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 2wof_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALKK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.471 176.300 0.286 0.000 1.140 7 M CA 0.000 55.393 55.300 0.154 0.000 0.988 7 M CB 0.000 32.669 32.600 0.116 0.000 1.302 8 V N 2.909 123.024 119.914 0.334 0.000 3.147 8 V HA 0.750 4.870 4.120 -0.000 0.000 0.306 8 V C -2.426 173.558 176.094 -0.184 0.000 1.209 8 V CA -1.360 61.047 62.300 0.179 0.000 1.023 8 V CB 3.525 35.363 31.823 0.025 0.000 1.059 8 V HN 0.678 nan 8.190 nan 0.000 0.435 9 P HA 0.271 nan 4.420 nan 0.000 0.286 9 P C 0.413 177.337 177.300 -0.628 0.000 1.269 9 P CA -0.263 62.118 63.100 -1.199 0.000 0.787 9 P CB 1.183 32.112 31.700 -1.285 0.000 0.920 10 M N 3.063 122.300 119.600 -0.605 0.000 2.059 10 M HA -0.206 4.273 4.480 -0.000 0.000 0.259 10 M C 1.060 177.163 176.300 -0.328 0.000 1.072 10 M CA 2.249 57.270 55.300 -0.464 0.000 1.117 10 M CB -0.690 31.560 32.600 -0.584 0.000 1.320 10 M HN 0.189 nan 8.290 nan 0.000 0.408 11 D N 0.085 120.302 120.400 -0.305 0.000 2.104 11 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 11 D C 1.947 178.162 176.300 -0.142 0.000 0.994 11 D CA 1.767 55.662 54.000 -0.176 0.000 0.830 11 D CB -0.077 40.642 40.800 -0.135 0.000 0.959 11 D HN 0.376 nan 8.370 nan 0.000 0.452 12 K N -0.231 120.058 120.400 -0.185 0.000 2.002 12 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 12 K C 1.897 178.437 176.600 -0.100 0.000 1.048 12 K CA 1.649 57.854 56.287 -0.136 0.000 0.930 12 K CB -0.124 32.279 32.500 -0.162 0.000 0.714 12 K HN 0.056 nan 8.250 nan 0.000 0.438 13 T N 2.450 116.928 114.554 -0.127 0.000 2.652 13 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 13 T C 1.743 176.438 174.700 -0.009 0.000 1.039 13 T CA 1.170 63.226 62.100 -0.073 0.000 1.153 13 T CB -0.159 68.647 68.868 -0.104 0.000 0.863 13 T HN 0.104 nan 8.240 nan 0.000 0.428 14 L N 0.705 121.919 121.223 -0.016 0.000 2.042 14 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 14 L C 2.363 179.275 176.870 0.070 0.000 1.076 14 L CA 1.906 56.786 54.840 0.066 0.000 0.749 14 L CB -0.790 41.303 42.059 0.056 0.000 0.893 14 L HN 0.320 nan 8.230 nan 0.000 0.432 15 K N -0.335 120.072 120.400 0.012 0.000 2.228 15 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 15 K C 1.903 178.499 176.600 -0.007 0.000 1.051 15 K CA 0.616 56.901 56.287 -0.003 0.000 0.960 15 K CB 0.065 32.556 32.500 -0.016 0.000 0.743 15 K HN 0.337 nan 8.250 nan 0.000 0.458 16 E N -0.119 120.085 120.200 0.007 0.000 2.204 16 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 16 E C 1.389 178.020 176.600 0.051 0.000 0.989 16 E CA 0.647 57.055 56.400 0.014 0.000 0.824 16 E CB -0.045 29.661 29.700 0.010 0.000 0.756 16 E HN 0.236 nan 8.360 nan 0.000 0.477 17 F N 0.452 120.341 119.950 -0.101 0.000 2.558 17 F HA 0.110 4.637 4.527 -0.000 0.000 0.298 17 F C 1.423 177.136 175.800 -0.144 0.000 1.119 17 F CA 1.328 59.244 58.000 -0.140 0.000 1.451 17 F CB 0.339 39.214 39.000 -0.208 0.000 1.091 17 F HN 0.052 nan 8.300 nan 0.000 0.563 18 G N 0.191 108.837 108.800 -0.258 0.000 2.163 18 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.213 18 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.213 18 G C 0.235 174.978 174.900 -0.262 0.000 0.991 18 G CA -0.055 44.860 45.100 -0.309 0.000 0.653 18 G HN 0.816 nan 8.290 nan 0.000 0.518 19 A N -0.198 122.521 122.820 -0.168 0.000 2.304 19 A HA 0.675 4.995 4.320 -0.000 0.000 0.301 19 A C -0.100 177.499 177.584 0.024 0.000 1.132 19 A CA 0.243 52.252 52.037 -0.046 0.000 0.819 19 A CB 0.815 19.857 19.000 0.070 0.000 1.094 19 A HN 0.408 nan 8.150 nan 0.000 0.492 20 D N 0.732 121.163 120.400 0.052 0.000 2.264 20 D HA 0.434 5.074 4.640 -0.000 0.000 0.250 20 D C -0.728 175.632 176.300 0.099 0.000 1.113 20 D CA 0.253 54.290 54.000 0.061 0.000 0.871 20 D CB 0.998 41.829 40.800 0.052 0.000 1.167 20 D HN 0.176 nan 8.370 nan 0.000 0.447 21 V N 4.547 124.525 119.914 0.107 0.000 2.384 21 V HA 0.350 4.470 4.120 -0.000 0.000 0.287 21 V C -0.213 175.999 176.094 0.196 0.000 1.020 21 V CA -0.681 61.717 62.300 0.163 0.000 0.850 21 V CB 1.242 33.151 31.823 0.144 0.000 0.987 21 V HN 0.528 nan 8.190 nan 0.000 0.436 22 Q N 4.335 124.277 119.800 0.236 0.000 2.337 22 Q HA 0.455 4.795 4.340 -0.000 0.000 0.266 22 Q C -1.158 175.032 176.000 0.317 0.000 1.023 22 Q CA -0.421 55.514 55.803 0.220 0.000 0.829 22 Q CB 2.964 31.772 28.738 0.115 0.000 1.306 22 Q HN 0.857 nan 8.270 nan 0.000 0.449 23 W N 3.696 125.007 121.300 0.018 0.000 2.587 23 W HA 0.365 5.025 4.660 0.000 0.000 0.324 23 W C -1.540 174.896 176.519 -0.138 0.000 1.040 23 W CA -0.549 56.679 57.345 -0.196 0.000 1.222 23 W CB 1.611 30.893 29.460 -0.297 0.000 1.381 23 W HN 0.648 nan 8.180 nan 0.000 0.483 24 D N 4.159 124.001 120.400 -0.931 0.000 2.453 24 D HA 0.063 4.703 4.640 -0.000 0.000 0.238 24 D C 0.362 175.950 176.300 -1.187 0.000 1.088 24 D CA -0.070 53.479 54.000 -0.750 0.000 0.854 24 D CB 1.395 41.955 40.800 -0.399 0.000 1.076 24 D HN 0.553 nan 8.370 nan 0.000 0.533 25 D N 2.410 122.299 120.400 -0.850 0.000 2.178 25 D HA -0.220 4.420 4.640 -0.000 0.000 0.202 25 D C 1.491 177.635 176.300 -0.261 0.000 0.974 25 D CA 0.878 54.566 54.000 -0.521 0.000 0.841 25 D CB 0.023 40.791 40.800 -0.054 0.000 0.953 25 D HN 0.494 nan 8.370 nan 0.000 0.478 26 Y N 0.575 120.704 120.300 -0.285 0.000 2.181 26 Y HA -0.037 4.513 4.550 -0.000 0.000 0.288 26 Y C 1.917 177.703 175.900 -0.190 0.000 1.146 26 Y CA 1.841 59.834 58.100 -0.179 0.000 1.164 26 Y CB -0.365 38.013 38.460 -0.135 0.000 0.982 26 Y HN 0.026 nan 8.280 nan 0.000 0.515 27 A N -0.854 121.791 122.820 -0.291 0.000 2.238 27 A HA 0.094 4.414 4.320 -0.000 0.000 0.210 27 A C 0.624 178.000 177.584 -0.346 0.000 1.179 27 A CA 0.432 52.271 52.037 -0.330 0.000 0.827 27 A CB -0.099 18.785 19.000 -0.194 0.000 0.856 27 A HN 0.493 nan 8.150 nan 0.000 0.488 28 Q N -1.796 117.698 119.800 -0.511 0.000 2.452 28 Q HA -0.205 4.135 4.340 -0.000 0.000 0.318 28 Q C -0.825 174.916 176.000 -0.433 0.000 1.386 28 Q CA 0.915 56.408 55.803 -0.517 0.000 0.872 28 Q CB -1.929 26.771 28.738 -0.063 0.000 1.151 28 Q HN 0.581 nan 8.270 nan 0.000 0.417 29 L N -0.159 120.628 121.223 -0.726 0.000 2.436 29 L HA 0.631 4.971 4.340 -0.000 0.000 0.268 29 L C -0.990 175.731 176.870 -0.248 0.000 0.974 29 L CA -0.519 54.163 54.840 -0.264 0.000 0.826 29 L CB 1.271 43.239 42.059 -0.152 0.000 1.291 29 L HN 0.028 nan 8.230 nan 0.000 0.406 30 F N 2.426 122.512 119.950 0.227 0.000 2.394 30 F HA 0.578 5.105 4.527 -0.000 0.000 0.340 30 F C 0.538 176.405 175.800 0.111 0.000 1.105 30 F CA -0.108 58.047 58.000 0.258 0.000 1.124 30 F CB 1.811 40.983 39.000 0.286 0.000 1.145 30 F HN 0.371 nan 8.300 nan 0.000 0.505 31 T N 5.383 120.090 114.554 0.255 0.000 2.815 31 T HA 0.563 4.912 4.350 -0.000 0.000 0.289 31 T C -0.909 173.826 174.700 0.058 0.000 1.000 31 T CA -0.543 61.590 62.100 0.055 0.000 0.958 31 T CB 0.798 69.632 68.868 -0.057 0.000 0.944 31 T HN 0.056 nan 8.240 nan 0.000 0.442 32 L N 4.264 125.497 121.223 0.017 0.000 2.341 32 L HA 0.654 4.994 4.340 -0.000 0.000 0.278 32 L C -0.345 176.551 176.870 0.042 0.000 1.005 32 L CA -0.745 54.168 54.840 0.121 0.000 0.818 32 L CB 1.254 43.486 42.059 0.287 0.000 1.259 32 L HN 0.655 nan 8.230 nan 0.000 0.418 33 I N 3.394 124.027 120.570 0.106 0.000 2.534 33 I HA 0.459 4.629 4.170 -0.000 0.000 0.288 33 I C -0.399 175.830 176.117 0.187 0.000 1.077 33 I CA -0.559 60.803 61.300 0.103 0.000 1.051 33 I CB 2.100 40.112 38.000 0.021 0.000 1.234 33 I HN 0.456 nan 8.210 nan 0.000 0.425 34 K N 6.063 126.620 120.400 0.262 0.000 2.615 34 K HA 0.261 4.581 4.320 -0.000 0.000 0.249 34 K C -0.878 175.836 176.600 0.191 0.000 0.977 34 K CA -0.381 55.996 56.287 0.150 0.000 0.833 34 K CB 1.307 33.810 32.500 0.006 0.000 1.208 34 K HN 0.709 nan 8.250 nan 0.000 0.443 35 D N 1.842 122.329 120.400 0.146 0.000 3.927 35 D HA -0.262 4.378 4.640 -0.000 0.000 0.142 35 D C 0.957 177.387 176.300 0.217 0.000 0.830 35 D CA 2.275 56.391 54.000 0.192 0.000 1.091 35 D CB -0.904 40.032 40.800 0.225 0.000 0.495 35 D HN 0.797 nan 8.370 nan 0.000 0.489 36 G N 0.419 109.363 108.800 0.240 0.000 2.880 36 G HA2 0.375 4.335 3.960 -0.000 0.000 0.209 36 G HA3 0.375 4.335 3.960 -0.000 0.000 0.209 36 G C 0.396 175.405 174.900 0.182 0.000 1.157 36 G CA 0.974 46.172 45.100 0.163 0.000 0.779 36 G HN 0.652 nan 8.290 nan 0.000 0.539 37 A N 0.120 123.091 122.820 0.253 0.000 2.362 37 A HA 0.594 4.914 4.320 -0.000 0.000 0.276 37 A C -1.447 176.287 177.584 0.249 0.000 1.153 37 A CA -0.464 51.714 52.037 0.234 0.000 0.813 37 A CB 0.326 19.521 19.000 0.325 0.000 1.081 37 A HN 0.286 nan 8.150 nan 0.000 0.507 38 Y N 3.115 123.449 120.300 0.057 0.000 2.426 38 Y HA 0.495 5.044 4.550 -0.000 0.000 0.325 38 Y C -0.819 175.083 175.900 0.005 0.000 0.989 38 Y CA -0.502 57.631 58.100 0.055 0.000 1.284 38 Y CB 1.430 39.919 38.460 0.049 0.000 1.104 38 Y HN 0.449 nan 8.280 nan 0.000 0.481 39 V N 6.201 126.075 119.914 -0.067 0.000 2.513 39 V HA 0.492 4.612 4.120 -0.000 0.000 0.299 39 V C -0.709 175.378 176.094 -0.011 0.000 1.035 39 V CA -1.059 61.201 62.300 -0.067 0.000 0.889 39 V CB 1.824 33.521 31.823 -0.209 0.000 0.988 39 V HN 0.574 nan 8.190 nan 0.000 0.440 40 K N 2.985 123.425 120.400 0.067 0.000 2.345 40 K HA 0.796 5.116 4.320 -0.000 0.000 0.255 40 K C -1.541 175.142 176.600 0.139 0.000 0.934 40 K CA -0.663 55.693 56.287 0.115 0.000 0.801 40 K CB 2.547 35.124 32.500 0.128 0.000 1.137 40 K HN 0.421 nan 8.250 nan 0.000 0.424 41 V N 3.512 123.555 119.914 0.215 0.000 2.711 41 V HA 0.300 4.420 4.120 -0.000 0.000 0.304 41 V C -1.568 174.721 176.094 0.325 0.000 1.097 41 V CA -0.794 61.656 62.300 0.250 0.000 0.906 41 V CB 1.762 33.757 31.823 0.287 0.000 1.015 41 V HN 0.656 nan 8.190 nan 0.000 0.427 42 K N 7.183 127.727 120.400 0.240 0.000 2.172 42 K HA 0.513 4.832 4.320 -0.000 0.000 0.276 42 K C -2.630 174.127 176.600 0.263 0.000 1.013 42 K CA -1.666 54.766 56.287 0.241 0.000 0.913 42 K CB 1.323 33.904 32.500 0.136 0.000 1.055 42 K HN 0.442 nan 8.250 nan 0.000 0.461 43 P HA -0.079 nan 4.420 nan 0.000 0.264 43 P C 0.643 178.033 177.300 0.150 0.000 1.183 43 P CA 0.841 64.082 63.100 0.236 0.000 0.763 43 P CB 0.531 32.376 31.700 0.241 0.000 0.807 44 G N 1.610 110.478 108.800 0.113 0.000 2.205 44 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.261 44 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.261 44 G C 0.439 175.385 174.900 0.078 0.000 0.980 44 G CA 0.064 45.213 45.100 0.082 0.000 0.632 44 G HN 0.870 nan 8.290 nan 0.000 0.533 45 A N -0.208 122.669 122.820 0.095 0.000 2.354 45 A HA 0.690 5.010 4.320 -0.000 0.000 0.269 45 A C 1.091 178.720 177.584 0.074 0.000 1.109 45 A CA 0.758 52.843 52.037 0.080 0.000 0.800 45 A CB 0.431 19.484 19.000 0.089 0.000 1.045 45 A HN 0.436 nan 8.150 nan 0.000 0.489 46 Q N -0.059 119.775 119.800 0.057 0.000 2.472 46 Q HA 0.026 4.366 4.340 -0.000 0.000 0.208 46 Q C 0.531 176.561 176.000 0.050 0.000 0.958 46 Q CA 1.212 57.045 55.803 0.050 0.000 0.932 46 Q CB 0.037 28.797 28.738 0.036 0.000 1.007 46 Q HN 0.927 nan 8.270 nan 0.000 0.508 47 T N -3.888 110.699 114.554 0.054 0.000 2.883 47 T HA 0.815 5.165 4.350 -0.000 0.000 0.296 47 T C -0.949 173.788 174.700 0.061 0.000 1.117 47 T CA -0.693 61.435 62.100 0.046 0.000 1.006 47 T CB 2.184 71.070 68.868 0.031 0.000 1.191 47 T HN 0.019 nan 8.240 nan 0.000 0.508 48 A N 0.923 123.770 122.820 0.044 0.000 2.486 48 A HA 0.865 5.185 4.320 -0.000 0.000 0.289 48 A C -1.174 176.422 177.584 0.021 0.000 1.176 48 A CA -1.037 51.030 52.037 0.049 0.000 0.757 48 A CB 1.304 20.330 19.000 0.044 0.000 1.337 48 A HN 0.837 nan 8.150 nan 0.000 0.423 49 I N 1.143 121.729 120.570 0.027 0.000 2.433 49 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 49 I C -0.987 175.132 176.117 0.002 0.000 1.001 49 I CA -0.516 60.797 61.300 0.023 0.000 1.119 49 I CB 1.407 39.439 38.000 0.053 0.000 1.289 49 I HN 0.272 nan 8.210 nan 0.000 0.438 50 V N 6.030 125.932 119.914 -0.019 0.000 2.407 50 V HA 0.341 4.461 4.120 -0.000 0.000 0.291 50 V C 0.017 176.118 176.094 0.010 0.000 1.018 50 V CA -0.813 61.466 62.300 -0.035 0.000 0.842 50 V CB 1.264 33.027 31.823 -0.100 0.000 0.996 50 V HN 0.814 nan 8.190 nan 0.000 0.426 51 N N 4.117 122.853 118.700 0.060 0.000 2.699 51 N HA -0.219 4.521 4.740 -0.000 0.000 0.256 51 N C 1.253 176.774 175.510 0.018 0.000 0.993 51 N CA 1.655 54.734 53.050 0.049 0.000 0.759 51 N CB -1.037 37.467 38.487 0.029 0.000 0.906 51 N HN 1.535 nan 8.380 nan 0.000 0.541 52 G N -2.029 106.787 108.800 0.028 0.000 2.212 52 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.266 52 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.266 52 G C -0.207 174.697 174.900 0.008 0.000 0.978 52 G CA 0.547 45.653 45.100 0.009 0.000 0.632 52 G HN 0.472 nan 8.290 nan 0.000 0.537 53 Q N 0.419 120.223 119.800 0.006 0.000 2.312 53 Q HA 0.502 4.842 4.340 -0.000 0.000 0.263 53 Q C -2.614 173.385 176.000 -0.002 0.000 0.995 53 Q CA -2.055 53.748 55.803 -0.000 0.000 0.853 53 Q CB 2.102 30.837 28.738 -0.006 0.000 1.300 53 Q HN 0.179 nan 8.270 nan 0.000 0.448 54 P HA 0.157 nan 4.420 nan 0.000 0.268 54 P C -0.844 176.450 177.300 -0.010 0.000 1.205 54 P CA -0.326 62.774 63.100 -0.000 0.000 0.771 54 P CB 0.463 32.165 31.700 0.003 0.000 0.858 55 L N 2.515 123.731 121.223 -0.012 0.000 2.439 55 L HA 0.680 5.020 4.340 -0.000 0.000 0.270 55 L C -0.714 176.150 176.870 -0.010 0.000 0.972 55 L CA -0.839 53.987 54.840 -0.024 0.000 0.836 55 L CB 1.464 43.489 42.059 -0.055 0.000 1.255 55 L HN 0.397 nan 8.230 nan 0.000 0.404 56 A N 5.670 128.486 122.820 -0.006 0.000 2.477 56 A HA 0.582 4.902 4.320 -0.000 0.000 0.246 56 A C -0.621 176.967 177.584 0.006 0.000 1.078 56 A CA -0.075 51.965 52.037 0.005 0.000 0.770 56 A CB -0.019 18.984 19.000 0.005 0.000 1.011 56 A HN 0.752 nan 8.150 nan 0.000 0.494 57 L N 2.124 123.363 121.223 0.026 0.000 2.334 57 L HA 0.283 4.623 4.340 -0.000 0.000 0.276 57 L C 1.295 178.191 176.870 0.043 0.000 1.014 57 L CA -0.522 54.343 54.840 0.042 0.000 0.815 57 L CB 1.633 43.744 42.059 0.086 0.000 1.268 57 L HN 0.945 nan 8.230 nan 0.000 0.428 58 Q N 1.011 120.838 119.800 0.044 0.000 2.046 58 Q HA -0.001 4.339 4.340 -0.000 0.000 0.200 58 Q C -0.323 175.707 176.000 0.050 0.000 0.975 58 Q CA 1.061 56.888 55.803 0.040 0.000 0.836 58 Q CB 0.285 29.046 28.738 0.038 0.000 0.896 58 Q HN 0.424 nan 8.270 nan 0.000 0.428 59 V N 2.174 122.132 119.914 0.074 0.000 2.443 59 V HA 0.277 4.397 4.120 -0.000 0.000 0.293 59 V C -2.315 173.835 176.094 0.094 0.000 1.021 59 V CA -1.833 60.510 62.300 0.073 0.000 0.848 59 V CB 1.496 33.361 31.823 0.071 0.000 0.998 59 V HN 0.066 nan 8.190 nan 0.000 0.424 60 P HA 0.081 nan 4.420 nan 0.000 0.268 60 P C -0.288 177.051 177.300 0.064 0.000 1.208 60 P CA -0.063 63.086 63.100 0.083 0.000 0.777 60 P CB 0.445 32.185 31.700 0.066 0.000 0.875 61 V N 2.939 122.888 119.914 0.059 0.000 2.529 61 V HA 0.104 4.224 4.120 -0.000 0.000 0.292 61 V C 0.590 176.707 176.094 0.039 0.000 1.028 61 V CA 0.119 62.410 62.300 -0.015 0.000 1.074 61 V CB 0.548 32.351 31.823 -0.033 0.000 0.958 61 V HN 0.367 nan 8.190 nan 0.000 0.481 62 V N 5.022 124.960 119.914 0.039 0.000 2.513 62 V HA 0.627 4.747 4.120 -0.000 0.000 0.299 62 V C -0.243 175.912 176.094 0.102 0.000 1.035 62 V CA -0.983 61.354 62.300 0.062 0.000 0.889 62 V CB 1.881 33.724 31.823 0.032 0.000 0.988 62 V HN 0.682 nan 8.190 nan 0.000 0.440 63 M N 4.614 124.261 119.600 0.079 0.000 2.077 63 M HA 0.501 4.981 4.480 -0.000 0.000 0.348 63 M C -0.336 176.008 176.300 0.074 0.000 1.252 63 M CA 0.195 55.542 55.300 0.078 0.000 1.096 63 M CB 0.522 33.140 32.600 0.030 0.000 1.568 63 M HN 0.750 nan 8.290 nan 0.000 0.456 64 K N 2.153 122.642 120.400 0.149 0.000 2.450 64 K HA 0.224 4.544 4.320 -0.000 0.000 0.257 64 K C -0.465 176.198 176.600 0.105 0.000 0.953 64 K CA -0.497 55.825 56.287 0.058 0.000 0.844 64 K CB 1.124 33.543 32.500 -0.134 0.000 1.103 64 K HN 0.615 nan 8.250 nan 0.000 0.429 65 D N 3.268 123.695 120.400 0.044 0.000 2.716 65 D HA -0.202 4.438 4.640 -0.000 0.000 0.239 65 D C -0.388 175.936 176.300 0.039 0.000 1.125 65 D CA 0.747 54.772 54.000 0.041 0.000 0.681 65 D CB -1.203 39.629 40.800 0.053 0.000 1.070 65 D HN 0.861 nan 8.370 nan 0.000 0.432 66 N N -1.211 117.498 118.700 0.015 0.000 2.681 66 N HA -0.260 4.480 4.740 -0.000 0.000 0.250 66 N C -0.515 174.964 175.510 -0.053 0.000 1.133 66 N CA 1.736 54.768 53.050 -0.030 0.000 0.732 66 N CB -0.577 37.893 38.487 -0.028 0.000 1.107 66 N HN 0.635 nan 8.380 nan 0.000 0.559 67 K N -0.091 120.320 120.400 0.020 0.000 2.281 67 K HA 0.781 5.101 4.320 -0.000 0.000 0.242 67 K C -0.239 176.380 176.600 0.032 0.000 0.971 67 K CA -0.570 55.703 56.287 -0.023 0.000 0.834 67 K CB 1.742 34.223 32.500 -0.032 0.000 1.181 67 K HN 0.115 nan 8.250 nan 0.000 0.435 68 A N 1.169 123.912 122.820 -0.128 0.000 2.312 68 A HA 0.666 4.986 4.320 -0.000 0.000 0.326 68 A C -1.644 175.770 177.584 -0.282 0.000 1.172 68 A CA -0.541 51.427 52.037 -0.116 0.000 0.821 68 A CB 0.263 19.100 19.000 -0.272 0.000 1.166 68 A HN 0.630 nan 8.150 nan 0.000 0.493 69 W N 0.758 121.940 121.300 -0.198 0.000 2.819 69 W HA 0.548 5.208 4.660 -0.000 0.000 0.337 69 W C -0.347 176.019 176.519 -0.254 0.000 1.077 69 W CA -0.465 56.765 57.345 -0.193 0.000 1.226 69 W CB 2.127 31.514 29.460 -0.122 0.000 1.419 69 W HN 0.715 nan 8.180 nan 0.000 0.502 70 V N 0.144 119.992 119.914 -0.110 0.000 2.914 70 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 70 V C 0.233 176.312 176.094 -0.024 0.000 1.084 70 V CA -1.169 60.990 62.300 -0.235 0.000 0.963 70 V CB 1.181 32.587 31.823 -0.696 0.000 1.025 70 V HN 0.511 nan 8.190 nan 0.000 0.432 71 S N 1.524 117.245 115.700 0.036 0.000 2.554 71 S HA -0.039 4.431 4.470 -0.000 0.000 0.290 71 S C 1.155 175.814 174.600 0.098 0.000 1.309 71 S CA 0.595 58.850 58.200 0.091 0.000 1.047 71 S CB 0.223 63.502 63.200 0.132 0.000 0.828 71 S HN 1.209 nan 8.310 nan 0.000 0.509 72 D N 2.661 123.107 120.400 0.077 0.000 2.351 72 D HA -0.068 4.572 4.640 -0.000 0.000 0.216 72 D C 1.261 177.595 176.300 0.057 0.000 0.968 72 D CA 1.063 55.098 54.000 0.059 0.000 0.899 72 D CB -0.511 40.316 40.800 0.045 0.000 0.907 72 D HN 0.449 nan 8.370 nan 0.000 0.514 73 T N -1.137 113.463 114.554 0.076 0.000 3.092 73 T HA 0.131 4.481 4.350 -0.000 0.000 0.258 73 T C 0.712 175.458 174.700 0.076 0.000 1.031 73 T CA -0.549 61.583 62.100 0.055 0.000 0.925 73 T CB -0.514 68.380 68.868 0.043 0.000 1.036 73 T HN 0.121 nan 8.240 nan 0.000 0.544 74 F N 1.471 121.400 119.950 -0.034 0.000 2.113 74 F HA 0.079 4.606 4.527 -0.000 0.000 0.297 74 F C 1.745 177.534 175.800 -0.017 0.000 1.103 74 F CA 1.252 59.237 58.000 -0.024 0.000 1.248 74 F CB -0.172 38.813 39.000 -0.024 0.000 0.999 74 F HN 0.113 nan 8.300 nan 0.000 0.475 75 I N 0.813 121.412 120.570 0.048 0.000 2.099 75 I HA -0.397 3.773 4.170 -0.000 0.000 0.239 75 I C 2.523 178.539 176.117 -0.168 0.000 1.066 75 I CA 2.024 63.235 61.300 -0.148 0.000 1.324 75 I CB -1.053 36.670 38.000 -0.462 0.000 1.037 75 I HN 0.379 nan 8.210 nan 0.000 0.401 76 N N 1.328 119.938 118.700 -0.150 0.000 2.036 76 N HA -0.248 4.492 4.740 -0.000 0.000 0.195 76 N C 1.383 176.840 175.510 -0.089 0.000 1.037 76 N CA 2.312 55.305 53.050 -0.096 0.000 0.855 76 N CB -0.236 38.214 38.487 -0.062 0.000 1.033 76 N HN 0.276 nan 8.380 nan 0.000 0.423 77 D N 0.186 120.518 120.400 -0.113 0.000 2.149 77 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 77 D C 2.063 178.243 176.300 -0.200 0.000 0.990 77 D CA 0.753 54.676 54.000 -0.127 0.000 0.839 77 D CB -0.164 40.568 40.800 -0.113 0.000 0.948 77 D HN 0.190 nan 8.370 nan 0.000 0.460 78 V N -0.313 119.392 119.914 -0.349 0.000 2.374 78 V HA -0.076 4.044 4.120 -0.000 0.000 0.241 78 V C 1.950 177.816 176.094 -0.380 0.000 1.034 78 V CA 0.938 62.949 62.300 -0.482 0.000 1.037 78 V CB -0.411 30.862 31.823 -0.916 0.000 0.682 78 V HN 0.042 nan 8.190 nan 0.000 0.463 79 F N -0.128 119.687 119.950 -0.224 0.000 2.367 79 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 79 F C 2.148 177.935 175.800 -0.021 0.000 1.094 79 F CA 0.886 58.840 58.000 -0.076 0.000 1.409 79 F CB -0.026 38.950 39.000 -0.039 0.000 1.064 79 F HN 0.137 nan 8.300 nan 0.000 0.528 80 Q N -0.497 119.358 119.800 0.091 0.000 2.189 80 Q HA 0.060 4.400 4.340 -0.000 0.000 0.221 80 Q C 1.823 177.831 176.000 0.013 0.000 0.848 80 Q CA 0.146 55.986 55.803 0.061 0.000 1.007 80 Q CB 0.217 28.977 28.738 0.037 0.000 1.116 80 Q HN 0.270 nan 8.270 nan 0.000 0.481 81 S N -1.611 114.077 115.700 -0.020 0.000 2.447 81 S HA 0.008 4.478 4.470 -0.000 0.000 0.233 81 S C 1.684 176.279 174.600 -0.009 0.000 1.006 81 S CA 0.804 58.982 58.200 -0.036 0.000 0.957 81 S CB -0.014 63.141 63.200 -0.075 0.000 0.773 81 S HN 0.511 nan 8.310 nan 0.000 0.507 82 G N 0.840 109.648 108.800 0.013 0.000 2.213 82 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.226 82 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.226 82 G C 0.615 175.526 174.900 0.018 0.000 0.992 82 G CA 0.218 45.331 45.100 0.023 0.000 0.632 82 G HN 0.502 nan 8.290 nan 0.000 0.511 83 L N 0.767 121.990 121.223 0.001 0.000 2.418 83 L HA 0.257 4.597 4.340 -0.000 0.000 0.218 83 L C 1.034 177.910 176.870 0.011 0.000 1.125 83 L CA 0.558 55.396 54.840 -0.004 0.000 0.835 83 L CB 0.030 42.074 42.059 -0.025 0.000 0.953 83 L HN 0.210 nan 8.230 nan 0.000 0.454 84 D N 0.528 120.947 120.400 0.032 0.000 2.336 84 D HA 0.037 4.677 4.640 -0.000 0.000 0.249 84 D C 0.430 176.777 176.300 0.078 0.000 1.213 84 D CA 0.193 54.233 54.000 0.067 0.000 0.870 84 D CB 1.228 42.102 40.800 0.124 0.000 1.076 84 D HN 0.031 nan 8.370 nan 0.000 0.483 85 Q N 1.833 121.660 119.800 0.044 0.000 2.204 85 Q HA 0.099 4.439 4.340 -0.000 0.000 0.209 85 Q C 1.311 177.316 176.000 0.009 0.000 0.861 85 Q CA -0.020 55.804 55.803 0.035 0.000 0.971 85 Q CB 0.585 29.330 28.738 0.012 0.000 1.095 85 Q HN 0.490 nan 8.270 nan 0.000 0.486 86 T N -0.078 114.474 114.554 -0.003 0.000 2.684 86 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 86 T C 0.065 174.605 174.700 -0.267 0.000 1.036 86 T CA 1.195 63.203 62.100 -0.153 0.000 1.148 86 T CB -0.020 68.759 68.868 -0.149 0.000 0.863 86 T HN 0.116 nan 8.240 nan 0.000 0.436 87 F N 1.701 121.687 119.950 0.061 0.000 2.427 87 F HA 0.460 4.987 4.527 -0.000 0.000 0.346 87 F C 0.398 176.224 175.800 0.044 0.000 1.120 87 F CA -1.075 56.959 58.000 0.057 0.000 1.033 87 F CB 1.166 40.202 39.000 0.059 0.000 1.126 87 F HN -0.156 nan 8.300 nan 0.000 0.462 88 Q N 2.360 122.265 119.800 0.174 0.000 2.351 88 Q HA 0.503 4.843 4.340 -0.000 0.000 0.273 88 Q C -0.569 175.501 176.000 0.116 0.000 1.077 88 Q CA -1.072 54.800 55.803 0.116 0.000 0.843 88 Q CB 2.707 31.484 28.738 0.065 0.000 1.367 88 Q HN 0.567 nan 8.270 nan 0.000 0.449 89 V N -1.449 118.517 119.914 0.087 0.000 2.686 89 V HA 0.278 4.398 4.120 -0.000 0.000 0.295 89 V C 0.081 176.219 176.094 0.073 0.000 1.055 89 V CA -0.383 61.962 62.300 0.076 0.000 1.050 89 V CB 0.902 32.759 31.823 0.056 0.000 0.984 89 V HN 0.805 nan 8.190 nan 0.000 0.482 90 E N 3.376 123.623 120.200 0.078 0.000 2.081 90 E HA 0.330 4.680 4.350 -0.000 0.000 0.276 90 E C 0.344 176.992 176.600 0.081 0.000 0.950 90 E CA -0.504 55.950 56.400 0.089 0.000 0.776 90 E CB 1.220 30.982 29.700 0.103 0.000 1.094 90 E HN 0.815 nan 8.360 nan 0.000 0.402 91 K N 3.048 123.496 120.400 0.079 0.000 2.284 91 K HA 0.129 4.449 4.320 -0.000 0.000 0.198 91 K C 0.200 176.849 176.600 0.082 0.000 1.048 91 K CA 0.487 56.813 56.287 0.066 0.000 0.987 91 K CB 0.470 33.001 32.500 0.051 0.000 0.800 91 K HN 0.288 nan 8.250 nan 0.000 0.486 92 R N 1.886 122.458 120.500 0.121 0.000 2.422 92 R HA 0.230 4.570 4.340 -0.000 0.000 0.307 92 R C -2.710 173.718 176.300 0.212 0.000 1.004 92 R CA -1.845 54.355 56.100 0.168 0.000 0.882 92 R CB 1.490 31.919 30.300 0.215 0.000 1.164 92 R HN -0.032 nan 8.270 nan 0.000 0.489 93 P HA -0.087 nan 4.420 nan 0.000 0.267 93 P C -0.565 176.670 177.300 -0.107 0.000 1.205 93 P CA 0.116 63.247 63.100 0.051 0.000 0.765 93 P CB 0.573 32.278 31.700 0.008 0.000 0.828 94 H N 6.517 125.473 119.070 -0.189 0.000 2.897 94 H HA 0.027 4.583 4.556 -0.000 0.000 0.347 94 H C -1.297 173.709 175.328 -0.537 0.000 1.068 94 H CA -1.141 54.592 56.048 -0.526 0.000 1.426 94 H CB 0.859 30.504 29.762 -0.194 0.000 1.410 94 H HN 0.288 nan 8.280 nan 0.000 0.597 95 P HA -0.041 nan 4.420 nan 0.000 0.233 95 P C 1.168 178.372 177.300 -0.160 0.000 1.167 95 P CA 0.652 63.535 63.100 -0.363 0.000 0.770 95 P CB 0.408 31.839 31.700 -0.449 0.000 0.837 96 L N -1.175 120.011 121.223 -0.061 0.000 2.592 96 L HA 0.148 4.488 4.340 -0.000 0.000 0.227 96 L C 0.422 177.268 176.870 -0.039 0.000 1.127 96 L CA -0.317 54.431 54.840 -0.154 0.000 0.884 96 L CB -0.842 41.019 42.059 -0.331 0.000 1.065 96 L HN -0.141 nan 8.230 nan 0.000 0.457 97 N N 1.995 120.716 118.700 0.034 0.000 2.292 97 N HA 0.039 4.779 4.740 -0.000 0.000 0.258 97 N C 0.320 175.853 175.510 0.038 0.000 1.261 97 N CA 0.297 53.421 53.050 0.123 0.000 0.845 97 N CB 0.588 39.124 38.487 0.082 0.000 1.064 97 N HN 0.154 nan 8.380 nan 0.000 0.471 98 A N 2.868 125.699 122.820 0.019 0.000 2.406 98 A HA 0.195 4.515 4.320 -0.000 0.000 0.243 98 A C 0.472 178.048 177.584 -0.013 0.000 1.082 98 A CA -0.485 51.545 52.037 -0.011 0.000 0.786 98 A CB 0.045 19.024 19.000 -0.034 0.000 1.029 98 A HN 0.708 nan 8.150 nan 0.000 0.495 99 L N 1.627 122.840 121.223 -0.016 0.000 2.615 99 L HA 0.035 4.375 4.340 -0.000 0.000 0.284 99 L C 1.467 178.325 176.870 -0.021 0.000 1.237 99 L CA 0.277 55.106 54.840 -0.018 0.000 0.905 99 L CB -0.350 41.697 42.059 -0.019 0.000 1.149 99 L HN 0.977 nan 8.230 nan 0.000 0.499 100 T N -0.079 114.463 114.554 -0.020 0.000 2.788 100 T HA 0.406 4.756 4.350 -0.000 0.000 0.280 100 T C 1.213 175.898 174.700 -0.026 0.000 0.984 100 T CA -0.264 61.824 62.100 -0.020 0.000 0.972 100 T CB 1.535 70.393 68.868 -0.016 0.000 1.039 100 T HN 0.615 nan 8.240 nan 0.000 0.530 101 A N 0.656 123.460 122.820 -0.026 0.000 1.908 101 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 101 A C 2.053 179.616 177.584 -0.036 0.000 1.181 101 A CA 1.860 53.878 52.037 -0.032 0.000 0.627 101 A CB -1.109 17.875 19.000 -0.027 0.000 0.818 101 A HN 0.903 nan 8.150 nan 0.000 0.445 102 D N -0.425 119.957 120.400 -0.029 0.000 2.117 102 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 102 D C 1.987 178.268 176.300 -0.032 0.000 0.982 102 D CA 1.400 55.383 54.000 -0.029 0.000 0.828 102 D CB -0.348 40.439 40.800 -0.021 0.000 0.967 102 D HN 0.664 nan 8.370 nan 0.000 0.464 103 E N 0.116 120.299 120.200 -0.029 0.000 2.150 103 E HA -0.095 4.254 4.350 -0.000 0.000 0.193 103 E C 2.297 178.872 176.600 -0.041 0.000 0.985 103 E CA 0.308 56.691 56.400 -0.028 0.000 0.814 103 E CB 0.036 29.723 29.700 -0.021 0.000 0.752 103 E HN 0.295 nan 8.360 nan 0.000 0.466 104 I N 1.376 121.914 120.570 -0.052 0.000 2.163 104 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 104 I C 2.315 178.366 176.117 -0.110 0.000 1.085 104 I CA 1.367 62.618 61.300 -0.082 0.000 1.347 104 I CB -0.107 37.843 38.000 -0.083 0.000 1.044 104 I HN 0.005 nan 8.210 nan 0.000 0.408 105 K N -0.021 120.325 120.400 -0.089 0.000 2.057 105 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 105 K C 2.178 178.730 176.600 -0.080 0.000 1.050 105 K CA 1.199 57.429 56.287 -0.094 0.000 0.935 105 K CB -0.195 32.263 32.500 -0.069 0.000 0.715 105 K HN 0.347 nan 8.250 nan 0.000 0.439 106 Q N 0.532 120.299 119.800 -0.055 0.000 2.061 106 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 106 Q C 2.035 178.016 176.000 -0.032 0.000 0.984 106 Q CA 1.637 57.418 55.803 -0.037 0.000 0.846 106 Q CB -0.098 28.625 28.738 -0.024 0.000 0.902 106 Q HN 0.334 nan 8.270 nan 0.000 0.421 107 A N -0.183 122.615 122.820 -0.037 0.000 1.933 107 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 107 A C 2.178 179.751 177.584 -0.018 0.000 1.175 107 A CA 1.496 53.523 52.037 -0.015 0.000 0.628 107 A CB -0.609 18.379 19.000 -0.020 0.000 0.814 107 A HN 0.307 nan 8.150 nan 0.000 0.444 108 V N -0.030 119.823 119.914 -0.103 0.000 2.358 108 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 108 V C 2.374 178.423 176.094 -0.075 0.000 1.047 108 V CA 2.204 64.417 62.300 -0.145 0.000 1.035 108 V CB -0.838 30.785 31.823 -0.333 0.000 0.658 108 V HN 0.636 nan 8.190 nan 0.000 0.452 109 E N 0.004 120.160 120.200 -0.074 0.000 2.085 109 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 109 E C 2.171 178.751 176.600 -0.034 0.000 0.994 109 E CA 1.586 57.947 56.400 -0.065 0.000 0.801 109 E CB -0.219 29.453 29.700 -0.047 0.000 0.743 109 E HN 0.556 nan 8.360 nan 0.000 0.453 110 I N 0.838 121.411 120.570 0.006 0.000 2.179 110 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 110 I C 2.627 178.806 176.117 0.103 0.000 1.088 110 I CA 1.119 62.447 61.300 0.047 0.000 1.357 110 I CB -0.411 37.626 38.000 0.061 0.000 1.051 110 I HN 0.110 nan 8.210 nan 0.000 0.409 111 V N -1.553 118.462 119.914 0.169 0.000 2.548 111 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 111 V C 2.203 178.419 176.094 0.204 0.000 1.055 111 V CA 1.331 63.845 62.300 0.356 0.000 1.065 111 V CB -0.863 31.282 31.823 0.537 0.000 0.681 111 V HN 0.317 nan 8.190 nan 0.000 0.462 112 K N 1.074 121.376 120.400 -0.163 0.000 2.280 112 K HA 0.080 4.400 4.320 -0.000 0.000 0.202 112 K C 2.269 178.760 176.600 -0.183 0.000 1.047 112 K CA 1.296 57.257 56.287 -0.543 0.000 0.942 112 K CB -0.378 31.784 32.500 -0.563 0.000 0.739 112 K HN 0.626 nan 8.250 nan 0.000 0.457 113 A N 1.039 123.820 122.820 -0.064 0.000 2.066 113 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 113 A C 1.273 178.848 177.584 -0.015 0.000 1.157 113 A CA 0.451 52.469 52.037 -0.031 0.000 0.670 113 A CB -0.091 18.901 19.000 -0.015 0.000 0.804 113 A HN 0.219 nan 8.150 nan 0.000 0.453 114 S N -0.783 114.920 115.700 0.005 0.000 2.572 114 S HA 0.388 4.858 4.470 -0.000 0.000 0.279 114 S C 1.245 175.782 174.600 -0.104 0.000 1.341 114 S CA 0.037 58.189 58.200 -0.080 0.000 1.043 114 S CB 1.069 64.154 63.200 -0.192 0.000 0.887 114 S HN 0.803 nan 8.310 nan 0.000 0.516 115 A N 3.006 125.732 122.820 -0.157 0.000 2.168 115 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 115 A C 1.426 178.904 177.584 -0.176 0.000 1.152 115 A CA 1.130 53.092 52.037 -0.124 0.000 0.716 115 A CB -0.373 18.559 19.000 -0.114 0.000 0.794 115 A HN 0.858 nan 8.150 nan 0.000 0.465 116 D N -1.547 118.617 120.400 -0.394 0.000 2.348 116 D HA 0.070 4.710 4.640 -0.000 0.000 0.211 116 D C -0.001 176.187 176.300 -0.187 0.000 0.998 116 D CA 0.041 53.746 54.000 -0.492 0.000 0.873 116 D CB -0.120 39.982 40.800 -1.165 0.000 0.925 116 D HN 0.413 nan 8.370 nan 0.000 0.524 117 F N 2.802 122.660 119.950 -0.154 0.000 2.494 117 F HA 0.091 4.618 4.527 -0.000 0.000 0.369 117 F C 0.663 176.521 175.800 0.097 0.000 1.098 117 F CA -0.347 57.762 58.000 0.182 0.000 1.154 117 F CB 0.318 39.452 39.000 0.224 0.000 1.103 117 F HN -0.462 nan 8.300 nan 0.000 0.549 118 K N 7.870 128.141 120.400 -0.215 0.000 2.144 118 K HA 0.213 4.533 4.320 -0.000 0.000 0.270 118 K C -1.645 174.891 176.600 -0.107 0.000 1.005 118 K CA -1.633 54.589 56.287 -0.108 0.000 0.932 118 K CB 1.054 33.484 32.500 -0.116 0.000 1.021 118 K HN 0.292 nan 8.250 nan 0.000 0.462 119 P HA -0.167 nan 4.420 nan 0.000 0.218 119 P C 0.160 177.521 177.300 0.102 0.000 1.154 119 P CA 1.540 64.714 63.100 0.124 0.000 0.872 119 P CB 0.288 32.033 31.700 0.075 0.000 0.790 120 N N -1.898 116.810 118.700 0.013 0.000 2.389 120 N HA 0.079 4.819 4.740 -0.000 0.000 0.260 120 N C -0.315 175.175 175.510 -0.034 0.000 1.191 120 N CA 0.194 53.265 53.050 0.035 0.000 0.885 120 N CB 0.032 38.542 38.487 0.039 0.000 1.162 120 N HN 0.082 nan 8.380 nan 0.000 0.512 121 T N 1.395 115.839 114.554 -0.184 0.000 2.940 121 T HA 0.144 4.494 4.350 -0.000 0.000 0.309 121 T C 0.904 175.442 174.700 -0.270 0.000 1.056 121 T CA 0.392 62.266 62.100 -0.376 0.000 1.137 121 T CB 1.159 69.458 68.868 -0.948 0.000 0.976 121 T HN 0.093 nan 8.240 nan 0.000 0.547 122 R N 0.730 121.065 120.500 -0.276 0.000 2.856 122 R HA 0.586 4.926 4.340 -0.000 0.000 0.258 122 R C -1.088 175.004 176.300 -0.346 0.000 1.066 122 R CA -0.747 55.276 56.100 -0.129 0.000 1.045 122 R CB 1.116 31.497 30.300 0.134 0.000 1.178 122 R HN 0.464 nan 8.270 nan 0.000 0.499 123 F N 0.137 120.168 119.950 0.135 0.000 2.382 123 F HA 0.183 4.710 4.527 -0.000 0.000 0.361 123 F C 1.433 177.302 175.800 0.114 0.000 1.109 123 F CA -0.677 57.386 58.000 0.104 0.000 1.031 123 F CB 1.831 40.888 39.000 0.094 0.000 1.234 123 F HN 0.626 nan 8.300 nan 0.000 0.445 124 T N -1.670 112.997 114.554 0.189 0.000 2.867 124 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 124 T C 0.397 175.184 174.700 0.145 0.000 1.057 124 T CA 0.881 63.070 62.100 0.148 0.000 1.136 124 T CB 0.163 69.088 68.868 0.095 0.000 0.874 124 T HN 0.591 nan 8.240 nan 0.000 0.466 125 E N -0.448 119.847 120.200 0.158 0.000 2.388 125 E HA 0.503 4.852 4.350 -0.000 0.000 0.289 125 E C -1.997 174.678 176.600 0.125 0.000 0.944 125 E CA -0.741 55.730 56.400 0.118 0.000 0.792 125 E CB 1.683 31.423 29.700 0.067 0.000 1.239 125 E HN 0.361 nan 8.360 nan 0.000 0.412 126 I N 3.113 123.735 120.570 0.085 0.000 2.466 126 I HA 0.357 4.527 4.170 -0.000 0.000 0.279 126 I C -0.693 175.440 176.117 0.028 0.000 1.033 126 I CA -0.381 60.951 61.300 0.053 0.000 1.123 126 I CB 1.721 39.718 38.000 -0.005 0.000 1.237 126 I HN 0.274 nan 8.210 nan 0.000 0.460 127 S N 4.837 120.556 115.700 0.031 0.000 2.599 127 S HA 0.517 4.987 4.470 -0.000 0.000 0.287 127 S C -0.649 173.960 174.600 0.015 0.000 1.105 127 S CA -0.629 57.583 58.200 0.019 0.000 0.899 127 S CB 2.402 65.620 63.200 0.029 0.000 1.100 127 S HN 0.491 nan 8.310 nan 0.000 0.482 128 L N 2.963 124.188 121.223 0.003 0.000 2.601 128 L HA 0.191 4.531 4.340 -0.000 0.000 0.277 128 L C -0.502 176.372 176.870 0.008 0.000 1.219 128 L CA 0.030 54.870 54.840 -0.000 0.000 0.915 128 L CB 0.003 42.055 42.059 -0.012 0.000 1.160 128 L HN 0.553 nan 8.230 nan 0.000 0.494 129 L N 9.604 130.835 121.223 0.013 0.000 2.312 129 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 129 L C -2.237 174.640 176.870 0.011 0.000 1.091 129 L CA -2.088 52.764 54.840 0.019 0.000 0.846 129 L CB -0.117 41.958 42.059 0.026 0.000 1.219 129 L HN 0.527 nan 8.230 nan 0.000 0.439 130 P HA 0.377 nan 4.420 nan 0.000 0.274 130 P C -2.686 174.624 177.300 0.015 0.000 1.237 130 P CA -1.347 61.756 63.100 0.005 0.000 0.793 130 P CB -0.213 31.498 31.700 0.017 0.000 0.977 131 P HA 0.060 nan 4.420 nan 0.000 0.272 131 P C -0.271 177.045 177.300 0.026 0.000 1.254 131 P CA -0.022 63.081 63.100 0.004 0.000 0.795 131 P CB 0.147 31.833 31.700 -0.024 0.000 1.022 132 D N 0.175 120.587 120.400 0.021 0.000 2.372 132 D HA -0.006 4.634 4.640 -0.000 0.000 0.243 132 D C 0.860 177.148 176.300 -0.020 0.000 1.121 132 D CA -0.392 53.621 54.000 0.022 0.000 0.898 132 D CB 1.141 41.953 40.800 0.021 0.000 1.202 132 D HN 0.355 nan 8.370 nan 0.000 0.428 133 K N 1.379 121.713 120.400 -0.110 0.000 2.074 133 K HA -0.284 4.036 4.320 -0.000 0.000 0.209 133 K C 1.835 178.298 176.600 -0.230 0.000 1.048 133 K CA 1.676 57.709 56.287 -0.425 0.000 0.926 133 K CB -0.008 31.999 32.500 -0.821 0.000 0.713 133 K HN 0.615 nan 8.250 nan 0.000 0.444 134 E N -0.236 119.914 120.200 -0.085 0.000 2.047 134 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 134 E C 1.842 178.493 176.600 0.084 0.000 0.987 134 E CA 1.007 57.427 56.400 0.033 0.000 0.799 134 E CB -0.171 29.537 29.700 0.014 0.000 0.752 134 E HN 0.456 nan 8.360 nan 0.000 0.449 135 A N 0.586 123.436 122.820 0.049 0.000 1.933 135 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 135 A C 2.375 180.013 177.584 0.091 0.000 1.175 135 A CA 1.464 53.540 52.037 0.064 0.000 0.628 135 A CB -0.596 18.425 19.000 0.034 0.000 0.814 135 A HN 0.234 nan 8.150 nan 0.000 0.444 136 V N -2.335 117.615 119.914 0.059 0.000 2.307 136 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 136 V C 2.225 178.404 176.094 0.141 0.000 1.045 136 V CA 1.707 64.031 62.300 0.039 0.000 1.024 136 V CB -1.053 30.803 31.823 0.054 0.000 0.651 136 V HN 0.797 nan 8.190 nan 0.000 0.449 137 W N 0.005 121.390 121.300 0.141 0.000 2.363 137 W HA -0.137 4.523 4.660 -0.000 0.000 0.296 137 W C 2.552 179.118 176.519 0.079 0.000 1.212 137 W CA 1.003 58.423 57.345 0.125 0.000 1.260 137 W CB -0.210 29.287 29.460 0.062 0.000 1.131 137 W HN 0.201 nan 8.180 nan 0.000 0.530 138 A N -0.673 122.326 122.820 0.299 0.000 1.968 138 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 138 A C 1.604 179.270 177.584 0.138 0.000 1.169 138 A CA 1.121 53.261 52.037 0.172 0.000 0.638 138 A CB -1.122 17.947 19.000 0.114 0.000 0.812 138 A HN 0.396 nan 8.150 nan 0.000 0.446 139 F N 1.172 121.134 119.950 0.020 0.000 2.102 139 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 139 F C 2.417 178.201 175.800 -0.027 0.000 1.105 139 F CA 1.551 59.522 58.000 -0.049 0.000 1.239 139 F CB -0.341 38.561 39.000 -0.162 0.000 0.991 139 F HN 0.230 nan 8.300 nan 0.000 0.474 140 A N 0.190 123.091 122.820 0.136 0.000 1.929 140 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 140 A C 2.161 179.799 177.584 0.089 0.000 1.176 140 A CA 1.633 53.744 52.037 0.123 0.000 0.628 140 A CB -0.906 18.292 19.000 0.331 0.000 0.816 140 A HN 0.505 nan 8.150 nan 0.000 0.444 141 L N -1.729 119.582 121.223 0.148 0.000 2.354 141 L HA 0.100 4.440 4.340 -0.000 0.000 0.212 141 L C 1.486 178.358 176.870 0.003 0.000 1.091 141 L CA 0.781 55.677 54.840 0.094 0.000 0.828 141 L CB 0.073 42.197 42.059 0.109 0.000 0.973 141 L HN 0.376 nan 8.230 nan 0.000 0.461 142 E N -1.329 118.852 120.200 -0.032 0.000 2.641 142 E HA 0.135 4.485 4.350 -0.000 0.000 0.224 142 E C -0.237 176.297 176.600 -0.110 0.000 0.951 142 E CA -0.156 56.212 56.400 -0.053 0.000 1.102 142 E CB 0.639 30.327 29.700 -0.020 0.000 1.091 142 E HN 0.176 nan 8.360 nan 0.000 0.507 143 N N 1.518 120.080 118.700 -0.230 0.000 2.800 143 N HA -0.207 4.532 4.740 -0.000 0.000 0.250 143 N C -0.112 175.282 175.510 -0.193 0.000 1.078 143 N CA 1.004 53.837 53.050 -0.361 0.000 0.804 143 N CB -1.058 37.283 38.487 -0.245 0.000 1.135 143 N HN 0.261 nan 8.380 nan 0.000 0.565 144 K N 1.931 122.284 120.400 -0.078 0.000 2.416 144 K HA 0.173 4.493 4.320 -0.000 0.000 0.283 144 K C -2.372 174.314 176.600 0.144 0.000 1.037 144 K CA -0.981 55.322 56.287 0.026 0.000 0.995 144 K CB 0.660 33.184 32.500 0.039 0.000 0.938 144 K HN -0.152 nan 8.250 nan 0.000 0.475 145 P HA -0.027 nan 4.420 nan 0.000 0.271 145 P C -0.812 176.557 177.300 0.115 0.000 1.216 145 P CA -0.366 62.839 63.100 0.176 0.000 0.771 145 P CB 0.755 32.517 31.700 0.103 0.000 0.864 146 V N 3.575 123.538 119.914 0.081 0.000 2.637 146 V HA 0.023 4.143 4.120 -0.000 0.000 0.296 146 V C 1.117 177.221 176.094 0.017 0.000 1.046 146 V CA 0.755 63.071 62.300 0.026 0.000 1.066 146 V CB 0.375 32.171 31.823 -0.045 0.000 0.968 146 V HN 0.534 nan 8.190 nan 0.000 0.483 147 D N 3.449 123.859 120.400 0.017 0.000 2.894 147 D HA 0.248 4.888 4.640 -0.000 0.000 0.273 147 D C 0.110 176.415 176.300 0.008 0.000 1.328 147 D CA 0.035 54.044 54.000 0.015 0.000 0.845 147 D CB 0.603 41.415 40.800 0.019 0.000 1.072 147 D HN 0.642 nan 8.370 nan 0.000 0.484 148 Q N 0.729 120.528 119.800 -0.000 0.000 2.345 148 Q HA 0.473 4.813 4.340 -0.000 0.000 0.268 148 Q C -2.232 173.764 176.000 -0.006 0.000 1.054 148 Q CA -1.707 54.096 55.803 -0.001 0.000 0.835 148 Q CB 2.077 30.814 28.738 -0.001 0.000 1.339 148 Q HN -0.001 nan 8.270 nan 0.000 0.447 149 P HA 0.136 nan 4.420 nan 0.000 0.274 149 P C -0.853 176.443 177.300 -0.006 0.000 1.237 149 P CA -0.553 62.546 63.100 -0.001 0.000 0.793 149 P CB 0.641 32.345 31.700 0.006 0.000 0.977 150 R N 1.915 122.410 120.500 -0.009 0.000 2.421 150 R HA 0.185 4.525 4.340 -0.000 0.000 0.305 150 R C 0.392 176.692 176.300 -0.000 0.000 1.039 150 R CA 0.409 56.502 56.100 -0.012 0.000 1.003 150 R CB -0.062 30.230 30.300 -0.014 0.000 0.959 150 R HN 0.496 nan 8.270 nan 0.000 0.427 151 K N 1.095 121.497 120.400 0.002 0.000 2.267 151 K HA 0.681 5.001 4.320 -0.000 0.000 0.246 151 K C -0.795 175.813 176.600 0.014 0.000 0.954 151 K CA -0.822 55.473 56.287 0.013 0.000 0.824 151 K CB 2.419 34.931 32.500 0.019 0.000 1.167 151 K HN 0.565 nan 8.250 nan 0.000 0.431 152 A N 1.764 124.598 122.820 0.023 0.000 2.393 152 A HA 0.359 4.679 4.320 -0.000 0.000 0.306 152 A C -1.234 176.373 177.584 0.038 0.000 1.050 152 A CA -0.853 51.200 52.037 0.025 0.000 0.724 152 A CB 0.891 19.904 19.000 0.020 0.000 1.248 152 A HN 0.643 nan 8.150 nan 0.000 0.424 153 D N 1.469 121.893 120.400 0.040 0.000 2.312 153 D HA 0.400 5.040 4.640 -0.000 0.000 0.252 153 D C -0.585 175.751 176.300 0.060 0.000 1.150 153 D CA 0.410 54.439 54.000 0.048 0.000 0.870 153 D CB 1.643 42.473 40.800 0.051 0.000 1.153 153 D HN 0.151 nan 8.370 nan 0.000 0.457 154 V N 4.463 124.416 119.914 0.066 0.000 2.376 154 V HA 0.356 4.476 4.120 -0.000 0.000 0.287 154 V C 0.302 176.439 176.094 0.072 0.000 1.015 154 V CA -0.708 61.658 62.300 0.109 0.000 0.834 154 V CB 1.324 33.239 31.823 0.153 0.000 1.001 154 V HN 0.353 nan 8.190 nan 0.000 0.428 155 I N 5.761 126.394 120.570 0.104 0.000 2.362 155 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 155 I C -0.216 175.916 176.117 0.026 0.000 0.994 155 I CA -0.236 61.093 61.300 0.048 0.000 1.158 155 I CB 1.662 39.717 38.000 0.091 0.000 1.315 155 I HN 0.465 nan 8.210 nan 0.000 0.451 156 M N 6.374 125.901 119.600 -0.122 0.000 2.508 156 M HA 0.481 4.961 4.480 -0.000 0.000 0.327 156 M C -1.184 174.987 176.300 -0.214 0.000 1.160 156 M CA -0.832 54.312 55.300 -0.259 0.000 0.980 156 M CB 2.613 34.960 32.600 -0.422 0.000 1.693 156 M HN 0.340 nan 8.290 nan 0.000 0.452 157 L N 2.595 123.686 121.223 -0.220 0.000 2.342 157 L HA 0.436 4.776 4.340 -0.000 0.000 0.276 157 L C -1.261 175.502 176.870 -0.178 0.000 0.997 157 L CA -0.115 54.633 54.840 -0.153 0.000 0.838 157 L CB 1.056 43.062 42.059 -0.087 0.000 1.224 157 L HN 0.511 nan 8.230 nan 0.000 0.416 158 D N 4.339 124.656 120.400 -0.138 0.000 2.467 158 D HA 0.534 5.174 4.640 -0.000 0.000 0.220 158 D C 0.983 177.265 176.300 -0.029 0.000 1.103 158 D CA 0.881 54.817 54.000 -0.107 0.000 0.886 158 D CB 0.786 41.549 40.800 -0.061 0.000 1.025 158 D HN 0.824 nan 8.370 nan 0.000 0.514 159 G N 5.181 113.945 108.800 -0.059 0.000 2.846 159 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.317 159 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.317 159 G C 0.804 175.619 174.900 -0.141 0.000 1.210 159 G CA 0.963 46.020 45.100 -0.070 0.000 0.972 159 G HN 0.622 nan 8.290 nan 0.000 0.567 160 K N 0.847 121.079 120.400 -0.281 0.000 2.413 160 K HA 0.415 4.735 4.320 -0.000 0.000 0.204 160 K C 0.150 176.468 176.600 -0.469 0.000 1.041 160 K CA 0.001 56.065 56.287 -0.371 0.000 1.082 160 K CB 0.371 32.621 32.500 -0.417 0.000 0.871 160 K HN 0.649 nan 8.250 nan 0.000 0.535 161 H N 1.011 119.989 119.070 -0.153 0.000 2.488 161 H HA 0.297 4.853 4.556 -0.000 0.000 0.322 161 H C -0.462 174.752 175.328 -0.190 0.000 1.078 161 H CA -0.813 55.131 56.048 -0.173 0.000 1.260 161 H CB 1.323 31.005 29.762 -0.134 0.000 1.425 161 H HN 0.005 nan 8.280 nan 0.000 0.471 162 I N 4.555 125.051 120.570 -0.124 0.000 2.365 162 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 162 I C -0.040 175.966 176.117 -0.185 0.000 1.004 162 I CA -0.227 60.961 61.300 -0.187 0.000 1.311 162 I CB 0.572 38.369 38.000 -0.338 0.000 1.401 162 I HN 0.522 nan 8.210 nan 0.000 0.491 163 I N 5.869 126.304 120.570 -0.225 0.000 2.545 163 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 163 I C -0.063 175.866 176.117 -0.315 0.000 1.040 163 I CA -0.386 60.716 61.300 -0.330 0.000 1.068 163 I CB 1.980 39.630 38.000 -0.584 0.000 1.251 163 I HN 0.446 nan 8.210 nan 0.000 0.424 164 E N 4.799 124.847 120.200 -0.254 0.000 2.133 164 E HA 0.741 5.091 4.350 -0.000 0.000 0.274 164 E C -0.872 175.598 176.600 -0.216 0.000 0.930 164 E CA -0.692 55.617 56.400 -0.151 0.000 0.770 164 E CB 1.898 31.587 29.700 -0.019 0.000 1.104 164 E HN 0.653 nan 8.360 nan 0.000 0.403 165 A N 2.685 125.392 122.820 -0.188 0.000 2.354 165 A HA 0.730 5.050 4.320 -0.000 0.000 0.321 165 A C -0.852 176.739 177.584 0.013 0.000 1.125 165 A CA -0.621 51.356 52.037 -0.100 0.000 0.799 165 A CB 1.467 20.390 19.000 -0.128 0.000 1.293 165 A HN 0.392 nan 8.150 nan 0.000 0.452 166 V N 1.135 121.086 119.914 0.063 0.000 2.588 166 V HA 0.613 4.733 4.120 -0.000 0.000 0.304 166 V C -0.389 175.757 176.094 0.086 0.000 1.042 166 V CA -0.452 61.888 62.300 0.067 0.000 0.877 166 V CB 1.558 33.417 31.823 0.060 0.000 0.996 166 V HN 1.153 nan 8.190 nan 0.000 0.425 167 V N 0.405 120.363 119.914 0.073 0.000 2.680 167 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 167 V C -0.784 175.339 176.094 0.049 0.000 1.052 167 V CA -0.639 61.703 62.300 0.071 0.000 0.908 167 V CB 2.110 33.977 31.823 0.073 0.000 1.001 167 V HN 0.802 nan 8.190 nan 0.000 0.431 168 D N 3.004 123.430 120.400 0.045 0.000 2.373 168 D HA 0.405 5.045 4.640 -0.000 0.000 0.227 168 D C 0.687 177.001 176.300 0.024 0.000 1.091 168 D CA -0.198 53.821 54.000 0.031 0.000 0.840 168 D CB 1.715 42.533 40.800 0.031 0.000 1.060 168 D HN 0.641 nan 8.370 nan 0.000 0.502 169 L N 3.026 124.258 121.223 0.016 0.000 2.209 169 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 169 L C 2.476 179.349 176.870 0.006 0.000 1.094 169 L CA 0.484 55.330 54.840 0.009 0.000 0.790 169 L CB -0.150 41.910 42.059 0.002 0.000 0.932 169 L HN 0.492 nan 8.230 nan 0.000 0.447 170 Q N 0.625 120.429 119.800 0.006 0.000 2.020 170 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 170 Q C 1.493 177.498 176.000 0.008 0.000 0.982 170 Q CA 1.631 57.438 55.803 0.005 0.000 0.838 170 Q CB 0.131 28.872 28.738 0.005 0.000 0.899 170 Q HN 0.487 nan 8.270 nan 0.000 0.423 171 N N 0.837 119.544 118.700 0.011 0.000 2.398 171 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 171 N C -0.242 175.277 175.510 0.015 0.000 1.122 171 N CA 0.546 53.604 53.050 0.013 0.000 0.866 171 N CB -0.027 38.469 38.487 0.015 0.000 0.970 171 N HN 0.326 nan 8.380 nan 0.000 0.462 172 N N 1.125 119.835 118.700 0.015 0.000 2.727 172 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 172 N C -0.930 174.594 175.510 0.024 0.000 1.048 172 N CA 0.843 53.903 53.050 0.016 0.000 0.714 172 N CB -0.944 37.549 38.487 0.010 0.000 0.959 172 N HN 0.543 nan 8.380 nan 0.000 0.544 173 K N -1.066 119.353 120.400 0.032 0.000 2.385 173 K HA 0.600 4.920 4.320 -0.000 0.000 0.248 173 K C -0.654 175.983 176.600 0.061 0.000 0.955 173 K CA -1.230 55.082 56.287 0.042 0.000 0.816 173 K CB 1.566 34.087 32.500 0.035 0.000 1.250 173 K HN 0.033 nan 8.250 nan 0.000 0.434 174 L N 3.398 124.669 121.223 0.080 0.000 2.319 174 L HA 0.189 4.529 4.340 -0.000 0.000 0.280 174 L C 0.027 176.959 176.870 0.103 0.000 1.099 174 L CA 0.016 54.926 54.840 0.117 0.000 0.828 174 L CB 0.420 42.575 42.059 0.159 0.000 1.150 174 L HN 0.864 nan 8.230 nan 0.000 0.442 175 L N 3.229 124.515 121.223 0.104 0.000 2.470 175 L HA 0.309 4.649 4.340 -0.000 0.000 0.219 175 L C 0.337 177.271 176.870 0.107 0.000 1.071 175 L CA 0.369 55.262 54.840 0.088 0.000 0.850 175 L CB -0.142 41.958 42.059 0.068 0.000 1.040 175 L HN 0.819 nan 8.230 nan 0.000 0.475 176 S N -2.273 113.512 115.700 0.142 0.000 2.587 176 S HA 0.439 4.909 4.470 -0.000 0.000 0.269 176 S C -2.086 172.662 174.600 0.246 0.000 1.154 176 S CA -0.765 57.535 58.200 0.167 0.000 0.824 176 S CB 2.143 65.410 63.200 0.112 0.000 1.118 176 S HN 0.190 nan 8.310 nan 0.000 0.462 177 W N 1.924 123.249 121.300 0.043 0.000 2.957 177 W HA 0.530 5.190 4.660 -0.000 0.000 0.327 177 W C -1.879 174.656 176.519 0.027 0.000 1.039 177 W CA -0.114 57.256 57.345 0.042 0.000 1.257 177 W CB 1.742 31.226 29.460 0.041 0.000 1.238 177 W HN 0.950 nan 8.180 nan 0.000 0.406 178 Q N 7.530 127.309 119.800 -0.035 0.000 2.337 178 Q HA 0.452 4.792 4.340 -0.000 0.000 0.260 178 Q C -2.591 173.374 176.000 -0.058 0.000 0.982 178 Q CA -1.836 53.983 55.803 0.025 0.000 0.734 178 Q CB 2.306 31.060 28.738 0.026 0.000 1.272 178 Q HN 0.042 nan 8.270 nan 0.000 0.461 179 P HA 0.104 nan 4.420 nan 0.000 0.268 179 P C -0.638 176.627 177.300 -0.057 0.000 1.205 179 P CA 0.014 63.093 63.100 -0.036 0.000 0.771 179 P CB 0.522 32.229 31.700 0.012 0.000 0.858 180 I N 2.722 123.226 120.570 -0.110 0.000 2.371 180 I HA 0.232 4.402 4.170 -0.000 0.000 0.282 180 I C 0.819 176.851 176.117 -0.141 0.000 1.031 180 I CA -0.939 60.281 61.300 -0.135 0.000 1.180 180 I CB 0.453 38.305 38.000 -0.246 0.000 1.336 180 I HN 0.333 nan 8.210 nan 0.000 0.467 181 K N 5.952 126.304 120.400 -0.079 0.000 2.489 181 K HA -0.064 4.256 4.320 -0.000 0.000 0.278 181 K C 0.230 176.780 176.600 -0.084 0.000 1.000 181 K CA 0.639 56.888 56.287 -0.063 0.000 1.012 181 K CB 0.526 33.009 32.500 -0.029 0.000 0.903 181 K HN 0.546 nan 8.250 nan 0.000 0.485 182 D N -0.183 120.161 120.400 -0.093 0.000 2.758 182 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 182 D C -0.380 175.841 176.300 -0.131 0.000 1.036 182 D CA 1.629 55.572 54.000 -0.095 0.000 1.030 182 D CB -1.117 39.669 40.800 -0.024 0.000 1.109 182 D HN 0.685 nan 8.370 nan 0.000 0.430 183 A N 1.154 123.843 122.820 -0.218 0.000 2.450 183 A HA 0.296 4.616 4.320 -0.000 0.000 0.255 183 A C 0.299 177.712 177.584 -0.284 0.000 1.096 183 A CA 0.239 52.103 52.037 -0.290 0.000 0.778 183 A CB 0.242 18.806 19.000 -0.727 0.000 1.031 183 A HN 0.245 nan 8.150 nan 0.000 0.494 184 H N 1.350 120.321 119.070 -0.166 0.000 2.481 184 H HA 0.407 4.963 4.556 -0.000 0.000 0.339 184 H C 0.914 176.189 175.328 -0.089 0.000 1.131 184 H CA 0.189 56.157 56.048 -0.134 0.000 1.301 184 H CB 1.542 31.243 29.762 -0.103 0.000 1.476 184 H HN 0.838 nan 8.280 nan 0.000 0.529 185 G N 1.938 110.743 108.800 0.009 0.000 2.503 185 G HA2 0.309 4.269 3.960 -0.000 0.000 0.257 185 G HA3 0.309 4.269 3.960 -0.000 0.000 0.257 185 G C 0.686 175.590 174.900 0.006 0.000 1.214 185 G CA -0.725 44.386 45.100 0.018 0.000 0.839 185 G HN 0.660 nan 8.290 nan 0.000 0.559 186 M N 0.502 120.103 119.600 0.001 0.000 2.131 186 M HA 0.339 4.819 4.480 -0.000 0.000 0.283 186 M C -0.267 175.971 176.300 -0.103 0.000 1.225 186 M CA -0.170 55.086 55.300 -0.072 0.000 1.153 186 M CB 0.198 32.764 32.600 -0.057 0.000 1.380 186 M HN 0.116 nan 8.290 nan 0.000 0.458 187 V N 2.485 122.283 119.914 -0.193 0.000 2.488 187 V HA 0.308 4.428 4.120 -0.000 0.000 0.277 187 V C 0.368 176.459 176.094 -0.005 0.000 1.046 187 V CA -0.395 61.812 62.300 -0.155 0.000 0.986 187 V CB 0.461 32.094 31.823 -0.317 0.000 0.989 187 V HN 0.646 nan 8.190 nan 0.000 0.475 188 L N 3.982 125.203 121.223 -0.004 0.000 2.334 188 L HA 0.379 4.718 4.340 -0.000 0.000 0.270 188 L C 1.174 178.003 176.870 -0.068 0.000 1.018 188 L CA -0.751 54.059 54.840 -0.050 0.000 0.811 188 L CB 1.378 43.364 42.059 -0.122 0.000 1.271 188 L HN 0.518 nan 8.230 nan 0.000 0.443 189 L N 1.589 122.645 121.223 -0.279 0.000 2.043 189 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 189 L C 2.177 178.963 176.870 -0.140 0.000 1.075 189 L CA 2.169 56.893 54.840 -0.194 0.000 0.752 189 L CB -0.617 41.274 42.059 -0.280 0.000 0.891 189 L HN 0.886 nan 8.230 nan 0.000 0.432 190 D N -1.840 118.308 120.400 -0.421 0.000 2.218 190 D HA -0.231 4.409 4.640 -0.000 0.000 0.204 190 D C 1.467 177.760 176.300 -0.012 0.000 0.976 190 D CA 1.246 55.167 54.000 -0.131 0.000 0.853 190 D CB -0.722 40.044 40.800 -0.057 0.000 0.939 190 D HN 0.396 nan 8.370 nan 0.000 0.481 191 D N 0.132 120.523 120.400 -0.016 0.000 2.190 191 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 191 D C 1.815 178.113 176.300 -0.003 0.000 0.992 191 D CA 0.705 54.691 54.000 -0.023 0.000 0.854 191 D CB -0.566 40.190 40.800 -0.074 0.000 0.936 191 D HN 0.287 nan 8.370 nan 0.000 0.462 192 F N 1.253 121.182 119.950 -0.035 0.000 2.134 192 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 192 F C 2.524 178.307 175.800 -0.028 0.000 1.097 192 F CA 1.084 59.081 58.000 -0.004 0.000 1.264 192 F CB -0.477 38.540 39.000 0.028 0.000 1.001 192 F HN -0.062 nan 8.300 nan 0.000 0.479 193 A N -1.571 121.340 122.820 0.153 0.000 1.903 193 A HA -0.083 4.237 4.320 -0.000 0.000 0.213 193 A C 2.308 179.903 177.584 0.019 0.000 1.185 193 A CA 1.350 53.430 52.037 0.072 0.000 0.628 193 A CB -1.114 17.925 19.000 0.065 0.000 0.830 193 A HN 0.254 nan 8.150 nan 0.000 0.446 194 S N -0.377 115.329 115.700 0.011 0.000 2.359 194 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 194 S C 1.948 176.514 174.600 -0.057 0.000 1.039 194 S CA 1.848 60.035 58.200 -0.022 0.000 1.042 194 S CB -0.517 62.667 63.200 -0.026 0.000 0.915 194 S HN 0.303 nan 8.310 nan 0.000 0.439 195 V N 1.442 121.310 119.914 -0.077 0.000 2.282 195 V HA -0.222 3.898 4.120 -0.000 0.000 0.249 195 V C 2.654 178.666 176.094 -0.136 0.000 1.057 195 V CA 2.514 64.739 62.300 -0.124 0.000 1.032 195 V CB -0.799 30.929 31.823 -0.157 0.000 0.645 195 V HN 0.579 nan 8.190 nan 0.000 0.447 196 Q N 0.152 119.895 119.800 -0.094 0.000 2.119 196 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 196 Q C 1.920 177.861 176.000 -0.099 0.000 0.972 196 Q CA 1.943 57.685 55.803 -0.102 0.000 0.847 196 Q CB -0.291 28.413 28.738 -0.056 0.000 0.903 196 Q HN 0.649 nan 8.270 nan 0.000 0.433 197 N N -0.134 118.524 118.700 -0.069 0.000 2.188 197 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 197 N C 1.653 177.116 175.510 -0.078 0.000 1.018 197 N CA 1.338 54.354 53.050 -0.057 0.000 0.858 197 N CB -0.132 38.336 38.487 -0.032 0.000 0.989 197 N HN 0.353 nan 8.380 nan 0.000 0.426 198 I N 0.236 120.747 120.570 -0.100 0.000 2.252 198 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 198 I C 1.750 177.765 176.117 -0.170 0.000 1.102 198 I CA 0.524 61.756 61.300 -0.113 0.000 1.385 198 I CB -0.077 37.854 38.000 -0.115 0.000 1.064 198 I HN -0.028 nan 8.210 nan 0.000 0.414 199 I N 1.202 121.613 120.570 -0.265 0.000 2.127 199 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 199 I C 2.145 178.117 176.117 -0.242 0.000 1.075 199 I CA 1.619 62.642 61.300 -0.462 0.000 1.334 199 I CB -0.806 36.767 38.000 -0.713 0.000 1.040 199 I HN 0.225 nan 8.210 nan 0.000 0.405 200 N N 0.699 119.315 118.700 -0.140 0.000 2.258 200 N HA -0.193 4.547 4.740 -0.000 0.000 0.187 200 N C 1.151 176.652 175.510 -0.015 0.000 1.012 200 N CA 1.335 54.358 53.050 -0.046 0.000 0.870 200 N CB -0.673 37.791 38.487 -0.039 0.000 0.977 200 N HN 0.528 nan 8.380 nan 0.000 0.434 201 N N -1.033 117.649 118.700 -0.031 0.000 2.270 201 N HA 0.039 4.779 4.740 -0.000 0.000 0.198 201 N C -0.527 174.983 175.510 0.000 0.000 1.117 201 N CA -0.164 52.879 53.050 -0.012 0.000 0.845 201 N CB 0.485 38.960 38.487 -0.020 0.000 0.980 201 N HN -0.055 nan 8.380 nan 0.000 0.486 202 S N 0.195 115.903 115.700 0.013 0.000 2.438 202 S HA 0.193 4.663 4.470 -0.000 0.000 0.293 202 S C 0.865 175.521 174.600 0.094 0.000 1.141 202 S CA -0.616 57.613 58.200 0.049 0.000 1.080 202 S CB 1.095 64.329 63.200 0.056 0.000 0.978 202 S HN 0.139 nan 8.310 nan 0.000 0.479 203 E N 3.166 123.401 120.200 0.059 0.000 2.072 203 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 203 E C 1.356 177.985 176.600 0.049 0.000 0.982 203 E CA 1.193 57.621 56.400 0.046 0.000 0.803 203 E CB -0.004 29.710 29.700 0.023 0.000 0.755 203 E HN 0.745 nan 8.360 nan 0.000 0.453 204 E N 0.604 120.836 120.200 0.052 0.000 2.097 204 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 204 E C 1.637 178.267 176.600 0.050 0.000 1.000 204 E CA 1.046 57.469 56.400 0.040 0.000 0.804 204 E CB -0.354 29.372 29.700 0.044 0.000 0.740 204 E HN 0.233 nan 8.360 nan 0.000 0.454 205 F N 0.690 120.622 119.950 -0.030 0.000 2.128 205 F HA -0.060 4.467 4.527 -0.000 0.000 0.295 205 F C 2.211 177.993 175.800 -0.029 0.000 1.100 205 F CA 1.289 59.269 58.000 -0.034 0.000 1.260 205 F CB -0.368 38.609 39.000 -0.039 0.000 1.009 205 F HN 0.032 nan 8.300 nan 0.000 0.476 206 A N 0.336 123.218 122.820 0.103 0.000 1.978 206 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 206 A C 2.347 179.885 177.584 -0.075 0.000 1.170 206 A CA 1.792 53.837 52.037 0.012 0.000 0.636 206 A CB -1.500 17.532 19.000 0.052 0.000 0.810 206 A HN 0.504 nan 8.150 nan 0.000 0.448 207 A N -0.109 122.673 122.820 -0.063 0.000 1.873 207 A HA 0.174 4.494 4.320 -0.000 0.000 0.215 207 A C 2.545 180.055 177.584 -0.123 0.000 1.186 207 A CA 2.097 54.090 52.037 -0.072 0.000 0.616 207 A CB -1.132 17.842 19.000 -0.043 0.000 0.823 207 A HN 1.089 nan 8.150 nan 0.000 0.442 208 A N -0.703 122.003 122.820 -0.190 0.000 1.883 208 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 208 A C 2.257 179.672 177.584 -0.281 0.000 1.186 208 A CA 1.909 53.800 52.037 -0.244 0.000 0.624 208 A CB -1.023 17.782 19.000 -0.326 0.000 0.822 208 A HN 0.415 nan 8.150 nan 0.000 0.444 209 V N 0.139 119.819 119.914 -0.390 0.000 2.427 209 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 209 V C 2.593 178.593 176.094 -0.156 0.000 1.051 209 V CA 2.532 64.644 62.300 -0.313 0.000 1.048 209 V CB -0.540 31.087 31.823 -0.326 0.000 0.666 209 V HN 0.759 nan 8.190 nan 0.000 0.456 210 K N 0.719 121.045 120.400 -0.123 0.000 2.002 210 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 210 K C 2.067 178.629 176.600 -0.063 0.000 1.048 210 K CA 1.738 57.982 56.287 -0.071 0.000 0.930 210 K CB -0.350 32.118 32.500 -0.054 0.000 0.714 210 K HN 0.339 nan 8.250 nan 0.000 0.438 211 K N 0.316 120.673 120.400 -0.072 0.000 2.077 211 K HA -0.178 4.142 4.320 -0.000 0.000 0.213 211 K C 1.728 178.298 176.600 -0.050 0.000 1.051 211 K CA 1.951 58.204 56.287 -0.057 0.000 0.929 211 K CB -0.221 32.242 32.500 -0.063 0.000 0.715 211 K HN 0.206 nan 8.250 nan 0.000 0.451 212 R N 0.013 120.473 120.500 -0.066 0.000 2.340 212 R HA 0.021 4.361 4.340 -0.000 0.000 0.215 212 R C 0.779 177.062 176.300 -0.029 0.000 1.017 212 R CA 0.705 56.775 56.100 -0.049 0.000 1.111 212 R CB 0.073 30.332 30.300 -0.068 0.000 1.049 212 R HN 0.517 nan 8.270 nan 0.000 0.490 213 G N 1.236 110.020 108.800 -0.026 0.000 2.141 213 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.231 213 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.231 213 G C 0.076 174.971 174.900 -0.009 0.000 0.984 213 G CA -0.489 44.605 45.100 -0.011 0.000 0.660 213 G HN 0.301 nan 8.290 nan 0.000 0.525 214 I N 2.002 122.560 120.570 -0.020 0.000 2.330 214 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 214 I C 1.772 177.880 176.117 -0.014 0.000 1.001 214 I CA 0.050 61.341 61.300 -0.014 0.000 1.193 214 I CB 1.567 39.555 38.000 -0.019 0.000 1.345 214 I HN 0.228 nan 8.210 nan 0.000 0.461 215 T N 0.070 114.620 114.554 -0.007 0.000 3.009 215 T HA 0.002 4.352 4.350 -0.000 0.000 0.258 215 T C 0.529 175.227 174.700 -0.003 0.000 1.063 215 T CA 0.381 62.477 62.100 -0.006 0.000 1.139 215 T CB 0.101 68.967 68.868 -0.003 0.000 0.890 215 T HN 0.435 nan 8.240 nan 0.000 0.471 216 D N 0.858 121.257 120.400 -0.001 0.000 2.453 216 D HA 0.617 5.257 4.640 -0.000 0.000 0.238 216 D C 0.769 177.074 176.300 0.009 0.000 1.088 216 D CA -0.526 53.475 54.000 0.003 0.000 0.854 216 D CB 1.419 42.219 40.800 0.001 0.000 1.076 216 D HN 0.165 nan 8.370 nan 0.000 0.533 217 A N 3.894 126.724 122.820 0.016 0.000 2.168 217 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 217 A C 1.723 179.332 177.584 0.041 0.000 1.152 217 A CA 0.800 52.859 52.037 0.037 0.000 0.716 217 A CB -0.002 19.029 19.000 0.052 0.000 0.794 217 A HN 0.358 nan 8.150 nan 0.000 0.465 218 K N 0.231 120.644 120.400 0.021 0.000 2.439 218 K HA 0.029 4.349 4.320 -0.000 0.000 0.197 218 K C 1.081 177.682 176.600 0.002 0.000 1.041 218 K CA 0.933 57.227 56.287 0.011 0.000 0.970 218 K CB -0.047 32.456 32.500 0.005 0.000 0.773 218 K HN 0.464 nan 8.250 nan 0.000 0.479 219 K N 0.054 120.457 120.400 0.005 0.000 2.410 219 K HA 0.146 4.466 4.320 -0.000 0.000 0.200 219 K C -0.574 176.027 176.600 0.003 0.000 1.023 219 K CA -0.100 56.185 56.287 -0.003 0.000 1.149 219 K CB 0.744 33.242 32.500 -0.004 0.000 0.859 219 K HN -0.173 nan 8.250 nan 0.000 0.514 220 V N 2.740 122.664 119.914 0.016 0.000 2.432 220 V HA 0.193 4.313 4.120 -0.000 0.000 0.275 220 V C -0.133 175.944 176.094 -0.028 0.000 1.043 220 V CA -0.576 61.744 62.300 0.033 0.000 0.925 220 V CB 1.169 33.058 31.823 0.111 0.000 0.985 220 V HN 0.149 nan 8.190 nan 0.000 0.466 221 I N 4.838 125.363 120.570 -0.075 0.000 2.362 221 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 221 I C 0.655 176.680 176.117 -0.155 0.000 0.994 221 I CA -0.163 60.995 61.300 -0.237 0.000 1.158 221 I CB 1.675 39.288 38.000 -0.644 0.000 1.315 221 I HN 0.677 nan 8.210 nan 0.000 0.451 222 T N 1.774 116.241 114.554 -0.145 0.000 2.899 222 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 222 T C 0.145 174.821 174.700 -0.040 0.000 1.004 222 T CA -0.604 61.443 62.100 -0.088 0.000 1.043 222 T CB 2.091 70.880 68.868 -0.131 0.000 1.013 222 T HN 0.624 nan 8.240 nan 0.000 0.518 223 T N 2.672 117.244 114.554 0.030 0.000 2.991 223 T HA 0.537 4.887 4.350 -0.000 0.000 0.303 223 T C -3.103 171.604 174.700 0.012 0.000 1.015 223 T CA -1.635 60.527 62.100 0.103 0.000 1.007 223 T CB 1.607 70.655 68.868 0.300 0.000 1.034 223 T HN 0.585 nan 8.240 nan 0.000 0.446 224 P HA 0.581 nan 4.420 nan 0.000 0.290 224 P C -1.386 175.871 177.300 -0.071 0.000 1.276 224 P CA -0.669 62.317 63.100 -0.190 0.000 0.808 224 P CB 1.231 32.663 31.700 -0.447 0.000 0.966 225 L N 2.447 123.637 121.223 -0.054 0.000 2.370 225 L HA 0.477 4.817 4.340 -0.000 0.000 0.266 225 L C 0.883 177.724 176.870 -0.049 0.000 1.002 225 L CA -0.351 54.472 54.840 -0.029 0.000 0.818 225 L CB 1.798 43.888 42.059 0.052 0.000 1.325 225 L HN 0.398 nan 8.230 nan 0.000 0.418 226 T N -1.576 112.942 114.554 -0.061 0.000 2.860 226 T HA 0.319 4.669 4.350 -0.000 0.000 0.299 226 T C 1.118 175.824 174.700 0.011 0.000 1.045 226 T CA -0.098 61.955 62.100 -0.079 0.000 1.071 226 T CB 1.061 69.863 68.868 -0.110 0.000 0.985 226 T HN 0.539 nan 8.240 nan 0.000 0.537 227 V N -1.207 118.682 119.914 -0.041 0.000 3.590 227 V HA 0.556 4.676 4.120 -0.000 0.000 0.265 227 V C 1.267 177.459 176.094 0.163 0.000 1.239 227 V CA 0.683 62.957 62.300 -0.043 0.000 1.117 227 V CB -1.537 30.182 31.823 -0.174 0.000 0.818 227 V HN 1.687 nan 8.190 nan 0.000 0.451 228 G N 0.151 109.018 108.800 0.112 0.000 2.584 228 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.229 228 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.229 228 G C -0.849 174.105 174.900 0.090 0.000 1.320 228 G CA 0.174 45.349 45.100 0.125 0.000 0.891 228 G HN 1.381 nan 8.290 nan 0.000 0.573 229 Y N -0.709 119.430 120.300 -0.268 0.000 2.396 229 Y HA 0.676 5.226 4.550 -0.000 0.000 0.332 229 Y C -0.429 174.961 175.900 -0.850 0.000 1.034 229 Y CA -1.346 56.513 58.100 -0.402 0.000 1.057 229 Y CB 1.379 39.585 38.460 -0.424 0.000 1.220 229 Y HN 0.558 nan 8.280 nan 0.000 0.440 230 F N 3.558 122.831 119.950 -1.128 0.000 2.837 230 F HA 0.215 4.742 4.527 -0.000 0.000 0.328 230 F C 0.351 175.475 175.800 -1.126 0.000 1.173 230 F CA -0.520 56.890 58.000 -0.982 0.000 1.160 230 F CB 0.518 39.344 39.000 -0.290 0.000 1.115 230 F HN 0.567 nan 8.300 nan 0.000 0.512 231 D N 1.088 120.462 120.400 -1.710 0.000 2.772 231 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 231 D C 1.405 177.480 176.300 -0.374 0.000 1.143 231 D CA 1.519 54.981 54.000 -0.896 0.000 0.700 231 D CB -0.983 39.596 40.800 -0.368 0.000 1.076 231 D HN 0.750 nan 8.370 nan 0.000 0.430 232 G N -0.419 108.165 108.800 -0.359 0.000 2.253 232 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.251 232 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.251 232 G C 1.209 176.043 174.900 -0.109 0.000 0.998 232 G CA 0.697 45.699 45.100 -0.164 0.000 0.621 232 G HN 0.432 nan 8.290 nan 0.000 0.524 233 K N 1.245 121.590 120.400 -0.093 0.000 2.360 233 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 233 K C 1.851 178.382 176.600 -0.115 0.000 1.046 233 K CA 1.587 57.833 56.287 -0.068 0.000 0.945 233 K CB -0.248 32.239 32.500 -0.021 0.000 0.750 233 K HN 0.748 nan 8.250 nan 0.000 0.464 234 D N -0.666 119.668 120.400 -0.109 0.000 2.349 234 D HA 0.021 4.661 4.640 -0.000 0.000 0.215 234 D C 1.104 177.358 176.300 -0.076 0.000 1.016 234 D CA 0.760 54.697 54.000 -0.104 0.000 0.870 234 D CB -0.090 40.664 40.800 -0.076 0.000 0.917 234 D HN 0.187 nan 8.370 nan 0.000 0.524 235 G N 0.206 108.961 108.800 -0.075 0.000 2.136 235 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 235 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 235 G C -0.149 174.716 174.900 -0.060 0.000 0.989 235 G CA 0.214 45.277 45.100 -0.062 0.000 0.682 235 G HN 0.389 nan 8.290 nan 0.000 0.522 236 L N 0.397 121.581 121.223 -0.065 0.000 2.322 236 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 236 L C 0.743 177.589 176.870 -0.041 0.000 1.014 236 L CA -1.012 53.792 54.840 -0.060 0.000 0.815 236 L CB 1.800 43.815 42.059 -0.073 0.000 1.247 236 L HN 0.192 nan 8.230 nan 0.000 0.421 237 K N 2.065 122.450 120.400 -0.026 0.000 2.270 237 K HA 0.027 4.347 4.320 -0.000 0.000 0.276 237 K C 0.512 177.130 176.600 0.029 0.000 1.023 237 K CA -0.237 56.048 56.287 -0.003 0.000 0.955 237 K CB 1.321 33.817 32.500 -0.006 0.000 0.975 237 K HN 0.515 nan 8.250 nan 0.000 0.471 238 Q N 2.340 122.176 119.800 0.059 0.000 2.378 238 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 238 Q C 0.293 176.393 176.000 0.167 0.000 0.954 238 Q CA 1.602 57.477 55.803 0.120 0.000 0.901 238 Q CB 0.375 29.200 28.738 0.145 0.000 0.981 238 Q HN 0.689 nan 8.270 nan 0.000 0.483 239 D N -0.148 120.299 120.400 0.079 0.000 2.323 239 D HA 0.110 4.749 4.640 -0.000 0.000 0.209 239 D C -0.176 176.119 176.300 -0.008 0.000 0.973 239 D CA 0.683 54.691 54.000 0.013 0.000 0.874 239 D CB -0.069 40.722 40.800 -0.014 0.000 0.930 239 D HN 0.293 nan 8.370 nan 0.000 0.521 240 A N 0.918 123.762 122.820 0.040 0.000 2.363 240 A HA 0.300 4.619 4.320 -0.000 0.000 0.270 240 A C 0.441 178.053 177.584 0.046 0.000 1.121 240 A CA -0.422 51.616 52.037 0.000 0.000 0.800 240 A CB 0.277 19.269 19.000 -0.013 0.000 1.052 240 A HN 0.017 nan 8.150 nan 0.000 0.493 241 R N 2.924 123.412 120.500 -0.021 0.000 2.291 241 R HA 0.444 4.784 4.340 -0.000 0.000 0.333 241 R C -1.197 175.085 176.300 -0.030 0.000 1.082 241 R CA 0.128 56.231 56.100 0.006 0.000 0.948 241 R CB -0.246 30.009 30.300 -0.075 0.000 1.009 241 R HN 0.692 nan 8.270 nan 0.000 0.460 242 L N 5.526 126.727 121.223 -0.036 0.000 2.341 242 L HA 0.627 4.967 4.340 -0.000 0.000 0.267 242 L C -0.678 176.119 176.870 -0.122 0.000 1.009 242 L CA -1.187 53.600 54.840 -0.088 0.000 0.819 242 L CB 2.009 44.011 42.059 -0.095 0.000 1.323 242 L HN 0.529 nan 8.230 nan 0.000 0.425 243 L N 1.227 122.362 121.223 -0.147 0.000 2.434 243 L HA 0.520 4.860 4.340 -0.000 0.000 0.260 243 L C -0.766 175.985 176.870 -0.198 0.000 0.983 243 L CA -0.778 53.959 54.840 -0.170 0.000 0.820 243 L CB 2.807 44.761 42.059 -0.174 0.000 1.361 243 L HN 0.524 nan 8.230 nan 0.000 0.410 244 K N 0.853 121.114 120.400 -0.231 0.000 2.106 244 K HA 0.771 5.091 4.320 -0.000 0.000 0.246 244 K C -1.282 175.220 176.600 -0.164 0.000 0.987 244 K CA -0.725 55.398 56.287 -0.274 0.000 0.904 244 K CB 2.319 34.479 32.500 -0.566 0.000 1.071 244 K HN 0.236 nan 8.250 nan 0.000 0.453 245 V N 3.498 123.328 119.914 -0.139 0.000 2.524 245 V HA 0.327 4.447 4.120 -0.000 0.000 0.297 245 V C -0.648 175.410 176.094 -0.059 0.000 1.035 245 V CA -0.914 61.324 62.300 -0.104 0.000 0.867 245 V CB 1.401 33.128 31.823 -0.159 0.000 1.004 245 V HN 0.600 nan 8.190 nan 0.000 0.426 246 I N 2.981 123.525 120.570 -0.043 0.000 2.498 246 I HA 0.623 4.793 4.170 -0.000 0.000 0.301 246 I C 0.380 176.413 176.117 -0.139 0.000 0.984 246 I CA 0.099 61.336 61.300 -0.105 0.000 1.204 246 I CB 2.112 40.035 38.000 -0.129 0.000 1.362 246 I HN 0.593 nan 8.210 nan 0.000 0.471 247 S N 4.605 120.143 115.700 -0.270 0.000 2.542 247 S HA 0.765 5.234 4.470 -0.000 0.000 0.293 247 S C -1.247 173.050 174.600 -0.505 0.000 1.089 247 S CA -0.466 57.609 58.200 -0.208 0.000 0.961 247 S CB 1.977 65.207 63.200 0.051 0.000 1.062 247 S HN 0.345 nan 8.310 nan 0.000 0.483 248 Y N 0.501 120.820 120.300 0.032 0.000 2.576 248 Y HA 0.649 5.199 4.550 -0.000 0.000 0.346 248 Y C -0.636 175.305 175.900 0.069 0.000 1.018 248 Y CA -1.135 57.025 58.100 0.100 0.000 1.050 248 Y CB 0.915 39.481 38.460 0.177 0.000 1.280 248 Y HN 0.460 nan 8.280 nan 0.000 0.474 249 L N 2.344 123.742 121.223 0.292 0.000 2.289 249 L HA 0.400 4.740 4.340 -0.000 0.000 0.285 249 L C -0.583 176.358 176.870 0.119 0.000 1.049 249 L CA -0.424 54.507 54.840 0.150 0.000 0.804 249 L CB 0.730 42.849 42.059 0.100 0.000 1.195 249 L HN 0.598 nan 8.230 nan 0.000 0.428 250 D N 3.309 123.736 120.400 0.046 0.000 2.336 250 D HA 0.128 4.768 4.640 -0.000 0.000 0.249 250 D C 0.607 176.866 176.300 -0.068 0.000 1.213 250 D CA -0.036 53.978 54.000 0.023 0.000 0.870 250 D CB 1.091 41.897 40.800 0.009 0.000 1.076 250 D HN 0.379 nan 8.370 nan 0.000 0.483 251 V N 1.624 121.434 119.914 -0.174 0.000 3.271 251 V HA 0.456 4.576 4.120 -0.000 0.000 0.327 251 V C 1.302 177.343 176.094 -0.088 0.000 1.389 251 V CA 0.256 62.446 62.300 -0.183 0.000 1.156 251 V CB -0.098 31.523 31.823 -0.337 0.000 1.103 251 V HN 0.697 nan 8.190 nan 0.000 0.453 252 G N 2.169 110.943 108.800 -0.043 0.000 2.159 252 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.256 252 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.256 252 G C 0.301 175.192 174.900 -0.016 0.000 0.977 252 G CA 0.537 45.624 45.100 -0.020 0.000 0.652 252 G HN 0.851 nan 8.290 nan 0.000 0.531 253 D N 0.028 120.431 120.400 0.004 0.000 2.319 253 D HA 0.378 5.018 4.640 -0.000 0.000 0.230 253 D C 1.816 178.076 176.300 -0.067 0.000 1.094 253 D CA 0.433 54.434 54.000 0.000 0.000 0.856 253 D CB -0.668 40.184 40.800 0.085 0.000 0.915 253 D HN 1.528 nan 8.370 nan 0.000 0.517 254 G N 0.743 109.513 108.800 -0.050 0.000 2.175 254 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.265 254 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.265 254 G C 0.298 175.146 174.900 -0.086 0.000 0.979 254 G CA 0.339 45.375 45.100 -0.106 0.000 0.663 254 G HN 0.595 nan 8.290 nan 0.000 0.533 255 N N -0.229 118.495 118.700 0.040 0.000 2.733 255 N HA 0.341 5.081 4.740 -0.000 0.000 0.271 255 N C 1.048 176.667 175.510 0.181 0.000 1.720 255 N CA -0.315 52.812 53.050 0.128 0.000 0.803 255 N CB -0.142 38.433 38.487 0.147 0.000 1.208 255 N HN 0.359 nan 8.380 nan 0.000 0.498 256 Y N -0.611 119.745 120.300 0.095 0.000 2.256 256 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 256 Y C 1.273 177.135 175.900 -0.064 0.000 1.155 256 Y CA 0.843 58.981 58.100 0.064 0.000 1.203 256 Y CB -0.808 37.557 38.460 -0.158 0.000 0.980 256 Y HN 0.266 nan 8.280 nan 0.000 0.530 257 W N 1.180 122.211 121.300 -0.448 0.000 2.359 257 W HA -0.139 4.521 4.660 -0.000 0.000 0.275 257 W C 2.306 178.874 176.519 0.082 0.000 1.217 257 W CA 1.453 58.536 57.345 -0.437 0.000 1.196 257 W CB -0.269 28.957 29.460 -0.389 0.000 1.129 257 W HN 0.227 nan 8.180 nan 0.000 0.566 258 A N -0.978 121.977 122.820 0.225 0.000 2.278 258 A HA 0.053 4.373 4.320 -0.000 0.000 0.212 258 A C 0.147 177.550 177.584 -0.302 0.000 1.213 258 A CA 0.354 52.465 52.037 0.123 0.000 0.840 258 A CB -0.582 18.355 19.000 -0.105 0.000 0.866 258 A HN 0.332 nan 8.150 nan 0.000 0.489 259 H N 0.326 119.669 119.070 0.455 0.000 2.439 259 H HA 0.226 4.782 4.556 -0.000 0.000 0.228 259 H C -3.038 172.531 175.328 0.401 0.000 1.423 259 H CA -1.887 54.382 56.048 0.369 0.000 1.386 259 H CB 0.155 30.088 29.762 0.284 0.000 1.641 259 H HN 0.288 nan 8.280 nan 0.000 0.508 260 P HA 0.144 nan 4.420 nan 0.000 0.275 260 P C 0.470 177.811 177.300 0.068 0.000 1.228 260 P CA -0.222 62.980 63.100 0.170 0.000 0.786 260 P CB 1.592 33.404 31.700 0.187 0.000 0.927 261 I N 1.781 122.308 120.570 -0.072 0.000 2.316 261 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 261 I C 0.909 176.998 176.117 -0.047 0.000 1.107 261 I CA -0.581 60.697 61.300 -0.037 0.000 1.219 261 I CB 0.105 38.075 38.000 -0.051 0.000 1.455 261 I HN 0.241 nan 8.210 nan 0.000 0.498 262 E N 5.520 125.728 120.200 0.013 0.000 2.373 262 E HA 0.109 4.459 4.350 -0.000 0.000 0.267 262 E C 0.351 176.973 176.600 0.036 0.000 1.032 262 E CA 0.516 56.947 56.400 0.051 0.000 0.889 262 E CB 0.361 30.125 29.700 0.108 0.000 0.984 262 E HN 0.444 nan 8.360 nan 0.000 0.425 263 N N 1.544 120.275 118.700 0.053 0.000 2.937 263 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 263 N C -1.236 174.281 175.510 0.013 0.000 1.069 263 N CA 0.551 53.633 53.050 0.053 0.000 0.822 263 N CB -1.429 37.091 38.487 0.055 0.000 1.122 263 N HN 0.319 nan 8.380 nan 0.000 0.554 264 L N 0.354 121.570 121.223 -0.012 0.000 2.372 264 L HA 0.637 4.977 4.340 -0.000 0.000 0.273 264 L C -0.992 175.879 176.870 0.001 0.000 0.989 264 L CA -0.770 54.056 54.840 -0.024 0.000 0.841 264 L CB 1.923 43.938 42.059 -0.074 0.000 1.225 264 L HN -0.114 nan 8.230 nan 0.000 0.414 265 V N 4.402 124.323 119.914 0.012 0.000 2.588 265 V HA 0.914 5.034 4.120 -0.000 0.000 0.304 265 V C 0.111 176.211 176.094 0.010 0.000 1.042 265 V CA -0.320 61.977 62.300 -0.005 0.000 0.877 265 V CB 1.458 33.251 31.823 -0.051 0.000 0.996 265 V HN 0.946 nan 8.190 nan 0.000 0.425 266 A N 4.106 126.933 122.820 0.012 0.000 2.340 266 A HA 0.904 5.224 4.320 -0.000 0.000 0.331 266 A C -0.838 176.678 177.584 -0.114 0.000 1.140 266 A CA -0.613 51.419 52.037 -0.008 0.000 0.801 266 A CB 1.723 20.733 19.000 0.017 0.000 1.234 266 A HN 0.693 nan 8.150 nan 0.000 0.469 267 V N 2.499 122.343 119.914 -0.116 0.000 2.384 267 V HA 0.410 4.530 4.120 -0.000 0.000 0.287 267 V C -0.390 175.628 176.094 -0.127 0.000 1.020 267 V CA -0.462 61.746 62.300 -0.153 0.000 0.850 267 V CB 1.302 33.032 31.823 -0.154 0.000 0.987 267 V HN 0.634 nan 8.190 nan 0.000 0.436 268 V N 3.857 123.687 119.914 -0.139 0.000 2.435 268 V HA 0.409 4.529 4.120 -0.000 0.000 0.290 268 V C -0.226 175.804 176.094 -0.107 0.000 1.030 268 V CA -0.525 61.701 62.300 -0.123 0.000 0.881 268 V CB 1.962 33.701 31.823 -0.141 0.000 0.983 268 V HN 0.881 nan 8.190 nan 0.000 0.445 269 D N 3.956 124.304 120.400 -0.087 0.000 2.317 269 D HA 0.291 4.931 4.640 -0.000 0.000 0.234 269 D C 0.671 176.927 176.300 -0.073 0.000 1.112 269 D CA -0.209 53.746 54.000 -0.075 0.000 0.840 269 D CB 1.787 42.551 40.800 -0.061 0.000 1.078 269 D HN 0.416 nan 8.370 nan 0.000 0.486 270 L N 3.000 124.178 121.223 -0.076 0.000 2.395 270 L HA -0.000 4.340 4.340 -0.000 0.000 0.218 270 L C 2.124 178.957 176.870 -0.062 0.000 1.130 270 L CA 0.472 55.269 54.840 -0.073 0.000 0.826 270 L CB 0.126 42.138 42.059 -0.079 0.000 0.941 270 L HN 0.378 nan 8.230 nan 0.000 0.451 271 E N -0.005 120.157 120.200 -0.064 0.000 2.122 271 E HA -0.114 4.235 4.350 -0.000 0.000 0.190 271 E C 1.963 178.538 176.600 -0.042 0.000 0.977 271 E CA 0.688 57.054 56.400 -0.056 0.000 0.820 271 E CB 0.071 29.729 29.700 -0.069 0.000 0.770 271 E HN 0.577 nan 8.360 nan 0.000 0.462 272 Q N 0.646 120.420 119.800 -0.043 0.000 2.436 272 Q HA -0.002 4.338 4.340 -0.000 0.000 0.209 272 Q C -0.048 175.930 176.000 -0.036 0.000 0.965 272 Q CA 0.169 55.951 55.803 -0.035 0.000 0.910 272 Q CB -0.065 28.652 28.738 -0.036 0.000 0.980 272 Q HN 0.098 nan 8.270 nan 0.000 0.491 273 K N 1.464 121.838 120.400 -0.043 0.000 3.278 273 K HA -0.228 4.091 4.320 -0.000 0.000 0.270 273 K C -0.706 175.865 176.600 -0.048 0.000 0.955 273 K CA 0.921 57.181 56.287 -0.045 0.000 0.723 273 K CB -1.448 31.032 32.500 -0.033 0.000 1.382 273 K HN 0.356 nan 8.250 nan 0.000 0.461 274 K N -1.222 119.145 120.400 -0.054 0.000 2.548 274 K HA 0.464 4.784 4.320 -0.000 0.000 0.282 274 K C -0.461 176.099 176.600 -0.065 0.000 1.006 274 K CA -1.167 55.087 56.287 -0.055 0.000 0.892 274 K CB 1.180 33.657 32.500 -0.039 0.000 1.499 274 K HN -0.013 nan 8.250 nan 0.000 0.433 275 I N 2.700 123.232 120.570 -0.064 0.000 2.598 275 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 275 I C 0.959 177.049 176.117 -0.045 0.000 1.140 275 I CA -0.331 60.931 61.300 -0.062 0.000 1.420 275 I CB 1.033 39.008 38.000 -0.041 0.000 1.387 275 I HN 0.594 nan 8.210 nan 0.000 0.553 276 V N 2.718 122.600 119.914 -0.053 0.000 3.319 276 V HA 0.391 4.511 4.120 -0.000 0.000 0.317 276 V C 0.190 176.259 176.094 -0.043 0.000 1.411 276 V CA -0.084 62.189 62.300 -0.045 0.000 1.112 276 V CB -0.346 31.447 31.823 -0.050 0.000 1.031 276 V HN 0.875 nan 8.190 nan 0.000 0.448 277 K N 0.672 121.048 120.400 -0.041 0.000 2.633 277 K HA 0.456 4.776 4.320 -0.000 0.000 0.268 277 K C -2.051 174.532 176.600 -0.027 0.000 1.005 277 K CA -0.544 55.720 56.287 -0.038 0.000 0.976 277 K CB 1.835 34.300 32.500 -0.058 0.000 1.372 277 K HN 0.272 nan 8.250 nan 0.000 0.420 278 I N 3.328 123.893 120.570 -0.007 0.000 2.441 278 I HA 0.334 4.504 4.170 -0.000 0.000 0.295 278 I C -0.403 175.709 176.117 -0.008 0.000 0.994 278 I CA -0.774 60.533 61.300 0.012 0.000 1.144 278 I CB 2.019 40.040 38.000 0.035 0.000 1.314 278 I HN 0.541 nan 8.210 nan 0.000 0.445 279 E N 5.786 125.980 120.200 -0.009 0.000 2.187 279 E HA 0.468 4.818 4.350 -0.000 0.000 0.268 279 E C -1.291 175.307 176.600 -0.004 0.000 0.896 279 E CA -0.734 55.662 56.400 -0.007 0.000 0.766 279 E CB 2.235 31.933 29.700 -0.003 0.000 1.142 279 E HN 0.493 nan 8.360 nan 0.000 0.408 280 E N 1.429 121.626 120.200 -0.005 0.000 2.256 280 E HA 0.520 4.870 4.350 -0.000 0.000 0.268 280 E C -0.489 176.113 176.600 0.003 0.000 0.877 280 E CA -0.748 55.644 56.400 -0.012 0.000 0.757 280 E CB 2.264 31.946 29.700 -0.030 0.000 1.183 280 E HN 0.571 nan 8.360 nan 0.000 0.418 281 G N 2.346 111.153 108.800 0.011 0.000 3.209 281 G HA2 0.571 4.531 3.960 -0.000 0.000 0.236 281 G HA3 0.571 4.531 3.960 -0.000 0.000 0.236 281 G C -2.647 172.263 174.900 0.017 0.000 1.329 281 G CA -1.413 43.700 45.100 0.023 0.000 1.015 281 G HN 0.236 nan 8.290 nan 0.000 0.571 282 P HA 0.225 nan 4.420 nan 0.000 0.268 282 P C -0.276 177.033 177.300 0.015 0.000 1.208 282 P CA -0.316 62.795 63.100 0.018 0.000 0.777 282 P CB 0.763 32.478 31.700 0.024 0.000 0.875 283 V N 3.452 123.370 119.914 0.007 0.000 2.488 283 V HA 0.158 4.278 4.120 -0.000 0.000 0.277 283 V C 0.286 176.389 176.094 0.014 0.000 1.046 283 V CA -0.027 62.275 62.300 0.004 0.000 0.986 283 V CB 1.187 33.007 31.823 -0.005 0.000 0.989 283 V HN 0.206 nan 8.190 nan 0.000 0.475 284 V N 7.185 127.112 119.914 0.021 0.000 2.444 284 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 284 V C -2.272 173.843 176.094 0.034 0.000 1.022 284 V CA -1.968 60.351 62.300 0.032 0.000 0.850 284 V CB 1.797 33.647 31.823 0.045 0.000 0.992 284 V HN 0.758 nan 8.190 nan 0.000 0.426 285 P HA 0.029 nan 4.420 nan 0.000 0.264 285 P C -0.227 177.113 177.300 0.067 0.000 1.183 285 P CA 0.082 63.208 63.100 0.044 0.000 0.763 285 P CB 0.341 32.067 31.700 0.043 0.000 0.807 286 V N 6.742 126.702 119.914 0.076 0.000 2.529 286 V HA 0.061 4.181 4.120 -0.000 0.000 0.292 286 V C -1.779 174.409 176.094 0.158 0.000 1.028 286 V CA -0.975 61.396 62.300 0.118 0.000 1.074 286 V CB 0.108 32.001 31.823 0.115 0.000 0.958 286 V HN 0.573 nan 8.190 nan 0.000 0.481 287 P HA 0.194 nan 4.420 nan 0.000 0.271 287 P C 0.421 177.934 177.300 0.356 0.000 1.220 287 P CA 0.016 63.249 63.100 0.222 0.000 0.768 287 P CB 0.552 32.365 31.700 0.189 0.000 0.848 288 M N -0.126 119.646 119.600 0.287 0.000 2.571 288 M HA 0.065 4.545 4.480 -0.000 0.000 0.259 288 M C 0.378 176.852 176.300 0.291 0.000 1.205 288 M CA 0.704 56.159 55.300 0.259 0.000 1.138 288 M CB -0.681 31.998 32.600 0.131 0.000 1.329 288 M HN 0.181 nan 8.290 nan 0.000 0.503 289 T N 2.590 117.312 114.554 0.280 0.000 2.908 289 T HA 0.248 4.598 4.350 -0.000 0.000 0.301 289 T C 0.411 175.304 174.700 0.321 0.000 1.019 289 T CA -0.165 62.080 62.100 0.243 0.000 1.152 289 T CB 0.493 69.494 68.868 0.222 0.000 0.966 289 T HN 0.347 nan 8.240 nan 0.000 0.540 290 A N 4.355 127.308 122.820 0.222 0.000 2.548 290 A HA 0.295 4.615 4.320 -0.000 0.000 0.247 290 A C 0.754 178.432 177.584 0.156 0.000 1.067 290 A CA -0.073 52.083 52.037 0.199 0.000 0.757 290 A CB 0.127 19.185 19.000 0.096 0.000 0.996 290 A HN 0.670 nan 8.150 nan 0.000 0.504 291 R N 2.948 123.532 120.500 0.140 0.000 2.674 291 R HA 0.257 4.597 4.340 -0.000 0.000 0.270 291 R C -3.046 173.222 176.300 -0.053 0.000 1.492 291 R CA -1.717 54.394 56.100 0.017 0.000 1.624 291 R CB 0.708 30.997 30.300 -0.018 0.000 1.307 291 R HN 0.554 nan 8.270 nan 0.000 0.683 292 P HA 0.024 nan 4.420 nan 0.000 0.269 292 P C 0.197 177.395 177.300 -0.171 0.000 1.209 292 P CA -0.009 62.976 63.100 -0.192 0.000 0.776 292 P CB 0.326 31.928 31.700 -0.164 0.000 0.876 293 F N -0.110 119.767 119.950 -0.122 0.000 2.706 293 F HA 0.264 4.791 4.527 -0.000 0.000 0.313 293 F C 0.875 176.616 175.800 -0.098 0.000 1.096 293 F CA -0.387 57.527 58.000 -0.143 0.000 1.219 293 F CB -0.703 38.181 39.000 -0.194 0.000 1.051 293 F HN 0.117 nan 8.300 nan 0.000 0.568 294 D N 0.105 120.307 120.400 -0.330 0.000 2.328 294 D HA 0.235 4.875 4.640 -0.000 0.000 0.221 294 D C 1.824 178.075 176.300 -0.082 0.000 1.072 294 D CA 0.483 54.389 54.000 -0.158 0.000 0.850 294 D CB 0.033 40.655 40.800 -0.296 0.000 0.922 294 D HN 0.477 nan 8.370 nan 0.000 0.516 295 G N 1.919 110.677 108.800 -0.070 0.000 2.176 295 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.253 295 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.253 295 G C 1.257 176.127 174.900 -0.049 0.000 0.979 295 G CA 0.415 45.490 45.100 -0.042 0.000 0.641 295 G HN 0.571 nan 8.290 nan 0.000 0.530 296 R N 0.614 121.070 120.500 -0.073 0.000 2.200 296 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 296 R C 1.287 177.563 176.300 -0.040 0.000 1.127 296 R CA 1.993 58.057 56.100 -0.059 0.000 0.989 296 R CB -0.400 29.854 30.300 -0.076 0.000 0.869 296 R HN 0.449 nan 8.270 nan 0.000 0.459 297 D N -0.324 120.053 120.400 -0.038 0.000 2.462 297 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 297 D C -0.104 176.187 176.300 -0.015 0.000 1.173 297 D CA -0.340 53.647 54.000 -0.022 0.000 0.831 297 D CB 0.299 41.087 40.800 -0.019 0.000 1.001 297 D HN 0.047 nan 8.370 nan 0.000 0.499 298 R N -0.297 120.193 120.500 -0.016 0.000 2.836 298 R HA 0.699 5.038 4.340 -0.000 0.000 0.269 298 R C -1.126 175.169 176.300 -0.008 0.000 1.010 298 R CA -0.973 55.122 56.100 -0.010 0.000 0.930 298 R CB 2.417 32.711 30.300 -0.011 0.000 1.218 298 R HN -0.131 nan 8.270 nan 0.000 0.473 299 V N 0.729 120.641 119.914 -0.004 0.000 2.569 299 V HA 0.497 4.617 4.120 -0.000 0.000 0.301 299 V C -0.022 176.072 176.094 -0.001 0.000 1.044 299 V CA -1.131 61.167 62.300 -0.002 0.000 0.874 299 V CB 1.627 33.450 31.823 -0.000 0.000 1.002 299 V HN 0.933 nan 8.190 nan 0.000 0.424 300 A N 6.584 129.403 122.820 -0.001 0.000 2.371 300 A HA 0.802 5.122 4.320 -0.000 0.000 0.257 300 A C -1.821 175.764 177.584 0.001 0.000 1.089 300 A CA -0.965 51.072 52.037 -0.000 0.000 0.794 300 A CB -0.104 18.895 19.000 -0.001 0.000 1.029 300 A HN 0.714 nan 8.150 nan 0.000 0.488 301 P HA 0.431 nan 4.420 nan 0.000 0.275 301 P C -0.198 177.103 177.300 0.002 0.000 1.228 301 P CA -0.126 62.976 63.100 0.003 0.000 0.786 301 P CB 0.891 32.593 31.700 0.003 0.000 0.927 302 A N 1.856 124.678 122.820 0.003 0.000 2.425 302 A HA 0.469 4.789 4.320 -0.000 0.000 0.242 302 A C -0.199 177.386 177.584 0.002 0.000 1.077 302 A CA -0.113 51.926 52.037 0.003 0.000 0.781 302 A CB 0.177 19.179 19.000 0.003 0.000 1.020 302 A HN 0.419 nan 8.150 nan 0.000 0.494 303 V N 2.811 122.727 119.914 0.002 0.000 2.969 303 V HA 0.267 4.387 4.120 -0.000 0.000 0.304 303 V C -0.755 175.340 176.094 0.002 0.000 1.192 303 V CA -1.069 61.232 62.300 0.001 0.000 0.962 303 V CB 2.375 34.198 31.823 0.001 0.000 1.045 303 V HN 0.979 nan 8.190 nan 0.000 0.428 304 K N 4.490 124.890 120.400 0.000 0.000 2.326 304 K HA 0.342 4.662 4.320 -0.000 0.000 0.275 304 K C -2.220 174.381 176.600 0.002 0.000 1.018 304 K CA -1.240 55.047 56.287 0.000 0.000 0.962 304 K CB 0.342 32.840 32.500 -0.003 0.000 0.953 304 K HN 0.482 nan 8.250 nan 0.000 0.475 305 P HA 0.068 nan 4.420 nan 0.000 0.268 305 P C -0.572 176.732 177.300 0.007 0.000 1.204 305 P CA 0.007 63.112 63.100 0.008 0.000 0.768 305 P CB 0.590 32.297 31.700 0.013 0.000 0.842 306 M N 2.699 122.303 119.600 0.007 0.000 2.321 306 M HA 0.287 4.767 4.480 -0.000 0.000 0.315 306 M C -1.122 175.187 176.300 0.016 0.000 1.052 306 M CA -0.413 54.891 55.300 0.007 0.000 0.936 306 M CB 1.951 34.552 32.600 0.001 0.000 1.639 306 M HN 0.341 nan 8.290 nan 0.000 0.433 307 Q N 4.503 124.318 119.800 0.024 0.000 2.375 307 Q HA 0.604 4.944 4.340 -0.000 0.000 0.271 307 Q C -1.351 174.674 176.000 0.041 0.000 1.074 307 Q CA -0.707 55.121 55.803 0.041 0.000 0.808 307 Q CB 3.264 32.043 28.738 0.067 0.000 1.327 307 Q HN 0.732 nan 8.270 nan 0.000 0.441 308 I N 4.248 124.847 120.570 0.049 0.000 2.359 308 I HA 0.386 4.556 4.170 -0.000 0.000 0.284 308 I C -0.229 175.935 176.117 0.079 0.000 1.018 308 I CA -0.627 60.704 61.300 0.051 0.000 1.173 308 I CB 0.513 38.541 38.000 0.047 0.000 1.326 308 I HN 0.498 nan 8.210 nan 0.000 0.462 309 I N 2.655 123.264 120.570 0.065 0.000 2.562 309 I HA 0.597 4.767 4.170 -0.000 0.000 0.301 309 I C -0.634 175.467 176.117 -0.026 0.000 1.003 309 I CA -0.530 60.813 61.300 0.071 0.000 1.127 309 I CB 2.002 40.054 38.000 0.087 0.000 1.304 309 I HN 0.492 nan 8.210 nan 0.000 0.446 310 E N 5.855 126.019 120.200 -0.061 0.000 2.675 310 E HA 0.267 4.617 4.350 -0.000 0.000 0.236 310 E C -2.170 174.270 176.600 -0.266 0.000 1.059 310 E CA -1.489 54.846 56.400 -0.110 0.000 0.775 310 E CB 1.510 31.204 29.700 -0.010 0.000 1.356 310 E HN 0.559 nan 8.360 nan 0.000 0.403 311 P HA -0.037 nan 4.420 nan 0.000 0.241 311 P C 0.239 177.364 177.300 -0.291 0.000 1.191 311 P CA 0.633 63.220 63.100 -0.856 0.000 0.771 311 P CB 0.431 31.605 31.700 -0.878 0.000 0.929 312 E N -0.057 120.044 120.200 -0.165 0.000 2.465 312 E HA 0.367 4.717 4.350 -0.000 0.000 0.195 312 E C 0.842 177.413 176.600 -0.049 0.000 1.028 312 E CA -0.109 56.248 56.400 -0.073 0.000 0.899 312 E CB 0.177 29.842 29.700 -0.059 0.000 1.032 312 E HN 0.159 nan 8.360 nan 0.000 0.468 313 G N 1.535 110.305 108.800 -0.049 0.000 2.660 313 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.247 313 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.247 313 G C -0.814 174.029 174.900 -0.095 0.000 1.328 313 G CA -0.951 44.124 45.100 -0.042 0.000 0.884 313 G HN -0.034 nan 8.290 nan 0.000 0.531 314 K N 0.505 120.788 120.400 -0.195 0.000 2.087 314 K HA 0.417 4.737 4.320 -0.000 0.000 0.255 314 K C 1.064 177.519 176.600 -0.242 0.000 0.988 314 K CA -0.926 55.139 56.287 -0.369 0.000 0.915 314 K CB 0.777 32.684 32.500 -0.988 0.000 1.043 314 K HN 0.474 nan 8.250 nan 0.000 0.457 315 N N 0.713 119.354 118.700 -0.098 0.000 2.446 315 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 315 N C 0.089 175.724 175.510 0.207 0.000 1.054 315 N CA 0.483 53.589 53.050 0.092 0.000 0.905 315 N CB 0.008 38.634 38.487 0.232 0.000 0.973 315 N HN 0.499 nan 8.380 nan 0.000 0.448 316 Y N -0.376 120.071 120.300 0.245 0.000 2.354 316 Y HA 0.631 5.181 4.550 -0.000 0.000 0.322 316 Y C 0.208 176.129 175.900 0.034 0.000 1.253 316 Y CA -0.937 57.261 58.100 0.162 0.000 1.272 316 Y CB 0.473 38.973 38.460 0.066 0.000 1.255 316 Y HN -0.347 nan 8.280 nan 0.000 0.500 317 T N 3.749 118.414 114.554 0.186 0.000 2.861 317 T HA 0.569 4.919 4.350 -0.000 0.000 0.287 317 T C -0.722 173.980 174.700 0.003 0.000 1.003 317 T CA -0.610 61.519 62.100 0.047 0.000 0.977 317 T CB 0.842 69.755 68.868 0.076 0.000 0.996 317 T HN 0.597 nan 8.240 nan 0.000 0.448 318 I N 2.938 123.432 120.570 -0.126 0.000 2.437 318 I HA 0.270 4.440 4.170 -0.000 0.000 0.279 318 I C -0.075 176.035 176.117 -0.011 0.000 1.028 318 I CA -0.568 60.645 61.300 -0.145 0.000 1.142 318 I CB 1.419 39.220 38.000 -0.331 0.000 1.266 318 I HN 0.508 nan 8.210 nan 0.000 0.461 319 T N 5.246 119.811 114.554 0.018 0.000 2.853 319 T HA 0.481 4.830 4.350 -0.000 0.000 0.317 319 T C 0.881 175.630 174.700 0.080 0.000 1.059 319 T CA 0.303 62.445 62.100 0.070 0.000 0.954 319 T CB 1.224 70.127 68.868 0.059 0.000 0.994 319 T HN 1.012 nan 8.240 nan 0.000 0.479 320 G N 4.217 113.081 108.800 0.106 0.000 2.602 320 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.310 320 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.310 320 G C 0.454 175.372 174.900 0.030 0.000 1.183 320 G CA 0.511 45.658 45.100 0.079 0.000 0.979 320 G HN 0.647 nan 8.290 nan 0.000 0.545 321 D N 1.110 121.474 120.400 -0.060 0.000 2.369 321 D HA 0.218 4.858 4.640 -0.000 0.000 0.211 321 D C 1.091 177.203 176.300 -0.313 0.000 1.077 321 D CA 0.093 53.948 54.000 -0.243 0.000 0.842 321 D CB 0.254 40.757 40.800 -0.495 0.000 0.947 321 D HN 0.331 nan 8.370 nan 0.000 0.509 322 M N 1.178 120.699 119.600 -0.132 0.000 2.162 322 M HA 0.273 4.753 4.480 -0.000 0.000 0.356 322 M C -0.116 176.042 176.300 -0.237 0.000 1.303 322 M CA 0.155 55.378 55.300 -0.129 0.000 1.116 322 M CB 1.578 34.211 32.600 0.055 0.000 1.632 322 M HN -0.269 nan 8.290 nan 0.000 0.469 323 I N 2.456 122.724 120.570 -0.504 0.000 2.404 323 I HA 0.274 4.444 4.170 -0.000 0.000 0.293 323 I C -0.627 175.259 176.117 -0.385 0.000 0.992 323 I CA -0.706 60.253 61.300 -0.568 0.000 1.149 323 I CB 1.406 38.783 38.000 -1.037 0.000 1.315 323 I HN 0.599 nan 8.210 nan 0.000 0.446 324 H N 5.620 124.593 119.070 -0.161 0.000 2.505 324 H HA 0.474 5.030 4.556 -0.000 0.000 0.338 324 H C -1.885 173.563 175.328 0.199 0.000 1.057 324 H CA -0.620 55.431 56.048 0.005 0.000 1.202 324 H CB 1.248 31.018 29.762 0.013 0.000 1.466 324 H HN 0.589 nan 8.280 nan 0.000 0.499 325 W N 8.789 129.749 121.300 -0.567 0.000 3.268 325 W HA 0.381 5.041 4.660 -0.000 0.000 0.330 325 W C -0.825 175.541 176.519 -0.255 0.000 1.074 325 W CA -0.538 56.629 57.345 -0.296 0.000 1.263 325 W CB 0.558 30.012 29.460 -0.011 0.000 1.250 325 W HN 0.926 nan 8.180 nan 0.000 0.425 326 R N 2.035 122.043 120.500 -0.821 0.000 3.923 326 R HA -0.331 4.009 4.340 -0.000 0.000 0.400 326 R C 0.631 176.615 176.300 -0.526 0.000 0.241 326 R CA 1.771 57.432 56.100 -0.731 0.000 1.284 326 R CB -1.277 28.376 30.300 -1.079 0.000 1.006 326 R HN 0.667 nan 8.270 nan 0.000 0.559 327 N N 0.515 118.849 118.700 -0.610 0.000 2.398 327 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 327 N C 0.047 175.127 175.510 -0.717 0.000 1.122 327 N CA 0.453 53.039 53.050 -0.773 0.000 0.866 327 N CB 0.020 37.688 38.487 -1.365 0.000 0.970 327 N HN 0.212 nan 8.380 nan 0.000 0.462 328 W N 1.323 122.491 121.300 -0.219 0.000 2.376 328 W HA 0.340 5.000 4.660 -0.000 0.000 0.322 328 W C 0.022 176.589 176.519 0.079 0.000 1.160 328 W CA -0.619 56.759 57.345 0.055 0.000 1.218 328 W CB 1.123 30.746 29.460 0.271 0.000 1.205 328 W HN -0.229 nan 8.180 nan 0.000 0.559 329 D N 2.929 123.627 120.400 0.496 0.000 2.780 329 D HA 0.478 5.118 4.640 -0.000 0.000 0.242 329 D C -0.951 175.601 176.300 0.420 0.000 1.135 329 D CA -0.323 53.876 54.000 0.332 0.000 0.859 329 D CB 2.325 43.300 40.800 0.292 0.000 1.530 329 D HN 0.233 nan 8.370 nan 0.000 0.493 330 F N -1.292 118.705 119.950 0.077 0.000 2.741 330 F HA 0.396 4.922 4.527 -0.000 0.000 0.313 330 F C -1.399 174.390 175.800 -0.018 0.000 1.153 330 F CA -1.034 56.978 58.000 0.021 0.000 0.931 330 F CB 1.663 40.604 39.000 -0.098 0.000 1.335 330 F HN 0.202 nan 8.300 nan 0.000 0.460 331 H N 1.664 120.718 119.070 -0.026 0.000 2.469 331 H HA 0.713 5.269 4.556 -0.000 0.000 0.342 331 H C -2.018 173.222 175.328 -0.147 0.000 1.115 331 H CA -0.824 55.073 56.048 -0.251 0.000 1.204 331 H CB 2.206 31.655 29.762 -0.521 0.000 1.492 331 H HN 0.834 nan 8.280 nan 0.000 0.499 332 L N 4.877 125.730 121.223 -0.617 0.000 2.372 332 L HA 0.347 4.687 4.340 -0.000 0.000 0.274 332 L C -0.993 175.563 176.870 -0.522 0.000 0.988 332 L CA -0.183 54.423 54.840 -0.389 0.000 0.833 332 L CB 1.310 43.242 42.059 -0.211 0.000 1.236 332 L HN 0.666 nan 8.230 nan 0.000 0.410 333 S N 4.094 119.573 115.700 -0.369 0.000 2.667 333 S HA 0.859 5.329 4.470 -0.000 0.000 0.292 333 S C -0.721 173.735 174.600 -0.239 0.000 1.126 333 S CA -0.897 57.142 58.200 -0.269 0.000 0.881 333 S CB 1.753 64.872 63.200 -0.134 0.000 1.132 333 S HN 0.645 nan 8.310 nan 0.000 0.492 334 M N 2.823 122.311 119.600 -0.187 0.000 2.311 334 M HA 0.486 4.966 4.480 -0.000 0.000 0.325 334 M C -0.976 175.237 176.300 -0.145 0.000 1.061 334 M CA -0.523 54.657 55.300 -0.200 0.000 0.957 334 M CB 1.505 34.019 32.600 -0.143 0.000 1.646 334 M HN 0.875 nan 8.290 nan 0.000 0.434 335 N N 1.440 120.040 118.700 -0.165 0.000 2.314 335 N HA 0.290 5.030 4.740 -0.000 0.000 0.304 335 N C 0.173 175.652 175.510 -0.052 0.000 1.073 335 N CA 0.121 53.117 53.050 -0.091 0.000 0.822 335 N CB 1.687 40.124 38.487 -0.082 0.000 1.280 335 N HN 0.858 nan 8.380 nan 0.000 0.489 336 S N 3.054 118.757 115.700 0.004 0.000 2.447 336 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 336 S C 1.710 176.354 174.600 0.073 0.000 1.006 336 S CA 0.548 58.780 58.200 0.052 0.000 0.957 336 S CB 0.043 63.282 63.200 0.066 0.000 0.773 336 S HN 0.695 nan 8.310 nan 0.000 0.507 337 R N 0.918 121.441 120.500 0.039 0.000 2.064 337 R HA 0.075 4.415 4.340 -0.000 0.000 0.221 337 R C 2.006 178.344 176.300 0.063 0.000 1.136 337 R CA 1.598 57.715 56.100 0.029 0.000 0.980 337 R CB -0.080 30.186 30.300 -0.058 0.000 0.876 337 R HN 0.477 nan 8.270 nan 0.000 0.437 338 V N -2.513 117.412 119.914 0.020 0.000 3.578 338 V HA 0.460 4.580 4.120 -0.000 0.000 0.290 338 V C 0.799 176.736 176.094 -0.260 0.000 1.376 338 V CA 0.362 62.655 62.300 -0.011 0.000 1.083 338 V CB 0.098 31.930 31.823 0.015 0.000 0.911 338 V HN 0.628 nan 8.190 nan 0.000 0.433 339 G N 1.452 110.024 108.800 -0.380 0.000 2.496 339 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.243 339 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.243 339 G C -2.680 171.719 174.900 -0.835 0.000 1.176 339 G CA -0.130 44.356 45.100 -1.024 0.000 0.940 339 G HN 0.604 nan 8.290 nan 0.000 0.573 340 P HA 0.482 nan 4.420 nan 0.000 0.275 340 P C -0.509 176.448 177.300 -0.572 0.000 1.227 340 P CA 0.233 62.930 63.100 -0.673 0.000 0.781 340 P CB 0.819 32.148 31.700 -0.619 0.000 0.906 341 M N 3.221 122.536 119.600 -0.474 0.000 2.259 341 M HA 0.472 4.951 4.480 -0.000 0.000 0.304 341 M C -0.320 175.727 176.300 -0.422 0.000 1.019 341 M CA -0.524 54.517 55.300 -0.432 0.000 0.922 341 M CB 2.240 34.668 32.600 -0.287 0.000 1.600 341 M HN 0.150 nan 8.290 nan 0.000 0.433 342 I N 2.155 122.427 120.570 -0.497 0.000 2.382 342 I HA 0.479 4.649 4.170 -0.000 0.000 0.286 342 I C -0.532 175.433 176.117 -0.253 0.000 1.002 342 I CA -0.229 60.855 61.300 -0.359 0.000 1.135 342 I CB 1.809 39.473 38.000 -0.560 0.000 1.288 342 I HN 0.658 nan 8.210 nan 0.000 0.448 343 S N 2.226 117.845 115.700 -0.135 0.000 2.632 343 S HA 0.424 4.893 4.470 -0.000 0.000 0.289 343 S C -0.024 174.466 174.600 -0.182 0.000 1.115 343 S CA -0.585 57.448 58.200 -0.279 0.000 0.889 343 S CB 1.948 64.926 63.200 -0.371 0.000 1.116 343 S HN 0.843 nan 8.310 nan 0.000 0.486 344 T N -1.405 112.873 114.554 -0.460 0.000 3.549 344 T HA -0.154 4.196 4.350 -0.000 0.000 0.398 344 T C -0.088 174.724 174.700 0.188 0.000 0.766 344 T CA 0.082 61.929 62.100 -0.421 0.000 2.007 344 T CB -2.489 66.238 68.868 -0.235 0.000 1.727 344 T HN 0.474 nan 8.240 nan 0.000 0.693 345 V N 2.408 122.521 119.914 0.332 0.000 2.498 345 V HA 0.705 4.825 4.120 -0.000 0.000 0.279 345 V C 1.093 177.578 176.094 0.650 0.000 1.048 345 V CA 0.156 62.758 62.300 0.504 0.000 0.967 345 V CB 1.299 33.368 31.823 0.409 0.000 0.988 345 V HN 1.039 nan 8.190 nan 0.000 0.473 346 T N 1.817 116.748 114.554 0.629 0.000 2.896 346 T HA 0.615 4.965 4.350 -0.000 0.000 0.297 346 T C -1.235 173.745 174.700 0.468 0.000 1.108 346 T CA -0.729 61.680 62.100 0.515 0.000 1.004 346 T CB 1.743 70.848 68.868 0.394 0.000 1.159 346 T HN 0.408 nan 8.240 nan 0.000 0.499 347 Y N 1.927 122.338 120.300 0.185 0.000 2.335 347 Y HA 0.491 5.041 4.550 -0.000 0.000 0.338 347 Y C 0.044 175.985 175.900 0.068 0.000 0.977 347 Y CA -1.037 57.028 58.100 -0.058 0.000 1.114 347 Y CB 1.377 39.775 38.460 -0.103 0.000 1.182 347 Y HN 0.767 nan 8.280 nan 0.000 0.463 348 N N 4.990 123.566 118.700 -0.205 0.000 2.415 348 N HA -0.007 4.733 4.740 -0.000 0.000 0.250 348 N C -1.322 174.239 175.510 0.086 0.000 1.127 348 N CA 0.157 53.182 53.050 -0.041 0.000 0.945 348 N CB 0.203 38.636 38.487 -0.090 0.000 1.196 348 N HN 0.652 nan 8.380 nan 0.000 0.499 349 D N 2.969 123.534 120.400 0.275 0.000 2.456 349 D HA 0.110 4.750 4.640 -0.000 0.000 0.219 349 D C 0.117 176.515 176.300 0.165 0.000 1.126 349 D CA -0.228 53.983 54.000 0.352 0.000 0.890 349 D CB -0.470 40.559 40.800 0.382 0.000 1.025 349 D HN 0.571 nan 8.370 nan 0.000 0.511 350 N N 3.134 121.901 118.700 0.112 0.000 2.716 350 N HA -0.263 4.477 4.740 -0.000 0.000 0.250 350 N C 0.908 176.439 175.510 0.035 0.000 1.033 350 N CA 1.693 54.776 53.050 0.054 0.000 0.727 350 N CB -0.919 37.601 38.487 0.055 0.000 0.950 350 N HN 0.722 nan 8.380 nan 0.000 0.541 351 G N -3.243 105.575 108.800 0.030 0.000 2.253 351 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.209 351 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.209 351 G C 0.105 175.020 174.900 0.025 0.000 0.997 351 G CA 0.128 45.238 45.100 0.018 0.000 0.640 351 G HN 0.561 nan 8.290 nan 0.000 0.496 352 T N 2.215 116.795 114.554 0.044 0.000 2.772 352 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 352 T C -0.037 174.706 174.700 0.071 0.000 0.994 352 T CA -0.469 61.656 62.100 0.041 0.000 0.951 352 T CB 1.594 70.478 68.868 0.026 0.000 0.933 352 T HN 0.273 nan 8.240 nan 0.000 0.447 353 K N 3.821 124.260 120.400 0.065 0.000 2.378 353 K HA 0.237 4.557 4.320 -0.000 0.000 0.288 353 K C 0.222 176.876 176.600 0.090 0.000 1.057 353 K CA 0.030 56.377 56.287 0.100 0.000 0.971 353 K CB 0.644 33.207 32.500 0.105 0.000 0.975 353 K HN 0.377 nan 8.250 nan 0.000 0.475 354 R N 2.774 123.366 120.500 0.153 0.000 2.514 354 R HA 0.235 4.575 4.340 -0.000 0.000 0.301 354 R C -0.406 176.008 176.300 0.191 0.000 0.962 354 R CA -0.876 55.302 56.100 0.130 0.000 0.882 354 R CB 1.603 31.992 30.300 0.148 0.000 1.143 354 R HN 0.342 nan 8.270 nan 0.000 0.452 355 K N 1.189 121.604 120.400 0.025 0.000 2.326 355 K HA 0.097 4.417 4.320 -0.000 0.000 0.275 355 K C 0.259 176.976 176.600 0.195 0.000 1.018 355 K CA -0.205 56.061 56.287 -0.035 0.000 0.962 355 K CB 1.102 33.326 32.500 -0.461 0.000 0.953 355 K HN 0.312 nan 8.250 nan 0.000 0.475 356 V N 1.926 121.997 119.914 0.261 0.000 3.054 356 V HA 0.155 4.275 4.120 -0.000 0.000 0.227 356 V C 0.036 176.202 176.094 0.120 0.000 1.252 356 V CA 0.079 62.433 62.300 0.089 0.000 1.279 356 V CB 0.337 32.200 31.823 0.068 0.000 1.118 356 V HN 0.739 nan 8.190 nan 0.000 0.504 357 M N -1.018 118.761 119.600 0.299 0.000 2.224 357 M HA 0.370 4.850 4.480 -0.000 0.000 0.281 357 M C -0.087 176.422 176.300 0.349 0.000 1.025 357 M CA -0.600 54.848 55.300 0.246 0.000 0.954 357 M CB 2.269 34.923 32.600 0.090 0.000 1.639 357 M HN 0.302 nan 8.290 nan 0.000 0.461 358 Y N 3.679 124.112 120.300 0.222 0.000 2.184 358 Y HA 0.237 4.787 4.550 -0.000 0.000 0.290 358 Y C -0.221 175.558 175.900 -0.201 0.000 1.129 358 Y CA 1.549 59.602 58.100 -0.078 0.000 1.144 358 Y CB 0.604 39.020 38.460 -0.073 0.000 0.995 358 Y HN 0.642 nan 8.280 nan 0.000 0.513 359 E N -1.049 119.010 120.200 -0.236 0.000 2.321 359 E HA 0.480 4.830 4.350 -0.000 0.000 0.281 359 E C -1.385 175.113 176.600 -0.170 0.000 0.910 359 E CA -0.348 55.862 56.400 -0.316 0.000 0.770 359 E CB 1.873 31.405 29.700 -0.280 0.000 1.225 359 E HN 0.291 nan 8.360 nan 0.000 0.417 360 G N 0.925 109.593 108.800 -0.220 0.000 2.638 360 G HA2 0.666 4.625 3.960 -0.000 0.000 0.302 360 G HA3 0.666 4.625 3.960 -0.000 0.000 0.302 360 G C -0.931 173.783 174.900 -0.309 0.000 1.365 360 G CA -0.403 44.609 45.100 -0.148 0.000 0.987 360 G HN 0.446 nan 8.290 nan 0.000 0.495 361 S N 0.634 116.315 115.700 -0.033 0.000 2.643 361 S HA 0.621 5.091 4.470 -0.000 0.000 0.270 361 S C -0.986 173.841 174.600 0.379 0.000 1.166 361 S CA -0.845 57.355 58.200 -0.000 0.000 0.815 361 S CB 1.276 64.388 63.200 -0.147 0.000 1.139 361 S HN 1.336 nan 8.310 nan 0.000 0.472 362 L N 2.204 123.616 121.223 0.315 0.000 2.540 362 L HA 0.471 4.811 4.340 -0.000 0.000 0.276 362 L C 1.310 178.206 176.870 0.042 0.000 1.212 362 L CA 1.442 56.342 54.840 0.100 0.000 0.893 362 L CB 0.100 42.080 42.059 -0.133 0.000 1.138 362 L HN 1.010 nan 8.230 nan 0.000 0.491 363 G N 3.129 111.934 108.800 0.008 0.000 2.439 363 G HA2 0.439 4.399 3.960 -0.000 0.000 0.212 363 G HA3 0.439 4.399 3.960 -0.000 0.000 0.212 363 G C 0.438 175.382 174.900 0.074 0.000 1.199 363 G CA 0.536 45.685 45.100 0.081 0.000 0.807 363 G HN 1.130 nan 8.290 nan 0.000 0.537 364 G N -1.161 107.583 108.800 -0.093 0.000 2.466 364 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 364 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 364 G C -1.021 173.796 174.900 -0.138 0.000 1.460 364 G CA -0.325 44.702 45.100 -0.121 0.000 0.791 364 G HN 0.772 nan 8.290 nan 0.000 0.505 365 M N -0.635 118.954 119.600 -0.018 0.000 2.622 365 M HA 0.912 5.391 4.480 -0.000 0.000 0.276 365 M C -1.727 174.658 176.300 0.141 0.000 1.265 365 M CA -1.112 54.229 55.300 0.068 0.000 0.850 365 M CB 2.737 35.349 32.600 0.020 0.000 1.720 365 M HN 0.732 nan 8.290 nan 0.000 0.465 366 I N 1.329 121.974 120.570 0.124 0.000 2.722 366 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 366 I C -1.788 174.341 176.117 0.019 0.000 1.161 366 I CA -0.828 60.541 61.300 0.115 0.000 1.032 366 I CB 2.527 40.602 38.000 0.126 0.000 1.244 366 I HN 0.641 nan 8.210 nan 0.000 0.421 367 V N 8.311 128.279 119.914 0.089 0.000 2.276 367 V HA 0.434 4.554 4.120 -0.000 0.000 0.268 367 V C -2.434 173.709 176.094 0.082 0.000 1.032 367 V CA -1.192 61.108 62.300 -0.000 0.000 0.810 367 V CB 0.665 32.513 31.823 0.041 0.000 1.060 367 V HN 0.540 nan 8.190 nan 0.000 0.446 368 P HA 0.495 nan 4.420 nan 0.000 0.292 368 P C -1.312 176.099 177.300 0.184 0.000 1.283 368 P CA -0.497 62.753 63.100 0.251 0.000 0.835 368 P CB 1.337 33.215 31.700 0.297 0.000 1.017 369 Y N 0.098 120.590 120.300 0.321 0.000 2.488 369 Y HA 0.567 5.117 4.550 -0.000 0.000 0.325 369 Y C 1.805 177.786 175.900 0.135 0.000 1.204 369 Y CA 0.058 58.301 58.100 0.239 0.000 1.229 369 Y CB 1.331 39.960 38.460 0.281 0.000 1.274 369 Y HN 0.479 nan 8.280 nan 0.000 0.493 370 G N -0.054 108.829 108.800 0.139 0.000 3.575 370 G HA2 0.032 3.992 3.960 -0.000 0.000 0.273 370 G HA3 0.032 3.992 3.960 -0.000 0.000 0.273 370 G C -0.793 174.018 174.900 -0.148 0.000 1.053 370 G CA -0.054 45.005 45.100 -0.067 0.000 0.803 370 G HN 0.484 nan 8.290 nan 0.000 0.528 371 D N 0.747 121.064 120.400 -0.137 0.000 2.256 371 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 371 D C -1.702 174.443 176.300 -0.258 0.000 1.062 371 D CA -2.016 51.700 54.000 -0.473 0.000 0.832 371 D CB 3.179 43.673 40.800 -0.511 0.000 1.135 371 D HN -0.010 nan 8.370 nan 0.000 0.484 372 P HA 0.091 nan 4.420 nan 0.000 0.240 372 P C -0.107 177.230 177.300 0.061 0.000 1.190 372 P CA -0.037 62.996 63.100 -0.112 0.000 0.781 372 P CB 0.659 32.249 31.700 -0.183 0.000 0.931 373 D N -0.032 120.395 120.400 0.045 0.000 2.349 373 D HA -0.024 4.616 4.640 -0.000 0.000 0.239 373 D C 1.467 177.969 176.300 0.336 0.000 1.315 373 D CA -0.304 53.801 54.000 0.175 0.000 0.937 373 D CB 0.437 41.336 40.800 0.165 0.000 1.133 373 D HN -0.149 nan 8.370 nan 0.000 0.489 374 I N 0.451 121.195 120.570 0.290 0.000 2.315 374 I HA -0.054 4.116 4.170 -0.000 0.000 0.248 374 I C 1.986 178.257 176.117 0.256 0.000 1.117 374 I CA 1.466 62.953 61.300 0.313 0.000 1.404 374 I CB -0.503 37.606 38.000 0.182 0.000 1.071 374 I HN 0.443 nan 8.210 nan 0.000 0.419 375 G N -1.918 106.988 108.800 0.177 0.000 2.920 375 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.208 375 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.208 375 G C 0.773 175.311 174.900 -0.603 0.000 1.159 375 G CA 0.145 45.191 45.100 -0.090 0.000 0.784 375 G HN 0.526 nan 8.290 nan 0.000 0.535 376 W N -1.597 119.555 121.300 -0.246 0.000 2.977 376 W HA 0.197 4.857 4.660 -0.000 0.000 0.236 376 W C 1.952 178.221 176.519 -0.418 0.000 1.053 376 W CA -0.350 56.755 57.345 -0.401 0.000 1.375 376 W CB -0.141 29.203 29.460 -0.194 0.000 0.814 376 W HN 0.212 nan 8.180 nan 0.000 0.713 377 Y N 0.207 120.519 120.300 0.020 0.000 2.352 377 Y HA -0.119 4.431 4.550 -0.000 0.000 0.292 377 Y C 1.617 177.623 175.900 0.176 0.000 1.136 377 Y CA 1.032 59.190 58.100 0.096 0.000 1.227 377 Y CB -1.727 36.772 38.460 0.065 0.000 0.991 377 Y HN 0.053 nan 8.280 nan 0.000 0.545 378 F N 0.032 119.825 119.950 -0.262 0.000 2.749 378 F HA 0.405 4.932 4.527 -0.000 0.000 0.300 378 F C 0.766 176.617 175.800 0.086 0.000 1.103 378 F CA -1.265 56.721 58.000 -0.023 0.000 1.342 378 F CB -0.387 38.371 39.000 -0.403 0.000 1.098 378 F HN -0.194 nan 8.300 nan 0.000 0.586 379 K N 2.308 122.362 120.400 -0.577 0.000 2.338 379 K HA 0.575 4.895 4.320 -0.000 0.000 0.290 379 K C -0.945 175.726 176.600 0.119 0.000 1.069 379 K CA 0.012 56.037 56.287 -0.436 0.000 0.941 379 K CB 0.162 32.279 32.500 -0.638 0.000 1.023 379 K HN 0.347 nan 8.250 nan 0.000 0.477 380 A N 5.395 128.290 122.820 0.125 0.000 2.550 380 A HA 0.236 4.556 4.320 -0.000 0.000 0.282 380 A C -1.862 175.838 177.584 0.192 0.000 1.071 380 A CA -0.681 51.499 52.037 0.239 0.000 0.838 380 A CB 0.322 19.425 19.000 0.172 0.000 1.361 380 A HN 0.661 nan 8.150 nan 0.000 0.408 381 Y N 2.073 122.505 120.300 0.221 0.000 2.436 381 Y HA 0.388 4.938 4.550 -0.000 0.000 0.343 381 Y C 0.457 176.482 175.900 0.208 0.000 1.008 381 Y CA 0.126 58.374 58.100 0.246 0.000 1.241 381 Y CB 1.074 39.657 38.460 0.205 0.000 1.153 381 Y HN 0.550 nan 8.280 nan 0.000 0.521 382 L N 5.251 126.678 121.223 0.341 0.000 2.315 382 L HA 0.221 4.561 4.340 -0.000 0.000 0.278 382 L C 0.240 177.311 176.870 0.334 0.000 1.088 382 L CA -0.134 54.857 54.840 0.251 0.000 0.899 382 L CB 0.418 42.559 42.059 0.137 0.000 1.277 382 L HN 0.700 nan 8.230 nan 0.000 0.431 383 D N -0.267 120.326 120.400 0.321 0.000 2.117 383 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 383 D C 2.065 178.561 176.300 0.327 0.000 0.982 383 D CA 1.664 55.889 54.000 0.376 0.000 0.828 383 D CB 0.267 41.222 40.800 0.257 0.000 0.967 383 D HN 0.572 nan 8.370 nan 0.000 0.464 384 S N -0.009 115.813 115.700 0.203 0.000 2.335 384 S HA -0.028 4.442 4.470 -0.000 0.000 0.217 384 S C 2.305 176.943 174.600 0.063 0.000 1.032 384 S CA 0.863 59.151 58.200 0.147 0.000 0.985 384 S CB -1.153 62.104 63.200 0.094 0.000 0.896 384 S HN 0.296 nan 8.310 nan 0.000 0.445 385 G N 1.777 110.571 108.800 -0.010 0.000 2.421 385 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 385 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 385 G C 1.091 175.940 174.900 -0.086 0.000 1.171 385 G CA 1.114 46.136 45.100 -0.129 0.000 0.775 385 G HN 0.472 nan 8.290 nan 0.000 0.543 386 D N -1.297 119.089 120.400 -0.024 0.000 2.271 386 D HA 0.093 4.732 4.640 -0.000 0.000 0.206 386 D C 1.462 177.570 176.300 -0.319 0.000 0.967 386 D CA 0.540 54.431 54.000 -0.180 0.000 0.867 386 D CB 0.166 40.819 40.800 -0.245 0.000 0.960 386 D HN 0.471 nan 8.370 nan 0.000 0.509 387 Y N -0.582 119.794 120.300 0.126 0.000 2.467 387 Y HA 0.332 4.882 4.550 -0.000 0.000 0.259 387 Y C 1.083 177.079 175.900 0.160 0.000 1.084 387 Y CA 0.193 58.404 58.100 0.185 0.000 1.275 387 Y CB 1.130 39.752 38.460 0.271 0.000 1.208 387 Y HN -0.097 nan 8.280 nan 0.000 0.511 388 G N 1.283 110.236 108.800 0.255 0.000 2.799 388 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.271 388 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.271 388 G C 0.404 175.454 174.900 0.250 0.000 1.067 388 G CA 0.164 45.384 45.100 0.201 0.000 1.251 388 G HN 0.251 nan 8.290 nan 0.000 0.560 389 M N 0.675 120.447 119.600 0.286 0.000 2.229 389 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 389 M C 2.742 179.354 176.300 0.519 0.000 1.063 389 M CA 2.166 57.694 55.300 0.380 0.000 1.114 389 M CB -0.141 32.738 32.600 0.466 0.000 1.387 389 M HN 0.630 nan 8.290 nan 0.000 0.420 390 G N -0.246 108.807 108.800 0.422 0.000 2.446 390 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 390 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 390 G C 1.443 176.513 174.900 0.283 0.000 1.168 390 G CA 1.523 46.828 45.100 0.341 0.000 0.771 390 G HN 0.357 nan 8.290 nan 0.000 0.551 391 T N 1.130 115.813 114.554 0.215 0.000 2.788 391 T HA 0.013 4.363 4.350 -0.000 0.000 0.268 391 T C 1.970 176.772 174.700 0.171 0.000 1.044 391 T CA 0.611 62.815 62.100 0.174 0.000 1.139 391 T CB -0.126 68.839 68.868 0.162 0.000 0.867 391 T HN 0.129 nan 8.240 nan 0.000 0.454 392 L N 1.578 122.915 121.223 0.190 0.000 2.653 392 L HA 0.160 4.500 4.340 -0.000 0.000 0.232 392 L C 0.584 177.531 176.870 0.127 0.000 1.169 392 L CA -0.296 54.625 54.840 0.134 0.000 0.951 392 L CB -0.641 41.491 42.059 0.122 0.000 1.181 392 L HN 0.069 nan 8.230 nan 0.000 0.460 393 T N 0.350 115.032 114.554 0.214 0.000 2.923 393 T HA -0.041 4.309 4.350 -0.000 0.000 0.304 393 T C 0.644 175.391 174.700 0.079 0.000 1.044 393 T CA 0.447 62.674 62.100 0.212 0.000 1.141 393 T CB 0.412 69.523 68.868 0.407 0.000 1.023 393 T HN 0.171 nan 8.240 nan 0.000 0.533 394 S N 5.508 121.202 115.700 -0.010 0.000 2.429 394 S HA 0.358 4.828 4.470 -0.000 0.000 0.302 394 S C -2.265 172.344 174.600 0.014 0.000 1.115 394 S CA -1.258 56.933 58.200 -0.015 0.000 1.095 394 S CB 1.030 64.189 63.200 -0.070 0.000 0.987 394 S HN 0.451 nan 8.310 nan 0.000 0.474 395 P HA 0.084 nan 4.420 nan 0.000 0.262 395 P C -0.317 177.000 177.300 0.028 0.000 1.182 395 P CA -0.040 63.086 63.100 0.043 0.000 0.761 395 P CB 0.138 31.857 31.700 0.031 0.000 0.795 396 I N 2.210 122.808 120.570 0.047 0.000 2.741 396 I HA -0.029 4.141 4.170 -0.000 0.000 0.288 396 I C 0.959 177.085 176.117 0.015 0.000 1.192 396 I CA 0.364 61.686 61.300 0.036 0.000 1.426 396 I CB 0.255 38.296 38.000 0.068 0.000 1.367 396 I HN 0.348 nan 8.210 nan 0.000 0.563 397 A N 8.001 130.821 122.820 -0.000 0.000 2.437 397 A HA 0.204 4.524 4.320 -0.000 0.000 0.303 397 A C 0.625 178.202 177.584 -0.012 0.000 1.324 397 A CA -0.432 51.601 52.037 -0.008 0.000 0.983 397 A CB -0.113 18.879 19.000 -0.013 0.000 1.142 397 A HN 0.805 nan 8.150 nan 0.000 0.541 398 R N 2.102 122.596 120.500 -0.010 0.000 2.523 398 R HA 0.189 4.529 4.340 -0.000 0.000 0.281 398 R C 1.399 177.686 176.300 -0.023 0.000 0.969 398 R CA 1.720 57.812 56.100 -0.013 0.000 1.093 398 R CB -0.018 30.276 30.300 -0.011 0.000 0.917 398 R HN 1.565 nan 8.270 nan 0.000 0.408 399 G N 3.273 112.050 108.800 -0.038 0.000 2.284 399 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.247 399 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.247 399 G C 0.684 175.553 174.900 -0.052 0.000 1.012 399 G CA 0.644 45.718 45.100 -0.042 0.000 0.618 399 G HN 0.645 nan 8.290 nan 0.000 0.521 400 K N -0.756 119.617 120.400 -0.046 0.000 2.354 400 K HA 0.171 4.491 4.320 -0.000 0.000 0.210 400 K C 1.363 177.937 176.600 -0.043 0.000 1.184 400 K CA 0.386 56.649 56.287 -0.040 0.000 0.880 400 K CB 0.057 32.541 32.500 -0.026 0.000 1.328 400 K HN 0.075 nan 8.250 nan 0.000 0.466 401 D N 1.033 121.411 120.400 -0.035 0.000 2.269 401 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 401 D C 0.164 176.444 176.300 -0.033 0.000 0.963 401 D CA 0.644 54.633 54.000 -0.020 0.000 0.864 401 D CB 0.361 41.156 40.800 -0.009 0.000 0.936 401 D HN 0.201 nan 8.370 nan 0.000 0.505 402 A N 0.275 123.034 122.820 -0.102 0.000 2.572 402 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 402 A C -2.665 174.725 177.584 -0.322 0.000 1.072 402 A CA -1.355 50.515 52.037 -0.278 0.000 0.691 402 A CB 1.586 20.451 19.000 -0.225 0.000 1.291 402 A HN -0.227 nan 8.150 nan 0.000 0.404 403 P HA 0.032 nan 4.420 nan 0.000 0.269 403 P C 0.897 178.090 177.300 -0.178 0.000 1.217 403 P CA 0.516 63.418 63.100 -0.331 0.000 0.783 403 P CB 0.550 32.010 31.700 -0.400 0.000 0.898 404 S N 0.227 115.881 115.700 -0.077 0.000 2.500 404 S HA -0.146 4.324 4.470 -0.000 0.000 0.239 404 S C 1.177 175.798 174.600 0.035 0.000 0.989 404 S CA 0.791 58.985 58.200 -0.010 0.000 0.951 404 S CB -1.047 62.163 63.200 0.016 0.000 0.759 404 S HN 0.647 nan 8.310 nan 0.000 0.523 405 N N 1.768 120.490 118.700 0.037 0.000 2.268 405 N HA 0.291 5.031 4.740 -0.000 0.000 0.204 405 N C 0.228 175.834 175.510 0.160 0.000 1.124 405 N CA 0.203 53.320 53.050 0.111 0.000 0.838 405 N CB -0.061 38.503 38.487 0.128 0.000 0.994 405 N HN 0.445 nan 8.380 nan 0.000 0.489 406 A N 0.456 123.340 122.820 0.108 0.000 2.313 406 A HA 0.520 4.840 4.320 -0.000 0.000 0.261 406 A C -0.132 177.579 177.584 0.212 0.000 1.090 406 A CA -0.402 51.750 52.037 0.193 0.000 0.807 406 A CB 0.811 19.871 19.000 0.099 0.000 1.055 406 A HN 0.064 nan 8.150 nan 0.000 0.492 407 V N 1.674 121.746 119.914 0.265 0.000 2.459 407 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 407 V C -0.381 175.842 176.094 0.214 0.000 1.029 407 V CA -0.267 62.187 62.300 0.256 0.000 0.874 407 V CB 1.264 33.286 31.823 0.333 0.000 0.985 407 V HN 0.667 nan 8.190 nan 0.000 0.438 408 L N 6.054 127.386 121.223 0.181 0.000 2.298 408 L HA 0.557 4.896 4.340 -0.000 0.000 0.284 408 L C -0.512 176.442 176.870 0.140 0.000 1.013 408 L CA -0.409 54.515 54.840 0.140 0.000 0.824 408 L CB 1.417 43.528 42.059 0.086 0.000 1.221 408 L HN 0.386 nan 8.230 nan 0.000 0.418 409 L N 3.451 124.757 121.223 0.140 0.000 2.334 409 L HA 0.395 4.735 4.340 -0.000 0.000 0.277 409 L C 0.001 176.911 176.870 0.066 0.000 1.075 409 L CA -0.637 54.275 54.840 0.119 0.000 0.804 409 L CB 1.121 43.249 42.059 0.116 0.000 1.174 409 L HN 0.595 nan 8.230 nan 0.000 0.438 410 N N 2.191 120.907 118.700 0.027 0.000 2.509 410 N HA 0.374 5.114 4.740 -0.000 0.000 0.287 410 N C -0.628 174.888 175.510 0.011 0.000 1.121 410 N CA -0.443 52.615 53.050 0.014 0.000 0.977 410 N CB 1.695 40.174 38.487 -0.014 0.000 1.167 410 N HN 0.470 nan 8.380 nan 0.000 0.476 411 E N 0.360 120.570 120.200 0.017 0.000 2.340 411 E HA 0.414 4.764 4.350 -0.000 0.000 0.273 411 E C -0.864 175.739 176.600 0.005 0.000 0.891 411 E CA -0.552 55.849 56.400 0.002 0.000 0.757 411 E CB 2.193 31.894 29.700 0.001 0.000 1.231 411 E HN 0.331 nan 8.360 nan 0.000 0.439 412 T N 2.658 117.207 114.554 -0.009 0.000 2.824 412 T HA 0.728 5.078 4.350 -0.000 0.000 0.282 412 T C 0.226 174.922 174.700 -0.007 0.000 0.993 412 T CA -0.533 61.564 62.100 -0.005 0.000 0.967 412 T CB 0.580 69.440 68.868 -0.013 0.000 0.960 412 T HN 0.447 nan 8.240 nan 0.000 0.441 413 I N -0.613 119.960 120.570 0.004 0.000 3.354 413 I HA 0.974 5.144 4.170 -0.000 0.000 0.316 413 I C -0.918 175.202 176.117 0.005 0.000 1.182 413 I CA -1.898 59.406 61.300 0.007 0.000 0.942 413 I CB 1.767 39.784 38.000 0.028 0.000 1.299 413 I HN 0.611 nan 8.210 nan 0.000 0.473 414 A N 1.709 124.533 122.820 0.005 0.000 2.301 414 A HA 0.603 4.923 4.320 -0.000 0.000 0.312 414 A C -0.672 176.931 177.584 0.032 0.000 1.182 414 A CA -0.393 51.636 52.037 -0.013 0.000 0.826 414 A CB 0.473 19.442 19.000 -0.052 0.000 1.134 414 A HN 0.853 nan 8.150 nan 0.000 0.501 415 D N 0.365 120.781 120.400 0.026 0.000 2.414 415 D HA 0.079 4.719 4.640 -0.000 0.000 0.259 415 D C 0.672 177.043 176.300 0.119 0.000 1.269 415 D CA 0.147 54.203 54.000 0.093 0.000 1.028 415 D CB -0.016 40.829 40.800 0.076 0.000 1.093 415 D HN 0.634 nan 8.370 nan 0.000 0.545 416 Y N -2.659 117.717 120.300 0.127 0.000 2.561 416 Y HA 0.085 4.634 4.550 -0.000 0.000 0.291 416 Y C 1.725 177.794 175.900 0.283 0.000 1.141 416 Y CA 0.870 59.084 58.100 0.189 0.000 1.303 416 Y CB -0.928 37.622 38.460 0.149 0.000 1.015 416 Y HN 0.362 nan 8.280 nan 0.000 0.547 417 T N -3.625 110.673 114.554 -0.426 0.000 3.086 417 T HA 0.434 4.784 4.350 -0.000 0.000 0.250 417 T C 1.553 176.240 174.700 -0.022 0.000 1.074 417 T CA 0.251 62.261 62.100 -0.150 0.000 0.988 417 T CB -0.367 68.310 68.868 -0.318 0.000 0.988 417 T HN 0.847 nan 8.240 nan 0.000 0.530 418 G N 0.608 109.305 108.800 -0.171 0.000 2.141 418 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 418 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 418 G C -0.066 174.668 174.900 -0.276 0.000 0.982 418 G CA -0.103 44.703 45.100 -0.490 0.000 0.662 418 G HN 0.685 nan 8.290 nan 0.000 0.527 419 V N 1.832 121.647 119.914 -0.166 0.000 2.439 419 V HA 0.467 4.587 4.120 -0.000 0.000 0.282 419 V C -1.521 174.526 176.094 -0.078 0.000 1.039 419 V CA -1.673 60.560 62.300 -0.111 0.000 0.913 419 V CB 1.645 33.417 31.823 -0.085 0.000 0.983 419 V HN 0.105 nan 8.190 nan 0.000 0.460 420 P HA 0.158 nan 4.420 nan 0.000 0.267 420 P C -0.590 176.697 177.300 -0.021 0.000 1.200 420 P CA 0.023 63.097 63.100 -0.043 0.000 0.772 420 P CB 0.391 32.067 31.700 -0.040 0.000 0.855 421 M N 1.948 121.545 119.600 -0.005 0.000 2.165 421 M HA 0.258 4.738 4.480 -0.000 0.000 0.283 421 M C -0.813 175.497 176.300 0.016 0.000 0.978 421 M CA -0.502 54.806 55.300 0.013 0.000 0.948 421 M CB 1.482 34.102 32.600 0.033 0.000 1.599 421 M HN 0.235 nan 8.290 nan 0.000 0.450 422 E N 5.348 125.555 120.200 0.013 0.000 2.130 422 E HA 0.375 4.725 4.350 -0.000 0.000 0.284 422 E C -1.290 175.324 176.600 0.024 0.000 1.018 422 E CA -0.447 55.960 56.400 0.012 0.000 0.817 422 E CB 0.964 30.664 29.700 0.001 0.000 1.078 422 E HN 0.726 nan 8.360 nan 0.000 0.396 423 I N 8.120 128.712 120.570 0.036 0.000 2.301 423 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 423 I C -1.966 174.178 176.117 0.045 0.000 1.046 423 I CA -2.110 59.223 61.300 0.054 0.000 1.282 423 I CB 0.952 39.004 38.000 0.086 0.000 1.409 423 I HN 0.365 nan 8.210 nan 0.000 0.484 424 P HA 0.154 nan 4.420 nan 0.000 0.280 424 P C -0.621 176.703 177.300 0.041 0.000 1.244 424 P CA -0.343 62.771 63.100 0.023 0.000 0.784 424 P CB 0.661 32.366 31.700 0.008 0.000 0.913 425 R N 1.305 121.830 120.500 0.042 0.000 3.333 425 R HA -0.209 4.131 4.340 -0.000 0.000 0.256 425 R C 1.007 177.368 176.300 0.102 0.000 1.010 425 R CA 0.482 56.619 56.100 0.062 0.000 0.680 425 R CB -2.576 27.749 30.300 0.041 0.000 1.102 425 R HN 0.603 nan 8.270 nan 0.000 0.440 426 A N 0.246 123.138 122.820 0.121 0.000 1.968 426 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 426 A C 0.989 178.737 177.584 0.273 0.000 1.169 426 A CA 0.888 53.039 52.037 0.191 0.000 0.638 426 A CB 0.371 19.465 19.000 0.157 0.000 0.812 426 A HN 0.382 nan 8.150 nan 0.000 0.446 427 I N -1.318 119.373 120.570 0.202 0.000 2.656 427 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 427 I C -0.415 175.813 176.117 0.186 0.000 1.144 427 I CA -0.712 60.721 61.300 0.222 0.000 1.038 427 I CB 2.267 40.353 38.000 0.143 0.000 1.244 427 I HN 0.101 nan 8.210 nan 0.000 0.420 428 A N 5.699 128.653 122.820 0.223 0.000 2.317 428 A HA 0.858 5.178 4.320 -0.000 0.000 0.327 428 A C -0.899 176.818 177.584 0.221 0.000 1.178 428 A CA -0.512 51.669 52.037 0.241 0.000 0.817 428 A CB 1.344 20.525 19.000 0.302 0.000 1.189 428 A HN 0.414 nan 8.150 nan 0.000 0.489 429 V N 2.773 122.784 119.914 0.161 0.000 2.540 429 V HA 0.746 4.866 4.120 -0.000 0.000 0.302 429 V C -0.929 175.216 176.094 0.085 0.000 1.035 429 V CA -0.306 61.961 62.300 -0.056 0.000 0.873 429 V CB 0.704 32.350 31.823 -0.296 0.000 0.992 429 V HN 0.895 nan 8.190 nan 0.000 0.428 430 F N 0.974 120.814 119.950 -0.184 0.000 2.665 430 F HA 0.719 5.246 4.527 -0.000 0.000 0.308 430 F C -0.721 175.005 175.800 -0.123 0.000 1.112 430 F CA -1.136 56.824 58.000 -0.067 0.000 0.972 430 F CB 1.493 40.499 39.000 0.010 0.000 1.295 430 F HN 0.490 nan 8.300 nan 0.000 0.440 431 E N 2.485 122.782 120.200 0.161 0.000 2.277 431 E HA 0.664 5.014 4.350 -0.000 0.000 0.274 431 E C -0.930 175.786 176.600 0.193 0.000 1.022 431 E CA -0.831 55.604 56.400 0.057 0.000 0.853 431 E CB 1.239 31.070 29.700 0.219 0.000 1.086 431 E HN 0.846 nan 8.360 nan 0.000 0.397 432 R N 2.699 123.271 120.500 0.119 0.000 2.668 432 R HA 0.218 4.558 4.340 -0.000 0.000 0.272 432 R C -1.446 174.931 176.300 0.129 0.000 1.019 432 R CA -0.979 55.224 56.100 0.170 0.000 0.894 432 R CB 0.452 30.867 30.300 0.191 0.000 1.228 432 R HN 0.547 nan 8.270 nan 0.000 0.460 433 Y N 1.695 122.027 120.300 0.054 0.000 2.526 433 Y HA 0.345 4.895 4.550 -0.000 0.000 0.330 433 Y C -0.292 175.608 175.900 -0.001 0.000 1.156 433 Y CA 0.583 58.700 58.100 0.028 0.000 1.419 433 Y CB 1.037 39.510 38.460 0.022 0.000 1.250 433 Y HN 0.827 nan 8.280 nan 0.000 0.540 434 A N 5.435 127.797 122.820 -0.764 0.000 2.992 434 A HA 0.612 4.932 4.320 -0.000 0.000 0.263 434 A C 0.579 177.787 177.584 -0.628 0.000 0.928 434 A CA 0.128 51.844 52.037 -0.535 0.000 1.061 434 A CB -0.754 18.057 19.000 -0.316 0.000 1.173 434 A HN 1.773 nan 8.150 nan 0.000 0.482 435 G N 0.619 108.741 108.800 -1.131 0.000 2.725 435 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 435 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 435 G C -3.197 171.484 174.900 -0.365 0.000 1.357 435 G CA -0.429 44.367 45.100 -0.507 0.000 0.866 435 G HN 0.446 nan 8.290 nan 0.000 0.548 436 P HA 0.353 nan 4.420 nan 0.000 0.276 436 P C 0.490 177.728 177.300 -0.104 0.000 1.230 436 P CA -0.089 62.971 63.100 -0.066 0.000 0.776 436 P CB 1.612 33.314 31.700 0.003 0.000 0.888 437 E N 3.729 123.830 120.200 -0.166 0.000 2.077 437 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 437 E C -0.086 176.484 176.600 -0.049 0.000 0.989 437 E CA 1.711 58.019 56.400 -0.155 0.000 0.800 437 E CB -0.301 29.240 29.700 -0.265 0.000 0.746 437 E HN 0.570 nan 8.360 nan 0.000 0.452 438 Y N -2.978 117.329 120.300 0.011 0.000 2.677 438 Y HA 0.613 5.162 4.550 -0.000 0.000 0.334 438 Y C -1.199 174.719 175.900 0.031 0.000 1.196 438 Y CA -1.724 56.385 58.100 0.015 0.000 1.059 438 Y CB 0.644 39.107 38.460 0.005 0.000 1.315 438 Y HN -0.147 nan 8.280 nan 0.000 0.455 439 K N 1.345 121.934 120.400 0.315 0.000 2.543 439 K HA 0.543 4.863 4.320 -0.000 0.000 0.255 439 K C -2.554 174.200 176.600 0.256 0.000 0.934 439 K CA -0.806 55.626 56.287 0.242 0.000 0.810 439 K CB 1.993 34.571 32.500 0.130 0.000 1.315 439 K HN 1.012 nan 8.250 nan 0.000 0.433 440 H N 2.136 121.264 119.070 0.097 0.000 2.934 440 H HA 0.255 4.811 4.556 -0.000 0.000 0.340 440 H C -1.667 173.683 175.328 0.037 0.000 1.008 440 H CA -0.352 55.723 56.048 0.045 0.000 1.317 440 H CB 1.885 31.655 29.762 0.014 0.000 1.670 440 H HN 0.544 nan 8.280 nan 0.000 0.516 441 Q N 3.706 123.236 119.800 -0.451 0.000 2.636 441 Q HA 0.219 4.559 4.340 -0.000 0.000 0.233 441 Q C -0.779 174.857 176.000 -0.606 0.000 1.143 441 Q CA -0.702 54.864 55.803 -0.396 0.000 0.969 441 Q CB 0.325 28.969 28.738 -0.157 0.000 1.185 441 Q HN 0.607 nan 8.270 nan 0.000 0.546 442 E N 2.528 122.280 120.200 -0.746 0.000 2.415 442 E HA 0.057 4.407 4.350 -0.000 0.000 0.263 442 E C -0.534 175.977 176.600 -0.148 0.000 0.995 442 E CA -0.199 55.986 56.400 -0.359 0.000 0.915 442 E CB 0.397 30.039 29.700 -0.096 0.000 0.951 442 E HN 0.657 nan 8.360 nan 0.000 0.449 443 M N 4.791 124.350 119.600 -0.069 0.000 2.290 443 M HA 0.147 4.627 4.480 -0.000 0.000 0.356 443 M C 1.043 177.325 176.300 -0.030 0.000 1.448 443 M CA 1.619 56.895 55.300 -0.038 0.000 0.993 443 M CB -0.344 32.249 32.600 -0.011 0.000 1.934 443 M HN 0.686 nan 8.290 nan 0.000 0.461 444 G N 3.002 111.784 108.800 -0.029 0.000 2.203 444 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.263 444 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.263 444 G C -0.108 174.778 174.900 -0.022 0.000 1.012 444 G CA 0.438 45.526 45.100 -0.021 0.000 0.749 444 G HN 0.736 nan 8.290 nan 0.000 0.512 445 Q N -0.789 118.990 119.800 -0.035 0.000 2.445 445 Q HA 0.541 4.881 4.340 -0.000 0.000 0.281 445 Q C -2.604 173.375 176.000 -0.035 0.000 1.101 445 Q CA -1.914 53.871 55.803 -0.030 0.000 0.833 445 Q CB 1.305 30.027 28.738 -0.027 0.000 1.416 445 Q HN 0.144 nan 8.270 nan 0.000 0.451 446 P HA 0.059 nan 4.420 nan 0.000 0.268 446 P C -0.308 176.976 177.300 -0.026 0.000 1.205 446 P CA -0.139 62.950 63.100 -0.018 0.000 0.771 446 P CB 0.399 32.095 31.700 -0.006 0.000 0.858 447 N N 1.714 120.399 118.700 -0.024 0.000 2.453 447 N HA 0.182 4.922 4.740 -0.000 0.000 0.253 447 N C -1.162 174.355 175.510 0.011 0.000 1.252 447 N CA 0.009 53.044 53.050 -0.025 0.000 0.917 447 N CB 0.383 38.861 38.487 -0.016 0.000 1.117 447 N HN 0.029 nan 8.380 nan 0.000 0.442 448 V N 1.743 121.680 119.914 0.038 0.000 2.483 448 V HA 0.526 4.646 4.120 -0.000 0.000 0.297 448 V C -0.713 175.460 176.094 0.131 0.000 1.027 448 V CA -0.535 61.825 62.300 0.099 0.000 0.855 448 V CB 1.210 33.115 31.823 0.138 0.000 0.995 448 V HN 0.759 nan 8.190 nan 0.000 0.424 449 S N 2.513 118.270 115.700 0.095 0.000 2.546 449 S HA 0.799 5.269 4.470 -0.000 0.000 0.272 449 S C -0.336 174.236 174.600 -0.048 0.000 1.140 449 S CA -0.653 57.574 58.200 0.046 0.000 0.920 449 S CB 2.286 65.503 63.200 0.029 0.000 1.083 449 S HN 0.973 nan 8.310 nan 0.000 0.476 450 T N -0.562 113.852 114.554 -0.233 0.000 2.916 450 T HA 0.702 5.052 4.350 -0.000 0.000 0.292 450 T C -0.937 173.642 174.700 -0.202 0.000 1.055 450 T CA -1.059 60.886 62.100 -0.259 0.000 1.009 450 T CB 1.482 70.078 68.868 -0.454 0.000 1.118 450 T HN 0.646 nan 8.240 nan 0.000 0.497 451 E N 1.188 121.335 120.200 -0.088 0.000 2.249 451 E HA 0.400 4.750 4.350 -0.000 0.000 0.280 451 E C -0.244 176.309 176.600 -0.078 0.000 1.016 451 E CA -1.076 55.318 56.400 -0.010 0.000 0.830 451 E CB 1.415 31.226 29.700 0.185 0.000 1.081 451 E HN 0.662 nan 8.360 nan 0.000 0.395 452 R N 2.400 122.808 120.500 -0.152 0.000 2.389 452 R HA 0.146 4.486 4.340 -0.000 0.000 0.295 452 R C -0.597 175.650 176.300 -0.088 0.000 1.075 452 R CA -0.424 55.601 56.100 -0.125 0.000 1.005 452 R CB 0.573 30.770 30.300 -0.171 0.000 0.987 452 R HN 0.482 nan 8.270 nan 0.000 0.452 453 R N 3.449 123.985 120.500 0.059 0.000 2.514 453 R HA 0.293 4.633 4.340 -0.000 0.000 0.301 453 R C -0.777 175.654 176.300 0.219 0.000 0.962 453 R CA -0.662 55.540 56.100 0.171 0.000 0.882 453 R CB 1.835 32.343 30.300 0.347 0.000 1.143 453 R HN 0.730 nan 8.270 nan 0.000 0.452 454 E N 1.684 121.896 120.200 0.020 0.000 2.212 454 E HA 0.360 4.710 4.350 -0.000 0.000 0.268 454 E C -0.835 175.535 176.600 -0.382 0.000 0.902 454 E CA -1.096 55.206 56.400 -0.163 0.000 0.779 454 E CB 2.367 31.854 29.700 -0.356 0.000 1.172 454 E HN 0.089 nan 8.360 nan 0.000 0.409 455 L N 3.131 123.910 121.223 -0.741 0.000 2.265 455 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 455 L C -1.306 175.207 176.870 -0.597 0.000 1.033 455 L CA -0.591 53.666 54.840 -0.972 0.000 0.814 455 L CB 1.307 42.399 42.059 -1.611 0.000 1.203 455 L HN 0.303 nan 8.230 nan 0.000 0.423 456 V N 5.624 125.088 119.914 -0.750 0.000 2.483 456 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 456 V C -0.328 175.454 176.094 -0.521 0.000 1.035 456 V CA -0.783 61.094 62.300 -0.705 0.000 0.896 456 V CB 1.793 32.883 31.823 -1.221 0.000 0.986 456 V HN 0.454 nan 8.190 nan 0.000 0.447 457 V N 5.341 125.161 119.914 -0.157 0.000 2.357 457 V HA 0.518 4.638 4.120 -0.000 0.000 0.284 457 V C 0.063 176.273 176.094 0.193 0.000 1.018 457 V CA -0.571 61.745 62.300 0.027 0.000 0.841 457 V CB 1.325 33.221 31.823 0.121 0.000 0.991 457 V HN 0.881 nan 8.190 nan 0.000 0.437 458 R N 3.906 124.553 120.500 0.246 0.000 2.437 458 R HA 0.524 4.864 4.340 -0.000 0.000 0.310 458 R C -1.829 174.740 176.300 0.448 0.000 0.955 458 R CA -0.567 55.757 56.100 0.375 0.000 0.851 458 R CB 1.476 32.036 30.300 0.432 0.000 1.161 458 R HN 0.689 nan 8.270 nan 0.000 0.446 459 W N 6.992 128.463 121.300 0.284 0.000 2.883 459 W HA 0.540 5.200 4.660 -0.000 0.000 0.335 459 W C -1.790 174.899 176.519 0.283 0.000 1.083 459 W CA -0.834 56.666 57.345 0.257 0.000 1.233 459 W CB 1.117 30.736 29.460 0.264 0.000 1.412 459 W HN 0.418 nan 8.180 nan 0.000 0.490 460 I N 5.556 125.919 120.570 -0.345 0.000 2.436 460 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 460 I C -0.143 175.551 176.117 -0.705 0.000 1.010 460 I CA -0.867 60.161 61.300 -0.452 0.000 1.098 460 I CB 1.865 39.748 38.000 -0.194 0.000 1.266 460 I HN 0.350 nan 8.210 nan 0.000 0.434 461 S N 3.588 118.895 115.700 -0.654 0.000 2.526 461 S HA 0.671 5.141 4.470 -0.000 0.000 0.293 461 S C -0.726 173.778 174.600 -0.159 0.000 1.092 461 S CA -0.284 57.682 58.200 -0.390 0.000 0.980 461 S CB 1.774 64.719 63.200 -0.425 0.000 1.048 461 S HN 0.581 nan 8.310 nan 0.000 0.483 462 T N 3.308 117.809 114.554 -0.088 0.000 2.840 462 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 462 T C -1.209 173.468 174.700 -0.039 0.000 0.991 462 T CA -0.426 61.611 62.100 -0.104 0.000 0.964 462 T CB 1.226 70.018 68.868 -0.126 0.000 0.954 462 T HN 0.438 nan 8.240 nan 0.000 0.438 463 V N 3.722 123.608 119.914 -0.047 0.000 2.325 463 V HA 0.667 4.787 4.120 -0.000 0.000 0.280 463 V C 1.118 177.142 176.094 -0.117 0.000 1.016 463 V CA 0.185 62.464 62.300 -0.036 0.000 0.818 463 V CB 0.349 32.174 31.823 0.004 0.000 1.019 463 V HN 1.222 nan 8.190 nan 0.000 0.434 464 G N 5.774 114.587 108.800 0.023 0.000 2.620 464 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.315 464 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.315 464 G C 0.329 175.167 174.900 -0.103 0.000 1.179 464 G CA 0.590 45.791 45.100 0.168 0.000 0.971 464 G HN 0.895 nan 8.290 nan 0.000 0.544 468 Y N 1.057 121.189 120.300 -0.281 0.000 2.364 468 Y HA 0.633 5.183 4.550 -0.000 0.000 0.340 468 Y C 0.080 175.695 175.900 -0.475 0.000 0.975 468 Y CA -0.863 57.009 58.100 -0.380 0.000 1.089 468 Y CB 1.311 39.664 38.460 -0.179 0.000 1.192 468 Y HN 0.249 nan 8.280 nan 0.000 0.454 469 I N 4.259 124.528 120.570 -0.501 0.000 2.354 469 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 469 I C -1.129 174.679 176.117 -0.515 0.000 0.989 469 I CA -0.516 60.554 61.300 -0.382 0.000 1.188 469 I CB 0.863 38.649 38.000 -0.357 0.000 1.342 469 I HN 0.361 nan 8.210 nan 0.000 0.457 470 F N 3.488 123.533 119.950 0.159 0.000 2.482 470 F HA 0.423 4.950 4.527 -0.000 0.000 0.331 470 F C -0.232 175.742 175.800 0.290 0.000 1.115 470 F CA -0.734 57.425 58.000 0.264 0.000 0.955 470 F CB 1.396 40.705 39.000 0.515 0.000 1.136 470 F HN 0.328 nan 8.300 nan 0.000 0.452 471 D N 2.518 123.061 120.400 0.239 0.000 2.408 471 D HA 0.241 4.881 4.640 -0.000 0.000 0.243 471 D C -1.351 174.827 176.300 -0.204 0.000 1.075 471 D CA -0.255 53.807 54.000 0.104 0.000 0.832 471 D CB 1.021 41.837 40.800 0.026 0.000 1.162 471 D HN 0.300 nan 8.370 nan 0.000 0.515 472 W N 3.074 124.299 121.300 -0.125 0.000 2.314 472 W HA 0.504 5.163 4.660 -0.000 0.000 0.310 472 W C 0.035 176.264 176.519 -0.484 0.000 1.075 472 W CA -0.584 56.556 57.345 -0.342 0.000 1.253 472 W CB 0.639 29.918 29.460 -0.303 0.000 1.238 472 W HN 0.143 nan 8.180 nan 0.000 0.440 473 I N 4.659 124.920 120.570 -0.514 0.000 2.411 473 I HA 0.285 4.455 4.170 -0.000 0.000 0.284 473 I C -0.979 174.813 176.117 -0.543 0.000 1.012 473 I CA -0.923 60.117 61.300 -0.434 0.000 1.119 473 I CB 0.612 38.441 38.000 -0.284 0.000 1.261 473 I HN 0.101 nan 8.210 nan 0.000 0.448 474 F N 4.613 124.355 119.950 -0.348 0.000 2.391 474 F HA 0.367 4.894 4.527 -0.000 0.000 0.359 474 F C 0.916 176.803 175.800 0.145 0.000 1.122 474 F CA -0.334 57.465 58.000 -0.334 0.000 1.120 474 F CB 0.336 38.851 39.000 -0.808 0.000 1.142 474 F HN 0.380 nan 8.300 nan 0.000 0.483 475 H N 2.699 121.982 119.070 0.355 0.000 2.511 475 H HA 0.123 4.679 4.556 -0.000 0.000 0.346 475 H C 0.729 176.531 175.328 0.790 0.000 1.128 475 H CA -0.408 55.921 56.048 0.469 0.000 1.342 475 H CB 1.501 31.430 29.762 0.277 0.000 1.470 475 H HN 0.735 nan 8.280 nan 0.000 0.546 476 E N 1.443 122.062 120.200 0.697 0.000 2.153 476 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 476 E C 1.240 178.066 176.600 0.377 0.000 0.988 476 E CA 1.024 57.691 56.400 0.445 0.000 0.811 476 E CB 0.080 29.873 29.700 0.155 0.000 0.746 476 E HN 0.595 nan 8.360 nan 0.000 0.466 477 N N -0.440 118.457 118.700 0.328 0.000 2.575 477 N HA -0.040 4.700 4.740 -0.000 0.000 0.192 477 N C 1.030 176.601 175.510 0.102 0.000 1.200 477 N CA 1.106 54.243 53.050 0.145 0.000 0.897 477 N CB 0.373 38.921 38.487 0.101 0.000 0.990 477 N HN 0.185 nan 8.380 nan 0.000 0.449 478 G N -1.922 107.116 108.800 0.397 0.000 2.234 478 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.235 478 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.235 478 G C 0.172 175.454 174.900 0.636 0.000 0.997 478 G CA 0.261 45.606 45.100 0.409 0.000 0.623 478 G HN 0.488 nan 8.290 nan 0.000 0.514 479 T N 1.433 116.198 114.554 0.352 0.000 2.918 479 T HA 0.563 4.913 4.350 -0.000 0.000 0.302 479 T C 0.391 175.143 174.700 0.087 0.000 1.045 479 T CA 0.483 62.620 62.100 0.061 0.000 1.114 479 T CB 1.434 70.035 68.868 -0.446 0.000 0.965 479 T HN 0.349 nan 8.240 nan 0.000 0.540 480 I N 1.781 122.325 120.570 -0.044 0.000 2.436 480 I HA 0.505 4.675 4.170 -0.000 0.000 0.289 480 I C 0.657 176.617 176.117 -0.262 0.000 1.010 480 I CA -0.787 60.362 61.300 -0.250 0.000 1.098 480 I CB 1.906 39.699 38.000 -0.345 0.000 1.266 480 I HN 0.700 nan 8.210 nan 0.000 0.434 481 G N 6.772 115.418 108.800 -0.256 0.000 2.400 481 G HA2 0.800 4.760 3.960 -0.000 0.000 0.333 481 G HA3 0.800 4.760 3.960 -0.000 0.000 0.333 481 G C -0.826 173.809 174.900 -0.442 0.000 1.143 481 G CA -0.472 44.480 45.100 -0.246 0.000 0.914 481 G HN 0.500 nan 8.290 nan 0.000 0.480 482 I N 1.603 121.859 120.570 -0.524 0.000 2.439 482 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 482 I C -1.316 174.493 176.117 -0.513 0.000 1.021 482 I CA -0.800 60.010 61.300 -0.817 0.000 1.091 482 I CB 2.207 39.385 38.000 -1.371 0.000 1.242 482 I HN 0.212 nan 8.210 nan 0.000 0.439 483 D N 4.833 125.036 120.400 -0.329 0.000 2.342 483 D HA 0.757 5.397 4.640 -0.000 0.000 0.243 483 D C -0.676 175.621 176.300 -0.006 0.000 1.019 483 D CA -0.244 53.710 54.000 -0.078 0.000 0.864 483 D CB 2.445 43.262 40.800 0.028 0.000 1.315 483 D HN 0.614 nan 8.370 nan 0.000 0.468 484 A N 0.799 123.559 122.820 -0.099 0.000 2.356 484 A HA 0.776 5.096 4.320 -0.000 0.000 0.310 484 A C -0.045 177.135 177.584 -0.673 0.000 1.075 484 A CA -0.650 51.048 52.037 -0.566 0.000 0.746 484 A CB 1.540 19.963 19.000 -0.961 0.000 1.221 484 A HN 0.481 nan 8.150 nan 0.000 0.443 485 G N 0.233 108.383 108.800 -1.083 0.000 2.448 485 G HA2 0.755 4.715 3.960 -0.000 0.000 0.324 485 G HA3 0.755 4.715 3.960 -0.000 0.000 0.324 485 G C -0.559 173.824 174.900 -0.863 0.000 1.203 485 G CA 0.017 44.220 45.100 -1.495 0.000 0.954 485 G HN 1.601 nan 8.290 nan 0.000 0.480 486 A N 0.952 123.345 122.820 -0.712 0.000 2.356 486 A HA 0.899 5.219 4.320 -0.000 0.000 0.310 486 A C -0.148 177.111 177.584 -0.542 0.000 1.075 486 A CA -0.357 51.351 52.037 -0.549 0.000 0.746 486 A CB 2.124 20.863 19.000 -0.435 0.000 1.221 486 A HN 1.115 nan 8.150 nan 0.000 0.443 487 T N 0.440 114.673 114.554 -0.534 0.000 2.618 487 T HA 0.848 5.198 4.350 -0.000 0.000 0.293 487 T C 0.351 174.788 174.700 -0.439 0.000 1.093 487 T CA 0.989 62.839 62.100 -0.416 0.000 1.061 487 T CB 0.900 69.547 68.868 -0.368 0.000 1.498 487 T HN 2.731 nan 8.240 nan 0.000 0.494 488 G N 0.524 109.083 108.800 -0.402 0.000 2.416 488 G HA2 0.060 4.020 3.960 -0.000 0.000 0.203 488 G HA3 0.060 4.020 3.960 -0.000 0.000 0.203 488 G C -1.544 173.080 174.900 -0.459 0.000 1.227 488 G CA -0.238 44.576 45.100 -0.477 0.000 1.041 488 G HN 0.851 nan 8.290 nan 0.000 0.546 489 I N 1.760 122.001 120.570 -0.548 0.000 2.378 489 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 489 I C 0.667 176.602 176.117 -0.303 0.000 0.992 489 I CA -0.844 60.170 61.300 -0.477 0.000 1.154 489 I CB 1.088 38.654 38.000 -0.724 0.000 1.315 489 I HN 0.593 nan 8.210 nan 0.000 0.448 490 E N 3.716 123.937 120.200 0.036 0.000 2.413 490 E HA 0.235 4.585 4.350 -0.000 0.000 0.263 490 E C 0.025 176.698 176.600 0.123 0.000 1.015 490 E CA -0.197 56.281 56.400 0.130 0.000 0.916 490 E CB 1.052 30.905 29.700 0.255 0.000 0.947 490 E HN 0.662 nan 8.360 nan 0.000 0.440 491 A N 3.065 125.941 122.820 0.093 0.000 2.395 491 A HA 0.304 4.623 4.320 -0.000 0.000 0.286 491 A C 0.218 178.028 177.584 0.377 0.000 1.193 491 A CA -0.578 51.590 52.037 0.220 0.000 0.852 491 A CB -0.270 18.797 19.000 0.112 0.000 1.118 491 A HN 0.385 nan 8.150 nan 0.000 0.524 492 V N 0.648 120.798 119.914 0.394 0.000 2.850 492 V HA 0.663 4.783 4.120 -0.000 0.000 0.315 492 V C -0.095 176.254 176.094 0.425 0.000 1.064 492 V CA -1.129 61.318 62.300 0.244 0.000 0.979 492 V CB 1.593 33.360 31.823 -0.093 0.000 1.039 492 V HN 0.809 nan 8.190 nan 0.000 0.452 493 K N 2.045 122.571 120.400 0.210 0.000 2.213 493 K HA 0.625 4.945 4.320 -0.000 0.000 0.270 493 K C 0.236 176.906 176.600 0.116 0.000 1.002 493 K CA -0.251 56.190 56.287 0.256 0.000 0.868 493 K CB 1.314 33.771 32.500 -0.071 0.000 1.093 493 K HN 1.181 nan 8.250 nan 0.000 0.454 494 G N 2.576 111.468 108.800 0.154 0.000 2.380 494 G HA2 0.416 4.376 3.960 -0.000 0.000 0.262 494 G HA3 0.416 4.376 3.960 -0.000 0.000 0.262 494 G C -0.476 174.462 174.900 0.064 0.000 1.243 494 G CA -0.361 44.796 45.100 0.095 0.000 0.865 494 G HN 0.509 nan 8.290 nan 0.000 0.513 495 V N -0.066 119.871 119.914 0.038 0.000 3.181 495 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 495 V C 0.801 176.912 176.094 0.028 0.000 1.214 495 V CA -1.120 61.195 62.300 0.024 0.000 1.053 495 V CB 2.016 33.836 31.823 -0.005 0.000 1.069 495 V HN 0.643 nan 8.190 nan 0.000 0.441 496 K N 1.089 121.503 120.400 0.022 0.000 2.103 496 K HA 0.266 4.586 4.320 -0.000 0.000 0.204 496 K C 1.118 177.732 176.600 0.023 0.000 1.052 496 K CA 1.314 57.615 56.287 0.023 0.000 0.945 496 K CB -0.131 32.380 32.500 0.017 0.000 0.722 496 K HN 0.982 nan 8.250 nan 0.000 0.443 497 A N 1.733 124.562 122.820 0.015 0.000 2.498 497 A HA 0.013 4.332 4.320 -0.000 0.000 0.239 497 A C 0.730 178.340 177.584 0.044 0.000 1.068 497 A CA 0.239 52.287 52.037 0.018 0.000 0.766 497 A CB 0.442 19.440 19.000 -0.003 0.000 1.003 497 A HN 0.073 nan 8.150 nan 0.000 0.497 498 K N -0.170 120.267 120.400 0.061 0.000 2.244 498 K HA 0.118 4.438 4.320 -0.000 0.000 0.200 498 K C 0.945 177.675 176.600 0.217 0.000 1.052 498 K CA 1.513 57.881 56.287 0.136 0.000 0.980 498 K CB 0.340 32.841 32.500 0.003 0.000 0.838 498 K HN 0.939 nan 8.250 nan 0.000 0.481 499 T N -3.186 111.427 114.554 0.098 0.000 2.838 499 T HA 0.271 4.621 4.350 -0.000 0.000 0.292 499 T C 0.585 175.250 174.700 -0.059 0.000 1.113 499 T CA -0.789 61.337 62.100 0.044 0.000 1.008 499 T CB 0.960 69.874 68.868 0.077 0.000 1.259 499 T HN -0.244 nan 8.240 nan 0.000 0.520 500 M N 0.821 120.307 119.600 -0.190 0.000 2.686 500 M HA 0.035 4.514 4.480 -0.000 0.000 0.246 500 M C 1.249 177.386 176.300 -0.272 0.000 1.096 500 M CA 0.870 56.030 55.300 -0.233 0.000 1.076 500 M CB -1.371 31.072 32.600 -0.262 0.000 1.504 500 M HN 0.631 nan 8.290 nan 0.000 0.524 501 H N -0.395 118.680 119.070 0.007 0.000 2.551 501 H HA 0.165 4.721 4.556 -0.000 0.000 0.266 501 H C -0.057 175.271 175.328 0.000 0.000 0.977 501 H CA 0.108 56.158 56.048 0.003 0.000 1.163 501 H CB 0.023 29.789 29.762 0.007 0.000 1.381 501 H HN 0.260 nan 8.280 nan 0.000 0.581 502 D N 0.809 121.252 120.400 0.070 0.000 2.329 502 D HA 0.018 4.658 4.640 -0.000 0.000 0.246 502 D C 1.285 177.599 176.300 0.022 0.000 1.111 502 D CA -0.241 53.786 54.000 0.045 0.000 0.941 502 D CB 1.168 41.985 40.800 0.029 0.000 1.169 502 D HN 0.043 nan 8.370 nan 0.000 0.441 503 E N -0.252 119.958 120.200 0.017 0.000 2.085 503 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 503 E C 1.758 178.355 176.600 -0.004 0.000 0.994 503 E CA 1.689 58.093 56.400 0.007 0.000 0.801 503 E CB -0.624 29.079 29.700 0.006 0.000 0.743 503 E HN 0.601 nan 8.360 nan 0.000 0.453 504 T N -2.046 112.505 114.554 -0.005 0.000 3.148 504 T HA 0.313 4.663 4.350 -0.000 0.000 0.253 504 T C 1.849 176.533 174.700 -0.028 0.000 1.134 504 T CA 0.458 62.550 62.100 -0.013 0.000 1.051 504 T CB 0.005 68.870 68.868 -0.006 0.000 0.959 504 T HN 0.172 nan 8.240 nan 0.000 0.525 505 A N 2.669 125.471 122.820 -0.029 0.000 1.892 505 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 505 A C 2.360 179.903 177.584 -0.068 0.000 1.188 505 A CA 2.087 54.095 52.037 -0.048 0.000 0.631 505 A CB -0.782 18.186 19.000 -0.053 0.000 0.822 505 A HN 0.613 nan 8.150 nan 0.000 0.447 506 K N -0.788 119.573 120.400 -0.065 0.000 2.057 506 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 506 K C 1.386 177.920 176.600 -0.109 0.000 1.049 506 K CA 1.772 58.008 56.287 -0.084 0.000 0.931 506 K CB -0.224 32.235 32.500 -0.068 0.000 0.714 506 K HN 0.382 nan 8.250 nan 0.000 0.440 507 D N 0.993 121.340 120.400 -0.087 0.000 2.117 507 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 507 D C 1.458 177.694 176.300 -0.107 0.000 0.982 507 D CA 1.023 54.964 54.000 -0.098 0.000 0.828 507 D CB -0.281 40.488 40.800 -0.051 0.000 0.967 507 D HN 0.262 nan 8.370 nan 0.000 0.464 508 D N -0.369 119.985 120.400 -0.077 0.000 2.218 508 D HA -0.091 4.549 4.640 -0.000 0.000 0.204 508 D C 1.685 177.925 176.300 -0.101 0.000 0.976 508 D CA 1.164 55.125 54.000 -0.066 0.000 0.853 508 D CB -0.116 40.653 40.800 -0.050 0.000 0.939 508 D HN 0.317 nan 8.370 nan 0.000 0.481 509 T N -3.048 111.427 114.554 -0.132 0.000 3.129 509 T HA 0.205 4.555 4.350 -0.000 0.000 0.267 509 T C 1.497 176.064 174.700 -0.222 0.000 1.018 509 T CA -0.483 61.526 62.100 -0.152 0.000 0.903 509 T CB 0.589 69.380 68.868 -0.127 0.000 1.067 509 T HN -0.055 nan 8.240 nan 0.000 0.549 510 R N 0.386 120.678 120.500 -0.347 0.000 2.105 510 R HA -0.089 4.251 4.340 -0.000 0.000 0.239 510 R C 0.497 176.413 176.300 -0.639 0.000 1.135 510 R CA 1.587 57.331 56.100 -0.594 0.000 0.967 510 R CB -0.156 29.550 30.300 -0.989 0.000 0.861 510 R HN 0.553 nan 8.270 nan 0.000 0.442 511 Y N -1.540 118.678 120.300 -0.137 0.000 2.612 511 Y HA 0.483 5.033 4.550 -0.000 0.000 0.250 511 Y C 0.462 176.252 175.900 -0.184 0.000 1.175 511 Y CA 0.044 58.049 58.100 -0.159 0.000 1.205 511 Y CB 1.516 39.865 38.460 -0.185 0.000 1.201 511 Y HN 0.153 nan 8.280 nan 0.000 0.532 512 G N -0.960 107.790 108.800 -0.084 0.000 2.368 512 G HA2 0.327 4.287 3.960 -0.000 0.000 0.293 512 G HA3 0.327 4.287 3.960 -0.000 0.000 0.293 512 G C -1.193 173.633 174.900 -0.123 0.000 1.467 512 G CA -0.964 44.069 45.100 -0.112 0.000 0.804 512 G HN -0.193 nan 8.290 nan 0.000 0.535 513 T N 0.623 115.106 114.554 -0.118 0.000 2.907 513 T HA 0.364 4.714 4.350 -0.000 0.000 0.298 513 T C 0.340 174.966 174.700 -0.124 0.000 1.017 513 T CA -0.072 61.963 62.100 -0.107 0.000 1.118 513 T CB 1.370 70.187 68.868 -0.084 0.000 0.948 513 T HN 0.580 nan 8.240 nan 0.000 0.531 514 L N 5.202 126.356 121.223 -0.114 0.000 2.407 514 L HA 0.308 4.648 4.340 -0.000 0.000 0.282 514 L C 0.932 177.721 176.870 -0.135 0.000 1.110 514 L CA 0.180 54.945 54.840 -0.125 0.000 0.863 514 L CB -0.344 41.656 42.059 -0.098 0.000 1.207 514 L HN 0.729 nan 8.230 nan 0.000 0.454 515 I N -0.114 120.335 120.570 -0.201 0.000 4.070 515 I HA 0.446 4.616 4.170 -0.000 0.000 0.328 515 I C -0.031 175.954 176.117 -0.219 0.000 1.298 515 I CA 0.042 61.229 61.300 -0.189 0.000 1.173 515 I CB 0.344 38.231 38.000 -0.188 0.000 1.051 515 I HN 0.445 nan 8.210 nan 0.000 0.409 516 D N -0.256 119.967 120.400 -0.295 0.000 2.643 516 D HA 0.269 4.909 4.640 -0.000 0.000 0.283 516 D C -0.813 175.365 176.300 -0.204 0.000 1.242 516 D CA -0.499 53.349 54.000 -0.252 0.000 0.863 516 D CB 1.367 42.054 40.800 -0.188 0.000 1.382 516 D HN 0.000 nan 8.370 nan 0.000 0.444 517 H N 1.310 120.387 119.070 0.012 0.000 3.070 517 H HA 0.101 4.657 4.556 -0.000 0.000 0.313 517 H C 0.391 175.720 175.328 0.001 0.000 0.997 517 H CA 0.973 57.029 56.048 0.014 0.000 1.438 517 H CB -0.292 29.497 29.762 0.046 0.000 1.455 517 H HN 0.471 nan 8.280 nan 0.000 0.575 518 N N 0.739 119.499 118.700 0.100 0.000 2.753 518 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 518 N C -0.848 174.658 175.510 -0.007 0.000 1.097 518 N CA 0.738 53.819 53.050 0.051 0.000 0.786 518 N CB -0.908 37.631 38.487 0.087 0.000 1.137 518 N HN 0.526 nan 8.380 nan 0.000 0.566 519 I N 0.503 121.019 120.570 -0.091 0.000 2.500 519 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 519 I C -0.569 175.395 176.117 -0.255 0.000 1.063 519 I CA -0.854 60.322 61.300 -0.207 0.000 1.062 519 I CB 1.832 39.593 38.000 -0.398 0.000 1.223 519 I HN -0.236 nan 8.210 nan 0.000 0.435 520 V N 4.858 124.654 119.914 -0.197 0.000 2.435 520 V HA 0.490 4.610 4.120 -0.000 0.000 0.290 520 V C 0.674 176.639 176.094 -0.215 0.000 1.030 520 V CA -0.466 61.716 62.300 -0.197 0.000 0.881 520 V CB 1.812 33.538 31.823 -0.162 0.000 0.983 520 V HN 0.853 nan 8.190 nan 0.000 0.445 521 G N 3.119 111.795 108.800 -0.207 0.000 2.530 521 G HA2 0.345 4.305 3.960 -0.000 0.000 0.313 521 G HA3 0.345 4.305 3.960 -0.000 0.000 0.313 521 G C 0.251 175.079 174.900 -0.121 0.000 0.971 521 G CA -0.159 44.853 45.100 -0.146 0.000 1.237 521 G HN 0.653 nan 8.290 nan 0.000 0.446 522 T N 2.200 116.673 114.554 -0.136 0.000 2.940 522 T HA 0.143 4.493 4.350 -0.000 0.000 0.309 522 T C 1.051 175.809 174.700 0.097 0.000 1.056 522 T CA 0.339 62.340 62.100 -0.164 0.000 1.137 522 T CB 0.724 69.251 68.868 -0.569 0.000 0.976 522 T HN 0.384 nan 8.240 nan 0.000 0.547 523 T N 4.895 119.456 114.554 0.012 0.000 2.919 523 T HA 0.317 4.667 4.350 -0.000 0.000 0.302 523 T C 0.234 174.938 174.700 0.007 0.000 1.031 523 T CA -0.322 61.743 62.100 -0.058 0.000 1.127 523 T CB 0.066 68.875 68.868 -0.100 0.000 0.952 523 T HN 0.824 nan 8.240 nan 0.000 0.540 524 H N 0.411 119.310 119.070 -0.285 0.000 2.950 524 H HA 0.509 5.065 4.556 -0.000 0.000 0.272 524 H C -1.311 173.836 175.328 -0.301 0.000 1.495 524 H CA -1.093 54.697 56.048 -0.431 0.000 1.183 524 H CB 0.986 30.103 29.762 -1.075 0.000 1.867 524 H HN 0.501 nan 8.280 nan 0.000 0.597 525 Q N -0.197 119.445 119.800 -0.263 0.000 2.433 525 Q HA 0.390 4.730 4.340 -0.000 0.000 0.279 525 Q C -1.263 174.568 176.000 -0.282 0.000 1.105 525 Q CA -0.830 54.853 55.803 -0.200 0.000 0.815 525 Q CB 2.730 31.432 28.738 -0.059 0.000 1.403 525 Q HN 0.552 nan 8.270 nan 0.000 0.435 526 H N 0.580 119.622 119.070 -0.046 0.000 2.587 526 H HA 0.486 5.042 4.556 -0.000 0.000 0.325 526 H C -0.920 174.192 175.328 -0.360 0.000 1.012 526 H CA -0.279 55.650 56.048 -0.198 0.000 1.213 526 H CB 0.885 30.571 29.762 -0.127 0.000 1.431 526 H HN 0.322 nan 8.280 nan 0.000 0.492 527 I N 4.561 124.937 120.570 -0.323 0.000 2.439 527 I HA 0.219 4.389 4.170 -0.000 0.000 0.283 527 I C -1.006 174.988 176.117 -0.204 0.000 1.023 527 I CA -0.711 60.479 61.300 -0.184 0.000 1.100 527 I CB 0.769 38.727 38.000 -0.069 0.000 1.238 527 I HN 0.495 nan 8.210 nan 0.000 0.445 528 Y N 4.705 125.090 120.300 0.142 0.000 2.387 528 Y HA 0.454 5.004 4.550 -0.000 0.000 0.330 528 Y C 0.352 176.233 175.900 -0.032 0.000 1.133 528 Y CA -0.735 57.370 58.100 0.009 0.000 1.152 528 Y CB 1.163 39.613 38.460 -0.017 0.000 1.215 528 Y HN 0.479 nan 8.280 nan 0.000 0.466 529 N N 2.054 120.708 118.700 -0.077 0.000 2.295 529 N HA 0.384 5.124 4.740 -0.000 0.000 0.293 529 N C -2.203 173.127 175.510 -0.301 0.000 1.040 529 N CA -0.429 52.588 53.050 -0.055 0.000 0.840 529 N CB 1.105 39.594 38.487 0.004 0.000 1.468 529 N HN 0.461 nan 8.380 nan 0.000 0.478 530 F N 1.530 121.604 119.950 0.206 0.000 2.444 530 F HA 0.434 4.961 4.527 -0.000 0.000 0.342 530 F C 0.893 176.731 175.800 0.064 0.000 1.121 530 F CA -0.845 57.233 58.000 0.131 0.000 0.997 530 F CB 1.503 40.546 39.000 0.071 0.000 1.130 530 F HN 0.287 nan 8.300 nan 0.000 0.454 531 R N 4.825 125.377 120.500 0.086 0.000 2.215 531 R HA 0.629 4.969 4.340 -0.000 0.000 0.336 531 R C -1.798 174.354 176.300 -0.247 0.000 0.996 531 R CA -0.367 55.487 56.100 -0.410 0.000 0.847 531 R CB 0.344 30.237 30.300 -0.679 0.000 1.127 531 R HN 0.803 nan 8.270 nan 0.000 0.465 532 L N 4.496 125.561 121.223 -0.263 0.000 2.366 532 L HA 0.270 4.610 4.340 -0.000 0.000 0.266 532 L C -0.580 176.223 176.870 -0.112 0.000 1.010 532 L CA -0.871 53.907 54.840 -0.104 0.000 0.879 532 L CB 1.604 43.656 42.059 -0.013 0.000 1.228 532 L HN 0.547 nan 8.230 nan 0.000 0.439 533 D N 4.400 124.757 120.400 -0.071 0.000 2.470 533 D HA 0.215 4.855 4.640 -0.000 0.000 0.226 533 D C -0.220 176.136 176.300 0.094 0.000 1.196 533 D CA 0.049 54.071 54.000 0.036 0.000 0.979 533 D CB 0.315 41.187 40.800 0.121 0.000 1.059 533 D HN 0.326 nan 8.370 nan 0.000 0.515 534 L N 2.628 123.892 121.223 0.069 0.000 2.331 534 L HA 0.274 4.613 4.340 -0.000 0.000 0.278 534 L C 0.092 177.034 176.870 0.119 0.000 1.106 534 L CA -0.303 54.583 54.840 0.076 0.000 0.824 534 L CB 0.898 42.972 42.059 0.025 0.000 1.142 534 L HN 0.134 nan 8.230 nan 0.000 0.443 535 D N 2.542 123.040 120.400 0.162 0.000 2.432 535 D HA 0.185 4.825 4.640 -0.000 0.000 0.265 535 D C -0.448 175.912 176.300 0.099 0.000 1.160 535 D CA -0.200 53.879 54.000 0.132 0.000 0.911 535 D CB 1.644 42.555 40.800 0.184 0.000 1.052 535 D HN 0.023 nan 8.370 nan 0.000 0.508 536 V N 2.893 122.875 119.914 0.114 0.000 2.377 536 V HA 0.005 4.125 4.120 -0.000 0.000 0.254 536 V C 0.941 177.160 176.094 0.209 0.000 1.060 536 V CA 0.067 62.493 62.300 0.211 0.000 1.068 536 V CB 0.168 32.140 31.823 0.249 0.000 1.113 536 V HN 0.576 nan 8.190 nan 0.000 0.484 537 D N 3.489 124.030 120.400 0.236 0.000 2.983 537 D HA -0.148 4.492 4.640 -0.000 0.000 0.225 537 D C 0.350 176.609 176.300 -0.068 0.000 1.174 537 D CA 1.803 55.828 54.000 0.042 0.000 0.831 537 D CB -0.944 39.773 40.800 -0.138 0.000 1.104 537 D HN 1.166 nan 8.370 nan 0.000 0.421 538 G N -0.932 107.821 108.800 -0.079 0.000 2.350 538 G HA2 0.233 4.193 3.960 -0.000 0.000 0.304 538 G HA3 0.233 4.193 3.960 -0.000 0.000 0.304 538 G C 0.156 175.012 174.900 -0.073 0.000 1.421 538 G CA 0.250 45.270 45.100 -0.133 0.000 0.934 538 G HN 0.078 nan 8.290 nan 0.000 0.632 539 E N -0.133 120.020 120.200 -0.077 0.000 2.318 539 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 539 E C 0.088 176.691 176.600 0.005 0.000 0.998 539 E CA 0.176 56.562 56.400 -0.024 0.000 0.859 539 E CB -0.067 29.608 29.700 -0.042 0.000 0.812 539 E HN 0.328 nan 8.360 nan 0.000 0.492 540 N N 2.419 121.116 118.700 -0.005 0.000 2.400 540 N HA 0.125 4.865 4.740 -0.000 0.000 0.267 540 N C -0.950 174.575 175.510 0.026 0.000 1.208 540 N CA 0.210 53.268 53.050 0.013 0.000 0.951 540 N CB 0.268 38.757 38.487 0.002 0.000 1.227 540 N HN 0.269 nan 8.380 nan 0.000 0.488 541 N N -0.183 118.543 118.700 0.044 0.000 2.380 541 N HA 0.480 5.220 4.740 -0.000 0.000 0.290 541 N C -0.947 174.596 175.510 0.055 0.000 1.236 541 N CA -0.709 52.373 53.050 0.054 0.000 0.780 541 N CB 1.456 39.986 38.487 0.071 0.000 1.438 541 N HN 0.170 nan 8.380 nan 0.000 0.491 542 S N 0.594 116.324 115.700 0.051 0.000 2.599 542 S HA 0.452 4.922 4.470 -0.000 0.000 0.287 542 S C -1.348 173.275 174.600 0.039 0.000 1.105 542 S CA -0.626 57.602 58.200 0.047 0.000 0.899 542 S CB 1.716 64.938 63.200 0.036 0.000 1.100 542 S HN 0.393 nan 8.310 nan 0.000 0.482 543 L N 2.778 124.023 121.223 0.035 0.000 2.257 543 L HA 0.651 4.991 4.340 -0.000 0.000 0.290 543 L C -1.260 175.591 176.870 -0.033 0.000 1.044 543 L CA -0.120 54.730 54.840 0.016 0.000 0.810 543 L CB 0.601 42.685 42.059 0.042 0.000 1.193 543 L HN 0.464 nan 8.230 nan 0.000 0.425 544 V N 5.060 124.927 119.914 -0.079 0.000 2.495 544 V HA 0.818 4.938 4.120 -0.000 0.000 0.298 544 V C 0.215 176.157 176.094 -0.255 0.000 1.031 544 V CA -0.501 61.707 62.300 -0.154 0.000 0.871 544 V CB 1.419 33.166 31.823 -0.128 0.000 0.988 544 V HN 0.945 nan 8.190 nan 0.000 0.432 545 A N 5.798 128.353 122.820 -0.442 0.000 2.312 545 A HA 0.948 5.268 4.320 -0.000 0.000 0.328 545 A C -0.486 176.823 177.584 -0.458 0.000 1.158 545 A CA -0.575 51.140 52.037 -0.535 0.000 0.821 545 A CB 0.948 19.374 19.000 -0.958 0.000 1.170 545 A HN 0.832 nan 8.150 nan 0.000 0.490 546 M N 2.392 121.815 119.600 -0.294 0.000 2.090 546 M HA 0.245 4.725 4.480 -0.000 0.000 0.277 546 M C -1.754 174.491 176.300 -0.093 0.000 0.935 546 M CA -0.435 54.759 55.300 -0.178 0.000 0.966 546 M CB 1.953 34.431 32.600 -0.202 0.000 1.635 546 M HN 0.553 nan 8.290 nan 0.000 0.446 547 D N 5.218 125.613 120.400 -0.007 0.000 2.427 547 D HA 0.366 5.006 4.640 -0.000 0.000 0.226 547 D C -2.459 173.861 176.300 0.034 0.000 1.076 547 D CA -1.399 52.618 54.000 0.030 0.000 0.849 547 D CB 1.184 42.047 40.800 0.105 0.000 1.052 547 D HN 0.126 nan 8.370 nan 0.000 0.515 548 P HA 0.013 nan 4.420 nan 0.000 0.267 548 P C -0.349 176.967 177.300 0.026 0.000 1.205 548 P CA -0.204 62.913 63.100 0.029 0.000 0.765 548 P CB 0.773 32.490 31.700 0.029 0.000 0.828 549 V N 1.309 121.240 119.914 0.029 0.000 3.130 549 V HA 0.579 4.699 4.120 -0.000 0.000 0.310 549 V C -0.475 175.631 176.094 0.020 0.000 1.158 549 V CA -1.157 61.157 62.300 0.023 0.000 1.029 549 V CB 2.114 33.952 31.823 0.025 0.000 1.057 549 V HN 0.105 nan 8.190 nan 0.000 0.436 550 V N 1.993 121.916 119.914 0.015 0.000 2.432 550 V HA 0.545 4.665 4.120 -0.000 0.000 0.275 550 V C 0.138 176.239 176.094 0.012 0.000 1.043 550 V CA -0.266 62.042 62.300 0.013 0.000 0.925 550 V CB 0.914 32.743 31.823 0.010 0.000 0.985 550 V HN 0.967 nan 8.190 nan 0.000 0.466 551 K N 4.983 125.390 120.400 0.012 0.000 2.435 551 K HA 0.554 4.874 4.320 -0.000 0.000 0.251 551 K C -2.849 173.756 176.600 0.009 0.000 0.954 551 K CA -1.997 54.296 56.287 0.010 0.000 0.820 551 K CB 2.511 35.019 32.500 0.013 0.000 1.292 551 K HN 0.320 nan 8.250 nan 0.000 0.436 552 P HA -0.013 nan 4.420 nan 0.000 0.268 552 P C -1.018 176.286 177.300 0.007 0.000 1.205 552 P CA -0.246 62.858 63.100 0.006 0.000 0.771 552 P CB 0.398 32.101 31.700 0.004 0.000 0.858 553 N N 1.627 120.331 118.700 0.006 0.000 2.452 553 N HA 0.043 4.782 4.740 -0.000 0.000 0.266 553 N C 0.558 176.071 175.510 0.006 0.000 1.175 553 N CA 0.328 53.382 53.050 0.006 0.000 0.945 553 N CB 0.011 38.502 38.487 0.006 0.000 1.063 553 N HN 0.333 nan 8.380 nan 0.000 0.472 554 T N 0.026 114.584 114.554 0.006 0.000 3.085 554 T HA 0.354 4.704 4.350 -0.000 0.000 0.264 554 T C 1.007 175.710 174.700 0.005 0.000 1.019 554 T CA 0.124 62.227 62.100 0.005 0.000 0.910 554 T CB 0.137 69.008 68.868 0.006 0.000 1.059 554 T HN 0.377 nan 8.240 nan 0.000 0.542 555 A N 0.764 123.587 122.820 0.005 0.000 2.267 555 A HA 0.752 5.072 4.320 -0.000 0.000 0.213 555 A C 1.376 178.962 177.584 0.004 0.000 1.192 555 A CA 0.247 52.286 52.037 0.005 0.000 0.851 555 A CB -0.486 18.517 19.000 0.005 0.000 0.881 555 A HN 1.379 nan 8.150 nan 0.000 0.494 556 G N -2.367 106.435 108.800 0.004 0.000 2.592 556 G HA2 0.491 4.451 3.960 -0.000 0.000 0.684 556 G HA3 0.491 4.451 3.960 -0.000 0.000 0.684 556 G C 0.672 175.574 174.900 0.003 0.000 1.291 556 G CA -0.124 44.978 45.100 0.003 0.000 0.891 556 G HN 2.412 nan 8.290 nan 0.000 0.544 557 G N -1.166 107.636 108.800 0.003 0.000 2.760 557 G HA2 0.240 4.200 3.960 -0.000 0.000 0.246 557 G HA3 0.240 4.200 3.960 -0.000 0.000 0.246 557 G C -0.903 173.998 174.900 0.003 0.000 1.359 557 G CA 0.619 45.721 45.100 0.003 0.000 0.861 557 G HN 1.373 nan 8.290 nan 0.000 0.541 558 P HA 0.134 nan 4.420 nan 0.000 0.231 558 P C 0.868 178.170 177.300 0.003 0.000 1.168 558 P CA 0.294 63.395 63.100 0.003 0.000 0.779 558 P CB 0.174 31.876 31.700 0.003 0.000 0.844 559 R N 0.430 120.933 120.500 0.004 0.000 2.489 559 R HA 0.068 4.408 4.340 -0.000 0.000 0.287 559 R C 1.427 177.730 176.300 0.005 0.000 1.053 559 R CA 0.659 56.762 56.100 0.004 0.000 1.036 559 R CB -0.104 30.199 30.300 0.005 0.000 0.966 559 R HN 0.183 nan 8.270 nan 0.000 0.432 560 T N -2.048 112.509 114.554 0.005 0.000 3.067 560 T HA -0.001 4.349 4.350 -0.000 0.000 0.261 560 T C 0.803 175.506 174.700 0.005 0.000 1.110 560 T CA 0.495 62.598 62.100 0.004 0.000 1.113 560 T CB 0.128 68.999 68.868 0.004 0.000 0.917 560 T HN 0.538 nan 8.240 nan 0.000 0.499 561 S N 0.405 116.109 115.700 0.006 0.000 2.596 561 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 561 S C -0.706 173.899 174.600 0.009 0.000 1.155 561 S CA -0.386 57.819 58.200 0.007 0.000 0.827 561 S CB 1.925 65.130 63.200 0.007 0.000 1.130 561 S HN 0.718 nan 8.310 nan 0.000 0.467 562 T N -1.114 113.446 114.554 0.010 0.000 2.883 562 T HA 0.680 5.030 4.350 -0.000 0.000 0.296 562 T C -0.766 173.943 174.700 0.015 0.000 1.117 562 T CA -0.952 61.155 62.100 0.012 0.000 1.006 562 T CB 1.335 70.211 68.868 0.013 0.000 1.191 562 T HN 0.695 nan 8.240 nan 0.000 0.508 563 M N 2.281 121.891 119.600 0.018 0.000 2.061 563 M HA 0.402 4.882 4.480 -0.000 0.000 0.346 563 M C -0.224 176.092 176.300 0.027 0.000 1.112 563 M CA -0.422 54.891 55.300 0.022 0.000 1.021 563 M CB 1.265 33.880 32.600 0.023 0.000 1.530 563 M HN 0.612 nan 8.290 nan 0.000 0.437 564 Q N 1.561 121.378 119.800 0.029 0.000 2.552 564 Q HA 0.785 5.125 4.340 -0.000 0.000 0.289 564 Q C -1.204 174.821 176.000 0.041 0.000 1.097 564 Q CA -1.164 54.660 55.803 0.034 0.000 0.812 564 Q CB 3.094 31.851 28.738 0.030 0.000 1.460 564 Q HN 0.440 nan 8.270 nan 0.000 0.452 565 V N 1.385 121.327 119.914 0.047 0.000 2.495 565 V HA 0.259 4.379 4.120 -0.000 0.000 0.298 565 V C -0.498 175.632 176.094 0.061 0.000 1.031 565 V CA -0.901 61.429 62.300 0.051 0.000 0.871 565 V CB 1.762 33.617 31.823 0.054 0.000 0.988 565 V HN 0.639 nan 8.190 nan 0.000 0.432 566 N N 4.215 122.962 118.700 0.078 0.000 2.415 566 N HA 0.175 4.915 4.740 -0.000 0.000 0.246 566 N C -0.536 175.077 175.510 0.171 0.000 1.078 566 N CA 0.091 53.221 53.050 0.133 0.000 0.942 566 N CB 1.102 39.693 38.487 0.172 0.000 1.140 566 N HN 0.767 nan 8.380 nan 0.000 0.501 567 Q N 3.801 123.692 119.800 0.151 0.000 2.316 567 Q HA 0.346 4.686 4.340 -0.000 0.000 0.264 567 Q C -1.639 174.475 176.000 0.190 0.000 0.987 567 Q CA -0.758 55.092 55.803 0.079 0.000 0.852 567 Q CB 1.004 29.756 28.738 0.022 0.000 1.287 567 Q HN 0.576 nan 8.270 nan 0.000 0.448 568 Y N 0.271 120.567 120.300 -0.007 0.000 2.565 568 Y HA 0.487 5.037 4.550 -0.000 0.000 0.330 568 Y C -1.497 174.403 175.900 0.000 0.000 1.150 568 Y CA -1.469 56.631 58.100 -0.001 0.000 1.055 568 Y CB 0.569 39.029 38.460 0.000 0.000 1.337 568 Y HN 0.501 nan 8.280 nan 0.000 0.457 569 N N 1.485 120.254 118.700 0.115 0.000 2.513 569 N HA 0.507 5.247 4.740 -0.000 0.000 0.274 569 N C -1.149 174.426 175.510 0.108 0.000 1.189 569 N CA -0.332 52.745 53.050 0.044 0.000 0.975 569 N CB 0.956 39.475 38.487 0.054 0.000 1.157 569 N HN 0.713 nan 8.380 nan 0.000 0.465 570 I N 0.565 121.167 120.570 0.052 0.000 2.354 570 I HA 0.281 4.451 4.170 -0.000 0.000 0.286 570 I C 1.200 177.362 176.117 0.075 0.000 1.007 570 I CA -0.321 61.031 61.300 0.086 0.000 1.167 570 I CB 1.536 39.567 38.000 0.053 0.000 1.320 570 I HN 0.699 nan 8.210 nan 0.000 0.458 571 G N 4.922 113.770 108.800 0.081 0.000 2.838 571 G HA2 0.012 3.972 3.960 -0.000 0.000 0.210 571 G HA3 0.012 3.972 3.960 -0.000 0.000 0.210 571 G C 0.256 175.197 174.900 0.069 0.000 1.153 571 G CA 0.173 45.314 45.100 0.069 0.000 0.778 571 G HN 0.645 nan 8.290 nan 0.000 0.539 572 N N -1.847 116.896 118.700 0.072 0.000 2.825 572 N HA 0.184 4.924 4.740 -0.000 0.000 0.253 572 N C 0.226 175.787 175.510 0.084 0.000 1.426 572 N CA -0.792 52.304 53.050 0.076 0.000 0.851 572 N CB 0.795 39.321 38.487 0.065 0.000 1.470 572 N HN -0.092 nan 8.380 nan 0.000 0.517 573 E N -0.684 119.575 120.200 0.098 0.000 2.153 573 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 573 E C 0.845 177.501 176.600 0.095 0.000 0.988 573 E CA 1.188 57.662 56.400 0.123 0.000 0.811 573 E CB 0.039 29.828 29.700 0.148 0.000 0.746 573 E HN 0.512 nan 8.360 nan 0.000 0.466 574 Q N 0.509 120.349 119.800 0.068 0.000 2.096 574 Q HA -0.121 4.219 4.340 -0.000 0.000 0.197 574 Q C 1.576 177.573 176.000 -0.004 0.000 0.964 574 Q CA 0.948 56.772 55.803 0.033 0.000 0.838 574 Q CB -0.057 28.702 28.738 0.036 0.000 0.906 574 Q HN 0.274 nan 8.270 nan 0.000 0.444 575 D N 1.007 121.418 120.400 0.019 0.000 2.178 575 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 575 D C 1.571 177.874 176.300 0.004 0.000 0.974 575 D CA 1.173 55.183 54.000 0.017 0.000 0.841 575 D CB -0.063 40.766 40.800 0.048 0.000 0.953 575 D HN 0.220 nan 8.370 nan 0.000 0.478 576 A N 0.273 123.105 122.820 0.020 0.000 2.168 576 A HA 0.245 4.565 4.320 -0.000 0.000 0.215 576 A C 1.286 178.828 177.584 -0.070 0.000 1.152 576 A CA 0.709 52.759 52.037 0.023 0.000 0.716 576 A CB -0.166 18.887 19.000 0.087 0.000 0.794 576 A HN 0.154 nan 8.150 nan 0.000 0.465 577 A N 1.035 123.741 122.820 -0.191 0.000 2.506 577 A HA 0.546 4.866 4.320 -0.000 0.000 0.320 577 A C 0.049 177.330 177.584 -0.505 0.000 1.424 577 A CA -0.453 51.233 52.037 -0.585 0.000 1.044 577 A CB -0.319 18.226 19.000 -0.760 0.000 1.140 577 A HN 0.648 nan 8.150 nan 0.000 0.538 578 Q N 1.785 121.335 119.800 -0.417 0.000 2.501 578 Q HA 0.511 4.851 4.340 -0.000 0.000 0.288 578 Q C -1.153 174.781 176.000 -0.111 0.000 1.051 578 Q CA -1.339 54.346 55.803 -0.196 0.000 0.788 578 Q CB 1.172 29.870 28.738 -0.066 0.000 1.469 578 Q HN 0.308 nan 8.270 nan 0.000 0.416 579 K N 1.028 121.407 120.400 -0.035 0.000 2.436 579 K HA 0.168 4.487 4.320 -0.000 0.000 0.275 579 K C -0.799 175.880 176.600 0.132 0.000 0.999 579 K CA 0.035 56.348 56.287 0.044 0.000 0.980 579 K CB 0.187 32.701 32.500 0.022 0.000 0.919 579 K HN 0.592 nan 8.250 nan 0.000 0.484 580 F N 2.700 122.664 119.950 0.024 0.000 2.385 580 F HA 0.114 4.641 4.527 -0.000 0.000 0.360 580 F C -0.001 175.832 175.800 0.056 0.000 1.122 580 F CA -1.321 56.709 58.000 0.050 0.000 1.090 580 F CB 0.797 39.853 39.000 0.094 0.000 1.150 580 F HN 0.394 nan 8.300 nan 0.000 0.472 581 D N 8.732 128.842 120.400 -0.483 0.000 2.280 581 D HA 0.272 4.912 4.640 -0.000 0.000 0.243 581 D C -1.986 173.718 176.300 -0.993 0.000 1.129 581 D CA -2.589 51.115 54.000 -0.493 0.000 0.848 581 D CB 1.908 42.555 40.800 -0.256 0.000 1.107 581 D HN 0.285 nan 8.370 nan 0.000 0.471 582 P HA 0.084 nan 4.420 nan 0.000 0.242 582 P C 1.037 178.203 177.300 -0.222 0.000 1.197 582 P CA 0.286 63.083 63.100 -0.505 0.000 0.765 582 P CB 0.265 32.005 31.700 0.068 0.000 0.936 583 G N -0.436 108.236 108.800 -0.213 0.000 2.880 583 G HA2 0.024 3.983 3.960 -0.000 0.000 0.209 583 G HA3 0.024 3.983 3.960 -0.000 0.000 0.209 583 G C 0.586 175.429 174.900 -0.095 0.000 1.157 583 G CA 0.393 45.434 45.100 -0.097 0.000 0.779 583 G HN 0.403 nan 8.290 nan 0.000 0.539 584 T N -1.570 112.878 114.554 -0.177 0.000 2.948 584 T HA 0.726 5.076 4.350 -0.000 0.000 0.285 584 T C -0.409 174.268 174.700 -0.040 0.000 1.019 584 T CA -0.811 61.227 62.100 -0.104 0.000 1.013 584 T CB 2.275 71.077 68.868 -0.110 0.000 1.117 584 T HN -0.073 nan 8.240 nan 0.000 0.533 585 I N 1.013 121.554 120.570 -0.049 0.000 2.474 585 I HA 0.529 4.699 4.170 -0.000 0.000 0.294 585 I C -0.061 175.990 176.117 -0.110 0.000 1.005 585 I CA -1.078 60.172 61.300 -0.084 0.000 1.113 585 I CB 1.787 39.622 38.000 -0.275 0.000 1.289 585 I HN 0.400 nan 8.210 nan 0.000 0.436 586 R N 6.933 127.401 120.500 -0.054 0.000 2.476 586 R HA 0.641 4.981 4.340 -0.000 0.000 0.305 586 R C -1.375 174.856 176.300 -0.116 0.000 0.965 586 R CA -0.710 55.349 56.100 -0.067 0.000 0.867 586 R CB 1.896 32.228 30.300 0.053 0.000 1.176 586 R HN 0.556 nan 8.270 nan 0.000 0.447 587 L N 3.123 124.250 121.223 -0.160 0.000 2.334 587 L HA 0.539 4.879 4.340 -0.000 0.000 0.276 587 L C -0.381 176.471 176.870 -0.031 0.000 1.014 587 L CA -1.305 53.459 54.840 -0.127 0.000 0.815 587 L CB 1.777 43.699 42.059 -0.228 0.000 1.268 587 L HN 0.235 nan 8.230 nan 0.000 0.428 588 L N 1.999 123.247 121.223 0.042 0.000 2.262 588 L HA 0.450 4.790 4.340 -0.000 0.000 0.288 588 L C -0.293 176.637 176.870 0.101 0.000 1.035 588 L CA 0.468 55.352 54.840 0.074 0.000 0.820 588 L CB 1.166 43.284 42.059 0.098 0.000 1.204 588 L HN 0.528 nan 8.230 nan 0.000 0.424 589 S N 3.570 119.313 115.700 0.071 0.000 2.578 589 S HA 0.474 4.943 4.470 -0.000 0.000 0.301 589 S C -0.489 174.156 174.600 0.075 0.000 1.091 589 S CA -0.708 57.540 58.200 0.080 0.000 1.032 589 S CB 1.317 64.542 63.200 0.041 0.000 1.064 589 S HN 0.626 nan 8.310 nan 0.000 0.508 590 N N 2.796 121.541 118.700 0.074 0.000 2.485 590 N HA 0.279 5.019 4.740 -0.000 0.000 0.243 590 N C -2.027 173.495 175.510 0.020 0.000 0.987 590 N CA -2.085 50.989 53.050 0.040 0.000 0.940 590 N CB 1.325 39.827 38.487 0.025 0.000 1.122 590 N HN 0.226 nan 8.380 nan 0.000 0.509 591 P HA 0.024 nan 4.420 nan 0.000 0.237 591 P C 0.091 177.391 177.300 0.001 0.000 1.178 591 P CA 0.704 63.811 63.100 0.012 0.000 0.766 591 P CB 0.497 32.207 31.700 0.016 0.000 0.876 592 N N -0.158 118.537 118.700 -0.008 0.000 2.254 592 N HA 0.079 4.819 4.740 -0.000 0.000 0.190 592 N C 0.366 175.856 175.510 -0.033 0.000 1.107 592 N CA 0.376 53.414 53.050 -0.019 0.000 0.869 592 N CB 0.714 39.188 38.487 -0.022 0.000 0.983 592 N HN 0.306 nan 8.380 nan 0.000 0.487 593 K N 0.867 121.242 120.400 -0.041 0.000 2.464 593 K HA 0.433 4.753 4.320 -0.000 0.000 0.253 593 K C -0.853 175.705 176.600 -0.070 0.000 0.933 593 K CA -0.479 55.767 56.287 -0.069 0.000 0.801 593 K CB 2.570 35.006 32.500 -0.107 0.000 1.271 593 K HN -0.056 nan 8.250 nan 0.000 0.430 594 E N 1.334 121.488 120.200 -0.077 0.000 2.367 594 E HA 0.157 4.507 4.350 -0.000 0.000 0.273 594 E C -0.817 175.731 176.600 -0.086 0.000 0.903 594 E CA -1.130 55.233 56.400 -0.061 0.000 0.764 594 E CB 1.666 31.345 29.700 -0.034 0.000 1.252 594 E HN 0.610 nan 8.360 nan 0.000 0.446 595 N N 1.016 119.670 118.700 -0.076 0.000 2.327 595 N HA 0.000 4.740 4.740 -0.000 0.000 0.257 595 N C 0.754 176.234 175.510 -0.050 0.000 1.281 595 N CA -0.260 52.742 53.050 -0.079 0.000 0.942 595 N CB 0.550 38.998 38.487 -0.066 0.000 1.199 595 N HN 0.568 nan 8.380 nan 0.000 0.532 596 R N -1.125 119.350 120.500 -0.041 0.000 2.249 596 R HA -0.035 4.305 4.340 -0.000 0.000 0.230 596 R C 0.478 176.763 176.300 -0.025 0.000 1.121 596 R CA 1.259 57.341 56.100 -0.031 0.000 0.997 596 R CB -0.142 30.142 30.300 -0.025 0.000 0.867 596 R HN 0.524 nan 8.270 nan 0.000 0.465 597 M N -0.634 118.951 119.600 -0.025 0.000 2.419 597 M HA 0.294 4.774 4.480 -0.000 0.000 0.252 597 M C 0.707 177.001 176.300 -0.010 0.000 1.143 597 M CA 0.470 55.759 55.300 -0.018 0.000 0.985 597 M CB 1.348 33.936 32.600 -0.021 0.000 1.489 597 M HN 0.318 nan 8.290 nan 0.000 0.484 598 G N 0.783 109.575 108.800 -0.013 0.000 2.147 598 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.244 598 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.244 598 G C -0.107 174.797 174.900 0.006 0.000 1.005 598 G CA -0.003 45.094 45.100 -0.006 0.000 0.713 598 G HN 0.525 nan 8.290 nan 0.000 0.515 599 N N 1.212 119.918 118.700 0.011 0.000 2.430 599 N HA 0.537 5.277 4.740 -0.000 0.000 0.292 599 N C -2.666 172.863 175.510 0.032 0.000 1.051 599 N CA -1.784 51.289 53.050 0.039 0.000 0.917 599 N CB 1.584 40.109 38.487 0.064 0.000 1.164 599 N HN -0.037 nan 8.380 nan 0.000 0.484 600 P HA -0.066 nan 4.420 nan 0.000 0.264 600 P C -0.448 176.888 177.300 0.060 0.000 1.193 600 P CA -0.239 62.883 63.100 0.037 0.000 0.763 600 P CB 0.323 32.051 31.700 0.047 0.000 0.810 601 V N 1.818 121.737 119.914 0.007 0.000 2.585 601 V HA 0.401 4.521 4.120 -0.000 0.000 0.296 601 V C -0.022 176.179 176.094 0.178 0.000 1.035 601 V CA 0.350 62.660 62.300 0.016 0.000 1.084 601 V CB -0.044 31.643 31.823 -0.227 0.000 0.953 601 V HN 0.466 nan 8.190 nan 0.000 0.483 602 S N 3.314 119.194 115.700 0.300 0.000 2.588 602 S HA 0.722 5.192 4.470 -0.000 0.000 0.275 602 S C -1.377 173.410 174.600 0.312 0.000 1.130 602 S CA -0.488 57.893 58.200 0.301 0.000 0.855 602 S CB 1.672 65.004 63.200 0.219 0.000 1.116 602 S HN 0.737 nan 8.310 nan 0.000 0.472 603 Y N 1.750 122.129 120.300 0.131 0.000 2.393 603 Y HA 0.444 4.994 4.550 0.000 0.000 0.341 603 Y C 0.234 176.169 175.900 0.058 0.000 0.988 603 Y CA -0.453 57.690 58.100 0.072 0.000 1.078 603 Y CB 1.583 40.038 38.460 -0.008 0.000 1.203 603 Y HN 0.620 nan 8.280 nan 0.000 0.453 604 Q N 4.292 124.176 119.800 0.140 0.000 2.267 604 Q HA 0.493 4.833 4.340 -0.000 0.000 0.255 604 Q C -1.398 174.647 176.000 0.076 0.000 0.923 604 Q CA -0.395 55.450 55.803 0.070 0.000 0.925 604 Q CB 0.673 29.489 28.738 0.130 0.000 1.195 604 Q HN 0.705 nan 8.270 nan 0.000 0.417 605 I N 5.784 126.365 120.570 0.018 0.000 2.312 605 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 605 I C -0.433 175.588 176.117 -0.159 0.000 1.008 605 I CA -0.471 60.810 61.300 -0.031 0.000 1.226 605 I CB 1.133 39.120 38.000 -0.022 0.000 1.371 605 I HN 0.575 nan 8.210 nan 0.000 0.468 606 I N 8.541 128.994 120.570 -0.195 0.000 2.464 606 I HA 0.259 4.429 4.170 -0.000 0.000 0.277 606 I C -1.898 174.008 176.117 -0.352 0.000 1.040 606 I CA -1.490 59.605 61.300 -0.341 0.000 1.153 606 I CB 1.509 39.472 38.000 -0.062 0.000 1.274 606 I HN 0.336 nan 8.210 nan 0.000 0.469 607 P HA -0.111 nan 4.420 nan 0.000 0.229 607 P C -0.370 176.981 177.300 0.085 0.000 1.160 607 P CA 1.045 64.030 63.100 -0.192 0.000 0.777 607 P CB 0.053 31.628 31.700 -0.208 0.000 0.814 608 Y N -0.166 120.122 120.300 -0.020 0.000 2.402 608 Y HA 0.610 5.160 4.550 -0.000 0.000 0.325 608 Y C 0.083 176.127 175.900 0.241 0.000 1.009 608 Y CA -1.455 56.773 58.100 0.212 0.000 1.278 608 Y CB 0.719 39.386 38.460 0.346 0.000 1.105 608 Y HN -0.178 nan 8.280 nan 0.000 0.476 609 A N 3.573 126.238 122.820 -0.259 0.000 2.465 609 A HA 0.725 5.045 4.320 -0.000 0.000 0.255 609 A C 0.815 178.164 177.584 -0.392 0.000 1.274 609 A CA 0.383 52.272 52.037 -0.246 0.000 0.920 609 A CB -0.573 18.377 19.000 -0.084 0.000 1.033 609 A HN 1.478 nan 8.150 nan 0.000 0.516 610 G N -2.417 105.832 108.800 -0.918 0.000 2.354 610 G HA2 0.533 4.493 3.960 -0.000 0.000 0.582 610 G HA3 0.533 4.493 3.960 -0.000 0.000 0.582 610 G C -0.290 174.619 174.900 0.016 0.000 1.316 610 G CA -0.197 44.629 45.100 -0.457 0.000 0.995 610 G HN 1.909 nan 8.290 nan 0.000 0.573 611 G N -2.330 106.601 108.800 0.218 0.000 2.411 611 G HA2 0.681 4.641 3.960 -0.000 0.000 0.295 611 G HA3 0.681 4.641 3.960 -0.000 0.000 0.295 611 G C 0.420 175.438 174.900 0.197 0.000 1.542 611 G CA 0.938 46.166 45.100 0.213 0.000 0.814 611 G HN 1.993 nan 8.290 nan 0.000 0.557 612 T N -2.513 112.117 114.554 0.127 0.000 3.044 612 T HA 0.300 4.650 4.350 -0.000 0.000 0.250 612 T C 0.676 175.426 174.700 0.083 0.000 1.081 612 T CA 0.592 62.743 62.100 0.085 0.000 1.040 612 T CB -0.060 68.827 68.868 0.032 0.000 0.962 612 T HN 0.560 nan 8.240 nan 0.000 0.506 613 H N 1.127 120.224 119.070 0.044 0.000 2.651 613 H HA 0.474 5.030 4.556 -0.000 0.000 0.353 613 H C -2.465 172.898 175.328 0.057 0.000 1.178 613 H CA -2.803 53.252 56.048 0.012 0.000 1.224 613 H CB 1.454 31.182 29.762 -0.057 0.000 1.702 613 H HN 0.060 nan 8.280 nan 0.000 0.550 614 P HA -0.056 nan 4.420 nan 0.000 0.268 614 P C -0.924 176.418 177.300 0.071 0.000 1.208 614 P CA -0.021 63.128 63.100 0.082 0.000 0.777 614 P CB 0.583 32.289 31.700 0.012 0.000 0.875 615 V N 1.507 121.434 119.914 0.021 0.000 2.567 615 V HA 0.482 4.602 4.120 -0.000 0.000 0.289 615 V C 0.562 176.620 176.094 -0.060 0.000 1.049 615 V CA -0.795 61.467 62.300 -0.062 0.000 0.969 615 V CB 0.961 32.601 31.823 -0.306 0.000 0.995 615 V HN 0.650 nan 8.190 nan 0.000 0.471 616 A N 4.117 126.913 122.820 -0.040 0.000 2.362 616 A HA 0.396 4.716 4.320 -0.000 0.000 0.276 616 A C 1.169 178.732 177.584 -0.036 0.000 1.153 616 A CA -0.543 51.480 52.037 -0.023 0.000 0.813 616 A CB 0.252 19.258 19.000 0.009 0.000 1.081 616 A HN 0.849 nan 8.150 nan 0.000 0.507 617 K N 2.081 122.466 120.400 -0.026 0.000 2.362 617 K HA 0.085 4.405 4.320 -0.000 0.000 0.200 617 K C 0.981 177.595 176.600 0.023 0.000 1.046 617 K CA 1.114 57.393 56.287 -0.013 0.000 0.952 617 K CB -0.103 32.393 32.500 -0.007 0.000 0.753 617 K HN 0.973 nan 8.250 nan 0.000 0.466 618 G N 0.085 108.906 108.800 0.036 0.000 2.441 618 G HA2 0.367 4.327 3.960 -0.000 0.000 0.225 618 G HA3 0.367 4.327 3.960 -0.000 0.000 0.225 618 G C -1.668 173.276 174.900 0.073 0.000 1.200 618 G CA -0.368 44.766 45.100 0.056 0.000 0.947 618 G HN 0.173 nan 8.290 nan 0.000 0.484 619 A N 0.054 122.943 122.820 0.115 0.000 2.362 619 A HA 0.577 4.897 4.320 -0.000 0.000 0.276 619 A C 0.368 178.130 177.584 0.296 0.000 1.153 619 A CA -0.100 52.067 52.037 0.217 0.000 0.813 619 A CB 0.399 19.509 19.000 0.182 0.000 1.081 619 A HN 0.372 nan 8.150 nan 0.000 0.507 620 Q N 2.105 122.040 119.800 0.226 0.000 3.179 620 Q HA 0.254 4.594 4.340 -0.000 0.000 0.328 620 Q C -1.519 174.298 176.000 -0.305 0.000 1.336 620 Q CA 0.633 56.421 55.803 -0.025 0.000 0.939 620 Q CB -0.749 27.897 28.738 -0.153 0.000 1.658 620 Q HN 0.569 nan 8.270 nan 0.000 0.486 621 F N -0.491 119.524 119.950 0.108 0.000 2.581 621 F HA 0.480 5.007 4.527 -0.000 0.000 0.311 621 F C 0.186 176.005 175.800 0.032 0.000 1.113 621 F CA -1.330 56.740 58.000 0.116 0.000 0.935 621 F CB 1.147 40.272 39.000 0.209 0.000 1.232 621 F HN 0.070 nan 8.300 nan 0.000 0.445 622 A N 3.922 126.801 122.820 0.099 0.000 2.498 622 A HA 0.306 4.626 4.320 -0.000 0.000 0.239 622 A C -1.614 175.816 177.584 -0.257 0.000 1.068 622 A CA -0.886 51.114 52.037 -0.061 0.000 0.766 622 A CB -0.258 18.719 19.000 -0.038 0.000 1.003 622 A HN 0.571 nan 8.150 nan 0.000 0.497 623 P HA -0.104 nan 4.420 nan 0.000 0.236 623 P C 0.145 177.142 177.300 -0.505 0.000 1.172 623 P CA 1.232 63.705 63.100 -1.046 0.000 0.759 623 P CB 0.018 31.308 31.700 -0.683 0.000 0.843 624 D N -1.829 118.405 120.400 -0.277 0.000 2.340 624 D HA 0.001 4.641 4.640 -0.000 0.000 0.217 624 D C 0.350 176.540 176.300 -0.182 0.000 1.081 624 D CA -0.007 53.861 54.000 -0.219 0.000 0.842 624 D CB -0.308 40.394 40.800 -0.165 0.000 0.934 624 D HN 0.068 nan 8.370 nan 0.000 0.511 625 E N -0.077 120.096 120.200 -0.046 0.000 2.383 625 E HA -0.010 4.340 4.350 -0.000 0.000 0.264 625 E C 0.250 176.857 176.600 0.012 0.000 1.050 625 E CA -0.323 56.132 56.400 0.092 0.000 0.896 625 E CB 0.826 30.713 29.700 0.312 0.000 0.982 625 E HN 0.265 nan 8.360 nan 0.000 0.424 626 W N 1.834 123.149 121.300 0.026 0.000 2.388 626 W HA -0.095 4.565 4.660 -0.000 0.000 0.294 626 W C 2.152 178.634 176.519 -0.063 0.000 1.212 626 W CA 0.231 57.538 57.345 -0.064 0.000 1.271 626 W CB -0.048 29.215 29.460 -0.327 0.000 1.126 626 W HN 0.566 nan 8.180 nan 0.000 0.535 627 I N -0.568 120.034 120.570 0.054 0.000 2.226 627 I HA -0.364 3.806 4.170 -0.000 0.000 0.245 627 I C 2.366 178.384 176.117 -0.165 0.000 1.100 627 I CA 1.457 62.688 61.300 -0.116 0.000 1.374 627 I CB -0.434 37.390 38.000 -0.293 0.000 1.057 627 I HN 0.040 nan 8.210 nan 0.000 0.413 628 Y N 0.989 121.143 120.300 -0.244 0.000 2.128 628 Y HA -0.380 4.170 4.550 -0.000 0.000 0.284 628 Y C 2.662 178.513 175.900 -0.082 0.000 1.154 628 Y CA 2.501 60.499 58.100 -0.169 0.000 1.149 628 Y CB -0.759 37.670 38.460 -0.053 0.000 0.976 628 Y HN 0.319 nan 8.280 nan 0.000 0.505 629 H N -0.220 118.927 119.070 0.129 0.000 2.389 629 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 629 H C 2.206 177.545 175.328 0.019 0.000 1.081 629 H CA 1.911 57.992 56.048 0.056 0.000 1.345 629 H CB 0.001 29.689 29.762 -0.124 0.000 1.393 629 H HN 0.261 nan 8.280 nan 0.000 0.520 630 R N -0.450 120.105 120.500 0.092 0.000 2.148 630 R HA 0.087 4.427 4.340 -0.000 0.000 0.223 630 R C 0.109 176.340 176.300 -0.116 0.000 1.088 630 R CA 0.895 57.004 56.100 0.016 0.000 0.985 630 R CB 0.351 30.697 30.300 0.077 0.000 0.880 630 R HN 0.259 nan 8.270 nan 0.000 0.451 631 L N 0.534 121.647 121.223 -0.182 0.000 2.529 631 L HA 0.269 4.609 4.340 -0.000 0.000 0.246 631 L C 0.467 177.099 176.870 -0.396 0.000 1.394 631 L CA -0.290 54.416 54.840 -0.224 0.000 0.906 631 L CB 1.783 43.675 42.059 -0.278 0.000 1.170 631 L HN -0.013 nan 8.230 nan 0.000 0.501 632 S N 0.735 116.258 115.700 -0.295 0.000 2.419 632 S HA -0.205 4.265 4.470 -0.000 0.000 0.235 632 S C 1.722 176.244 174.600 -0.131 0.000 1.019 632 S CA 1.578 59.632 58.200 -0.243 0.000 0.982 632 S CB -0.246 62.921 63.200 -0.055 0.000 0.789 632 S HN 0.730 nan 8.310 nan 0.000 0.490 633 F N 1.044 120.820 119.950 -0.290 0.000 2.408 633 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 633 F C 1.796 177.621 175.800 0.041 0.000 1.090 633 F CA 0.658 58.487 58.000 -0.284 0.000 1.427 633 F CB -0.840 37.839 39.000 -0.535 0.000 1.070 633 F HN 0.077 nan 8.300 nan 0.000 0.549 634 M N 0.303 119.413 119.600 -0.816 0.000 2.460 634 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 634 M C 0.815 177.007 176.300 -0.180 0.000 1.071 634 M CA 1.520 56.458 55.300 -0.603 0.000 1.096 634 M CB -0.393 31.815 32.600 -0.654 0.000 1.408 634 M HN 0.170 nan 8.290 nan 0.000 0.463 635 D N 0.082 120.431 120.400 -0.086 0.000 2.433 635 D HA 0.101 4.741 4.640 -0.000 0.000 0.211 635 D C -0.230 176.107 176.300 0.060 0.000 1.114 635 D CA 0.330 54.319 54.000 -0.018 0.000 0.837 635 D CB 0.668 41.405 40.800 -0.104 0.000 0.984 635 D HN -0.054 nan 8.370 nan 0.000 0.505 636 K N 0.217 120.710 120.400 0.155 0.000 2.426 636 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 636 K C -0.003 176.718 176.600 0.202 0.000 0.941 636 K CA -0.492 55.813 56.287 0.031 0.000 0.808 636 K CB 1.908 34.157 32.500 -0.418 0.000 1.265 636 K HN -0.196 nan 8.250 nan 0.000 0.432 637 Q N 0.277 120.162 119.800 0.141 0.000 2.402 637 Q HA 0.144 4.484 4.340 -0.000 0.000 0.206 637 Q C -0.080 176.071 176.000 0.251 0.000 0.919 637 Q CA 0.336 56.284 55.803 0.241 0.000 0.923 637 Q CB 0.288 29.174 28.738 0.247 0.000 1.048 637 Q HN 0.356 nan 8.270 nan 0.000 0.515 638 L N -0.354 120.940 121.223 0.119 0.000 2.408 638 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 638 L C -2.042 174.818 176.870 -0.017 0.000 0.986 638 L CA -0.498 54.432 54.840 0.151 0.000 0.820 638 L CB 1.270 43.387 42.059 0.096 0.000 1.303 638 L HN -0.010 nan 8.230 nan 0.000 0.411 639 W N 3.955 125.383 121.300 0.213 0.000 3.032 639 W HA 0.792 5.452 4.660 -0.000 0.000 0.335 639 W C -1.304 175.407 176.519 0.321 0.000 1.154 639 W CA -0.755 56.714 57.345 0.206 0.000 1.204 639 W CB 2.250 31.779 29.460 0.115 0.000 1.416 639 W HN 0.298 nan 8.180 nan 0.000 0.521 640 V N 2.185 122.389 119.914 0.484 0.000 2.668 640 V HA 0.727 4.847 4.120 -0.000 0.000 0.304 640 V C -0.312 176.016 176.094 0.389 0.000 1.071 640 V CA -0.881 61.676 62.300 0.429 0.000 0.894 640 V CB 1.485 33.465 31.823 0.263 0.000 1.008 640 V HN 0.586 nan 8.190 nan 0.000 0.425 641 T N 1.298 116.121 114.554 0.448 0.000 2.916 641 T HA 0.675 5.025 4.350 -0.000 0.000 0.292 641 T C -0.349 174.525 174.700 0.291 0.000 1.064 641 T CA -1.061 61.253 62.100 0.358 0.000 1.011 641 T CB 1.781 70.894 68.868 0.408 0.000 1.152 641 T HN 0.510 nan 8.240 nan 0.000 0.510 642 R N 0.632 121.263 120.500 0.219 0.000 2.537 642 R HA 0.170 4.510 4.340 -0.000 0.000 0.280 642 R C -0.412 176.005 176.300 0.194 0.000 1.058 642 R CA -0.555 55.657 56.100 0.188 0.000 1.057 642 R CB 0.098 30.482 30.300 0.139 0.000 0.973 642 R HN 0.688 nan 8.270 nan 0.000 0.438 643 Y N 3.808 124.169 120.300 0.103 0.000 2.810 643 Y HA -0.133 4.417 4.550 -0.000 0.000 0.332 643 Y C -0.409 175.544 175.900 0.087 0.000 1.243 643 Y CA 0.842 58.988 58.100 0.077 0.000 1.537 643 Y CB 0.090 38.568 38.460 0.030 0.000 1.265 643 Y HN 0.443 nan 8.280 nan 0.000 0.572 644 H N 7.984 126.521 119.070 -0.889 0.000 2.966 644 H HA 0.288 4.844 4.556 -0.000 0.000 0.347 644 H C -2.403 172.420 175.328 -0.841 0.000 1.048 644 H CA -2.401 53.188 56.048 -0.766 0.000 1.295 644 H CB 2.371 31.902 29.762 -0.385 0.000 1.744 644 H HN 0.392 nan 8.280 nan 0.000 0.513 645 P HA -0.006 nan 4.420 nan 0.000 0.219 645 P C 1.050 178.291 177.300 -0.098 0.000 1.146 645 P CA 1.499 64.490 63.100 -0.181 0.000 0.808 645 P CB 0.275 31.956 31.700 -0.033 0.000 0.779 646 G N -0.741 108.028 108.800 -0.053 0.000 3.523 646 G HA2 0.041 4.001 3.960 -0.000 0.000 0.270 646 G HA3 0.041 4.001 3.960 -0.000 0.000 0.270 646 G C -0.057 174.561 174.900 -0.469 0.000 1.134 646 G CA -0.117 44.849 45.100 -0.223 0.000 0.825 646 G HN 0.218 nan 8.290 nan 0.000 0.534 647 E N 0.499 120.340 120.200 -0.599 0.000 2.121 647 E HA 0.339 4.689 4.350 -0.000 0.000 0.255 647 E C 0.331 176.644 176.600 -0.477 0.000 0.906 647 E CA -0.393 55.458 56.400 -0.916 0.000 0.745 647 E CB 1.138 30.060 29.700 -1.297 0.000 1.155 647 E HN 0.190 nan 8.360 nan 0.000 0.424 648 R N 1.460 121.684 120.500 -0.460 0.000 2.517 648 R HA 0.201 4.541 4.340 -0.000 0.000 0.265 648 R C -0.390 175.628 176.300 -0.470 0.000 0.921 648 R CA 0.135 55.853 56.100 -0.636 0.000 1.054 648 R CB 0.866 30.420 30.300 -1.242 0.000 1.340 648 R HN 0.220 nan 8.270 nan 0.000 0.551 649 F N 1.543 121.712 119.950 0.365 0.000 2.536 649 F HA 0.362 4.889 4.527 -0.000 0.000 0.322 649 F C -1.721 174.026 175.800 -0.088 0.000 1.144 649 F CA -2.951 55.126 58.000 0.128 0.000 0.924 649 F CB 1.653 40.632 39.000 -0.036 0.000 1.181 649 F HN -0.260 nan 8.300 nan 0.000 0.438 650 P HA -0.187 nan 4.420 nan 0.000 0.220 650 P C 0.771 177.670 177.300 -0.668 0.000 1.148 650 P CA 1.592 64.277 63.100 -0.691 0.000 0.803 650 P CB 0.302 31.428 31.700 -0.957 0.000 0.782 651 E N 0.270 120.185 120.200 -0.476 0.000 2.474 651 E HA 0.198 4.548 4.350 -0.000 0.000 0.195 651 E C 0.723 177.215 176.600 -0.180 0.000 1.039 651 E CA 0.393 56.653 56.400 -0.232 0.000 0.881 651 E CB -0.342 29.286 29.700 -0.119 0.000 0.970 651 E HN 0.146 nan 8.360 nan 0.000 0.486 652 G N 1.971 110.674 108.800 -0.162 0.000 2.692 652 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.686 652 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.686 652 G C 0.089 174.969 174.900 -0.033 0.000 1.243 652 G CA -0.063 44.976 45.100 -0.101 0.000 0.782 652 G HN 0.145 nan 8.290 nan 0.000 0.625 653 K N -0.506 119.897 120.400 0.006 0.000 2.063 653 K HA -0.041 4.279 4.320 -0.000 0.000 0.208 653 K C 0.458 176.688 176.600 -0.617 0.000 1.048 653 K CA 1.677 57.802 56.287 -0.270 0.000 0.928 653 K CB -0.123 32.204 32.500 -0.290 0.000 0.713 653 K HN 0.507 nan 8.250 nan 0.000 0.442 654 Y N 0.226 120.478 120.300 -0.081 0.000 2.747 654 Y HA 0.253 4.803 4.550 -0.000 0.000 0.362 654 Y C -2.044 173.791 175.900 -0.108 0.000 1.026 654 Y CA -2.333 55.711 58.100 -0.093 0.000 1.135 654 Y CB 1.352 39.778 38.460 -0.058 0.000 1.175 654 Y HN 0.160 nan 8.280 nan 0.000 0.643 655 P HA -0.024 nan 4.420 nan 0.000 0.249 655 P C 0.031 177.293 177.300 -0.063 0.000 1.229 655 P CA 0.321 63.382 63.100 -0.065 0.000 0.788 655 P CB 0.399 32.052 31.700 -0.078 0.000 1.072 656 N N 1.930 120.604 118.700 -0.043 0.000 2.452 656 N HA 0.006 4.746 4.740 -0.000 0.000 0.266 656 N C 0.396 175.791 175.510 -0.191 0.000 1.175 656 N CA 0.076 53.070 53.050 -0.094 0.000 0.945 656 N CB -0.279 38.170 38.487 -0.065 0.000 1.063 656 N HN -0.111 nan 8.380 nan 0.000 0.472 657 R N 0.452 120.821 120.500 -0.218 0.000 3.610 657 R HA -0.196 4.144 4.340 -0.000 0.000 0.274 657 R C -0.182 175.961 176.300 -0.261 0.000 1.123 657 R CA 0.837 56.781 56.100 -0.260 0.000 0.747 657 R CB -2.633 27.340 30.300 -0.545 0.000 1.149 657 R HN 0.742 nan 8.270 nan 0.000 0.471 658 S N -0.704 114.878 115.700 -0.197 0.000 2.563 658 S HA 0.084 4.554 4.470 -0.000 0.000 0.284 658 S C 1.552 175.910 174.600 -0.402 0.000 1.331 658 S CA 0.176 58.231 58.200 -0.241 0.000 1.047 658 S CB 1.533 64.613 63.200 -0.200 0.000 0.859 658 S HN 0.381 nan 8.310 nan 0.000 0.514 659 T N -2.465 111.814 114.554 -0.458 0.000 2.990 659 T HA 0.174 4.524 4.350 -0.000 0.000 0.249 659 T C 0.616 175.379 174.700 0.104 0.000 1.039 659 T CA 0.374 62.062 62.100 -0.687 0.000 1.036 659 T CB -0.427 68.040 68.868 -0.668 0.000 0.994 659 T HN 0.963 nan 8.240 nan 0.000 0.489 660 H N -0.879 118.188 119.070 -0.004 0.000 2.943 660 H HA 0.546 5.102 4.556 -0.000 0.000 0.323 660 H C -1.771 173.546 175.328 -0.019 0.000 1.296 660 H CA -0.924 55.188 56.048 0.107 0.000 1.155 660 H CB 0.714 30.538 29.762 0.103 0.000 1.882 660 H HN 0.007 nan 8.280 nan 0.000 0.553 661 D N 1.167 121.506 120.400 -0.103 0.000 2.365 661 D HA 0.085 4.725 4.640 -0.000 0.000 0.237 661 D C 0.638 176.782 176.300 -0.260 0.000 1.190 661 D CA -0.016 53.853 54.000 -0.219 0.000 0.867 661 D CB 0.807 41.465 40.800 -0.236 0.000 1.050 661 D HN 0.649 nan 8.370 nan 0.000 0.491 662 T N 0.343 114.696 114.554 -0.334 0.000 3.092 662 T HA 0.358 4.708 4.350 -0.000 0.000 0.258 662 T C 1.012 175.443 174.700 -0.449 0.000 1.031 662 T CA -0.121 61.802 62.100 -0.296 0.000 0.925 662 T CB 0.723 69.459 68.868 -0.221 0.000 1.036 662 T HN 0.249 nan 8.240 nan 0.000 0.544 663 G N 1.351 109.788 108.800 -0.606 0.000 3.434 663 G HA2 0.450 4.410 3.960 -0.000 0.000 0.192 663 G HA3 0.450 4.410 3.960 -0.000 0.000 0.192 663 G C 0.843 174.839 174.900 -1.507 0.000 1.704 663 G CA -0.600 43.871 45.100 -1.047 0.000 0.936 663 G HN 0.290 nan 8.290 nan 0.000 0.623 664 L N 0.963 121.471 121.223 -1.192 0.000 2.127 664 L HA -0.031 4.309 4.340 -0.000 0.000 0.211 664 L C 3.047 179.493 176.870 -0.706 0.000 1.089 664 L CA 1.127 55.268 54.840 -1.166 0.000 0.757 664 L CB -0.470 40.626 42.059 -1.606 0.000 0.899 664 L HN 0.558 nan 8.230 nan 0.000 0.434 665 G N -1.054 107.434 108.800 -0.520 0.000 2.421 665 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.216 665 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.216 665 G C 1.464 176.262 174.900 -0.169 0.000 1.171 665 G CA 0.714 45.683 45.100 -0.218 0.000 0.775 665 G HN 0.409 nan 8.290 nan 0.000 0.543 666 Q N -0.897 118.737 119.800 -0.277 0.000 2.119 666 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 666 Q C 2.251 178.231 176.000 -0.032 0.000 0.972 666 Q CA 1.080 56.798 55.803 -0.141 0.000 0.847 666 Q CB -0.181 28.460 28.738 -0.162 0.000 0.903 666 Q HN 0.566 nan 8.270 nan 0.000 0.433 667 Y N 0.208 120.420 120.300 -0.147 0.000 2.439 667 Y HA -0.034 4.516 4.550 -0.000 0.000 0.292 667 Y C 2.357 178.240 175.900 -0.028 0.000 1.130 667 Y CA 1.054 59.081 58.100 -0.121 0.000 1.254 667 Y CB -0.312 38.014 38.460 -0.225 0.000 1.000 667 Y HN 0.237 nan 8.280 nan 0.000 0.554 668 S N -1.349 114.426 115.700 0.125 0.000 2.557 668 S HA 0.112 4.582 4.470 -0.000 0.000 0.223 668 S C 1.634 176.306 174.600 0.120 0.000 0.969 668 S CA -0.333 57.962 58.200 0.159 0.000 0.927 668 S CB 0.092 63.440 63.200 0.245 0.000 0.806 668 S HN 0.265 nan 8.310 nan 0.000 0.489 669 K N 1.897 122.351 120.400 0.090 0.000 2.057 669 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 669 K C 0.731 177.374 176.600 0.071 0.000 1.049 669 K CA 1.825 58.154 56.287 0.070 0.000 0.931 669 K CB -0.104 32.429 32.500 0.055 0.000 0.714 669 K HN 0.265 nan 8.250 nan 0.000 0.440 670 D N 0.368 120.816 120.400 0.079 0.000 2.349 670 D HA -0.084 4.556 4.640 -0.000 0.000 0.224 670 D C -0.135 176.208 176.300 0.072 0.000 1.029 670 D CA 0.345 54.388 54.000 0.071 0.000 0.879 670 D CB -0.228 40.616 40.800 0.073 0.000 0.906 670 D HN 0.206 nan 8.370 nan 0.000 0.528 671 N N 1.939 120.688 118.700 0.082 0.000 2.696 671 N HA -0.197 4.543 4.740 -0.000 0.000 0.256 671 N C -0.612 174.944 175.510 0.077 0.000 1.031 671 N CA 0.444 53.542 53.050 0.079 0.000 0.730 671 N CB -0.789 37.736 38.487 0.063 0.000 0.894 671 N HN 0.373 nan 8.380 nan 0.000 0.544 672 E N -0.622 119.630 120.200 0.088 0.000 2.385 672 E HA 0.274 4.624 4.350 -0.000 0.000 0.254 672 E C 0.304 176.953 176.600 0.082 0.000 1.228 672 E CA -0.596 55.853 56.400 0.081 0.000 0.956 672 E CB 0.408 30.160 29.700 0.085 0.000 1.116 672 E HN 0.332 nan 8.360 nan 0.000 0.507 673 S N 0.138 115.882 115.700 0.073 0.000 2.565 673 S HA 0.131 4.601 4.470 -0.000 0.000 0.276 673 S C 0.191 174.840 174.600 0.081 0.000 1.326 673 S CA -0.483 57.759 58.200 0.070 0.000 1.045 673 S CB 0.109 63.344 63.200 0.058 0.000 0.918 673 S HN 0.435 nan 8.310 nan 0.000 0.505 674 L N 3.338 124.610 121.223 0.081 0.000 3.110 674 L HA 0.363 4.703 4.340 -0.000 0.000 0.266 674 L C -0.196 176.718 176.870 0.073 0.000 1.257 674 L CA -0.205 54.688 54.840 0.089 0.000 1.038 674 L CB 0.215 42.334 42.059 0.100 0.000 1.395 674 L HN 0.599 nan 8.230 nan 0.000 0.566 675 D N 0.682 121.119 120.400 0.062 0.000 2.317 675 D HA 0.112 4.752 4.640 -0.000 0.000 0.234 675 D C 0.527 176.855 176.300 0.047 0.000 1.112 675 D CA -0.180 53.850 54.000 0.051 0.000 0.840 675 D CB 0.528 41.355 40.800 0.045 0.000 1.078 675 D HN 0.030 nan 8.370 nan 0.000 0.486 676 N N 2.462 121.189 118.700 0.044 0.000 2.671 676 N HA -0.225 4.515 4.740 -0.000 0.000 0.261 676 N C -1.573 173.961 175.510 0.040 0.000 1.053 676 N CA 1.289 54.361 53.050 0.037 0.000 0.732 676 N CB -0.899 37.605 38.487 0.028 0.000 0.887 676 N HN 0.469 nan 8.380 nan 0.000 0.546 677 T N -0.595 113.990 114.554 0.051 0.000 2.739 677 T HA 0.221 4.571 4.350 -0.000 0.000 0.303 677 T C -1.835 172.908 174.700 0.072 0.000 1.389 677 T CA -0.654 61.480 62.100 0.058 0.000 1.001 677 T CB 1.069 69.977 68.868 0.066 0.000 1.436 677 T HN 0.155 nan 8.240 nan 0.000 0.500 678 D N 1.543 121.992 120.400 0.083 0.000 2.342 678 D HA 0.501 5.141 4.640 -0.000 0.000 0.260 678 D C -0.163 176.229 176.300 0.153 0.000 1.278 678 D CA 0.098 54.157 54.000 0.098 0.000 0.910 678 D CB 0.491 41.348 40.800 0.095 0.000 1.079 678 D HN 0.736 nan 8.370 nan 0.000 0.496 679 A N 3.219 126.122 122.820 0.139 0.000 2.320 679 A HA 0.648 4.967 4.320 -0.000 0.000 0.334 679 A C -0.728 176.960 177.584 0.174 0.000 1.147 679 A CA -0.666 51.472 52.037 0.168 0.000 0.820 679 A CB 1.518 20.605 19.000 0.145 0.000 1.218 679 A HN 0.359 nan 8.150 nan 0.000 0.482 680 V N 1.985 122.021 119.914 0.203 0.000 2.444 680 V HA 0.380 4.500 4.120 -0.000 0.000 0.294 680 V C -0.378 175.787 176.094 0.118 0.000 1.022 680 V CA -0.507 61.855 62.300 0.103 0.000 0.850 680 V CB 1.466 33.334 31.823 0.075 0.000 0.992 680 V HN 0.659 nan 8.190 nan 0.000 0.426 681 V N 4.299 124.222 119.914 0.015 0.000 2.481 681 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 681 V C -0.938 175.184 176.094 0.046 0.000 1.042 681 V CA -0.454 61.931 62.300 0.142 0.000 0.928 681 V CB 1.625 33.511 31.823 0.104 0.000 0.986 681 V HN 0.899 nan 8.190 nan 0.000 0.462 682 W N 4.595 126.032 121.300 0.228 0.000 2.656 682 W HA 0.734 5.394 4.660 -0.000 0.000 0.327 682 W C -0.295 176.402 176.519 0.296 0.000 1.041 682 W CA -0.683 56.799 57.345 0.228 0.000 1.229 682 W CB 1.315 30.874 29.460 0.165 0.000 1.397 682 W HN 0.253 nan 8.180 nan 0.000 0.479 683 M N 3.048 122.926 119.600 0.464 0.000 2.181 683 M HA 0.407 4.886 4.480 -0.000 0.000 0.323 683 M C -0.406 176.156 176.300 0.438 0.000 1.004 683 M CA -0.338 55.202 55.300 0.400 0.000 0.941 683 M CB 1.860 34.635 32.600 0.291 0.000 1.579 683 M HN 0.255 nan 8.290 nan 0.000 0.427 684 T N 1.599 116.412 114.554 0.432 0.000 2.771 684 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 684 T C -0.324 174.586 174.700 0.350 0.000 0.982 684 T CA -0.345 61.998 62.100 0.406 0.000 0.978 684 T CB 1.366 70.506 68.868 0.454 0.000 0.930 684 T HN 0.648 nan 8.240 nan 0.000 0.447 685 T N 2.043 116.820 114.554 0.370 0.000 2.886 685 T HA 0.757 5.106 4.350 -0.000 0.000 0.292 685 T C -0.329 174.578 174.700 0.346 0.000 1.012 685 T CA -0.415 61.904 62.100 0.365 0.000 0.982 685 T CB 1.132 70.257 68.868 0.428 0.000 1.018 685 T HN 0.786 nan 8.240 nan 0.000 0.451 686 G N 1.691 110.639 108.800 0.247 0.000 2.672 686 G HA2 0.703 4.663 3.960 -0.000 0.000 0.292 686 G HA3 0.703 4.663 3.960 -0.000 0.000 0.292 686 G C -0.654 174.341 174.900 0.159 0.000 1.375 686 G CA -0.545 44.658 45.100 0.172 0.000 0.890 686 G HN 0.947 nan 8.290 nan 0.000 0.476 687 T N -2.455 112.192 114.554 0.154 0.000 2.924 687 T HA 0.728 5.078 4.350 -0.000 0.000 0.291 687 T C -0.548 174.185 174.700 0.055 0.000 1.045 687 T CA -0.660 61.525 62.100 0.141 0.000 1.015 687 T CB 2.077 71.087 68.868 0.236 0.000 1.103 687 T HN 0.394 nan 8.240 nan 0.000 0.496 688 T N 1.813 116.364 114.554 -0.005 0.000 2.772 688 T HA 0.324 4.674 4.350 -0.000 0.000 0.288 688 T C -0.782 173.828 174.700 -0.150 0.000 0.994 688 T CA -0.440 61.607 62.100 -0.087 0.000 0.951 688 T CB 0.084 68.903 68.868 -0.082 0.000 0.933 688 T HN 0.792 nan 8.240 nan 0.000 0.447 689 H N 3.674 122.483 119.070 -0.435 0.000 2.685 689 H HA 0.520 5.076 4.556 -0.000 0.000 0.286 689 H C -0.845 174.207 175.328 -0.461 0.000 1.102 689 H CA -0.713 54.985 56.048 -0.584 0.000 1.254 689 H CB 0.377 29.760 29.762 -0.631 0.000 1.397 689 H HN 0.285 nan 8.280 nan 0.000 0.473 690 V N 4.909 124.740 119.914 -0.140 0.000 2.370 690 V HA 0.366 4.486 4.120 -0.000 0.000 0.279 690 V C 0.558 176.632 176.094 -0.033 0.000 1.029 690 V CA -0.583 61.639 62.300 -0.130 0.000 0.870 690 V CB 0.850 32.616 31.823 -0.095 0.000 0.984 690 V HN 0.881 nan 8.190 nan 0.000 0.451 691 A N 6.480 129.234 122.820 -0.109 0.000 2.313 691 A HA 0.873 5.193 4.320 -0.000 0.000 0.261 691 A C 0.256 177.867 177.584 0.046 0.000 1.090 691 A CA -0.418 51.617 52.037 -0.005 0.000 0.807 691 A CB 0.581 19.520 19.000 -0.102 0.000 1.055 691 A HN 0.994 nan 8.150 nan 0.000 0.492 692 R N -0.732 119.832 120.500 0.106 0.000 2.739 692 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 692 R C 0.337 176.695 176.300 0.097 0.000 1.010 692 R CA -0.126 56.019 56.100 0.076 0.000 0.897 692 R CB 1.187 31.535 30.300 0.080 0.000 1.236 692 R HN 0.733 nan 8.270 nan 0.000 0.466 693 A N 1.137 123.999 122.820 0.070 0.000 2.024 693 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 693 A C 1.422 179.087 177.584 0.137 0.000 1.164 693 A CA 1.772 53.866 52.037 0.096 0.000 0.643 693 A CB -0.588 18.443 19.000 0.053 0.000 0.806 693 A HN 0.848 nan 8.150 nan 0.000 0.451 694 E N 0.195 120.460 120.200 0.107 0.000 2.401 694 E HA -0.132 4.218 4.350 -0.000 0.000 0.199 694 E C 1.073 177.738 176.600 0.108 0.000 1.023 694 E CA 1.170 57.626 56.400 0.093 0.000 0.859 694 E CB -0.117 29.627 29.700 0.074 0.000 0.780 694 E HN 0.795 nan 8.360 nan 0.000 0.523 695 E N -0.936 119.364 120.200 0.166 0.000 2.499 695 E HA 0.064 4.414 4.350 -0.000 0.000 0.199 695 E C -0.514 176.237 176.600 0.251 0.000 1.016 695 E CA -0.288 56.221 56.400 0.180 0.000 0.933 695 E CB 0.473 30.322 29.700 0.249 0.000 1.050 695 E HN 0.174 nan 8.360 nan 0.000 0.462 696 W N 2.030 123.339 121.300 0.015 0.000 2.957 696 W HA 0.256 4.916 4.660 -0.000 0.000 0.336 696 W C -2.414 174.113 176.519 0.013 0.000 1.087 696 W CA -2.042 55.308 57.345 0.008 0.000 1.235 696 W CB 1.807 31.271 29.460 0.006 0.000 1.399 696 W HN -0.106 nan 8.180 nan 0.000 0.480 697 P HA 0.125 nan 4.420 nan 0.000 0.245 697 P C 0.011 176.936 177.300 -0.625 0.000 1.206 697 P CA 0.701 63.071 63.100 -1.218 0.000 0.781 697 P CB 1.504 32.689 31.700 -0.858 0.000 0.994 698 I N -0.236 120.155 120.570 -0.298 0.000 2.647 698 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 698 I C -0.722 175.313 176.117 -0.136 0.000 1.078 698 I CA -1.769 59.381 61.300 -0.251 0.000 1.048 698 I CB 2.767 40.620 38.000 -0.246 0.000 1.239 698 I HN -0.280 nan 8.210 nan 0.000 0.421 699 M N 9.388 128.902 119.600 -0.143 0.000 2.108 699 M HA 0.503 4.983 4.480 -0.000 0.000 0.354 699 M C -2.442 173.781 176.300 -0.129 0.000 1.229 699 M CA -1.451 53.802 55.300 -0.079 0.000 1.081 699 M CB 1.037 33.612 32.600 -0.042 0.000 1.606 699 M HN 0.225 nan 8.290 nan 0.000 0.467 700 P HA 0.016 nan 4.420 nan 0.000 0.264 700 P C -0.894 176.299 177.300 -0.178 0.000 1.193 700 P CA 0.270 63.306 63.100 -0.106 0.000 0.763 700 P CB 0.343 32.007 31.700 -0.060 0.000 0.810 701 T N 4.354 118.789 114.554 -0.198 0.000 2.871 701 T HA 0.040 4.390 4.350 -0.000 0.000 0.296 701 T C 0.301 174.769 174.700 -0.387 0.000 0.998 701 T CA 0.152 62.044 62.100 -0.347 0.000 1.162 701 T CB -0.071 68.602 68.868 -0.327 0.000 0.947 701 T HN 0.331 nan 8.240 nan 0.000 0.536 702 E N 2.318 122.196 120.200 -0.536 0.000 2.191 702 E HA 0.335 4.685 4.350 -0.000 0.000 0.274 702 E C -0.851 175.428 176.600 -0.536 0.000 0.948 702 E CA -0.488 55.616 56.400 -0.493 0.000 0.802 702 E CB 1.681 30.942 29.700 -0.733 0.000 1.137 702 E HN 0.604 nan 8.360 nan 0.000 0.397 703 W N 1.176 122.322 121.300 -0.257 0.000 2.761 703 W HA 0.433 5.093 4.660 0.000 0.000 0.340 703 W C -0.330 175.953 176.519 -0.393 0.000 1.072 703 W CA -0.792 56.361 57.345 -0.321 0.000 1.215 703 W CB 1.635 30.916 29.460 -0.299 0.000 1.420 703 W HN 0.234 nan 8.180 nan 0.000 0.519 704 V N -0.321 119.479 119.914 -0.190 0.000 2.769 704 V HA 0.627 4.747 4.120 -0.000 0.000 0.312 704 V C -0.758 175.059 176.094 -0.461 0.000 1.061 704 V CA -0.857 61.301 62.300 -0.236 0.000 0.931 704 V CB 1.793 33.665 31.823 0.081 0.000 1.010 704 V HN 0.609 nan 8.190 nan 0.000 0.433 705 H N 2.290 121.382 119.070 0.036 0.000 2.637 705 H HA 0.805 5.361 4.556 -0.000 0.000 0.363 705 H C -0.230 175.051 175.328 -0.079 0.000 1.131 705 H CA 0.069 56.081 56.048 -0.059 0.000 1.183 705 H CB 2.278 31.974 29.762 -0.110 0.000 1.637 705 H HN 1.069 nan 8.280 nan 0.000 0.531 706 T N 0.001 114.544 114.554 -0.019 0.000 2.883 706 T HA 0.657 5.007 4.350 -0.000 0.000 0.296 706 T C -1.036 173.584 174.700 -0.133 0.000 1.117 706 T CA -0.836 61.218 62.100 -0.077 0.000 1.006 706 T CB 2.007 70.802 68.868 -0.121 0.000 1.191 706 T HN 0.233 nan 8.240 nan 0.000 0.508 707 L N 0.487 121.634 121.223 -0.127 0.000 2.505 707 L HA 0.663 5.003 4.340 -0.000 0.000 0.259 707 L C -1.680 175.141 176.870 -0.082 0.000 0.952 707 L CA -0.744 54.022 54.840 -0.123 0.000 0.840 707 L CB 2.288 44.290 42.059 -0.095 0.000 1.358 707 L HN 0.812 nan 8.230 nan 0.000 0.409 708 L N 3.638 124.831 121.223 -0.050 0.000 2.372 708 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 708 L C -0.676 176.303 176.870 0.182 0.000 0.989 708 L CA -0.653 54.246 54.840 0.099 0.000 0.841 708 L CB 1.466 43.577 42.059 0.087 0.000 1.225 708 L HN 0.468 nan 8.230 nan 0.000 0.414 709 K N 4.375 124.835 120.400 0.100 0.000 2.244 709 K HA 0.495 4.815 4.320 -0.000 0.000 0.260 709 K C -2.576 173.758 176.600 -0.444 0.000 0.951 709 K CA -1.864 54.375 56.287 -0.080 0.000 0.826 709 K CB 2.033 34.526 32.500 -0.012 0.000 1.108 709 K HN 0.210 nan 8.250 nan 0.000 0.433 710 P HA -0.073 nan 4.420 nan 0.000 0.268 710 P C -0.947 176.186 177.300 -0.279 0.000 1.204 710 P CA -0.047 62.458 63.100 -0.992 0.000 0.768 710 P CB 0.565 31.925 31.700 -0.566 0.000 0.842 711 W N 5.439 126.556 121.300 -0.304 0.000 2.466 711 W HA 0.154 4.814 4.660 0.000 0.000 0.303 711 W C -0.387 176.110 176.519 -0.037 0.000 0.999 711 W CA -0.328 56.951 57.345 -0.111 0.000 1.437 711 W CB -0.024 29.392 29.460 -0.073 0.000 1.274 711 W HN 0.538 nan 8.180 nan 0.000 0.417 712 N N 3.355 121.966 118.700 -0.148 0.000 2.741 712 N HA -0.328 4.412 4.740 -0.000 0.000 0.251 712 N C 0.410 175.932 175.510 0.020 0.000 1.112 712 N CA 1.555 54.577 53.050 -0.047 0.000 0.750 712 N CB -1.992 36.504 38.487 0.014 0.000 1.119 712 N HN 0.538 nan 8.380 nan 0.000 0.561 713 F N -0.203 119.632 119.950 -0.192 0.000 2.259 713 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 713 F C 0.870 176.368 175.800 -0.504 0.000 1.088 713 F CA 0.971 58.747 58.000 -0.374 0.000 1.358 713 F CB 0.195 38.856 39.000 -0.565 0.000 1.040 713 F HN -0.011 nan 8.300 nan 0.000 0.505 714 F N -0.334 119.640 119.950 0.041 0.000 2.611 714 F HA 0.289 4.816 4.527 -0.000 0.000 0.374 714 F C 1.053 176.812 175.800 -0.070 0.000 1.110 714 F CA -0.836 57.143 58.000 -0.034 0.000 1.090 714 F CB 0.259 39.231 39.000 -0.046 0.000 1.388 714 F HN -0.363 nan 8.300 nan 0.000 0.501 715 D N -0.705 119.790 120.400 0.158 0.000 2.469 715 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 715 D C -0.371 175.936 176.300 0.010 0.000 1.135 715 D CA 0.441 54.465 54.000 0.040 0.000 0.834 715 D CB 0.616 41.428 40.800 0.020 0.000 1.009 715 D HN 0.698 nan 8.370 nan 0.000 0.507 716 E N -1.621 118.591 120.200 0.020 0.000 2.417 716 E HA 0.177 4.527 4.350 -0.000 0.000 0.280 716 E C -1.174 175.380 176.600 -0.077 0.000 1.112 716 E CA -0.797 55.578 56.400 -0.042 0.000 0.863 716 E CB 0.239 29.910 29.700 -0.049 0.000 1.346 716 E HN -0.276 nan 8.360 nan 0.000 0.443 717 T N 2.756 117.246 114.554 -0.108 0.000 2.656 717 T HA 0.001 4.351 4.350 -0.000 0.000 0.258 717 T C -1.833 172.780 174.700 -0.146 0.000 1.020 717 T CA -0.104 61.923 62.100 -0.123 0.000 1.191 717 T CB -0.105 68.674 68.868 -0.149 0.000 1.004 717 T HN 0.337 nan 8.240 nan 0.000 0.498 718 P HA 0.072 nan 4.420 nan 0.000 0.240 718 P C 1.378 178.570 177.300 -0.180 0.000 1.190 718 P CA 0.353 63.216 63.100 -0.395 0.000 0.781 718 P CB 0.151 31.333 31.700 -0.863 0.000 0.931 719 T N -4.153 110.374 114.554 -0.045 0.000 3.086 719 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 719 T C 1.593 176.351 174.700 0.096 0.000 1.074 719 T CA -0.083 62.039 62.100 0.038 0.000 0.988 719 T CB -0.771 68.154 68.868 0.094 0.000 0.988 719 T HN -0.011 nan 8.240 nan 0.000 0.530 720 L N 1.228 122.494 121.223 0.071 0.000 2.131 720 L HA 0.197 4.537 4.340 -0.000 0.000 0.210 720 L C 1.578 178.472 176.870 0.040 0.000 1.092 720 L CA 1.254 56.137 54.840 0.072 0.000 0.759 720 L CB -0.929 41.125 42.059 -0.009 0.000 0.903 720 L HN 0.740 nan 8.230 nan 0.000 0.435 721 G N -1.593 107.210 108.800 0.006 0.000 2.555 721 G HA2 0.053 4.013 3.960 -0.000 0.000 0.686 721 G HA3 0.053 4.013 3.960 -0.000 0.000 0.686 721 G C -0.500 174.394 174.900 -0.011 0.000 1.275 721 G CA -0.633 44.463 45.100 -0.007 0.000 0.871 721 G HN 0.375 nan 8.290 nan 0.000 0.603 722 A N 0.002 122.814 122.820 -0.013 0.000 2.425 722 A HA 0.646 4.966 4.320 -0.000 0.000 0.242 722 A C 1.002 178.581 177.584 -0.007 0.000 1.077 722 A CA 0.057 52.089 52.037 -0.009 0.000 0.781 722 A CB 0.173 19.167 19.000 -0.010 0.000 1.020 722 A HN 1.351 nan 8.150 nan 0.000 0.494 723 L N 1.612 122.831 121.223 -0.006 0.000 2.456 723 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 723 L C 1.538 178.404 176.870 -0.006 0.000 1.189 723 L CA -0.088 54.748 54.840 -0.007 0.000 0.846 723 L CB 0.515 42.569 42.059 -0.007 0.000 1.111 723 L HN 0.858 nan 8.230 nan 0.000 0.475 724 K N 2.006 122.402 120.400 -0.006 0.000 2.442 724 K HA -0.054 4.266 4.320 -0.000 0.000 0.198 724 K C 0.393 176.989 176.600 -0.006 0.000 1.042 724 K CA 0.932 57.215 56.287 -0.006 0.000 0.958 724 K CB -0.013 32.484 32.500 -0.005 0.000 0.766 724 K HN 0.653 nan 8.250 nan 0.000 0.474 725 K N 0.000 120.396 120.400 -0.006 0.000 2.780 725 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 725 K CA 0.000 nan 56.287 nan 0.000 0.838 725 K CB 0.000 nan 32.500 nan 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543