.651 176.117 -0.190 0.000 0.989 446 I CA -1.264 59.857 61.300 -0.298 0.000 1.173 446 I CB 1.770 39.612 38.000 -0.264 0.000 1.338 446 I HN -0.153 nan 8.210 nan 0.000 0.456 447 R N 3.035 123.217 120.500 -0.530 0.000 2.817 447 R HA 0.574 4.914 4.340 -0.000 0.000 0.268 447 R C -1.526 174.454 176.300 -0.534 0.000 1.027 447 R CA -0.903 54.929 56.100 -0.446 0.000 0.928 447 R CB 2.389 32.529 30.300 -0.267 0.000 1.228 447 R HN 0.786 nan 8.270 nan 0.000 0.469 448 Q N 2.151 121.778 119.800 -0.288 0.000 2.327 448 Q HA 0.433 4.773 4.340 -0.000 0.000 0.265 448 Q C -1.725 174.202 176.000 -0.123 0.000 0.993 448 Q CA -0.708 54.973 55.803 -0.203 0.000 0.885 448 Q CB 1.872 30.563 28.738 -0.078 0.000 1.379 448 Q HN 0.669 nan 8.270 nan 0.000 0.408 449 I N 0.855 121.340 120.570 -0.141 0.000 2.433 449 I HA 0.875 5.045 4.170 -0.000 0.000 0.292 449 I C -0.889 175.065 176.117 -0.271 0.000 1.001 449 I CA -0.667 60.469 61.300 -0.274 0.000 1.119 449 I CB 2.123 39.761 38.000 -0.603 0.000 1.289 449 I HN 0.695 nan 8.210 nan 0.000 0.438 450 S N 3.655 119.517 115.700 0.270 0.000 2.558 450 S HA 0.476 4.946 4.470 -0.000 0.000 0.277 450 S C -1.125 173.911 174.600 0.726 0.000 1.143 450 S CA -1.032 57.478 58.200 0.517 0.000 0.865 450 S CB 1.817 65.262 63.200 0.409 0.000 1.102 450 S HN 0.861 nan 8.310 nan 0.000 0.454 451 K N 2.090 122.832 120.400 0.569 0.000 2.579 451 K HA 0.631 4.951 4.320 -0.000 0.000 0.225 451 K C 0.243 176.973 176.600 0.217 0.000 0.992 451 K CA -0.039 56.452 56.287 0.341 0.000 1.018 451 K CB 0.255 32.883 32.500 0.213 0.000 1.249 451 K HN 0.853 nan 8.250 nan 0.000 0.489 452 S N 1.457 117.281 115.700 0.206 0.000 4.114 452 S HA -0.288 4.182 4.470 -0.000 0.000 0.618 452 S C 0.896 175.601 174.600 0.175 0.000 1.937 452 S CA 1.705 59.974 58.200 0.115 0.000 4.228 452 S CB -1.115 62.046 63.200 -0.065 0.000 0.216 452 S HN 0.994 nan 8.310 nan 0.000 0.528 453 D N 2.054 122.463 120.400 0.016 0.000 2.269 453 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 453 D C 0.291 176.734 176.300 0.239 0.000 0.963 453 D CA 1.018 55.095 54.000 0.129 0.000 0.864 453 D CB -0.534 40.280 40.800 0.023 0.000 0.936 453 D HN 0.432 nan 8.370 nan 0.000 0.505 454 D N 0.155 120.677 120.400 0.205 0.000 2.210 454 D HA 0.573 5.213 4.640 -0.000 0.000 0.249 454 D C -0.882 175.664 176.300 0.410 0.000 1.078 454 D CA -0.323 53.830 54.000 0.255 0.000 0.875 454 D CB 1.422 42.301 40.800 0.131 0.000 1.175 454 D HN 0.271 nan 8.370 nan 0.000 0.440 455 A N 3.097 126.104 122.820 0.312 0.000 2.597 455 A HA 0.610 4.930 4.320 -0.000 0.000 0.292 455 A C -1.367 176.126 177.584 -0.152 0.000 1.057 455 A CA -0.735 51.323 52.037 0.037 0.000 0.674 455 A CB 1.137 20.032 19.000 -0.175 0.000 1.278 455 A HN 0.502 nan 8.150 nan 0.000 0.416 456 M N 1.854 121.245 119.600 -0.348 0.000 2.326 456 M HA 0.490 4.970 4.480 -0.000 0.000 0.306 456 M C -1.330 174.895 176.300 -0.125 0.000 1.054 456 M CA -0.290 54.924 55.300 -0.143 0.000 0.922 456 M CB 1.855 34.431 32.600 -0.040 0.000 1.632 456 M HN 0.594 nan 8.290 nan 0.000 0.436 457 L N 1.840 122.965 121.223 -0.163 0.000 2.317 457 L HA 0.881 5.221 4.340 -0.000 0.000 0.281 457 L C 0.321 176.780 176.870 -0.684 0.000 1.024 457 L CA -0.738 53.829 54.840 -0.454 0.000 0.810 457 L CB 1.784 43.641 42.059 -0.337 0.000 1.240 457 L HN 0.812 nan 8.230 nan 0.000 0.427 458 G N 1.621 109.469 108.800 -1.586 0.000 2.524 458 G HA2 0.561 4.521 3.960 -0.000 0.000 0.310 458 G HA3 0.561 4.521 3.960 -0.000 0.000 0.310 458 G C -1.885 172.267 174.900 -1.247 0.000 1.279 458 G CA -0.352 43.698 45.100 -1.749 0.000 0.974 458 G HN 0.482 nan 8.290 nan 0.000 0.484 459 W N 2.257 123.255 121.300 -0.504 0.000 2.538 459 W HA 0.353 5.013 4.660 -0.000 0.000 0.322 459 W C 0.663 177.127 176.519 -0.092 0.000 1.028 459 W CA -0.708 56.496 57.345 -0.235 0.000 1.228 459 W CB 2.198 31.578 29.460 -0.134 0.000 1.356 459 W HN 0.774 nan 8.180 nan 0.000 0.452 460 T N -0.036 114.590 114.554 0.119 0.000 2.732 460 T HA 0.277 4.627 4.350 -0.000 0.000 0.287 460 T C 0.390 175.208 174.700 0.197 0.000 0.993 460 T CA -0.448 61.759 62.100 0.179 0.000 0.966 460 T CB 1.179 70.132 68.868 0.142 0.000 1.047 460 T HN 0.256 nan 8.240 nan 0.000 0.527 461 K N 0.555 121.056 120.400 0.168 0.000 2.414 461 K HA 0.507 4.827 4.320 -0.000 0.000 0.272 461 K C 0.663 177.343 176.600 0.133 0.000 0.993 461 K CA 0.574 56.948 56.287 0.145 0.000 0.964 461 K CB 0.089 32.658 32.500 0.114 0.000 0.925 461 K HN 1.030 nan 8.250 nan 0.000 0.487 462 G N 0.837 109.713 108.800 0.127 0.000 2.356 462 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.288 462 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.288 462 G C -0.163 174.813 174.900 0.125 0.000 1.302 462 G CA -0.879 44.287 45.100 0.111 0.000 0.887 462 G HN 0.546 nan 8.290 nan 0.000 0.521 463 R N -0.130 120.436 120.500 0.111 0.000 2.073 463 R HA 0.080 4.420 4.340 -0.000 0.000 0.234 463 R C 3.102 179.546 176.300 0.239 0.000 1.134 463 R CA 2.107 58.290 56.100 0.138 0.000 0.952 463 R CB -0.503 29.828 30.300 0.052 0.000 0.850 463 R HN 0.663 nan 8.270 nan 0.000 0.433 464 A N 1.543 124.580 122.820 0.361 0.000 1.940 464 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 464 A C 2.101 179.835 177.584 0.250 0.000 1.176 464 A CA 1.283 53.528 52.037 0.346 0.000 0.631 464 A CB -0.617 18.644 19.000 0.435 0.000 0.814 464 A HN 0.272 nan 8.150 nan 0.000 0.446 465 L N -0.136 121.238 121.223 0.252 0.000 2.085 465 L HA -0.219 4.121 4.340 -0.000 0.000 0.218 465 L C 2.449 179.357 176.870 0.062 0.000 1.080 465 L CA 2.511 57.443 54.840 0.153 0.000 0.776 465 L CB -0.643 41.529 42.059 0.188 0.000 0.891 465 L HN 0.284 nan 8.230 nan 0.000 0.437 466 V N -0.581 119.391 119.914 0.096 0.000 2.379 466 V HA -0.071 4.049 4.120 -0.000 0.000 0.245 466 V C 2.362 178.475 176.094 0.031 0.000 1.044 466 V CA 1.839 64.191 62.300 0.085 0.000 1.036 466 V CB -0.742 31.118 31.823 0.063 0.000 0.664 466 V HN 0.573 nan 8.190 nan 0.000 0.453 467 G N -0.424 108.383 108.800 0.013 0.000 2.422 467 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 467 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 467 G C 1.589 176.400 174.900 -0.148 0.000 1.146 467 G CA 0.839 45.936 45.100 -0.005 0.000 0.769 467 G HN 0.728 nan 8.290 nan 0.000 0.547 468 G N 0.127 108.662 108.800 -0.442 0.000 2.491 468 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 468 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 468 G C 1.626 176.087 174.900 -0.732 0.000 1.180 468 G CA 1.143 45.536 45.100 -1.179 0.000 0.774 468 G HN 0.506 nan 8.290 nan 0.000 0.562 469 H N 0.419 119.258 119.070 -0.385 0.000 2.387 469 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 469 H C 2.922 178.199 175.328 -0.084 0.000 1.099 469 H CA 1.253 57.204 56.048 -0.162 0.000 1.315 469 H CB 0.059 29.750 29.762 -0.118 0.000 1.380 469 H HN 0.162 nan 8.280 nan 0.000 0.513 470 R N 0.615 121.127 120.500 0.020 0.000 2.083 470 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 470 R C 2.495 178.793 176.300 -0.003 0.000 1.137 470 R CA 0.673 56.782 56.100 0.015 0.000 0.951 470 R CB -1.050 29.263 30.300 0.021 0.000 0.851 470 R HN 0.241 nan 8.270 nan 0.000 0.434 471 L N 0.422 121.611 121.223 -0.057 0.000 2.012 471 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 471 L C 2.188 179.067 176.870 0.014 0.000 1.073 471 L CA 1.640 56.433 54.840 -0.078 0.000 0.748 471 L CB -0.917 41.084 42.059 -0.096 0.000 0.891 471 L HN 0.016 nan 8.230 nan 0.000 0.431 472 F N 0.817 120.665 119.950 -0.170 0.000 2.087 472 F HA -0.282 4.245 4.527 -0.000 0.000 0.299 472 F C 2.549 178.315 175.800 -0.056 0.000 1.100 472 F CA 2.080 60.023 58.000 -0.096 0.000 1.226 472 F CB -0.663 38.274 39.000 -0.105 0.000 0.983 472 F HN 0.288 nan 8.300 nan 0.000 0.479 473 E N -0.214 120.079 120.200 0.156 0.000 2.077 473 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 473 E C 2.390 178.986 176.600 -0.007 0.000 0.989 473 E CA 1.399 57.816 56.400 0.028 0.000 0.800 473 E CB -0.477 29.233 29.700 0.018 0.000 0.746 473 E HN 0.464 nan 8.360 nan 0.000 0.452 474 M N -0.436 119.164 119.600 0.000 0.000 2.202 474 M HA -0.160 4.319 4.480 -0.000 0.000 0.262 474 M C 1.430 177.727 176.300 -0.005 0.000 1.063 474 M CA 1.331 56.615 55.300 -0.026 0.000 1.097 474 M CB 0.057 32.606 32.600 -0.086 0.000 1.382 474 M HN 0.171 nan 8.290 nan 0.000 0.413 475 L N -0.365 120.881 121.223 0.038 0.000 2.270 475 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 475 L C 2.430 179.301 176.870 0.001 0.000 1.104 475 L CA 0.784 55.679 54.840 0.091 0.000 0.804 475 L CB -0.405 41.767 42.059 0.188 0.000 0.937 475 L HN 0.299 nan 8.230 nan 0.000 0.450 476 K N 0.643 120.942 120.400 -0.169 0.000 2.007 476 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 476 K C 1.879 178.367 176.600 -0.187 0.000 1.047 476 K CA 1.324 57.360 56.287 -0.419 0.000 0.937 476 K CB 0.047 32.217 32.500 -0.550 0.000 0.718 476 K HN 0.185 nan 8.250 nan 0.000 0.438 477 E N -0.389 119.739 120.200 -0.120 0.000 2.267 477 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 477 E C 0.618 177.213 176.600 -0.009 0.000 0.998 477 E CA 0.636 56.998 56.400 -0.062 0.000 0.830 477 E CB -0.210 29.462 29.700 -0.048 0.000 0.751 477 E HN 0.629 nan 8.360 nan 0.000 0.491 478 G N 1.274 110.086 108.800 0.019 0.000 2.395 478 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.300 478 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.300 478 G C 0.565 175.491 174.900 0.043 0.000 0.998 478 G CA 1.249 46.386 45.100 0.062 0.000 1.046 478 G HN 0.266 nan 8.290 nan 0.000 0.513 479 K N -1.676 118.739 120.400 0.026 0.000 2.329 479 K HA 0.332 4.652 4.320 -0.000 0.000 0.198 479 K C 0.941 177.555 176.600 0.024 0.000 1.085 479 K CA 0.419 56.720 56.287 0.023 0.000 0.961 479 K CB 0.842 33.349 32.500 0.012 0.000 0.971 479 K HN 0.247 nan 8.250 nan 0.000 0.502 480 V N 2.422 122.348 119.914 0.020 0.000 2.435 480 V HA 0.179 4.299 4.120 -0.000 0.000 0.290 480 V C -0.683 175.425 176.094 0.023 0.000 1.030 480 V CA -1.116 61.196 62.300 0.021 0.000 0.881 480 V CB 1.390 33.225 31.823 0.019 0.000 0.983 480 V HN 0.194 nan 8.190 nan 0.000 0.445 481 N N 5.867 124.584 118.700 0.028 0.000 2.430 481 N HA 0.313 5.053 4.740 -0.000 0.000 0.265 481 N C -1.669 173.865 175.510 0.039 0.000 1.100 481 N CA -1.468 51.601 53.050 0.032 0.000 0.961 481 N CB 1.683 40.183 38.487 0.022 0.000 1.075 481 N HN 0.286 nan 8.380 nan 0.000 0.478 482 P HA 0.027 nan 4.420 nan 0.000 0.222 482 P C -0.194 177.213 177.300 0.178 0.000 1.153 482 P CA 0.500 63.636 63.100 0.060 0.000 0.798 482 P CB 0.390 32.071 31.700 -0.031 0.000 0.796 483 S N -0.463 115.298 115.700 0.101 0.000 2.638 483 S HA 0.462 4.932 4.470 -0.000 0.000 0.298 483 S C -2.074 172.492 174.600 -0.056 0.000 1.111 483 S CA -1.991 56.244 58.200 0.059 0.000 1.027 483 S CB 0.890 64.158 63.200 0.112 0.000 1.064 483 S HN -0.113 nan 8.310 nan 0.000 0.525 484 P HA 0.200 nan 4.420 nan 0.000 0.267 484 P C -0.063 177.050 177.300 -0.311 0.000 1.289 484 P CA 0.290 63.184 63.100 -0.344 0.000 0.866 484 P CB 0.062 31.431 31.700 -0.551 0.000 1.309 485 Y N -0.906 119.450 120.300 0.093 0.000 2.500 485 Y HA 0.342 4.891 4.550 -0.000 0.000 0.284 485 Y C 1.511 177.407 175.900 -0.007 0.000 1.118 485 Y CA 0.434 58.609 58.100 0.125 0.000 1.241 485 Y CB 0.146 38.743 38.460 0.227 0.000 1.171 485 Y HN -0.170 nan 8.280 nan 0.000 0.540 486 M N -0.325 119.323 119.600 0.079 0.000 2.569 486 M HA 0.281 4.760 4.480 -0.000 0.000 0.279 486 M C -0.988 175.246 176.300 -0.109 0.000 1.253 486 M CA -0.914 54.327 55.300 -0.098 0.000 0.867 486 M CB 2.191 34.771 32.600 -0.033 0.000 1.727 486 M HN -0.206 nan 8.290 nan 0.000 0.467 487 K N 2.234 122.498 120.400 -0.227 0.000 2.338 487 K HA 0.471 4.790 4.320 -0.000 0.000 0.290 487 K C -0.787 175.828 176.600 0.026 0.000 1.069 487 K CA -0.083 56.144 56.287 -0.099 0.000 0.941 487 K CB 0.443 32.867 32.500 -0.125 0.000 1.023 487 K HN 0.404 nan 8.250 nan 0.000 0.477 488 I N 1.969 122.587 120.570 0.079 0.000 2.474 488 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 488 I C 0.444 176.657 176.117 0.160 0.000 1.005 488 I CA -0.563 60.829 61.300 0.154 0.000 1.113 488 I CB 1.422 39.544 38.000 0.203 0.000 1.289 488 I HN 0.581 nan 8.210 nan 0.000 0.436 489 S N 4.515 120.329 115.700 0.189 0.000 2.685 489 S HA 0.666 5.136 4.470 -0.000 0.000 0.282 489 S C -0.843 173.919 174.600 0.270 0.000 1.159 489 S CA -0.794 57.540 58.200 0.223 0.000 0.833 489 S CB 1.901 65.215 63.200 0.190 0.000 1.151 489 S HN 0.496 nan 8.310 nan 0.000 0.485 490 Y N 0.458 120.846 120.300 0.147 0.000 2.300 490 Y HA 0.590 5.140 4.550 -0.000 0.000 0.328 490 Y C 0.209 176.214 175.900 0.174 0.000 1.270 490 Y CA -0.919 57.279 58.100 0.164 0.000 1.352 490 Y CB 0.440 39.045 38.460 0.241 0.000 1.286 490 Y HN 0.866 nan 8.280 nan 0.000 0.536 491 Q N 2.585 122.345 119.800 -0.067 0.000 2.322 491 Q HA 0.124 4.464 4.340 -0.000 0.000 0.256 491 Q C -1.303 174.534 176.000 -0.272 0.000 0.960 491 Q CA -0.656 55.064 55.803 -0.138 0.000 0.934 491 Q CB 0.123 28.883 28.738 0.037 0.000 1.200 491 Q HN 0.915 nan 8.270 nan 0.000 0.435 492 H N 3.522 122.322 119.070 -0.449 0.000 3.157 492 H HA 0.303 4.859 4.556 -0.000 0.000 0.260 492 H C 0.039 175.345 175.328 -0.038 0.000 1.232 492 H CA 1.493 57.378 56.048 -0.271 0.000 1.488 492 H CB -0.062 29.566 29.762 -0.223 0.000 1.548 492 H HN 0.897 nan 8.280 nan 0.000 0.487 493 G N 3.586 112.314 108.800 -0.121 0.000 3.043 493 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.239 493 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.239 493 G C 0.346 175.291 174.900 0.075 0.000 1.042 493 G CA -0.470 44.628 45.100 -0.004 0.000 1.189 493 G HN 0.945 nan 8.290 nan 0.000 0.578 494 G N -0.094 108.790 108.800 0.140 0.000 2.299 494 G HA2 0.750 4.710 3.960 -0.000 0.000 0.256 494 G HA3 0.750 4.710 3.960 -0.000 0.000 0.256 494 G C 0.414 175.431 174.900 0.195 0.000 1.259 494 G CA 0.788 46.002 45.100 0.191 0.000 0.943 494 G HN 1.997 nan 8.290 nan 0.000 0.479 495 A N 2.169 125.115 122.820 0.210 0.000 2.589 495 A HA 0.712 5.032 4.320 -0.000 0.000 0.296 495 A C -1.723 176.041 177.584 0.300 0.000 1.062 495 A CA -0.666 51.527 52.037 0.260 0.000 0.686 495 A CB 1.640 20.738 19.000 0.163 0.000 1.282 495 A HN 1.145 nan 8.150 nan 0.000 0.404 496 F N 2.565 122.582 119.950 0.112 0.000 2.536 496 F HA 0.606 5.133 4.527 -0.000 0.000 0.322 496 F C -0.249 175.460 175.800 -0.152 0.000 1.144 496 F CA -1.022 56.955 58.000 -0.038 0.000 0.924 496 F CB 1.276 40.232 39.000 -0.074 0.000 1.181 496 F HN 0.490 nan 8.300 nan 0.000 0.438 497 L N 6.404 127.211 121.223 -0.693 0.000 3.746 497 L HA -0.096 4.244 4.340 -0.000 0.000 0.542 497 L C 1.169 177.828 176.870 -0.351 0.000 1.268 497 L CA 1.336 55.801 54.840 -0.625 0.000 0.818 497 L CB -1.506 40.011 42.059 -0.904 0.000 1.472 497 L HN 1.224 nan 8.230 nan 0.000 0.843 498 G N -1.254 107.419 108.800 -0.212 0.000 2.284 498 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.261 498 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.261 498 G C 0.220 175.100 174.900 -0.033 0.000 0.997 498 G CA 0.458 45.490 45.100 -0.113 0.000 0.621 498 G HN 0.534 nan 8.290 nan 0.000 0.534 499 D N 0.580 120.952 120.400 -0.046 0.000 2.217 499 D HA 0.554 5.194 4.640 -0.000 0.000 0.243 499 D C 0.653 177.100 176.300 0.245 0.000 1.054 499 D CA -0.415 53.623 54.000 0.065 0.000 0.838 499 D CB 1.370 42.141 40.800 -0.047 0.000 1.162 499 D HN 0.269 nan 8.370 nan 0.000 0.472 500 I N 1.841 122.559 120.570 0.246 0.000 2.474 500 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 500 I C 0.108 176.357 176.117 0.220 0.000 1.048 500 I CA -0.788 60.646 61.300 0.223 0.000 1.383 500 I CB 1.097 39.172 38.000 0.125 0.000 1.412 500 I HN 0.082 nan 8.210 nan 0.000 0.531 501 L N 8.009 129.261 121.223 0.048 0.000 2.295 501 L HA 0.239 4.579 4.340 -0.000 0.000 0.288 501 L C -0.522 176.194 176.870 -0.256 0.000 1.079 501 L CA -0.213 54.358 54.840 -0.448 0.000 0.830 501 L CB 0.701 42.400 42.059 -0.600 0.000 1.200 501 L HN 0.395 nan 8.230 nan 0.000 0.438 502 L N 6.776 127.852 121.223 -0.245 0.000 2.328 502 L HA 0.358 4.698 4.340 -0.000 0.000 0.280 502 L C -0.551 176.258 176.870 -0.101 0.000 1.111 502 L CA 0.053 54.849 54.840 -0.073 0.000 0.909 502 L CB -0.442 41.608 42.059 -0.015 0.000 1.277 502 L HN 0.475 nan 8.230 nan 0.000 0.433 503 Y N 2.554 122.861 120.300 0.012 0.000 2.223 503 Y HA 0.215 4.765 4.550 -0.000 0.000 0.352 503 Y C 1.015 176.954 175.900 0.064 0.000 1.293 503 Y CA 0.235 58.351 58.100 0.028 0.000 1.601 503 Y CB 0.475 38.966 38.460 0.053 0.000 1.407 503 Y HN 0.710 nan 8.280 nan 0.000 0.639 504 D N -2.144 118.396 120.400 0.234 0.000 2.855 504 D HA 0.123 4.763 4.640 -0.000 0.000 0.231 504 D C 1.026 177.384 176.300 0.097 0.000 1.225 504 D CA 0.198 54.289 54.000 0.151 0.000 1.074 504 D CB -0.231 40.627 40.800 0.097 0.000 1.235 504 D HN 0.403 nan 8.370 nan 0.000 0.635 505 S N -0.406 115.329 115.700 0.058 0.000 2.374 505 S HA -0.183 4.287 4.470 -0.000 0.000 0.227 505 S C 1.574 176.169 174.600 -0.008 0.000 1.037 505 S CA 0.946 59.152 58.200 0.009 0.000 1.024 505 S CB -0.534 62.676 63.200 0.015 0.000 0.861 505 S HN 0.474 nan 8.310 nan 0.000 0.456 506 R N 0.589 121.103 120.500 0.023 0.000 2.426 506 R HA 0.275 4.614 4.340 -0.000 0.000 0.263 506 R C -0.221 176.093 176.300 0.023 0.000 0.961 506 R CA -0.304 55.803 56.100 0.012 0.000 1.086 506 R CB 0.115 30.430 30.300 0.026 0.000 1.186 506 R HN 0.177 nan 8.270 nan 0.000 0.537 507 R N 1.346 121.870 120.500 0.041 0.000 3.211 507 R HA -0.213 4.126 4.340 -0.000 0.000 0.240 507 R C -0.908 175.437 176.300 0.075 0.000 0.915 507 R CA 1.072 57.174 56.100 0.003 0.000 0.621 507 R CB -1.944 28.249 30.300 -0.180 0.000 1.008 507 R HN 0.511 nan 8.270 nan 0.000 0.471 508 E N -0.435 119.916 120.200 0.251 0.000 2.238 508 E HA 0.227 4.577 4.350 -0.000 0.000 0.267 508 E C -1.823 174.984 176.600 0.345 0.000 0.887 508 E CA -2.306 54.256 56.400 0.270 0.000 0.769 508 E CB 1.657 31.448 29.700 0.151 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 0.221 509 P C 1.084 178.403 177.300 0.032 0.000 1.145 509 P CA 0.968 64.167 63.100 0.165 0.000 0.795 509 P CB 0.264 32.127 31.700 0.272 0.000 0.775 510 G N 0.322 109.172 108.800 0.083 0.000 2.464 510 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 510 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 510 G C 1.296 176.198 174.900 0.002 0.000 1.218 510 G CA 1.090 46.215 45.100 0.041 0.000 0.794 510 G HN 0.402 nan 8.290 nan 0.000 0.542 511 S N 0.466 116.180 115.700 0.023 0.000 2.743 511 S HA 0.653 5.123 4.470 -0.000 0.000 0.230 511 S C 0.756 175.339 174.600 -0.029 0.000 0.950 511 S CA 0.171 58.375 58.200 0.007 0.000 0.976 511 S CB 0.038 63.258 63.200 0.034 0.000 0.779 511 S HN 0.604 nan 8.310 nan 0.000 0.487 512 A N 1.992 124.745 122.820 -0.111 0.000 2.286 512 A HA 0.818 5.138 4.320 -0.000 0.000 0.286 512 A C 0.077 177.506 177.584 -0.259 0.000 1.097 512 A CA -1.003 50.870 52.037 -0.273 0.000 0.821 512 A CB 0.262 18.887 19.000 -0.626 0.000 1.076 512 A HN 0.936 nan 8.150 nan 0.000 0.490 513 I N -2.813 117.584 120.570 -0.289 0.000 2.752 513 I HA 0.569 4.739 4.170 -0.000 0.000 0.295 513 I C -1.398 174.579 176.117 -0.234 0.000 1.219 513 I CA -0.695 60.483 61.300 -0.202 0.000 1.030 513 I CB 1.888 39.844 38.000 -0.074 0.000 1.259 513 I HN 0.473 nan 8.210 nan 0.000 0.423 514 F N 5.133 125.035 119.950 -0.079 0.000 2.438 514 F HA 0.560 5.087 4.527 -0.000 0.000 0.356 514 F C 0.613 176.395 175.800 -0.030 0.000 1.099 514 F CA -0.283 57.685 58.000 -0.054 0.000 1.185 514 F CB 1.690 40.661 39.000 -0.049 0.000 1.115 514 F HN 0.459 nan 8.300 nan 0.000 0.526 515 V N 1.256 121.290 119.914 0.200 0.000 3.126 515 V HA 0.923 5.043 4.120 -0.000 0.000 0.314 515 V C 0.105 176.287 176.094 0.146 0.000 1.138 515 V CA -0.892 61.485 62.300 0.128 0.000 1.034 515 V CB 1.154 33.029 31.823 0.086 0.000 1.075 515 V HN 0.751 nan 8.190 nan 0.000 0.442 516 G N 0.551 109.424 108.800 0.123 0.000 2.572 516 G HA2 0.271 4.231 3.960 -0.000 0.000 0.261 516 G HA3 0.271 4.231 3.960 -0.000 0.000 0.261 516 G C -0.257 174.766 174.900 0.206 0.000 1.197 516 G CA -0.477 44.719 45.100 0.160 0.000 0.870 516 G HN 0.933 nan 8.290 nan 0.000 0.548 517 N N 0.593 119.417 118.700 0.207 0.000 2.401 517 N HA 0.033 4.773 4.740 -0.000 0.000 0.255 517 N C 1.141 176.734 175.510 0.137 0.000 1.110 517 N CA -0.673 52.460 53.050 0.137 0.000 0.949 517 N CB 1.094 39.630 38.487 0.083 0.000 1.110 517 N HN 0.203 nan 8.380 nan 0.000 0.490 518 I N 3.957 124.565 120.570 0.063 0.000 2.361 518 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 518 I C 1.637 177.707 176.117 -0.078 0.000 1.133 518 I CA 0.874 62.158 61.300 -0.027 0.000 1.413 518 I CB -0.440 37.582 38.000 0.037 0.000 1.073 518 I HN 0.546 nan 8.210 nan 0.000 0.424 519 N N 0.094 118.744 118.700 -0.084 0.000 2.166 519 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 519 N C 1.965 177.455 175.510 -0.034 0.000 1.019 519 N CA 1.481 54.469 53.050 -0.104 0.000 0.856 519 N CB -0.203 38.147 38.487 -0.228 0.000 0.993 519 N HN 0.316 nan 8.380 nan 0.000 0.426 520 S N 0.942 116.633 115.700 -0.015 0.000 2.383 520 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 520 S C 1.929 176.537 174.600 0.013 0.000 1.030 520 S CA 0.970 59.198 58.200 0.047 0.000 1.002 520 S CB -0.157 63.137 63.200 0.156 0.000 0.829 520 S HN 0.396 nan 8.310 nan 0.000 0.467 521 M N 1.323 120.749 119.600 -0.289 0.000 2.065 521 M HA -0.108 4.372 4.480 -0.000 0.000 0.259 521 M C 1.801 178.063 176.300 -0.063 0.000 1.069 521 M CA 1.596 56.629 55.300 -0.445 0.000 1.110 521 M CB -0.365 31.601 32.600 -1.058 0.000 1.328 521 M HN 0.255 nan 8.290 nan 0.000 0.405 522 L N 0.431 121.685 121.223 0.053 0.000 2.127 522 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 522 L C 2.045 179.103 176.870 0.314 0.000 1.089 522 L CA 1.067 56.096 54.840 0.315 0.000 0.757 522 L CB -1.222 41.045 42.059 0.346 0.000 0.899 522 L HN 0.399 nan 8.230 nan 0.000 0.434 523 N N 0.263 119.071 118.700 0.179 0.000 2.062 523 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 523 N C 1.636 177.235 175.510 0.148 0.000 1.042 523 N CA 1.283 54.433 53.050 0.167 0.000 0.845 523 N CB -0.638 37.911 38.487 0.103 0.000 1.024 523 N HN 0.233 nan 8.380 nan 0.000 0.424 524 N N 1.082 119.852 118.700 0.117 0.000 2.094 524 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 524 N C 1.503 177.059 175.510 0.078 0.000 1.023 524 N CA 1.008 54.129 53.050 0.117 0.000 0.857 524 N CB -0.220 38.367 38.487 0.167 0.000 1.013 524 N HN 0.473 nan 8.380 nan 0.000 0.426 525 Q N -1.907 117.870 119.800 -0.038 0.000 2.331 525 Q HA 0.134 4.474 4.340 -0.000 0.000 0.203 525 Q C 0.555 176.340 176.000 -0.358 0.000 0.944 525 Q CA 0.648 56.290 55.803 -0.269 0.000 0.892 525 Q CB 0.290 28.617 28.738 -0.686 0.000 0.983 525 Q HN 0.446 nan 8.270 nan 0.000 0.482 526 F N -2.265 117.944 119.950 0.433 0.000 2.876 526 F HA 0.241 4.768 4.527 -0.000 0.000 0.344 526 F C 0.489 176.594 175.800 0.507 0.000 1.029 526 F CA -0.349 58.025 58.000 0.623 0.000 1.154 526 F CB 1.287 40.694 39.000 0.678 0.000 1.040 526 F HN -0.334 nan 8.300 nan 0.000 0.576 527 S N 1.745 117.697 115.700 0.419 0.000 2.112 527 S HA 0.349 4.819 4.470 -0.000 0.000 0.151 527 S C -2.689 172.005 174.600 0.157 0.000 1.723 527 S CA -1.027 57.345 58.200 0.287 0.000 1.263 527 S CB 0.507 63.859 63.200 0.253 0.000 1.194 527 S HN -0.211 nan 8.310 nan 0.000 0.419 528 P HA 0.235 nan 4.420 nan 0.000 0.275 528 P C 0.928 178.236 177.300 0.013 0.000 1.228 528 P CA -0.365 62.762 63.100 0.044 0.000 0.786 528 P CB 0.826 32.513 31.700 -0.022 0.000 0.927 529 E N 1.363 121.560 120.200 -0.006 0.000 2.007 529 E HA -0.186 4.164 4.350 -0.000 0.000 0.203 529 E C 0.067 176.513 176.600 -0.256 0.000 1.020 529 E CA 1.788 58.093 56.400 -0.160 0.000 0.845 529 E CB -0.260 29.340 29.700 -0.167 0.000 0.779 529 E HN 0.475 nan 8.360 nan 0.000 0.466 530 Y N -0.794 119.501 120.300 -0.009 0.000 2.480 530 Y HA 0.438 4.988 4.550 -0.000 0.000 0.323 530 Y C 0.957 176.833 175.900 -0.041 0.000 1.267 530 Y CA -0.469 57.616 58.100 -0.025 0.000 1.336 530 Y CB 0.617 39.062 38.460 -0.025 0.000 1.361 530 Y HN -0.027 nan 8.280 nan 0.000 0.518 531 G N -0.471 108.408 108.800 0.132 0.000 2.532 531 G HA2 0.367 4.327 3.960 -0.000 0.000 0.291 531 G HA3 0.367 4.327 3.960 -0.000 0.000 0.291 531 G C 0.667 175.578 174.900 0.019 0.000 1.349 531 G CA -0.192 44.931 45.100 0.038 0.000 1.038 531 G HN 0.693 nan 8.290 nan 0.000 0.518 532 V N -3.514 116.398 119.914 -0.004 0.000 3.041 532 V HA 0.129 4.249 4.120 -0.000 0.000 0.260 532 V C 0.869 176.943 176.094 -0.033 0.000 1.105 532 V CA 1.307 63.599 62.300 -0.013 0.000 1.125 532 V CB -1.451 30.380 31.823 0.013 0.000 0.730 532 V HN 0.743 nan 8.190 nan 0.000 0.479 533 Q N 0.658 120.445 119.800 -0.021 0.000 2.448 533 Q HA -0.180 4.160 4.340 -0.000 0.000 0.357 533 Q C 1.033 177.011 176.000 -0.036 0.000 1.443 533 Q CA 0.551 56.334 55.803 -0.033 0.000 0.996 533 Q CB -1.476 27.226 28.738 -0.060 0.000 1.180 533 Q HN 0.740 nan 8.270 nan 0.000 0.338 534 S N -0.841 114.849 115.700 -0.017 0.000 2.470 534 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 534 S C 1.755 176.350 174.600 -0.010 0.000 1.006 534 S CA 0.624 58.817 58.200 -0.011 0.000 0.934 534 S CB 0.301 63.504 63.200 0.004 0.000 0.778 534 S HN 0.783 nan 8.310 nan 0.000 0.517 535 G N 1.522 110.316 108.800 -0.010 0.000 2.422 535 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 535 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 535 G C 0.517 175.408 174.900 -0.014 0.000 1.140 535 G CA 0.240 45.335 45.100 -0.008 0.000 0.775 535 G HN 0.372 nan 8.290 nan 0.000 0.545 536 V N 0.791 120.689 119.914 -0.026 0.000 2.508 536 V HA 0.210 4.329 4.120 -0.000 0.000 0.281 536 V C 1.470 177.549 176.094 -0.025 0.000 1.041 536 V CA -0.162 62.118 62.300 -0.033 0.000 1.016 536 V CB 1.332 33.121 31.823 -0.056 0.000 0.984 536 V HN 0.300 nan 8.190 nan 0.000 0.478 537 R N 2.115 122.609 120.500 -0.010 0.000 2.052 537 R HA -0.007 4.333 4.340 -0.000 0.000 0.224 537 R C 0.722 177.049 176.300 0.045 0.000 1.165 537 R CA 0.727 56.836 56.100 0.014 0.000 0.939 537 R CB -0.012 30.296 30.300 0.013 0.000 0.834 537 R HN 0.816 nan 8.270 nan 0.000 0.435 538 D N 0.532 120.961 120.400 0.048 0.000 2.401 538 D HA -0.023 4.617 4.640 -0.000 0.000 0.254 538 D C 0.514 176.818 176.300 0.007 0.000 1.192 538 D CA 0.423 54.492 54.000 0.114 0.000 0.885 538 D CB 0.776 41.624 40.800 0.080 0.000 1.147 538 D HN 0.065 nan 8.370 nan 0.000 0.478 539 R N 1.632 122.087 120.500 -0.074 0.000 2.115 539 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 539 R C 2.162 178.198 176.300 -0.439 0.000 1.100 539 R CA 1.115 56.950 56.100 -0.443 0.000 0.980 539 R CB -0.130 29.602 30.300 -0.946 0.000 0.875 539 R HN 0.512 nan 8.270 nan 0.000 0.445 540 S N 0.968 116.510 115.700 -0.264 0.000 2.469 540 S HA -0.109 4.361 4.470 -0.000 0.000 0.238 540 S C 1.607 176.141 174.600 -0.110 0.000 0.998 540 S CA 0.977 59.098 58.200 -0.131 0.000 0.957 540 S CB -0.004 63.217 63.200 0.036 0.000 0.764 540 S HN 0.252 nan 8.310 nan 0.000 0.514 541 K N 0.343 120.680 120.400 -0.104 0.000 2.361 541 K HA 0.194 4.514 4.320 -0.000 0.000 0.196 541 K C 0.759 177.277 176.600 -0.137 0.000 1.039 541 K CA -0.033 56.196 56.287 -0.098 0.000 1.001 541 K CB 0.176 32.635 32.500 -0.067 0.000 0.795 541 K HN 0.378 nan 8.250 nan 0.000 0.495 542 R N 0.938 121.330 120.500 -0.180 0.000 2.679 542 R HA 0.089 4.429 4.340 -0.000 0.000 0.269 542 R C 1.181 177.351 176.300 -0.216 0.000 1.076 542 R CA -0.209 55.773 56.100 -0.197 0.000 1.160 542 R CB 0.484 30.646 30.300 -0.230 0.000 1.054 542 R HN -0.142 nan 8.270 nan 0.000 0.507 543 K N 1.710 121.964 120.400 -0.245 0.000 2.167 543 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 543 K C 0.264 176.768 176.600 -0.160 0.000 1.052 543 K CA 1.284 57.393 56.287 -0.296 0.000 0.956 543 K CB 0.193 32.330 32.500 -0.606 0.000 0.735 543 K HN 0.448 nan 8.250 nan 0.000 0.451 544 R N 0.744 121.168 120.500 -0.128 0.000 2.363 544 R HA 0.210 4.550 4.340 -0.000 0.000 0.297 544 R C -2.301 173.881 176.300 -0.197 0.000 1.208 544 R CA -1.547 54.497 56.100 -0.093 0.000 1.121 544 R CB 1.112 31.401 30.300 -0.019 0.000 1.124 544 R HN -0.141 nan 8.270 nan 0.000 0.561 545 P HA -0.111 nan 4.420 nan 0.000 0.214 545 P C -0.265 176.445 177.300 -0.983 0.000 1.162 545 P CA 1.208 63.863 63.100 -0.741 0.000 0.879 545 P CB 0.253 31.505 31.700 -0.747 0.000 0.786 546 F N -3.131 116.767 119.950 -0.087 0.000 2.584 546 F HA 0.362 4.889 4.527 -0.000 0.000 0.328 546 F C -1.841 173.948 175.800 -0.019 0.000 1.407 546 F CA -2.035 55.923 58.000 -0.070 0.000 1.145 546 F CB 0.819 39.766 39.000 -0.088 0.000 1.440 546 F HN -0.077 nan 8.300 nan 0.000 0.580 547 P HA -0.193 nan 4.420 nan 0.000 0.216 547 P C 2.005 179.375 177.300 0.118 0.000 1.154 547 P CA 1.821 64.998 63.100 0.129 0.000 0.865 547 P CB 0.212 32.011 31.700 0.164 0.000 0.789 548 G N -0.107 108.724 108.800 0.052 0.000 2.450 548 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 548 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 548 G C 1.440 176.376 174.900 0.059 0.000 1.130 548 G CA 0.450 45.534 45.100 -0.028 0.000 0.760 548 G HN 0.254 nan 8.290 nan 0.000 0.557 549 L N 0.577 121.858 121.223 0.096 0.000 2.349 549 L HA -0.092 4.248 4.340 -0.000 0.000 0.220 549 L C 3.208 180.146 176.870 0.113 0.000 1.130 549 L CA 0.671 55.564 54.840 0.089 0.000 0.791 549 L CB -0.307 41.802 42.059 0.082 0.000 0.918 549 L HN 0.347 nan 8.230 nan 0.000 0.444 550 A N -0.809 122.101 122.820 0.150 0.000 2.066 550 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 550 A C 2.134 179.837 177.584 0.199 0.000 1.157 550 A CA 0.551 52.688 52.037 0.167 0.000 0.670 550 A CB -0.669 18.448 19.000 0.195 0.000 0.804 550 A HN 0.658 nan 8.150 nan 0.000 0.453 551 W N 0.718 122.017 121.300 -0.002 0.000 2.388 551 W HA -0.161 4.499 4.660 0.000 0.000 0.294 551 W C 2.188 178.712 176.519 0.007 0.000 1.212 551 W CA 1.462 58.798 57.345 -0.014 0.000 1.271 551 W CB -0.094 29.304 29.460 -0.103 0.000 1.126 551 W HN 0.439 nan 8.180 nan 0.000 0.535 552 A N 0.403 123.290 122.820 0.111 0.000 1.933 552 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 552 A C 1.905 179.457 177.584 -0.054 0.000 1.175 552 A CA 2.251 54.297 52.037 0.015 0.000 0.628 552 A CB -1.060 17.958 19.000 0.030 0.000 0.814 552 A HN 0.310 nan 8.150 nan 0.000 0.444 553 S N -1.551 114.127 115.700 -0.037 0.000 2.556 553 S HA 0.159 4.629 4.470 -0.000 0.000 0.216 553 S C 1.608 176.156 174.600 -0.086 0.000 0.970 553 S CA 0.610 58.772 58.200 -0.064 0.000 0.912 553 S CB -0.387 62.787 63.200 -0.042 0.000 0.790 553 S HN 0.538 nan 8.310 nan 0.000 0.504 554 M N 2.180 121.723 119.600 -0.094 0.000 2.065 554 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 554 M C 2.197 178.485 176.300 -0.020 0.000 1.071 554 M CA 2.281 57.568 55.300 -0.022 0.000 1.109 554 M CB -0.280 32.202 32.600 -0.197 0.000 1.313 554 M HN 0.323 nan 8.290 nan 0.000 0.408 555 K N 0.231 120.570 120.400 -0.102 0.000 2.032 555 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 555 K C 1.541 178.009 176.600 -0.220 0.000 1.048 555 K CA 2.147 58.327 56.287 -0.177 0.000 0.927 555 K CB -0.550 31.872 32.500 -0.129 0.000 0.712 555 K HN 0.430 nan 8.250 nan 0.000 0.441 556 D N -0.740 119.561 120.400 -0.165 0.000 2.371 556 D HA -0.039 4.601 4.640 -0.000 0.000 0.234 556 D C 0.333 176.525 176.300 -0.179 0.000 1.049 556 D CA 0.744 54.651 54.000 -0.155 0.000 0.907 556 D CB 0.431 41.156 40.800 -0.125 0.000 0.891 556 D HN 0.347 nan 8.370 nan 0.000 0.531 557 T N -2.057 112.354 114.554 -0.239 0.000 3.340 557 T HA 0.071 4.421 4.350 -0.000 0.000 0.272 557 T C 1.161 175.624 174.700 -0.394 0.000 0.965 557 T CA -0.148 61.738 62.100 -0.357 0.000 1.040 557 T CB 0.168 68.702 68.868 -0.556 0.000 1.183 557 T HN 0.077 nan 8.240 nan 0.000 0.478 558 Y N 0.697 120.945 120.300 -0.087 0.000 2.481 558 Y HA 0.337 4.887 4.550 -0.000 0.000 0.258 558 Y C 2.485 178.179 175.900 -0.344 0.000 1.103 558 Y CA -0.055 58.020 58.100 -0.043 0.000 1.287 558 Y CB 0.185 38.767 38.460 0.204 0.000 1.108 558 Y HN 0.301 nan 8.280 nan 0.000 0.529 559 G N 0.513 108.882 108.800 -0.719 0.000 2.516 559 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 559 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 559 G C 1.730 176.394 174.900 -0.393 0.000 1.107 559 G CA 0.949 45.387 45.100 -1.103 0.000 0.747 559 G HN 0.431 nan 8.290 nan 0.000 0.567 560 A N -0.618 122.086 122.820 -0.192 0.000 2.168 560 A HA 0.170 4.490 4.320 -0.000 0.000 0.215 560 A C 1.231 178.819 177.584 0.008 0.000 1.152 560 A CA 0.414 52.412 52.037 -0.065 0.000 0.716 560 A CB -0.493 18.487 19.000 -0.033 0.000 0.794 560 A HN 0.360 nan 8.150 nan 0.000 0.465 561 C N 0.252 119.583 119.300 0.052 0.000 2.593 561 C HA 0.313 4.773 4.460 -0.000 0.000 0.409 561 C C -0.616 174.435 174.990 0.102 0.000 1.304 561 C CA -0.858 58.223 59.018 0.105 0.000 2.007 561 C CB 0.442 28.282 27.740 0.166 0.000 2.614 561 C HN 0.388 nan 8.230 nan 0.000 0.585 562 P HA -0.170 nan 4.420 nan 0.000 0.218 562 P C 1.051 178.391 177.300 0.066 0.000 1.154 562 P CA 1.671 64.813 63.100 0.070 0.000 0.872 562 P CB -0.047 31.689 31.700 0.059 0.000 0.790 563 I N -6.121 114.454 120.570 0.009 0.000 3.976 563 I HA 0.166 4.336 4.170 -0.000 0.000 0.337 563 I C 1.994 178.074 176.117 -0.062 0.000 1.359 563 I CA -0.326 60.907 61.300 -0.112 0.000 1.098 563 I CB -0.614 37.070 38.000 -0.527 0.000 1.027 563 I HN -0.170 nan 8.210 nan 0.000 0.394 564 Y N 1.879 122.148 120.300 -0.052 0.000 2.062 564 Y HA -0.370 4.180 4.550 -0.000 0.000 0.276 564 Y C 2.691 178.589 175.900 -0.002 0.000 1.189 564 Y CA 2.344 60.436 58.100 -0.014 0.000 1.130 564 Y CB -0.454 38.026 38.460 0.032 0.000 0.959 564 Y HN 0.341 nan 8.280 nan 0.000 0.499 565 S N -0.133 115.592 115.700 0.042 0.000 2.348 565 S HA -0.222 4.248 4.470 -0.000 0.000 0.221 565 S C 1.545 176.106 174.600 -0.064 0.000 1.033 565 S CA 1.851 60.028 58.200 -0.039 0.000 1.010 565 S CB -0.644 62.624 63.200 0.113 0.000 0.891 565 S HN 0.710 nan 8.310 nan 0.000 0.442 566 D N 0.490 120.892 120.400 0.003 0.000 2.116 566 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 566 D C 1.943 178.255 176.300 0.020 0.000 0.998 566 D CA 1.522 55.564 54.000 0.070 0.000 0.836 566 D CB -0.364 40.557 40.800 0.201 0.000 0.951 566 D HN 0.267 nan 8.370 nan 0.000 0.449 567 V N 0.403 120.251 119.914 -0.110 0.000 2.407 567 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 567 V C 2.326 178.392 176.094 -0.046 0.000 1.055 567 V CA 1.124 63.367 62.300 -0.095 0.000 1.049 567 V CB -0.429 31.307 31.823 -0.145 0.000 0.662 567 V HN 0.261 nan 8.190 nan 0.000 0.455 568 L N -0.440 120.701 121.223 -0.136 0.000 2.275 568 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 568 L C 2.505 179.403 176.870 0.048 0.000 1.119 568 L CA 1.483 56.285 54.840 -0.064 0.000 0.790 568 L CB -0.229 41.684 42.059 -0.242 0.000 0.919 568 L HN 0.417 nan 8.230 nan 0.000 0.443 569 E N -0.448 119.767 120.200 0.025 0.000 2.102 569 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 569 E C 2.253 178.876 176.600 0.037 0.000 0.971 569 E CA 0.741 57.166 56.400 0.043 0.000 0.821 569 E CB 0.099 29.820 29.700 0.035 0.000 0.777 569 E HN 0.422 nan 8.360 nan 0.000 0.460 570 A N 1.455 124.304 122.820 0.049 0.000 1.865 570 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 570 A C 2.129 179.731 177.584 0.029 0.000 1.191 570 A CA 1.406 53.441 52.037 -0.003 0.000 0.623 570 A CB -0.821 18.267 19.000 0.147 0.000 0.826 570 A HN 0.288 nan 8.150 nan 0.000 0.444 571 I N -0.695 119.933 120.570 0.097 0.000 2.087 571 I HA -0.347 3.823 4.170 -0.000 0.000 0.240 571 I C 2.630 178.928 176.117 0.301 0.000 1.054 571 I CA 2.180 63.599 61.300 0.198 0.000 1.311 571 I CB -0.361 37.763 38.000 0.207 0.000 1.024 571 I HN 0.531 nan 8.210 nan 0.000 0.402 572 E N 1.028 121.379 120.200 0.252 0.000 2.058 572 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 572 E C 2.225 179.005 176.600 0.300 0.000 0.997 572 E CA 1.693 58.276 56.400 0.304 0.000 0.801 572 E CB -0.198 29.632 29.700 0.216 0.000 0.746 572 E HN 0.229 nan 8.360 nan 0.000 0.450 573 R N -0.398 120.186 120.500 0.141 0.000 2.103 573 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 573 R C 2.369 178.798 176.300 0.216 0.000 1.132 573 R CA 2.231 58.369 56.100 0.063 0.000 0.925 573 R CB -0.907 29.337 30.300 -0.092 0.000 0.842 573 R HN 0.384 nan 8.270 nan 0.000 0.430 574 C N -0.331 119.091 119.300 0.204 0.000 2.422 574 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 574 C C 2.228 177.570 174.990 0.586 0.000 1.305 574 C CA 0.025 59.210 59.018 0.277 0.000 1.757 574 C CB -1.404 26.384 27.740 0.081 0.000 1.962 574 C HN 0.695 nan 8.230 nan 0.000 0.499 575 W N -0.812 120.801 121.300 0.522 0.000 2.848 575 W HA -0.036 4.623 4.660 -0.000 0.000 0.241 575 W C 1.652 178.418 176.519 0.412 0.000 1.289 575 W CA 0.434 57.990 57.345 0.351 0.000 1.396 575 W CB -0.355 29.121 29.460 0.028 0.000 1.138 575 W HN 0.523 nan 8.180 nan 0.000 0.677 576 W N 0.723 122.203 121.300 0.299 0.000 2.678 576 W HA -0.018 4.642 4.660 0.000 0.000 0.282 576 W C 2.065 178.635 176.519 0.085 0.000 1.137 576 W CA 0.900 58.356 57.345 0.185 0.000 1.515 576 W CB -0.778 28.772 29.460 0.150 0.000 1.101 576 W HN -0.297 nan 8.180 nan 0.000 0.564 577 N N 0.262 119.157 118.700 0.324 0.000 2.513 577 N HA -0.121 4.619 4.740 -0.000 0.000 0.187 577 N C 1.248 176.758 175.510 -0.000 0.000 1.056 577 N CA 1.563 54.700 53.050 0.145 0.000 0.907 577 N CB -0.523 38.036 38.487 0.121 0.000 0.954 577 N HN 0.219 nan 8.380 nan 0.000 0.445 578 A N -1.468 121.323 122.820 -0.049 0.000 2.127 578 A HA 0.348 4.667 4.320 -0.000 0.000 0.204 578 A C 1.148 178.346 177.584 -0.643 0.000 1.243 578 A CA -0.086 51.755 52.037 -0.326 0.000 0.887 578 A CB 0.259 19.070 19.000 -0.314 0.000 0.933 578 A HN 0.147 nan 8.150 nan 0.000 0.479 579 F N -1.559 118.180 119.950 -0.351 0.000 2.784 579 F HA 0.363 4.890 4.527 -0.000 0.000 0.323 579 F C 1.932 177.540 175.800 -0.321 0.000 1.085 579 F CA 0.551 58.307 58.000 -0.406 0.000 1.196 579 F CB 0.967 39.553 39.000 -0.690 0.000 1.053 579 F HN 0.341 nan 8.300 nan 0.000 0.578 580 G N 0.530 109.189 108.800 -0.235 0.000 2.480 580 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.246 580 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.246 580 G C 0.723 175.253 174.900 -0.615 0.000 1.073 580 G CA 0.857 45.662 45.100 -0.492 0.000 0.643 580 G HN 0.385 nan 8.290 nan 0.000 0.525 581 E N 0.156 120.233 120.200 -0.204 0.000 4.068 581 E HA 0.477 4.827 4.350 -0.000 0.000 0.355 581 E C 0.493 177.194 176.600 0.168 0.000 1.511 581 E CA 0.373 56.758 56.400 -0.025 0.000 1.957 581 E CB 0.260 30.032 29.700 0.119 0.000 1.345 581 E HN 0.439 nan 8.360 nan 0.000 0.796 582 S N -0.932 114.954 115.700 0.309 0.000 2.659 582 S HA 0.131 4.601 4.470 -0.000 0.000 0.312 582 S C 0.024 174.761 174.600 0.228 0.000 1.114 582 S CA -0.684 57.763 58.200 0.412 0.000 1.063 582 S CB 0.429 63.815 63.200 0.311 0.000 0.996 582 S HN 0.647 nan 8.310 nan 0.000 0.478 583 Y N 5.280 125.603 120.300 0.039 0.000 2.114 583 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 583 Y C 2.507 178.199 175.900 -0.347 0.000 1.165 583 Y CA 2.356 60.168 58.100 -0.480 0.000 1.148 583 Y CB -0.117 38.004 38.460 -0.565 0.000 0.972 583 Y HN 0.822 nan 8.280 nan 0.000 0.504 584 R N 0.406 120.827 120.500 -0.132 0.000 2.117 584 R HA -0.231 4.109 4.340 -0.000 0.000 0.243 584 R C 2.226 178.327 176.300 -0.332 0.000 1.143 584 R CA 1.538 57.526 56.100 -0.186 0.000 0.968 584 R CB -0.592 29.776 30.300 0.114 0.000 0.863 584 R HN 0.448 nan 8.270 nan 0.000 0.444 585 A N 0.027 122.739 122.820 -0.179 0.000 1.855 585 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 585 A C 2.046 179.450 177.584 -0.299 0.000 1.191 585 A CA 1.283 53.221 52.037 -0.165 0.000 0.613 585 A CB -1.106 17.877 19.000 -0.028 0.000 0.829 585 A HN 0.601 nan 8.150 nan 0.000 0.442 586 Y N 0.640 120.678 120.300 -0.437 0.000 2.139 586 Y HA -0.277 4.272 4.550 -0.000 0.000 0.282 586 Y C 2.423 177.863 175.900 -0.766 0.000 1.179 586 Y CA 2.312 60.098 58.100 -0.523 0.000 1.161 586 Y CB -0.115 38.026 38.460 -0.532 0.000 0.970 586 Y HN 0.154 nan 8.280 nan 0.000 0.511 587 R N 0.453 120.217 120.500 -1.226 0.000 2.093 587 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 587 R C 2.151 177.739 176.300 -1.187 0.000 1.101 587 R CA 1.508 56.654 56.100 -1.590 0.000 0.979 587 R CB -0.588 28.076 30.300 -2.728 0.000 0.877 587 R HN 0.546 nan 8.270 nan 0.000 0.441 588 E N 0.109 119.771 120.200 -0.898 0.000 2.274 588 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 588 E C 1.111 177.507 176.600 -0.341 0.000 0.996 588 E CA 0.828 56.948 56.400 -0.466 0.000 0.840 588 E CB 0.027 29.583 29.700 -0.240 0.000 0.772 588 E HN 0.212 nan 8.360 nan 0.000 0.491 589 D N 0.314 120.473 120.400 -0.402 0.000 2.123 589 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 589 D C 1.811 177.913 176.300 -0.329 0.000 0.976 589 D CA 0.796 54.614 54.000 -0.304 0.000 0.831 589 D CB 0.097 40.727 40.800 -0.284 0.000 0.974 589 D HN 0.029 nan 8.370 nan 0.000 0.469 590 M N -0.116 119.182 119.600 -0.503 0.000 2.117 590 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 590 M C 2.036 178.182 176.300 -0.258 0.000 1.065 590 M CA 1.105 56.147 55.300 -0.430 0.000 1.114 590 M CB -0.035 32.185 32.600 -0.633 0.000 1.361 590 M HN 0.115 nan 8.290 nan 0.000 0.408 591 L N 0.103 121.170 121.223 -0.259 0.000 1.970 591 L HA -0.313 4.027 4.340 -0.000 0.000 0.212 591 L C 2.460 179.283 176.870 -0.079 0.000 1.071 591 L CA 1.834 56.606 54.840 -0.113 0.000 0.751 591 L CB -0.455 41.577 42.059 -0.045 0.000 0.889 591 L HN 0.327 nan 8.230 nan 0.000 0.432 592 K N -0.463 119.881 120.400 -0.093 0.000 2.044 592 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 592 K C 2.221 178.788 176.600 -0.054 0.000 1.049 592 K CA 1.733 57.981 56.287 -0.064 0.000 0.927 592 K CB -0.065 32.395 32.500 -0.066 0.000 0.713 592 K HN 0.211 nan 8.250 nan 0.000 0.443 593 R N 0.543 121.002 120.500 -0.067 0.000 2.103 593 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 593 R C 1.823 178.122 176.300 -0.002 0.000 1.132 593 R CA 2.279 58.355 56.100 -0.038 0.000 0.925 593 R CB -0.267 30.000 30.300 -0.056 0.000 0.842 593 R HN 0.245 nan 8.270 nan 0.000 0.430 594 D N -0.961 119.443 120.400 0.007 0.000 2.310 594 D HA -0.074 4.566 4.640 -0.000 0.000 0.212 594 D C 1.543 177.828 176.300 -0.024 0.000 0.965 594 D CA 1.008 55.051 54.000 0.072 0.000 0.879 594 D CB -0.096 40.791 40.800 0.145 0.000 0.921 594 D HN 0.221 nan 8.370 nan 0.000 0.510 595 T N 0.449 114.975 114.554 -0.046 0.000 2.821 595 T HA -0.023 4.327 4.350 -0.000 0.000 0.267 595 T C 2.034 176.691 174.700 -0.070 0.000 1.046 595 T CA 0.570 62.623 62.100 -0.078 0.000 1.139 595 T CB -0.025 68.811 68.868 -0.053 0.000 0.871 595 T HN 0.152 nan 8.240 nan 0.000 0.454 596 L N 0.522 121.726 121.223 -0.032 0.000 2.007 596 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 596 L C 2.752 179.631 176.870 0.015 0.000 1.073 596 L CA 1.231 56.063 54.840 -0.013 0.000 0.744 596 L CB -0.726 41.333 42.059 -0.001 0.000 0.898 596 L HN 0.150 nan 8.230 nan 0.000 0.435 597 E N 0.903 121.141 120.200 0.062 0.000 2.136 597 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 597 E C 2.003 178.732 176.600 0.216 0.000 1.019 597 E CA 1.477 57.991 56.400 0.189 0.000 0.819 597 E CB -0.436 29.425 29.700 0.269 0.000 0.739 597 E HN 0.258 nan 8.360 nan 0.000 0.458 598 L N 0.493 121.637 121.223 -0.132 0.000 2.043 598 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 598 L C 2.230 179.054 176.870 -0.076 0.000 1.075 598 L CA 2.613 57.163 54.840 -0.482 0.000 0.752 598 L CB -1.038 40.623 42.059 -0.664 0.000 0.891 598 L HN 0.288 nan 8.230 nan 0.000 0.432 599 S N -0.939 114.737 115.700 -0.041 0.000 2.419 599 S HA -0.249 4.221 4.470 -0.000 0.000 0.233 599 S C 2.152 176.758 174.600 0.009 0.000 1.016 599 S CA 1.043 59.231 58.200 -0.020 0.000 0.974 599 S CB -0.795 62.387 63.200 -0.030 0.000 0.786 599 S HN 0.624 nan 8.310 nan 0.000 0.492 600 R N -0.250 120.270 120.500 0.032 0.000 2.276 600 R HA 0.041 4.381 4.340 -0.000 0.000 0.203 600 R C 0.577 176.765 176.300 -0.187 0.000 1.017 600 R CA 0.691 56.736 56.100 -0.093 0.000 1.010 600 R CB -0.129 30.071 30.300 -0.166 0.000 0.900 600 R HN 0.575 nan 8.270 nan 0.000 0.469 601 Y N -0.840 119.465 120.300 0.008 0.000 2.458 601 Y HA 0.215 4.765 4.550 -0.000 0.000 0.256 601 Y C -0.123 175.779 175.900 0.003 0.000 1.159 601 Y CA -0.193 57.931 58.100 0.040 0.000 1.261 601 Y CB 1.262 39.809 38.460 0.146 0.000 1.119 601 Y HN -0.240 nan 8.280 nan 0.000 0.524 602 V N 0.118 120.082 119.914 0.083 0.000 2.409 602 V HA 0.452 4.572 4.120 -0.000 0.000 0.290 602 V C 0.700 176.798 176.094 0.007 0.000 1.017 602 V CA -0.539 61.783 62.300 0.036 0.000 0.841 602 V CB 0.930 32.755 31.823 0.005 0.000 1.003 602 V HN 0.244 nan 8.190 nan 0.000 0.426 603 A N 3.556 126.381 122.820 0.009 0.000 1.845 603 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 603 A C 2.219 179.801 177.584 -0.004 0.000 1.195 603 A CA 2.223 54.258 52.037 -0.002 0.000 0.616 603 A CB -0.565 18.437 19.000 0.003 0.000 0.832 603 A HN 0.725 nan 8.150 nan 0.000 0.443 604 S N -1.156 114.545 115.700 0.001 0.000 2.484 604 S HA -0.179 4.291 4.470 -0.000 0.000 0.250 604 S C 1.698 176.291 174.600 -0.012 0.000 0.995 604 S CA 1.774 59.971 58.200 -0.004 0.000 0.967 604 S CB -0.279 62.921 63.200 0.000 0.000 0.752 604 S HN 0.690 nan 8.310 nan 0.000 0.517 605 M N -0.112 119.479 119.600 -0.015 0.000 2.879 605 M HA 0.410 4.890 4.480 -0.000 0.000 0.241 605 M C 0.610 176.895 176.300 -0.024 0.000 1.523 605 M CA 0.996 56.282 55.300 -0.024 0.000 1.195 605 M CB 0.068 32.648 32.600 -0.033 0.000 1.277 605 M HN 0.200 nan 8.290 nan 0.000 0.557 606 A N 1.586 124.393 122.820 -0.022 0.000 6.500 606 A HA -0.261 4.059 4.320 -0.000 0.000 0.250 606 A C 0.148 177.716 177.584 -0.026 0.000 2.143 606 A CA 0.971 52.994 52.037 -0.024 0.000 0.705 606 A CB -1.178 17.809 19.000 -0.022 0.000 1.015 606 A HN 0.689 nan 8.150 nan 0.000 0.374 607 R N 0.283 120.768 120.500 -0.024 0.000 2.823 607 R HA 0.060 4.400 4.340 -0.000 0.000 0.250 607 R C 0.688 176.974 176.300 -0.024 0.000 1.332 607 R CA 0.443 56.529 56.100 -0.024 0.000 1.259 607 R CB -0.107 30.182 30.300 -0.020 0.000 1.225 607 R HN 0.636 nan 8.270 nan 0.000 0.545 608 Q N 0.251 120.035 119.800 -0.026 0.000 3.071 608 Q HA 0.281 4.621 4.340 -0.000 0.000 0.204 608 Q C 0.399 176.383 176.000 -0.027 0.000 1.165 608 Q CA -0.490 55.298 55.803 -0.024 0.000 0.372 608 Q CB -0.649 28.075 28.738 -0.023 0.000 5.650 608 Q HN 0.096 nan 8.270 nan 0.000 0.309 609 A N 1.866 124.670 122.820 -0.026 0.000 3.132 609 A HA 0.262 4.582 4.320 -0.000 0.000 0.288 609 A C 1.278 178.843 177.584 -0.032 0.000 1.959 609 A CA 0.868 52.889 52.037 -0.027 0.000 1.374 609 A CB -1.904 17.081 19.000 -0.025 0.000 0.918 609 A HN 0.652 nan 8.150 nan 0.000 0.594 610 G N 1.257 110.038 108.800 -0.032 0.000 3.025 610 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.529 610 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.529 610 G C 0.854 175.726 174.900 -0.046 0.000 0.974 610 G CA 1.489 46.566 45.100 -0.037 0.000 0.795 610 G HN 1.062 nan 8.290 nan 0.000 0.992 611 L N 1.169 122.366 121.223 -0.043 0.000 2.766 611 L HA 0.487 4.827 4.340 -0.000 0.000 0.242 611 L C 2.826 179.668 176.870 -0.047 0.000 1.136 611 L CA 0.794 55.603 54.840 -0.051 0.000 0.933 611 L CB 0.178 42.208 42.059 -0.047 0.000 1.241 611 L HN 0.594 nan 8.230 nan 0.000 0.522 612 A N 0.803 123.599 122.820 -0.040 0.000 1.969 612 A HA -0.295 4.025 4.320 -0.000 0.000 0.223 612 A C 2.256 179.814 177.584 -0.043 0.000 1.218 612 A CA 2.263 54.277 52.037 -0.038 0.000 0.667 612 A CB -0.281 18.700 19.000 -0.032 0.000 0.826 612 A HN 0.483 nan 8.150 nan 0.000 0.472 613 E N -0.052 120.121 120.200 -0.046 0.000 2.028 613 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 613 E C 0.840 177.406 176.600 -0.057 0.000 0.984 613 E CA 0.246 56.617 56.400 -0.048 0.000 0.800 613 E CB -0.567 29.106 29.700 -0.045 0.000 0.758 613 E HN 0.669 nan 8.360 nan 0.000 0.448 614 L N 2.228 123.413 121.223 -0.062 0.000 2.516 614 L HA -0.023 4.317 4.340 -0.000 0.000 0.288 614 L C 1.293 178.113 176.870 -0.083 0.000 1.246 614 L CA 0.100 54.896 54.840 -0.073 0.000 0.844 614 L CB -0.290 41.725 42.059 -0.074 0.000 1.106 614 L HN 0.174 nan 8.230 nan 0.000 0.509 615 T N -1.218 113.274 114.554 -0.104 0.000 2.810 615 T HA 0.294 4.644 4.350 -0.000 0.000 0.277 615 T C -1.826 172.791 174.700 -0.138 0.000 0.973 615 T CA -1.598 60.425 62.100 -0.129 0.000 0.949 615 T CB 1.449 70.217 68.868 -0.167 0.000 1.075 615 T HN 0.381 nan 8.240 nan 0.000 0.537 616 P HA 0.134 nan 4.420 nan 0.000 0.217 616 P C 1.705 178.892 177.300 -0.189 0.000 1.151 616 P CA 0.693 63.703 63.100 -0.149 0.000 0.828 616 P CB -0.043 31.566 31.700 -0.151 0.000 0.788 617 I N -0.074 120.301 120.570 -0.325 0.000 2.133 617 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 617 I C 1.792 177.729 176.117 -0.300 0.000 1.074 617 I CA 1.679 62.652 61.300 -0.544 0.000 1.342 617 I CB -0.809 36.607 38.000 -0.973 0.000 1.053 617 I HN -0.103 nan 8.210 nan 0.000 0.404 618 D N 0.942 121.203 120.400 -0.233 0.000 2.200 618 D HA -0.239 4.401 4.640 -0.000 0.000 0.192 618 D C 2.170 178.438 176.300 -0.053 0.000 1.008 618 D CA 1.488 55.417 54.000 -0.120 0.000 0.872 618 D CB -0.398 40.340 40.800 -0.103 0.000 0.923 618 D HN 0.298 nan 8.370 nan 0.000 0.447 619 L N 0.436 121.627 121.223 -0.053 0.000 2.005 619 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 619 L C 2.455 179.357 176.870 0.053 0.000 1.072 619 L CA 1.001 55.840 54.840 -0.003 0.000 0.744 619 L CB -0.482 41.571 42.059 -0.011 0.000 0.895 619 L HN -0.026 nan 8.230 nan 0.000 0.433 620 E N 0.139 120.378 120.200 0.066 0.000 2.114 620 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 620 E C 2.316 179.029 176.600 0.190 0.000 1.008 620 E CA 1.331 57.828 56.400 0.162 0.000 0.810 620 E CB -0.417 29.453 29.700 0.285 0.000 0.739 620 E HN 0.299 nan 8.360 nan 0.000 0.456 621 V N 1.429 121.449 119.914 0.176 0.000 2.261 621 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 621 V C 2.577 178.735 176.094 0.108 0.000 1.047 621 V CA 1.436 63.830 62.300 0.156 0.000 1.015 621 V CB -0.477 31.417 31.823 0.118 0.000 0.642 621 V HN 0.222 nan 8.190 nan 0.000 0.446 622 L N -0.040 121.245 121.223 0.104 0.000 2.187 622 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 622 L C 2.454 179.424 176.870 0.166 0.000 1.100 622 L CA 1.452 56.386 54.840 0.156 0.000 0.765 622 L CB -0.569 41.585 42.059 0.158 0.000 0.904 622 L HN 0.395 nan 8.230 nan 0.000 0.437 623 A N -1.291 121.610 122.820 0.136 0.000 2.123 623 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 623 A C 0.296 177.935 177.584 0.091 0.000 1.152 623 A CA 0.928 53.040 52.037 0.125 0.000 0.728 623 A CB -0.029 19.054 19.000 0.139 0.000 0.814 623 A HN 0.430 nan 8.150 nan 0.000 0.464 624 D N -2.448 118.002 120.400 0.083 0.000 2.266 624 D HA 0.205 4.845 4.640 -0.000 0.000 0.218 624 D C -2.923 173.400 176.300 0.039 0.000 1.311 624 D CA -0.779 53.258 54.000 0.063 0.000 0.918 624 D CB 0.889 41.745 40.800 0.093 0.000 1.530 624 D HN -0.114 nan 8.370 nan 0.000 0.514 625 P HA 0.136 nan 4.420 nan 0.000 0.245 625 P C 0.829 178.098 177.300 -0.053 0.000 1.212 625 P CA 0.218 63.312 63.100 -0.009 0.000 0.774 625 P CB 0.091 31.778 31.700 -0.022 0.000 0.999 626 N N 0.257 118.926 118.700 -0.051 0.000 2.520 626 N HA -0.080 4.660 4.740 -0.000 0.000 0.185 626 N C 1.124 176.396 175.510 -0.398 0.000 1.068 626 N CA 0.542 53.539 53.050 -0.087 0.000 0.911 626 N CB 0.038 38.570 38.487 0.075 0.000 0.961 626 N HN 0.250 nan 8.380 nan 0.000 0.446 627 K N 0.281 120.425 120.400 -0.427 0.000 2.487 627 K HA 0.049 4.369 4.320 -0.000 0.000 0.192 627 K C 0.823 177.119 176.600 -0.506 0.000 1.027 627 K CA 0.143 55.956 56.287 -0.790 0.000 1.054 627 K CB 0.390 32.600 32.500 -0.483 0.000 0.824 627 K HN 0.113 nan 8.250 nan 0.000 0.510 628 L N 0.811 121.887 121.223 -0.246 0.000 2.591 628 L HA 0.018 4.357 4.340 -0.000 0.000 0.228 628 L C 1.324 178.107 176.870 -0.145 0.000 1.133 628 L CA 1.260 56.036 54.840 -0.106 0.000 0.880 628 L CB -0.173 41.885 42.059 -0.001 0.000 1.033 628 L HN 0.168 nan 8.230 nan 0.000 0.450 629 Q N -1.131 118.508 119.800 -0.269 0.000 2.219 629 Q HA 0.090 4.430 4.340 -0.000 0.000 0.209 629 Q C 0.582 176.543 176.000 -0.065 0.000 0.854 629 Q CA 0.158 55.885 55.803 -0.125 0.000 0.960 629 Q CB 0.850 29.561 28.738 -0.045 0.000 1.116 629 Q HN 0.705 nan 8.270 nan 0.000 0.500 630 Y N -3.986 116.250 120.300 -0.106 0.000 2.592 630 Y HA 0.328 4.878 4.550 -0.000 0.000 0.309 630 Y C 1.427 177.178 175.900 -0.249 0.000 0.928 630 Y CA -0.225 57.787 58.100 -0.146 0.000 0.941 630 Y CB -0.108 38.267 38.460 -0.142 0.000 1.422 630 Y HN -0.148 nan 8.280 nan 0.000 0.579 631 K N -0.032 120.077 120.400 -0.484 0.000 2.159 631 K HA 0.223 4.543 4.320 -0.000 0.000 0.210 631 K C 0.176 176.402 176.600 -0.624 0.000 1.026 631 K CA 0.881 56.784 56.287 -0.640 0.000 0.959 631 K CB 0.361 32.133 32.500 -1.213 0.000 0.890 631 K HN 0.182 nan 8.250 nan 0.000 0.459 632 W N -0.377 120.768 121.300 -0.257 0.000 3.330 632 W HA 0.446 5.106 4.660 -0.000 0.000 0.364 632 W C 0.029 176.395 176.519 -0.255 0.000 1.369 632 W CA -0.671 56.509 57.345 -0.275 0.000 1.094 632 W CB 0.291 29.621 29.460 -0.217 0.000 1.857 632 W HN -0.037 nan 8.180 nan 0.000 0.646 633 T N -0.836 113.745 114.554 0.045 0.000 2.841 633 T HA 0.132 4.482 4.350 -0.000 0.000 0.296 633 T C 0.695 175.401 174.700 0.011 0.000 1.166 633 T CA -0.390 61.699 62.100 -0.019 0.000 1.007 633 T CB 1.740 70.518 68.868 -0.149 0.000 1.253 633 T HN 0.487 nan 8.240 nan 0.000 0.511 634 E N 0.951 121.161 120.200 0.017 0.000 2.114 634 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 634 E C 1.960 178.478 176.600 -0.136 0.000 1.008 634 E CA 1.907 58.251 56.400 -0.093 0.000 0.810 634 E CB -0.395 29.194 29.700 -0.185 0.000 0.739 634 E HN 0.668 nan 8.360 nan 0.000 0.456 635 A N 0.873 123.651 122.820 -0.070 0.000 2.019 635 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 635 A C 1.616 179.159 177.584 -0.068 0.000 1.164 635 A CA 1.734 53.737 52.037 -0.056 0.000 0.644 635 A CB -0.307 18.702 19.000 0.014 0.000 0.805 635 A HN 0.301 nan 8.150 nan 0.000 0.449 636 D N -0.754 119.598 120.400 -0.079 0.000 2.347 636 D HA 0.095 4.735 4.640 -0.000 0.000 0.215 636 D C 0.412 176.587 176.300 -0.209 0.000 0.976 636 D CA 0.506 54.408 54.000 -0.162 0.000 0.884 636 D CB 0.068 40.725 40.800 -0.237 0.000 0.915 636 D HN 0.242 nan 8.370 nan 0.000 0.526 637 V N 0.498 120.332 119.914 -0.133 0.000 2.732 637 V HA 0.245 4.365 4.120 -0.000 0.000 0.310 637 V C 0.524 176.571 176.094 -0.079 0.000 1.053 637 V CA -1.005 61.233 62.300 -0.104 0.000 0.957 637 V CB 2.018 33.839 31.823 -0.004 0.000 1.018 637 V HN -0.148 nan 8.190 nan 0.000 0.452 638 S N 2.370 118.031 115.700 -0.065 0.000 2.525 638 S HA 0.189 4.658 4.470 -0.000 0.000 0.285 638 S C 1.450 176.047 174.600 -0.006 0.000 1.283 638 S CA 0.161 58.333 58.200 -0.046 0.000 1.072 638 S CB 1.085 64.257 63.200 -0.046 0.000 0.867 638 S HN 1.045 nan 8.310 nan 0.000 0.492 639 A N 3.771 126.578 122.820 -0.022 0.000 2.084 639 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 639 A C 1.866 179.484 177.584 0.057 0.000 1.161 639 A CA 1.944 53.981 52.037 0.000 0.000 0.653 639 A CB -0.636 18.346 19.000 -0.029 0.000 0.802 639 A HN 0.914 nan 8.150 nan 0.000 0.457 640 N N -1.153 117.568 118.700 0.036 0.000 2.405 640 N HA 0.011 4.751 4.740 -0.000 0.000 0.175 640 N C 1.084 176.624 175.510 0.051 0.000 1.051 640 N CA 0.699 53.773 53.050 0.040 0.000 0.899 640 N CB -0.161 38.334 38.487 0.014 0.000 1.000 640 N HN 0.264 nan 8.380 nan 0.000 0.451 641 I N 0.835 121.434 120.570 0.049 0.000 2.617 641 I HA -0.096 4.074 4.170 -0.000 0.000 0.256 641 I C 2.162 178.333 176.117 0.090 0.000 1.167 641 I CA 0.832 62.161 61.300 0.048 0.000 1.469 641 I CB -1.287 36.723 38.000 0.018 0.000 1.098 641 I HN 0.404 nan 8.210 nan 0.000 0.436 642 H N 1.762 120.837 119.070 0.009 0.000 2.352 642 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 642 H C 1.409 176.762 175.328 0.041 0.000 1.097 642 H CA 1.716 57.775 56.048 0.019 0.000 1.311 642 H CB 0.433 30.201 29.762 0.009 0.000 1.377 642 H HN 0.438 nan 8.280 nan 0.000 0.504 643 E N 0.127 120.377 120.200 0.082 0.000 2.472 643 E HA -0.061 4.289 4.350 -0.000 0.000 0.200 643 E C 2.095 178.725 176.600 0.050 0.000 1.046 643 E CA 0.445 56.880 56.400 0.057 0.000 0.871 643 E CB 0.285 30.043 29.700 0.097 0.000 0.806 643 E HN 0.269 nan 8.360 nan 0.000 0.533 644 V N 0.607 120.549 119.914 0.047 0.000 2.788 644 V HA -0.093 4.027 4.120 -0.000 0.000 0.251 644 V C 1.757 177.880 176.094 0.048 0.000 1.068 644 V CA 1.136 63.487 62.300 0.085 0.000 1.090 644 V CB -0.039 31.851 31.823 0.112 0.000 0.710 644 V HN 0.297 nan 8.190 nan 0.000 0.467 645 L N -1.421 119.786 121.223 -0.026 0.000 2.672 645 L HA 0.326 4.666 4.340 -0.000 0.000 0.236 645 L C 0.350 177.152 176.870 -0.113 0.000 1.092 645 L CA 0.237 55.041 54.840 -0.060 0.000 0.887 645 L CB 0.435 42.459 42.059 -0.059 0.000 1.168 645 L HN 0.239 nan 8.230 nan 0.000 0.502 646 M N -1.268 118.222 119.600 -0.182 0.000 2.658 646 M HA 0.440 4.920 4.480 -0.000 0.000 0.295 646 M C -1.051 175.250 176.300 0.001 0.000 1.248 646 M CA -0.311 54.888 55.300 -0.168 0.000 0.843 646 M CB 2.097 34.430 32.600 -0.445 0.000 1.749 646 M HN -0.090 nan 8.290 nan 0.000 0.464 647 H N -0.560 118.478 119.070 -0.053 0.000 2.974 647 H HA 0.630 5.186 4.556 -0.000 0.000 0.366 647 H C -1.245 174.097 175.328 0.024 0.000 1.155 647 H CA -0.232 55.812 56.048 -0.007 0.000 1.186 647 H CB 2.281 32.041 29.762 -0.005 0.000 1.799 647 H HN 0.846 nan 8.280 nan 0.000 0.541 648 G N 1.786 110.343 108.800 -0.405 0.000 2.552 648 G HA2 0.472 4.431 3.960 -0.000 0.000 0.318 648 G HA3 0.472 4.431 3.960 -0.000 0.000 0.318 648 G C -0.812 173.973 174.900 -0.191 0.000 1.240 648 G CA -0.481 44.505 45.100 -0.191 0.000 1.002 648 G HN 0.384 nan 8.290 nan 0.000 0.493 649 V N 0.614 120.495 119.914 -0.056 0.000 2.532 649 V HA 0.378 4.497 4.120 -0.000 0.000 0.295 649 V C 0.828 176.905 176.094 -0.028 0.000 1.041 649 V CA -0.537 61.752 62.300 -0.018 0.000 0.926 649 V CB 1.455 33.289 31.823 0.017 0.000 0.992 649 V HN 1.105 nan 8.190 nan 0.000 0.457 650 S N 3.582 119.274 115.700 -0.014 0.000 2.593 650 S HA -0.031 4.439 4.470 -0.000 0.000 0.303 650 S C 1.013 175.614 174.600 0.002 0.000 1.267 650 S CA -0.083 58.114 58.200 -0.006 0.000 1.047 650 S CB 0.466 63.672 63.200 0.011 0.000 0.777 650 S HN 0.518 nan 8.310 nan 0.000 0.498 651 V N 2.279 122.194 119.914 0.002 0.000 2.719 651 V HA -0.051 4.069 4.120 -0.000 0.000 0.252 651 V C 2.498 178.606 176.094 0.022 0.000 1.065 651 V CA 1.759 64.066 62.300 0.012 0.000 1.086 651 V CB -1.263 30.564 31.823 0.006 0.000 0.700 651 V HN 0.844 nan 8.190 nan 0.000 0.467 652 E N 0.797 121.009 120.200 0.020 0.000 2.085 652 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 652 E C 2.236 178.861 176.600 0.041 0.000 0.994 652 E CA 1.472 57.888 56.400 0.026 0.000 0.801 652 E CB -0.255 29.458 29.700 0.021 0.000 0.743 652 E HN 0.552 nan 8.360 nan 0.000 0.453 653 K N -0.520 119.904 120.400 0.041 0.000 2.062 653 K HA -0.069 4.250 4.320 -0.000 0.000 0.205 653 K C 2.310 178.964 176.600 0.090 0.000 1.051 653 K CA 1.642 57.962 56.287 0.055 0.000 0.941 653 K CB -0.196 32.324 32.500 0.032 0.000 0.719 653 K HN 0.296 nan 8.250 nan 0.000 0.440 654 T N -0.979 113.619 114.554 0.074 0.000 2.867 654 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 654 T C 1.865 176.665 174.700 0.166 0.000 1.057 654 T CA 1.169 63.342 62.100 0.122 0.000 1.136 654 T CB -0.056 68.856 68.868 0.073 0.000 0.874 654 T HN 0.276 nan 8.240 nan 0.000 0.466 655 E N 1.297 121.555 120.200 0.096 0.000 2.047 655 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 655 E C 2.522 179.163 176.600 0.068 0.000 0.987 655 E CA 0.747 57.186 56.400 0.065 0.000 0.799 655 E CB -0.144 29.576 29.700 0.034 0.000 0.752 655 E HN 0.567 nan 8.360 nan 0.000 0.449 656 R N -0.311 120.240 120.500 0.085 0.000 2.073 656 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 656 R C 2.269 178.637 176.300 0.114 0.000 1.134 656 R CA 1.620 57.768 56.100 0.079 0.000 0.952 656 R CB -0.554 29.794 30.300 0.079 0.000 0.850 656 R HN 0.269 nan 8.270 nan 0.000 0.433 657 F N 1.183 121.153 119.950 0.034 0.000 2.026 657 F HA -0.248 4.279 4.527 -0.000 0.000 0.296 657 F C 1.927 177.751 175.800 0.041 0.000 1.133 657 F CA 1.652 59.694 58.000 0.071 0.000 1.188 657 F CB -0.713 38.337 39.000 0.083 0.000 0.968 657 F HN 0.104 nan 8.300 nan 0.000 0.476 658 L N 1.230 122.464 121.223 0.018 0.000 2.127 658 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 658 L C 2.586 179.306 176.870 -0.249 0.000 1.089 658 L CA 1.994 56.723 54.840 -0.186 0.000 0.757 658 L CB -0.969 41.079 42.059 -0.018 0.000 0.899 658 L HN 0.300 nan 8.230 nan 0.000 0.434 659 R N -1.039 119.380 120.500 -0.135 0.000 2.193 659 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 659 R C 2.137 178.350 176.300 -0.145 0.000 1.110 659 R CA 1.339 57.367 56.100 -0.121 0.000 0.988 659 R CB -0.159 30.108 30.300 -0.055 0.000 0.871 659 R HN 0.599 nan 8.270 nan 0.000 0.458 660 S N -1.512 114.092 115.700 -0.161 0.000 2.524 660 S HA 0.053 4.523 4.470 -0.000 0.000 0.216 660 S C 1.648 176.139 174.600 -0.181 0.000 0.987 660 S CA 0.259 58.412 58.200 -0.078 0.000 0.909 660 S CB 0.574 63.813 63.200 0.065 0.000 0.781 660 S HN 0.114 nan 8.310 nan 0.000 0.521 661 V N 1.524 121.168 119.914 -0.450 0.000 2.436 661 V HA 0.220 4.340 4.120 -0.000 0.000 0.240 661 V C 1.539 177.175 176.094 -0.763 0.000 1.040 661 V CA 1.045 62.913 62.300 -0.719 0.000 1.052 661 V CB -0.436 30.778 31.823 -1.016 0.000 0.707 661 V HN 0.431 nan 8.190 nan 0.000 0.469 662 M N 0.034 119.213 119.600 -0.701 0.000 1.921 662 M HA 0.277 4.757 4.480 -0.000 0.000 0.243 662 M C -2.002 174.026 176.300 -0.453 0.000 1.280 662 M CA -1.023 53.822 55.300 -0.758 0.000 0.988 662 M CB -0.194 32.086 32.600 -0.534 0.000 1.336 662 M HN 0.100 nan 8.290 nan 0.000 0.496 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.992 63.100 -0.180 0.000 0.800 663 P CB 0.000 31.631 31.700 -0.115 0.000 0.726