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 2woh_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 0.000 176.466 176.300 0.277 0.000 1.140 7 M CA 0.000 55.404 55.300 0.174 0.000 0.988 7 M CB 0.000 32.693 32.600 0.154 0.000 1.302 8 V N 2.852 122.959 119.914 0.322 0.000 3.077 8 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 8 V C -2.442 173.521 176.094 -0.219 0.000 1.276 8 V CA -1.212 61.169 62.300 0.135 0.000 0.993 8 V CB 3.366 35.203 31.823 0.022 0.000 1.076 8 V HN 0.703 nan 8.190 nan 0.000 0.434 9 P HA 0.192 nan 4.420 nan 0.000 0.275 9 P C 0.484 177.423 177.300 -0.602 0.000 1.227 9 P CA -0.079 62.319 63.100 -1.171 0.000 0.781 9 P CB 0.949 31.922 31.700 -1.212 0.000 0.906 10 M N 2.802 122.057 119.600 -0.574 0.000 2.062 10 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 10 M C 1.554 177.675 176.300 -0.298 0.000 1.076 10 M CA 1.901 56.946 55.300 -0.425 0.000 1.122 10 M CB -0.741 31.536 32.600 -0.537 0.000 1.312 10 M HN 0.216 nan 8.290 nan 0.000 0.412 11 D N 0.447 120.678 120.400 -0.282 0.000 2.133 11 D HA -0.255 4.385 4.640 -0.000 0.000 0.192 11 D C 1.909 178.129 176.300 -0.133 0.000 1.001 11 D CA 1.980 55.883 54.000 -0.162 0.000 0.844 11 D CB -0.249 40.473 40.800 -0.130 0.000 0.944 11 D HN 0.447 nan 8.370 nan 0.000 0.447 12 K N 0.010 120.303 120.400 -0.178 0.000 2.026 12 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 12 K C 2.044 178.584 176.600 -0.099 0.000 1.048 12 K CA 1.811 58.017 56.287 -0.135 0.000 0.929 12 K CB -0.115 32.282 32.500 -0.171 0.000 0.713 12 K HN -0.021 nan 8.250 nan 0.000 0.439 13 T N 2.094 116.574 114.554 -0.123 0.000 2.674 13 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 13 T C 1.687 176.383 174.700 -0.007 0.000 1.039 13 T CA 1.069 63.127 62.100 -0.070 0.000 1.150 13 T CB -0.187 68.628 68.868 -0.089 0.000 0.864 13 T HN 0.073 nan 8.240 nan 0.000 0.427 14 L N 1.062 122.281 121.223 -0.007 0.000 2.081 14 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 14 L C 2.291 179.205 176.870 0.075 0.000 1.080 14 L CA 1.919 56.804 54.840 0.075 0.000 0.754 14 L CB -0.877 41.221 42.059 0.064 0.000 0.893 14 L HN 0.320 nan 8.230 nan 0.000 0.433 15 K N -0.612 119.797 120.400 0.015 0.000 2.167 15 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 15 K C 1.876 178.473 176.600 -0.006 0.000 1.052 15 K CA 0.582 56.867 56.287 -0.004 0.000 0.956 15 K CB 0.083 32.573 32.500 -0.017 0.000 0.735 15 K HN 0.351 nan 8.250 nan 0.000 0.451 16 E N -0.090 120.116 120.200 0.010 0.000 2.204 16 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 16 E C 1.415 178.046 176.600 0.053 0.000 0.989 16 E CA 0.748 57.158 56.400 0.016 0.000 0.824 16 E CB -0.027 29.681 29.700 0.013 0.000 0.756 16 E HN 0.224 nan 8.360 nan 0.000 0.477 17 F N 0.217 120.105 119.950 -0.103 0.000 2.615 17 F HA 0.154 4.681 4.527 -0.000 0.000 0.297 17 F C 1.406 177.119 175.800 -0.145 0.000 1.124 17 F CA 1.226 59.140 58.000 -0.143 0.000 1.451 17 F CB 0.396 39.267 39.000 -0.216 0.000 1.103 17 F HN 0.038 nan 8.300 nan 0.000 0.569 18 G N 0.371 109.008 108.800 -0.271 0.000 2.159 18 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.227 18 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.227 18 G C 0.294 175.005 174.900 -0.314 0.000 0.986 18 G CA 0.003 44.911 45.100 -0.320 0.000 0.651 18 G HN 0.823 nan 8.290 nan 0.000 0.523 19 A N -0.228 122.437 122.820 -0.259 0.000 2.293 19 A HA 0.676 4.996 4.320 -0.000 0.000 0.302 19 A C -0.062 177.519 177.584 -0.005 0.000 1.119 19 A CA 0.391 52.360 52.037 -0.113 0.000 0.823 19 A CB 0.815 19.812 19.000 -0.005 0.000 1.097 19 A HN 0.579 nan 8.150 nan 0.000 0.491 20 D N 0.690 121.111 120.400 0.035 0.000 2.232 20 D HA 0.444 5.084 4.640 -0.000 0.000 0.242 20 D C -0.863 175.489 176.300 0.087 0.000 1.093 20 D CA -0.017 54.012 54.000 0.047 0.000 0.845 20 D CB 1.099 41.920 40.800 0.035 0.000 1.124 20 D HN 0.184 nan 8.370 nan 0.000 0.467 21 V N 4.595 124.570 119.914 0.102 0.000 2.370 21 V HA 0.355 4.475 4.120 -0.000 0.000 0.283 21 V C -0.161 176.052 176.094 0.197 0.000 1.023 21 V CA -0.666 61.732 62.300 0.163 0.000 0.857 21 V CB 1.193 33.105 31.823 0.148 0.000 0.985 21 V HN 0.561 nan 8.190 nan 0.000 0.443 22 Q N 4.340 124.281 119.800 0.235 0.000 2.337 22 Q HA 0.454 4.794 4.340 -0.000 0.000 0.266 22 Q C -1.160 175.030 176.000 0.316 0.000 1.023 22 Q CA -0.402 55.530 55.803 0.215 0.000 0.829 22 Q CB 2.950 31.754 28.738 0.109 0.000 1.306 22 Q HN 0.853 nan 8.270 nan 0.000 0.449 23 W N 3.396 124.709 121.300 0.022 0.000 2.632 23 W HA 0.387 5.047 4.660 0.000 0.000 0.328 23 W C -1.531 174.907 176.519 -0.134 0.000 1.044 23 W CA -0.562 56.671 57.345 -0.186 0.000 1.225 23 W CB 1.734 31.041 29.460 -0.254 0.000 1.396 23 W HN 0.642 nan 8.180 nan 0.000 0.499 24 D N 3.976 123.743 120.400 -1.054 0.000 2.454 24 D HA 0.083 4.723 4.640 -0.000 0.000 0.247 24 D C 0.345 175.986 176.300 -1.099 0.000 1.129 24 D CA -0.149 53.383 54.000 -0.780 0.000 0.877 24 D CB 1.246 41.800 40.800 -0.409 0.000 1.082 24 D HN 0.506 nan 8.370 nan 0.000 0.537 25 D N 2.091 122.044 120.400 -0.744 0.000 2.178 25 D HA -0.234 4.406 4.640 -0.000 0.000 0.201 25 D C 1.388 177.560 176.300 -0.213 0.000 0.980 25 D CA 0.999 54.768 54.000 -0.387 0.000 0.842 25 D CB 0.047 40.862 40.800 0.025 0.000 0.948 25 D HN 0.494 nan 8.370 nan 0.000 0.472 26 Y N 0.376 120.517 120.300 -0.264 0.000 2.242 26 Y HA 0.003 4.553 4.550 -0.000 0.000 0.291 26 Y C 1.796 177.586 175.900 -0.183 0.000 1.137 26 Y CA 1.646 59.644 58.100 -0.169 0.000 1.181 26 Y CB -0.208 38.174 38.460 -0.130 0.000 0.989 26 Y HN 0.015 nan 8.280 nan 0.000 0.527 27 A N -0.859 121.780 122.820 -0.302 0.000 2.348 27 A HA 0.153 4.473 4.320 -0.000 0.000 0.224 27 A C 0.604 177.975 177.584 -0.355 0.000 1.227 27 A CA 0.157 51.991 52.037 -0.338 0.000 0.885 27 A CB -0.060 18.823 19.000 -0.195 0.000 0.933 27 A HN 0.417 nan 8.150 nan 0.000 0.506 28 Q N -1.493 118.013 119.800 -0.490 0.000 2.435 28 Q HA -0.216 4.124 4.340 -0.000 0.000 0.312 28 Q C -0.681 175.029 176.000 -0.484 0.000 1.333 28 Q CA 0.909 56.410 55.803 -0.504 0.000 0.883 28 Q CB -1.744 26.933 28.738 -0.101 0.000 1.170 28 Q HN 0.605 nan 8.270 nan 0.000 0.443 29 L N -0.431 120.347 121.223 -0.741 0.000 2.386 29 L HA 0.640 4.980 4.340 -0.000 0.000 0.271 29 L C -0.967 175.718 176.870 -0.308 0.000 0.993 29 L CA -0.560 54.090 54.840 -0.316 0.000 0.819 29 L CB 1.232 43.187 42.059 -0.174 0.000 1.294 29 L HN 0.002 nan 8.230 nan 0.000 0.414 30 F N 2.546 122.596 119.950 0.166 0.000 2.404 30 F HA 0.531 5.058 4.527 -0.000 0.000 0.345 30 F C 0.588 176.457 175.800 0.114 0.000 1.110 30 F CA -0.087 58.060 58.000 0.245 0.000 1.130 30 F CB 1.786 40.965 39.000 0.298 0.000 1.129 30 F HN 0.389 nan 8.300 nan 0.000 0.500 31 T N 5.661 120.372 114.554 0.260 0.000 2.772 31 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 31 T C -0.753 173.992 174.700 0.075 0.000 0.994 31 T CA -0.478 61.673 62.100 0.086 0.000 0.951 31 T CB 0.493 69.348 68.868 -0.021 0.000 0.933 31 T HN 0.068 nan 8.240 nan 0.000 0.447 32 L N 4.544 125.788 121.223 0.036 0.000 2.307 32 L HA 0.645 4.985 4.340 -0.000 0.000 0.284 32 L C -0.245 176.628 176.870 0.005 0.000 1.023 32 L CA -0.575 54.335 54.840 0.116 0.000 0.810 32 L CB 1.269 43.496 42.059 0.281 0.000 1.231 32 L HN 0.625 nan 8.230 nan 0.000 0.423 33 I N 3.234 123.849 120.570 0.075 0.000 2.499 33 I HA 0.469 4.639 4.170 -0.000 0.000 0.288 33 I C -0.497 175.724 176.117 0.174 0.000 1.048 33 I CA -0.635 60.701 61.300 0.060 0.000 1.062 33 I CB 2.154 40.131 38.000 -0.038 0.000 1.238 33 I HN 0.481 nan 8.210 nan 0.000 0.426 34 K N 5.984 126.539 120.400 0.258 0.000 2.588 34 K HA 0.272 4.591 4.320 -0.000 0.000 0.250 34 K C -0.835 175.876 176.600 0.185 0.000 0.972 34 K CA -0.386 55.990 56.287 0.148 0.000 0.821 34 K CB 1.244 33.745 32.500 0.003 0.000 1.249 34 K HN 0.706 nan 8.250 nan 0.000 0.442 35 D N 1.951 122.432 120.400 0.136 0.000 3.927 35 D HA -0.266 4.374 4.640 -0.000 0.000 0.142 35 D C 0.996 177.424 176.300 0.212 0.000 0.830 35 D CA 2.302 56.414 54.000 0.186 0.000 1.091 35 D CB -0.960 39.974 40.800 0.224 0.000 0.495 35 D HN 0.783 nan 8.370 nan 0.000 0.489 36 G N 0.511 109.453 108.800 0.238 0.000 2.623 36 G HA2 0.346 4.306 3.960 -0.000 0.000 0.214 36 G HA3 0.346 4.306 3.960 -0.000 0.000 0.214 36 G C 0.445 175.452 174.900 0.177 0.000 1.138 36 G CA 1.061 46.262 45.100 0.169 0.000 0.794 36 G HN 0.668 nan 8.290 nan 0.000 0.535 37 A N -0.065 122.895 122.820 0.234 0.000 2.320 37 A HA 0.598 4.918 4.320 -0.000 0.000 0.287 37 A C -1.473 176.234 177.584 0.205 0.000 1.181 37 A CA -0.484 51.667 52.037 0.191 0.000 0.831 37 A CB 0.371 19.494 19.000 0.204 0.000 1.102 37 A HN 0.278 nan 8.150 nan 0.000 0.513 38 Y N 3.127 123.443 120.300 0.028 0.000 2.376 38 Y HA 0.500 5.050 4.550 -0.000 0.000 0.326 38 Y C -0.781 175.114 175.900 -0.010 0.000 0.970 38 Y CA -0.520 57.602 58.100 0.037 0.000 1.248 38 Y CB 1.392 39.874 38.460 0.037 0.000 1.117 38 Y HN 0.455 nan 8.280 nan 0.000 0.476 39 V N 6.130 126.008 119.914 -0.060 0.000 2.581 39 V HA 0.501 4.621 4.120 -0.000 0.000 0.303 39 V C -0.709 175.407 176.094 0.037 0.000 1.041 39 V CA -1.086 61.192 62.300 -0.037 0.000 0.907 39 V CB 1.882 33.598 31.823 -0.179 0.000 0.994 39 V HN 0.573 nan 8.190 nan 0.000 0.442 40 K N 2.838 123.298 120.400 0.101 0.000 2.413 40 K HA 0.772 5.092 4.320 -0.000 0.000 0.257 40 K C -1.599 175.092 176.600 0.152 0.000 0.946 40 K CA -0.554 55.816 56.287 0.138 0.000 0.823 40 K CB 2.437 35.025 32.500 0.146 0.000 1.109 40 K HN 0.431 nan 8.250 nan 0.000 0.427 41 V N 3.428 123.475 119.914 0.222 0.000 2.808 41 V HA 0.397 4.517 4.120 -0.000 0.000 0.308 41 V C -1.527 174.753 176.094 0.310 0.000 1.099 41 V CA -0.757 61.692 62.300 0.249 0.000 0.920 41 V CB 1.928 33.926 31.823 0.290 0.000 1.014 41 V HN 0.635 nan 8.190 nan 0.000 0.425 42 K N 6.149 126.691 120.400 0.237 0.000 2.123 42 K HA 0.544 4.864 4.320 -0.000 0.000 0.259 42 K C -2.733 174.022 176.600 0.259 0.000 0.960 42 K CA -1.862 54.569 56.287 0.240 0.000 0.872 42 K CB 1.748 34.328 32.500 0.134 0.000 1.079 42 K HN 0.415 nan 8.250 nan 0.000 0.440 43 P HA -0.040 nan 4.420 nan 0.000 0.263 43 P C 0.636 178.026 177.300 0.149 0.000 1.195 43 P CA 0.831 64.075 63.100 0.240 0.000 0.762 43 P CB 0.368 32.227 31.700 0.266 0.000 0.799 44 G N 2.257 111.125 108.800 0.113 0.000 2.184 44 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.264 44 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.264 44 G C 0.474 175.419 174.900 0.075 0.000 0.975 44 G CA 0.064 45.213 45.100 0.080 0.000 0.642 44 G HN 0.860 nan 8.290 nan 0.000 0.536 45 A N -0.263 122.612 122.820 0.092 0.000 2.407 45 A HA 0.657 4.977 4.320 -0.000 0.000 0.248 45 A C 1.118 178.747 177.584 0.076 0.000 1.082 45 A CA 0.894 52.979 52.037 0.080 0.000 0.785 45 A CB 0.361 19.416 19.000 0.091 0.000 1.020 45 A HN 0.463 nan 8.150 nan 0.000 0.489 46 Q N -0.169 119.666 119.800 0.059 0.000 2.424 46 Q HA 0.047 4.387 4.340 -0.000 0.000 0.204 46 Q C 0.488 176.522 176.000 0.056 0.000 0.933 46 Q CA 1.115 56.950 55.803 0.054 0.000 0.929 46 Q CB 0.149 28.911 28.738 0.039 0.000 1.037 46 Q HN 0.948 nan 8.270 nan 0.000 0.511 47 T N -3.583 111.007 114.554 0.060 0.000 2.864 47 T HA 0.842 5.192 4.350 -0.000 0.000 0.289 47 T C -0.791 173.952 174.700 0.071 0.000 1.082 47 T CA -0.656 61.477 62.100 0.055 0.000 1.009 47 T CB 2.202 71.093 68.868 0.038 0.000 1.234 47 T HN 0.031 nan 8.240 nan 0.000 0.526 48 A N 0.421 123.275 122.820 0.057 0.000 2.552 48 A HA 0.831 5.151 4.320 -0.000 0.000 0.288 48 A C -1.524 176.082 177.584 0.037 0.000 1.193 48 A CA -0.987 51.089 52.037 0.065 0.000 0.713 48 A CB 1.314 20.359 19.000 0.075 0.000 1.305 48 A HN 0.806 nan 8.150 nan 0.000 0.424 49 I N 1.170 121.764 120.570 0.041 0.000 2.447 49 I HA 0.430 4.600 4.170 -0.000 0.000 0.287 49 I C -0.971 175.155 176.117 0.015 0.000 1.023 49 I CA -0.502 60.817 61.300 0.032 0.000 1.083 49 I CB 1.204 39.238 38.000 0.057 0.000 1.245 49 I HN 0.257 nan 8.210 nan 0.000 0.434 50 V N 6.608 126.514 119.914 -0.013 0.000 2.378 50 V HA 0.339 4.459 4.120 -0.000 0.000 0.288 50 V C 0.054 176.153 176.094 0.007 0.000 1.016 50 V CA -0.694 61.586 62.300 -0.034 0.000 0.840 50 V CB 1.159 32.923 31.823 -0.099 0.000 0.994 50 V HN 0.823 nan 8.190 nan 0.000 0.431 51 N N 4.408 123.140 118.700 0.053 0.000 2.705 51 N HA -0.217 4.523 4.740 -0.000 0.000 0.255 51 N C 1.206 176.719 175.510 0.004 0.000 1.008 51 N CA 1.619 54.691 53.050 0.035 0.000 0.742 51 N CB -1.110 37.389 38.487 0.021 0.000 0.906 51 N HN 1.459 nan 8.380 nan 0.000 0.541 52 G N -2.142 106.664 108.800 0.010 0.000 2.234 52 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 52 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 52 G C -0.198 174.702 174.900 0.001 0.000 0.987 52 G CA 0.497 45.595 45.100 -0.004 0.000 0.625 52 G HN 0.459 nan 8.290 nan 0.000 0.532 53 Q N 0.839 120.640 119.800 0.001 0.000 2.282 53 Q HA 0.525 4.865 4.340 -0.000 0.000 0.260 53 Q C -2.529 173.470 176.000 -0.001 0.000 0.964 53 Q CA -2.089 53.712 55.803 -0.002 0.000 0.880 53 Q CB 1.989 30.723 28.738 -0.007 0.000 1.286 53 Q HN 0.246 nan 8.270 nan 0.000 0.445 54 P HA 0.238 nan 4.420 nan 0.000 0.271 54 P C -0.845 176.454 177.300 -0.003 0.000 1.218 54 P CA -0.478 62.624 63.100 0.005 0.000 0.780 54 P CB 0.555 32.259 31.700 0.007 0.000 0.901 55 L N 1.688 122.911 121.223 -0.000 0.000 2.482 55 L HA 0.662 5.002 4.340 -0.000 0.000 0.269 55 L C -0.735 176.139 176.870 0.006 0.000 0.967 55 L CA -0.815 54.020 54.840 -0.009 0.000 0.851 55 L CB 1.371 43.410 42.059 -0.034 0.000 1.242 55 L HN 0.432 nan 8.230 nan 0.000 0.404 56 A N 5.479 128.303 122.820 0.007 0.000 2.498 56 A HA 0.549 4.868 4.320 -0.000 0.000 0.239 56 A C -0.629 176.968 177.584 0.022 0.000 1.068 56 A CA 0.086 52.133 52.037 0.017 0.000 0.766 56 A CB -0.038 18.970 19.000 0.013 0.000 1.003 56 A HN 0.744 nan 8.150 nan 0.000 0.497 57 L N 2.327 123.575 121.223 0.041 0.000 2.329 57 L HA 0.265 4.605 4.340 -0.000 0.000 0.279 57 L C 1.282 178.185 176.870 0.056 0.000 1.014 57 L CA -0.511 54.366 54.840 0.062 0.000 0.814 57 L CB 1.701 43.822 42.059 0.103 0.000 1.257 57 L HN 0.967 nan 8.230 nan 0.000 0.424 58 Q N 1.411 121.244 119.800 0.056 0.000 2.020 58 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 58 Q C -0.200 175.833 176.000 0.055 0.000 0.982 58 Q CA 1.140 56.971 55.803 0.047 0.000 0.838 58 Q CB 0.129 28.894 28.738 0.044 0.000 0.899 58 Q HN 0.430 nan 8.270 nan 0.000 0.423 59 V N 2.448 122.408 119.914 0.076 0.000 2.444 59 V HA 0.284 4.404 4.120 -0.000 0.000 0.294 59 V C -2.250 173.897 176.094 0.090 0.000 1.022 59 V CA -1.797 60.546 62.300 0.071 0.000 0.850 59 V CB 1.396 33.260 31.823 0.068 0.000 0.992 59 V HN 0.114 nan 8.190 nan 0.000 0.426 60 P HA 0.232 nan 4.420 nan 0.000 0.273 60 P C -0.488 176.840 177.300 0.047 0.000 1.250 60 P CA -0.292 62.854 63.100 0.076 0.000 0.793 60 P CB 0.518 32.257 31.700 0.065 0.000 1.011 61 V N 1.331 121.266 119.914 0.036 0.000 2.555 61 V HA 0.229 4.349 4.120 -0.000 0.000 0.286 61 V C 0.371 176.489 176.094 0.040 0.000 1.044 61 V CA -0.098 62.188 62.300 -0.023 0.000 1.026 61 V CB 0.826 32.621 31.823 -0.047 0.000 0.981 61 V HN 0.344 nan 8.190 nan 0.000 0.480 62 V N 3.942 123.883 119.914 0.046 0.000 2.540 62 V HA 0.614 4.734 4.120 -0.000 0.000 0.302 62 V C -0.357 175.804 176.094 0.112 0.000 1.035 62 V CA -0.973 61.368 62.300 0.069 0.000 0.873 62 V CB 1.958 33.803 31.823 0.035 0.000 0.992 62 V HN 0.679 nan 8.190 nan 0.000 0.428 63 M N 4.114 123.768 119.600 0.089 0.000 2.077 63 M HA 0.528 5.008 4.480 -0.000 0.000 0.348 63 M C -0.421 175.921 176.300 0.070 0.000 1.252 63 M CA -0.228 55.126 55.300 0.090 0.000 1.096 63 M CB 0.806 33.431 32.600 0.042 0.000 1.568 63 M HN 0.788 nan 8.290 nan 0.000 0.456 64 K N 3.048 123.522 120.400 0.124 0.000 2.425 64 K HA 0.278 4.598 4.320 -0.000 0.000 0.259 64 K C -0.264 176.384 176.600 0.080 0.000 0.978 64 K CA 0.162 56.463 56.287 0.022 0.000 0.883 64 K CB 0.420 32.809 32.500 -0.186 0.000 1.110 64 K HN 0.626 nan 8.250 nan 0.000 0.436 65 D N 3.886 124.307 120.400 0.035 0.000 3.017 65 D HA -0.228 4.412 4.640 -0.000 0.000 0.220 65 D C -0.481 175.840 176.300 0.035 0.000 1.141 65 D CA 1.492 55.514 54.000 0.037 0.000 0.848 65 D CB -1.546 39.286 40.800 0.053 0.000 1.102 65 D HN 0.994 nan 8.370 nan 0.000 0.427 66 N N -1.572 117.139 118.700 0.019 0.000 2.979 66 N HA -0.242 4.498 4.740 -0.000 0.000 0.234 66 N C -0.837 174.632 175.510 -0.067 0.000 0.938 66 N CA 1.416 54.446 53.050 -0.034 0.000 0.961 66 N CB -0.530 37.939 38.487 -0.030 0.000 1.089 66 N HN 0.685 nan 8.380 nan 0.000 0.576 67 K N 0.097 120.505 120.400 0.013 0.000 2.345 67 K HA 0.793 5.113 4.320 -0.000 0.000 0.255 67 K C -0.269 176.344 176.600 0.023 0.000 0.934 67 K CA -0.551 55.717 56.287 -0.033 0.000 0.801 67 K CB 2.157 34.624 32.500 -0.055 0.000 1.137 67 K HN 0.130 nan 8.250 nan 0.000 0.424 68 A N 2.879 125.640 122.820 -0.099 0.000 2.445 68 A HA 0.346 4.666 4.320 -0.000 0.000 0.242 68 A C -1.279 176.167 177.584 -0.229 0.000 1.075 68 A CA -0.250 51.730 52.037 -0.096 0.000 0.777 68 A CB -0.172 18.658 19.000 -0.283 0.000 1.013 68 A HN 0.708 nan 8.150 nan 0.000 0.493 69 W N 0.620 121.808 121.300 -0.187 0.000 2.819 69 W HA 0.527 5.187 4.660 -0.000 0.000 0.337 69 W C -0.339 176.040 176.519 -0.234 0.000 1.077 69 W CA -0.406 56.831 57.345 -0.180 0.000 1.226 69 W CB 2.042 31.433 29.460 -0.115 0.000 1.419 69 W HN 0.731 nan 8.180 nan 0.000 0.502 70 V N -0.198 119.670 119.914 -0.076 0.000 3.074 70 V HA 0.684 4.804 4.120 -0.000 0.000 0.314 70 V C 0.097 176.176 176.094 -0.025 0.000 1.117 70 V CA -1.274 60.898 62.300 -0.214 0.000 1.014 70 V CB 1.188 32.621 31.823 -0.651 0.000 1.057 70 V HN 0.447 nan 8.190 nan 0.000 0.438 71 S N 0.861 116.579 115.700 0.029 0.000 2.558 71 S HA 0.047 4.517 4.470 -0.000 0.000 0.288 71 S C 0.967 175.631 174.600 0.107 0.000 1.318 71 S CA 0.467 58.725 58.200 0.097 0.000 1.056 71 S CB 0.269 63.551 63.200 0.137 0.000 0.853 71 S HN 1.169 nan 8.310 nan 0.000 0.505 72 D N 2.509 122.956 120.400 0.079 0.000 2.392 72 D HA -0.046 4.594 4.640 -0.000 0.000 0.228 72 D C 1.069 177.403 176.300 0.056 0.000 1.003 72 D CA 0.803 54.838 54.000 0.059 0.000 0.917 72 D CB -0.276 40.551 40.800 0.045 0.000 0.890 72 D HN 0.410 nan 8.370 nan 0.000 0.532 73 T N -1.815 112.789 114.554 0.083 0.000 3.132 73 T HA 0.157 4.507 4.350 -0.000 0.000 0.274 73 T C 0.509 175.259 174.700 0.083 0.000 1.011 73 T CA -0.671 61.464 62.100 0.058 0.000 0.899 73 T CB -0.716 68.179 68.868 0.044 0.000 1.089 73 T HN 0.118 nan 8.240 nan 0.000 0.543 74 F N 1.416 121.349 119.950 -0.028 0.000 2.128 74 F HA 0.219 4.746 4.527 -0.000 0.000 0.295 74 F C 1.673 177.473 175.800 0.001 0.000 1.100 74 F CA 1.118 59.111 58.000 -0.012 0.000 1.260 74 F CB -0.091 38.901 39.000 -0.012 0.000 1.009 74 F HN 0.160 nan 8.300 nan 0.000 0.476 75 I N 0.667 121.222 120.570 -0.025 0.000 2.226 75 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 75 I C 2.433 178.436 176.117 -0.190 0.000 1.100 75 I CA 1.779 62.963 61.300 -0.192 0.000 1.374 75 I CB -1.056 36.650 38.000 -0.490 0.000 1.057 75 I HN 0.386 nan 8.210 nan 0.000 0.413 76 N N 1.397 119.999 118.700 -0.163 0.000 2.058 76 N HA -0.224 4.516 4.740 -0.000 0.000 0.191 76 N C 1.397 176.850 175.510 -0.096 0.000 1.037 76 N CA 2.051 55.036 53.050 -0.108 0.000 0.848 76 N CB -0.091 38.350 38.487 -0.075 0.000 1.021 76 N HN 0.215 nan 8.380 nan 0.000 0.422 77 D N 0.237 120.567 120.400 -0.116 0.000 2.133 77 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 77 D C 2.020 178.206 176.300 -0.190 0.000 0.997 77 D CA 0.934 54.860 54.000 -0.124 0.000 0.840 77 D CB -0.201 40.539 40.800 -0.100 0.000 0.947 77 D HN 0.170 nan 8.370 nan 0.000 0.452 78 V N -0.652 119.060 119.914 -0.336 0.000 2.436 78 V HA -0.051 4.069 4.120 -0.000 0.000 0.240 78 V C 1.900 177.791 176.094 -0.338 0.000 1.040 78 V CA 0.895 62.936 62.300 -0.430 0.000 1.052 78 V CB -0.376 30.956 31.823 -0.817 0.000 0.707 78 V HN 0.060 nan 8.190 nan 0.000 0.469 79 F N 0.077 119.893 119.950 -0.225 0.000 2.234 79 F HA -0.021 4.506 4.527 -0.000 0.000 0.296 79 F C 2.105 177.883 175.800 -0.035 0.000 1.089 79 F CA 0.933 58.885 58.000 -0.079 0.000 1.343 79 F CB -0.082 38.892 39.000 -0.042 0.000 1.040 79 F HN 0.115 nan 8.300 nan 0.000 0.498 80 Q N -0.109 119.747 119.800 0.094 0.000 2.217 80 Q HA 0.045 4.385 4.340 -0.000 0.000 0.226 80 Q C 1.797 177.802 176.000 0.008 0.000 0.875 80 Q CA 0.217 56.050 55.803 0.050 0.000 0.974 80 Q CB 0.041 28.791 28.738 0.020 0.000 1.079 80 Q HN 0.300 nan 8.270 nan 0.000 0.463 81 S N -1.536 114.154 115.700 -0.018 0.000 2.406 81 S HA 0.030 4.500 4.470 -0.000 0.000 0.228 81 S C 1.673 176.266 174.600 -0.011 0.000 1.020 81 S CA 0.796 58.975 58.200 -0.036 0.000 0.965 81 S CB 0.022 63.177 63.200 -0.075 0.000 0.798 81 S HN 0.517 nan 8.310 nan 0.000 0.488 82 G N 0.629 109.434 108.800 0.009 0.000 2.201 82 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.212 82 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.212 82 G C 0.565 175.475 174.900 0.016 0.000 0.994 82 G CA 0.218 45.331 45.100 0.021 0.000 0.644 82 G HN 0.490 nan 8.290 nan 0.000 0.508 83 L N 0.698 121.920 121.223 -0.000 0.000 2.509 83 L HA 0.263 4.603 4.340 -0.000 0.000 0.222 83 L C 0.909 177.784 176.870 0.008 0.000 1.123 83 L CA 0.579 55.416 54.840 -0.006 0.000 0.856 83 L CB 0.230 42.273 42.059 -0.028 0.000 0.985 83 L HN 0.220 nan 8.230 nan 0.000 0.456 84 D N 0.223 120.642 120.400 0.030 0.000 2.456 84 D HA 0.072 4.712 4.640 -0.000 0.000 0.219 84 D C 0.583 176.936 176.300 0.088 0.000 1.126 84 D CA -0.028 54.012 54.000 0.067 0.000 0.890 84 D CB 1.016 41.885 40.800 0.115 0.000 1.025 84 D HN 0.072 nan 8.370 nan 0.000 0.511 85 Q N 1.586 121.416 119.800 0.051 0.000 2.320 85 Q HA 0.038 4.378 4.340 -0.000 0.000 0.201 85 Q C 1.421 177.437 176.000 0.026 0.000 0.910 85 Q CA 0.130 55.960 55.803 0.044 0.000 0.946 85 Q CB 0.489 29.236 28.738 0.016 0.000 1.062 85 Q HN 0.481 nan 8.270 nan 0.000 0.503 86 T N 0.380 114.945 114.554 0.018 0.000 2.685 86 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 86 T C 0.179 174.738 174.700 -0.235 0.000 1.034 86 T CA 1.321 63.351 62.100 -0.117 0.000 1.149 86 T CB -0.081 68.742 68.868 -0.074 0.000 0.860 86 T HN 0.113 nan 8.240 nan 0.000 0.449 87 F N 1.039 121.026 119.950 0.061 0.000 2.450 87 F HA 0.516 5.043 4.527 -0.000 0.000 0.332 87 F C 0.419 176.245 175.800 0.043 0.000 1.093 87 F CA -1.054 56.980 58.000 0.057 0.000 1.003 87 F CB 1.341 40.377 39.000 0.060 0.000 1.151 87 F HN -0.158 nan 8.300 nan 0.000 0.474 88 Q N 1.786 121.708 119.800 0.204 0.000 2.451 88 Q HA 0.510 4.850 4.340 -0.000 0.000 0.281 88 Q C -0.931 175.143 176.000 0.123 0.000 1.099 88 Q CA -1.137 54.742 55.803 0.126 0.000 0.806 88 Q CB 2.778 31.557 28.738 0.070 0.000 1.419 88 Q HN 0.550 nan 8.270 nan 0.000 0.427 89 V N -1.511 118.456 119.914 0.089 0.000 2.637 89 V HA 0.256 4.376 4.120 -0.000 0.000 0.296 89 V C 0.186 176.325 176.094 0.075 0.000 1.046 89 V CA -0.382 61.964 62.300 0.077 0.000 1.066 89 V CB 0.752 32.609 31.823 0.056 0.000 0.968 89 V HN 0.821 nan 8.190 nan 0.000 0.483 90 E N 3.354 123.603 120.200 0.082 0.000 2.014 90 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 90 E C 0.545 177.195 176.600 0.082 0.000 0.997 90 E CA -0.468 55.988 56.400 0.093 0.000 0.804 90 E CB 0.903 30.671 29.700 0.113 0.000 1.090 90 E HN 0.776 nan 8.360 nan 0.000 0.401 91 K N 2.881 123.326 120.400 0.074 0.000 2.167 91 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 91 K C 0.318 176.965 176.600 0.078 0.000 1.052 91 K CA 0.735 57.059 56.287 0.062 0.000 0.956 91 K CB 0.280 32.809 32.500 0.047 0.000 0.735 91 K HN 0.294 nan 8.250 nan 0.000 0.451 92 R N 1.867 122.436 120.500 0.115 0.000 2.310 92 R HA 0.216 4.556 4.340 -0.000 0.000 0.316 92 R C -2.646 173.784 176.300 0.216 0.000 1.004 92 R CA -1.886 54.312 56.100 0.164 0.000 0.900 92 R CB 1.279 31.698 30.300 0.198 0.000 1.152 92 R HN -0.017 nan 8.270 nan 0.000 0.513 93 P HA -0.100 nan 4.420 nan 0.000 0.267 93 P C -0.456 176.787 177.300 -0.094 0.000 1.209 93 P CA 0.161 63.296 63.100 0.059 0.000 0.763 93 P CB 0.481 32.188 31.700 0.011 0.000 0.816 94 H N 6.716 125.680 119.070 -0.176 0.000 2.972 94 H HA -0.017 4.539 4.556 -0.000 0.000 0.343 94 H C -1.199 173.782 175.328 -0.579 0.000 1.054 94 H CA -0.819 54.903 56.048 -0.544 0.000 1.412 94 H CB 0.686 30.276 29.762 -0.288 0.000 1.385 94 H HN 0.292 nan 8.280 nan 0.000 0.600 95 P HA -0.078 nan 4.420 nan 0.000 0.223 95 P C 1.421 178.614 177.300 -0.178 0.000 1.151 95 P CA 0.801 63.654 63.100 -0.411 0.000 0.787 95 P CB 0.371 31.782 31.700 -0.483 0.000 0.788 96 L N -1.235 119.948 121.223 -0.067 0.000 2.591 96 L HA 0.101 4.441 4.340 -0.000 0.000 0.228 96 L C 0.492 177.322 176.870 -0.066 0.000 1.133 96 L CA -0.230 54.520 54.840 -0.150 0.000 0.880 96 L CB -0.900 40.977 42.059 -0.302 0.000 1.033 96 L HN -0.108 nan 8.230 nan 0.000 0.450 97 N N 1.815 120.503 118.700 -0.020 0.000 2.293 97 N HA 0.030 4.770 4.740 -0.000 0.000 0.253 97 N C 0.322 175.854 175.510 0.036 0.000 1.248 97 N CA 0.318 53.432 53.050 0.108 0.000 0.845 97 N CB 0.583 39.118 38.487 0.080 0.000 1.073 97 N HN 0.131 nan 8.380 nan 0.000 0.464 98 A N 2.746 125.581 122.820 0.025 0.000 2.448 98 A HA 0.190 4.510 4.320 -0.000 0.000 0.239 98 A C 0.520 178.096 177.584 -0.013 0.000 1.080 98 A CA -0.456 51.575 52.037 -0.011 0.000 0.779 98 A CB 0.028 19.008 19.000 -0.033 0.000 1.026 98 A HN 0.689 nan 8.150 nan 0.000 0.499 99 L N 1.657 122.869 121.223 -0.018 0.000 2.559 99 L HA 0.067 4.407 4.340 -0.000 0.000 0.282 99 L C 1.466 178.322 176.870 -0.022 0.000 1.232 99 L CA 0.199 55.027 54.840 -0.020 0.000 0.885 99 L CB -0.330 41.715 42.059 -0.024 0.000 1.131 99 L HN 0.983 nan 8.230 nan 0.000 0.498 100 T N -0.220 114.322 114.554 -0.021 0.000 2.788 100 T HA 0.394 4.744 4.350 -0.000 0.000 0.280 100 T C 1.217 175.901 174.700 -0.028 0.000 0.984 100 T CA -0.227 61.861 62.100 -0.020 0.000 0.972 100 T CB 1.480 70.338 68.868 -0.016 0.000 1.039 100 T HN 0.616 nan 8.240 nan 0.000 0.530 101 A N 0.619 123.423 122.820 -0.027 0.000 1.908 101 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 101 A C 2.032 179.593 177.584 -0.038 0.000 1.181 101 A CA 1.868 53.885 52.037 -0.033 0.000 0.627 101 A CB -1.141 17.842 19.000 -0.028 0.000 0.818 101 A HN 0.896 nan 8.150 nan 0.000 0.445 102 D N -0.409 119.973 120.400 -0.030 0.000 2.117 102 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 102 D C 1.934 178.213 176.300 -0.035 0.000 0.982 102 D CA 1.450 55.432 54.000 -0.030 0.000 0.828 102 D CB -0.399 40.388 40.800 -0.022 0.000 0.967 102 D HN 0.651 nan 8.370 nan 0.000 0.464 103 E N 0.013 120.194 120.200 -0.032 0.000 2.150 103 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 103 E C 2.256 178.828 176.600 -0.046 0.000 0.985 103 E CA 0.246 56.627 56.400 -0.032 0.000 0.814 103 E CB 0.065 29.750 29.700 -0.025 0.000 0.752 103 E HN 0.300 nan 8.360 nan 0.000 0.466 104 I N 0.962 121.497 120.570 -0.058 0.000 2.252 104 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 104 I C 2.255 178.302 176.117 -0.117 0.000 1.102 104 I CA 1.186 62.433 61.300 -0.088 0.000 1.385 104 I CB -0.060 37.888 38.000 -0.087 0.000 1.064 104 I HN 0.013 nan 8.210 nan 0.000 0.414 105 K N 0.082 120.426 120.400 -0.092 0.000 2.103 105 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 105 K C 2.134 178.686 176.600 -0.080 0.000 1.052 105 K CA 1.041 57.272 56.287 -0.094 0.000 0.945 105 K CB -0.115 32.344 32.500 -0.069 0.000 0.722 105 K HN 0.308 nan 8.250 nan 0.000 0.443 106 Q N 0.636 120.401 119.800 -0.058 0.000 2.020 106 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 106 Q C 2.022 177.998 176.000 -0.040 0.000 0.982 106 Q CA 1.713 57.491 55.803 -0.041 0.000 0.838 106 Q CB -0.140 28.581 28.738 -0.028 0.000 0.899 106 Q HN 0.317 nan 8.270 nan 0.000 0.423 107 A N -0.091 122.702 122.820 -0.045 0.000 1.940 107 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 107 A C 2.163 179.726 177.584 -0.034 0.000 1.176 107 A CA 1.619 53.639 52.037 -0.028 0.000 0.631 107 A CB -0.624 18.356 19.000 -0.033 0.000 0.814 107 A HN 0.331 nan 8.150 nan 0.000 0.446 108 V N -0.232 119.615 119.914 -0.111 0.000 2.548 108 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 108 V C 2.323 178.364 176.094 -0.087 0.000 1.055 108 V CA 1.994 64.208 62.300 -0.142 0.000 1.065 108 V CB -0.737 30.910 31.823 -0.293 0.000 0.681 108 V HN 0.621 nan 8.190 nan 0.000 0.462 109 E N 0.111 120.264 120.200 -0.078 0.000 2.051 109 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 109 E C 2.186 178.757 176.600 -0.047 0.000 0.991 109 E CA 1.584 57.942 56.400 -0.069 0.000 0.799 109 E CB -0.198 29.473 29.700 -0.049 0.000 0.748 109 E HN 0.548 nan 8.360 nan 0.000 0.449 110 I N 0.731 121.297 120.570 -0.008 0.000 2.179 110 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 110 I C 2.612 178.774 176.117 0.075 0.000 1.088 110 I CA 1.104 62.423 61.300 0.031 0.000 1.357 110 I CB -0.329 37.701 38.000 0.051 0.000 1.051 110 I HN 0.105 nan 8.210 nan 0.000 0.409 111 V N -1.776 118.214 119.914 0.127 0.000 2.591 111 V HA -0.121 3.999 4.120 -0.000 0.000 0.249 111 V C 2.125 178.281 176.094 0.104 0.000 1.053 111 V CA 1.257 63.735 62.300 0.297 0.000 1.068 111 V CB -0.767 31.333 31.823 0.460 0.000 0.689 111 V HN 0.307 nan 8.190 nan 0.000 0.462 112 K N 0.900 121.138 120.400 -0.271 0.000 2.442 112 K HA 0.201 4.521 4.320 -0.000 0.000 0.198 112 K C 1.961 178.412 176.600 -0.249 0.000 1.042 112 K CA 1.093 56.964 56.287 -0.694 0.000 0.958 112 K CB -0.157 31.983 32.500 -0.600 0.000 0.766 112 K HN 0.636 nan 8.250 nan 0.000 0.474 113 A N 0.847 123.610 122.820 -0.095 0.000 2.308 113 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 113 A C 0.875 178.447 177.584 -0.021 0.000 1.216 113 A CA -0.104 51.907 52.037 -0.044 0.000 0.864 113 A CB 0.201 19.184 19.000 -0.029 0.000 0.902 113 A HN 0.153 nan 8.150 nan 0.000 0.499 114 S N -0.470 115.227 115.700 -0.005 0.000 2.580 114 S HA 0.468 4.938 4.470 -0.000 0.000 0.274 114 S C 1.266 175.808 174.600 -0.097 0.000 1.329 114 S CA 0.060 58.212 58.200 -0.080 0.000 1.036 114 S CB 1.289 64.378 63.200 -0.184 0.000 0.919 114 S HN 0.779 nan 8.310 nan 0.000 0.515 115 A N 2.960 125.696 122.820 -0.141 0.000 2.121 115 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 115 A C 1.538 179.024 177.584 -0.162 0.000 1.154 115 A CA 1.289 53.260 52.037 -0.111 0.000 0.679 115 A CB -0.488 18.449 19.000 -0.106 0.000 0.795 115 A HN 0.879 nan 8.150 nan 0.000 0.458 116 D N -1.571 118.605 120.400 -0.373 0.000 2.355 116 D HA 0.050 4.690 4.640 -0.000 0.000 0.218 116 D C -0.065 176.075 176.300 -0.267 0.000 1.004 116 D CA 0.144 53.834 54.000 -0.516 0.000 0.880 116 D CB -0.108 39.979 40.800 -1.188 0.000 0.911 116 D HN 0.426 nan 8.370 nan 0.000 0.528 117 F N 2.462 122.284 119.950 -0.214 0.000 2.471 117 F HA 0.131 4.658 4.527 -0.000 0.000 0.365 117 F C 0.540 176.388 175.800 0.080 0.000 1.095 117 F CA -0.418 57.662 58.000 0.132 0.000 1.174 117 F CB 0.394 39.507 39.000 0.188 0.000 1.105 117 F HN -0.466 nan 8.300 nan 0.000 0.535 118 K N 7.945 128.177 120.400 -0.280 0.000 2.130 118 K HA 0.240 4.560 4.320 -0.000 0.000 0.268 118 K C -1.794 174.691 176.600 -0.193 0.000 0.983 118 K CA -1.594 54.602 56.287 -0.152 0.000 0.893 118 K CB 1.392 33.823 32.500 -0.116 0.000 1.066 118 K HN 0.315 nan 8.250 nan 0.000 0.450 119 P HA -0.192 nan 4.420 nan 0.000 0.217 119 P C -0.039 177.309 177.300 0.080 0.000 1.158 119 P CA 1.683 64.841 63.100 0.097 0.000 0.887 119 P CB 0.156 31.895 31.700 0.065 0.000 0.792 120 N N -2.005 116.693 118.700 -0.004 0.000 2.380 120 N HA 0.096 4.836 4.740 -0.000 0.000 0.255 120 N C -0.484 174.994 175.510 -0.053 0.000 1.158 120 N CA -0.135 52.923 53.050 0.013 0.000 0.878 120 N CB -0.013 38.486 38.487 0.020 0.000 1.138 120 N HN 0.027 nan 8.380 nan 0.000 0.509 121 T N 1.102 115.539 114.554 -0.195 0.000 2.930 121 T HA 0.170 4.520 4.350 -0.000 0.000 0.306 121 T C 0.627 175.180 174.700 -0.246 0.000 1.045 121 T CA 0.340 62.222 62.100 -0.364 0.000 1.134 121 T CB 0.888 69.207 68.868 -0.916 0.000 0.961 121 T HN 0.169 nan 8.240 nan 0.000 0.545 122 R N 0.797 121.144 120.500 -0.255 0.000 2.902 122 R HA 0.599 4.938 4.340 -0.000 0.000 0.258 122 R C -1.151 174.959 176.300 -0.317 0.000 1.071 122 R CA -0.755 55.282 56.100 -0.104 0.000 1.024 122 R CB 1.244 31.635 30.300 0.151 0.000 1.184 122 R HN 0.464 nan 8.270 nan 0.000 0.492 123 F N 0.050 120.093 119.950 0.155 0.000 2.403 123 F HA 0.196 4.723 4.527 -0.000 0.000 0.355 123 F C 1.380 177.253 175.800 0.122 0.000 1.119 123 F CA -0.605 57.465 58.000 0.117 0.000 1.007 123 F CB 1.988 41.049 39.000 0.103 0.000 1.194 123 F HN 0.622 nan 8.300 nan 0.000 0.443 124 T N -1.673 113.007 114.554 0.209 0.000 2.942 124 T HA 0.065 4.415 4.350 -0.000 0.000 0.265 124 T C 0.362 175.152 174.700 0.151 0.000 1.062 124 T CA 0.576 62.770 62.100 0.157 0.000 1.139 124 T CB 0.246 69.176 68.868 0.104 0.000 0.883 124 T HN 0.579 nan 8.240 nan 0.000 0.468 125 E N -0.327 119.972 120.200 0.165 0.000 2.388 125 E HA 0.501 4.851 4.350 -0.000 0.000 0.289 125 E C -2.003 174.674 176.600 0.128 0.000 0.944 125 E CA -0.699 55.775 56.400 0.124 0.000 0.792 125 E CB 1.824 31.570 29.700 0.077 0.000 1.239 125 E HN 0.344 nan 8.360 nan 0.000 0.412 126 I N 3.066 123.687 120.570 0.084 0.000 2.493 126 I HA 0.340 4.510 4.170 -0.000 0.000 0.279 126 I C -0.799 175.331 176.117 0.023 0.000 1.045 126 I CA -0.359 60.970 61.300 0.047 0.000 1.106 126 I CB 1.670 39.658 38.000 -0.020 0.000 1.216 126 I HN 0.252 nan 8.210 nan 0.000 0.459 127 S N 4.891 120.609 115.700 0.030 0.000 2.570 127 S HA 0.513 4.983 4.470 -0.000 0.000 0.286 127 S C -0.611 173.996 174.600 0.012 0.000 1.099 127 S CA -0.658 57.553 58.200 0.018 0.000 0.913 127 S CB 2.385 65.603 63.200 0.030 0.000 1.085 127 S HN 0.477 nan 8.310 nan 0.000 0.480 128 L N 2.864 124.086 121.223 -0.000 0.000 2.640 128 L HA 0.134 4.474 4.340 -0.000 0.000 0.280 128 L C -0.476 176.397 176.870 0.005 0.000 1.229 128 L CA 0.036 54.873 54.840 -0.004 0.000 0.919 128 L CB -0.066 41.983 42.059 -0.016 0.000 1.168 128 L HN 0.585 nan 8.230 nan 0.000 0.496 129 L N 9.409 130.638 121.223 0.010 0.000 2.283 129 L HA 0.498 4.838 4.340 -0.000 0.000 0.287 129 L C -2.209 174.667 176.870 0.010 0.000 1.073 129 L CA -2.059 52.790 54.840 0.017 0.000 0.822 129 L CB 0.058 42.130 42.059 0.022 0.000 1.186 129 L HN 0.540 nan 8.230 nan 0.000 0.436 130 P HA 0.253 nan 4.420 nan 0.000 0.271 130 P C -2.594 174.723 177.300 0.028 0.000 1.220 130 P CA -1.013 62.097 63.100 0.018 0.000 0.768 130 P CB -0.037 31.686 31.700 0.040 0.000 0.848 131 P HA 0.030 nan 4.420 nan 0.000 0.271 131 P C -0.264 177.062 177.300 0.042 0.000 1.244 131 P CA 0.070 63.179 63.100 0.014 0.000 0.793 131 P CB 0.167 31.856 31.700 -0.018 0.000 0.984 132 D N -0.361 120.062 120.400 0.038 0.000 2.372 132 D HA 0.001 4.641 4.640 -0.000 0.000 0.243 132 D C 1.003 177.305 176.300 0.005 0.000 1.121 132 D CA -0.276 53.751 54.000 0.046 0.000 0.898 132 D CB 0.651 41.478 40.800 0.046 0.000 1.202 132 D HN 0.322 nan 8.370 nan 0.000 0.428 133 K N 1.427 121.780 120.400 -0.077 0.000 2.020 133 K HA -0.288 4.032 4.320 -0.000 0.000 0.212 133 K C 1.731 178.210 176.600 -0.202 0.000 1.050 133 K CA 1.664 57.713 56.287 -0.395 0.000 0.929 133 K CB -0.079 31.970 32.500 -0.752 0.000 0.714 133 K HN 0.624 nan 8.250 nan 0.000 0.443 134 E N -0.405 119.758 120.200 -0.061 0.000 2.114 134 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 134 E C 1.766 178.427 176.600 0.102 0.000 1.008 134 E CA 1.374 57.807 56.400 0.055 0.000 0.810 134 E CB -0.162 29.561 29.700 0.039 0.000 0.739 134 E HN 0.499 nan 8.360 nan 0.000 0.456 135 A N 0.131 122.988 122.820 0.062 0.000 1.968 135 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 135 A C 2.340 179.981 177.584 0.096 0.000 1.169 135 A CA 1.069 53.150 52.037 0.074 0.000 0.638 135 A CB -0.309 18.716 19.000 0.042 0.000 0.812 135 A HN 0.200 nan 8.150 nan 0.000 0.446 136 V N -2.153 117.800 119.914 0.065 0.000 2.307 136 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 136 V C 2.208 178.395 176.094 0.154 0.000 1.045 136 V CA 1.634 63.959 62.300 0.041 0.000 1.024 136 V CB -1.056 30.798 31.823 0.052 0.000 0.651 136 V HN 0.792 nan 8.190 nan 0.000 0.449 137 W N 0.141 121.531 121.300 0.150 0.000 2.321 137 W HA -0.243 4.417 4.660 -0.000 0.000 0.306 137 W C 2.628 179.203 176.519 0.093 0.000 1.217 137 W CA 1.266 58.689 57.345 0.131 0.000 1.257 137 W CB -0.292 29.198 29.460 0.050 0.000 1.145 137 W HN 0.228 nan 8.180 nan 0.000 0.509 138 A N -0.261 122.755 122.820 0.326 0.000 1.908 138 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 138 A C 1.685 179.369 177.584 0.168 0.000 1.181 138 A CA 1.725 53.878 52.037 0.194 0.000 0.627 138 A CB -1.340 17.742 19.000 0.136 0.000 0.818 138 A HN 0.432 nan 8.150 nan 0.000 0.445 139 F N 0.884 120.852 119.950 0.030 0.000 2.134 139 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 139 F C 2.419 178.211 175.800 -0.013 0.000 1.097 139 F CA 1.434 59.411 58.000 -0.038 0.000 1.264 139 F CB -0.312 38.597 39.000 -0.153 0.000 1.001 139 F HN 0.231 nan 8.300 nan 0.000 0.479 140 A N 0.067 123.009 122.820 0.204 0.000 1.968 140 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 140 A C 2.139 179.803 177.584 0.133 0.000 1.169 140 A CA 1.537 53.685 52.037 0.186 0.000 0.638 140 A CB -0.752 18.469 19.000 0.368 0.000 0.812 140 A HN 0.503 nan 8.150 nan 0.000 0.446 141 L N -1.925 119.399 121.223 0.169 0.000 2.316 141 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 141 L C 1.755 178.634 176.870 0.016 0.000 1.070 141 L CA 0.750 55.654 54.840 0.108 0.000 0.820 141 L CB 0.022 42.152 42.059 0.118 0.000 0.992 141 L HN 0.329 nan 8.230 nan 0.000 0.466 142 E N -1.009 119.187 120.200 -0.006 0.000 2.562 142 E HA 0.118 4.468 4.350 -0.000 0.000 0.214 142 E C -0.255 176.286 176.600 -0.097 0.000 0.979 142 E CA -0.164 56.214 56.400 -0.037 0.000 1.002 142 E CB 0.574 30.271 29.700 -0.007 0.000 1.048 142 E HN 0.196 nan 8.360 nan 0.000 0.488 143 N N 1.658 120.234 118.700 -0.207 0.000 2.741 143 N HA -0.195 4.545 4.740 -0.000 0.000 0.250 143 N C -0.357 175.044 175.510 -0.182 0.000 1.115 143 N CA 0.909 53.744 53.050 -0.359 0.000 0.724 143 N CB -0.997 37.336 38.487 -0.256 0.000 1.090 143 N HN 0.235 nan 8.380 nan 0.000 0.558 144 K N 1.681 122.047 120.400 -0.057 0.000 2.316 144 K HA 0.231 4.551 4.320 -0.000 0.000 0.289 144 K C -2.404 174.278 176.600 0.136 0.000 1.070 144 K CA -1.264 55.045 56.287 0.036 0.000 0.928 144 K CB 0.678 33.206 32.500 0.047 0.000 1.039 144 K HN -0.183 nan 8.250 nan 0.000 0.480 145 P HA -0.117 nan 4.420 nan 0.000 0.260 145 P C -0.853 176.513 177.300 0.111 0.000 1.172 145 P CA -0.071 63.125 63.100 0.159 0.000 0.760 145 P CB 0.504 32.259 31.700 0.091 0.000 0.773 146 V N 4.622 124.588 119.914 0.087 0.000 2.415 146 V HA -0.002 4.118 4.120 -0.000 0.000 0.267 146 V C 1.189 177.289 176.094 0.009 0.000 1.042 146 V CA 0.750 63.064 62.300 0.023 0.000 1.000 146 V CB 0.342 32.134 31.823 -0.051 0.000 1.015 146 V HN 0.512 nan 8.190 nan 0.000 0.478 147 D N 4.053 124.464 120.400 0.018 0.000 2.460 147 D HA 0.163 4.803 4.640 -0.000 0.000 0.229 147 D C 0.493 176.799 176.300 0.009 0.000 1.170 147 D CA 0.024 54.033 54.000 0.015 0.000 0.827 147 D CB 0.364 41.177 40.800 0.021 0.000 0.973 147 D HN 0.657 nan 8.370 nan 0.000 0.496 148 Q N 0.853 120.655 119.800 0.002 0.000 2.226 148 Q HA 0.470 4.810 4.340 -0.000 0.000 0.256 148 Q C -2.127 173.871 176.000 -0.004 0.000 0.962 148 Q CA -1.764 54.041 55.803 0.002 0.000 0.887 148 Q CB 1.376 30.117 28.738 0.004 0.000 1.282 148 Q HN 0.064 nan 8.270 nan 0.000 0.449 149 P HA 0.108 nan 4.420 nan 0.000 0.276 149 P C -0.823 176.473 177.300 -0.007 0.000 1.244 149 P CA -0.459 62.639 63.100 -0.003 0.000 0.801 149 P CB 0.703 32.406 31.700 0.004 0.000 1.006 150 R N 2.027 122.520 120.500 -0.012 0.000 2.449 150 R HA 0.185 4.525 4.340 -0.000 0.000 0.296 150 R C 0.451 176.750 176.300 -0.003 0.000 1.047 150 R CA 0.384 56.475 56.100 -0.014 0.000 1.018 150 R CB 0.091 30.380 30.300 -0.018 0.000 0.962 150 R HN 0.509 nan 8.270 nan 0.000 0.428 151 K N 0.843 121.244 120.400 0.001 0.000 2.340 151 K HA 0.692 5.012 4.320 -0.000 0.000 0.244 151 K C -0.943 175.665 176.600 0.012 0.000 0.973 151 K CA -0.808 55.486 56.287 0.012 0.000 0.828 151 K CB 2.390 34.901 32.500 0.019 0.000 1.226 151 K HN 0.601 nan 8.250 nan 0.000 0.437 152 A N 1.513 124.345 122.820 0.021 0.000 2.374 152 A HA 0.337 4.657 4.320 -0.000 0.000 0.305 152 A C -1.346 176.260 177.584 0.037 0.000 1.053 152 A CA -0.819 51.231 52.037 0.023 0.000 0.726 152 A CB 0.877 19.886 19.000 0.015 0.000 1.229 152 A HN 0.651 nan 8.150 nan 0.000 0.431 153 D N 1.735 122.159 120.400 0.039 0.000 2.343 153 D HA 0.355 4.995 4.640 -0.000 0.000 0.255 153 D C -0.538 175.800 176.300 0.063 0.000 1.187 153 D CA 0.486 54.516 54.000 0.050 0.000 0.875 153 D CB 1.562 42.394 40.800 0.054 0.000 1.136 153 D HN 0.160 nan 8.370 nan 0.000 0.469 154 V N 5.107 125.063 119.914 0.070 0.000 2.304 154 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 154 V C 0.480 176.625 176.094 0.084 0.000 1.018 154 V CA -0.692 61.679 62.300 0.118 0.000 0.814 154 V CB 0.866 32.786 31.823 0.162 0.000 1.021 154 V HN 0.346 nan 8.190 nan 0.000 0.440 155 I N 5.613 126.250 120.570 0.111 0.000 2.325 155 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 155 I C 0.019 176.162 176.117 0.044 0.000 1.019 155 I CA 0.017 61.354 61.300 0.061 0.000 1.302 155 I CB 1.267 39.330 38.000 0.105 0.000 1.401 155 I HN 0.457 nan 8.210 nan 0.000 0.485 156 M N 6.268 125.804 119.600 -0.107 0.000 2.578 156 M HA 0.463 4.943 4.480 -0.000 0.000 0.321 156 M C -1.122 175.057 176.300 -0.201 0.000 1.182 156 M CA -0.879 54.279 55.300 -0.236 0.000 0.965 156 M CB 2.553 34.923 32.600 -0.383 0.000 1.694 156 M HN 0.345 nan 8.290 nan 0.000 0.461 157 L N 2.626 123.722 121.223 -0.212 0.000 2.353 157 L HA 0.391 4.731 4.340 -0.000 0.000 0.270 157 L C -1.136 175.629 176.870 -0.175 0.000 1.003 157 L CA -0.202 54.547 54.840 -0.152 0.000 0.862 157 L CB 0.848 42.854 42.059 -0.088 0.000 1.221 157 L HN 0.509 nan 8.230 nan 0.000 0.430 158 D N 4.280 124.594 120.400 -0.143 0.000 2.500 158 D HA 0.506 5.146 4.640 -0.000 0.000 0.219 158 D C 1.085 177.354 176.300 -0.052 0.000 1.137 158 D CA 0.890 54.819 54.000 -0.117 0.000 0.946 158 D CB 0.485 41.241 40.800 -0.074 0.000 1.022 158 D HN 0.830 nan 8.370 nan 0.000 0.518 159 G N 5.040 113.791 108.800 -0.083 0.000 4.610 159 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.323 159 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.323 159 G C 0.795 175.603 174.900 -0.152 0.000 1.377 159 G CA 0.868 45.913 45.100 -0.091 0.000 1.023 159 G HN 0.648 nan 8.290 nan 0.000 0.755 160 K N 0.558 120.788 120.400 -0.285 0.000 2.520 160 K HA 0.444 4.763 4.320 -0.000 0.000 0.206 160 K C 0.043 176.376 176.600 -0.444 0.000 1.122 160 K CA -0.065 56.017 56.287 -0.343 0.000 1.045 160 K CB 0.318 32.599 32.500 -0.366 0.000 0.932 160 K HN 0.635 nan 8.250 nan 0.000 0.571 161 H N 1.052 120.041 119.070 -0.134 0.000 2.488 161 H HA 0.309 4.865 4.556 -0.000 0.000 0.322 161 H C -0.521 174.696 175.328 -0.185 0.000 1.078 161 H CA -0.875 55.077 56.048 -0.160 0.000 1.260 161 H CB 1.357 31.046 29.762 -0.123 0.000 1.425 161 H HN 0.019 nan 8.280 nan 0.000 0.471 162 I N 4.642 125.139 120.570 -0.122 0.000 2.371 162 I HA 0.134 4.304 4.170 -0.000 0.000 0.290 162 I C -0.108 175.891 176.117 -0.196 0.000 1.028 162 I CA -0.233 60.948 61.300 -0.199 0.000 1.345 162 I CB 0.315 38.095 38.000 -0.367 0.000 1.407 162 I HN 0.513 nan 8.210 nan 0.000 0.501 163 I N 6.296 126.726 120.570 -0.232 0.000 2.465 163 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 163 I C 0.106 176.026 176.117 -0.328 0.000 1.014 163 I CA -0.361 60.731 61.300 -0.347 0.000 1.093 163 I CB 1.695 39.339 38.000 -0.594 0.000 1.267 163 I HN 0.435 nan 8.210 nan 0.000 0.431 164 E N 4.961 125.006 120.200 -0.258 0.000 2.134 164 E HA 0.737 5.087 4.350 -0.000 0.000 0.278 164 E C -0.781 175.693 176.600 -0.211 0.000 0.959 164 E CA -0.682 55.629 56.400 -0.149 0.000 0.783 164 E CB 1.782 31.471 29.700 -0.019 0.000 1.095 164 E HN 0.664 nan 8.360 nan 0.000 0.399 165 A N 2.719 125.439 122.820 -0.167 0.000 2.384 165 A HA 0.694 5.014 4.320 -0.000 0.000 0.312 165 A C -0.895 176.702 177.584 0.022 0.000 1.113 165 A CA -0.635 51.353 52.037 -0.081 0.000 0.779 165 A CB 1.500 20.442 19.000 -0.097 0.000 1.307 165 A HN 0.390 nan 8.150 nan 0.000 0.436 166 V N 1.693 121.646 119.914 0.065 0.000 2.531 166 V HA 0.573 4.693 4.120 -0.000 0.000 0.301 166 V C -0.297 175.846 176.094 0.081 0.000 1.034 166 V CA -0.484 61.856 62.300 0.065 0.000 0.865 166 V CB 1.446 33.303 31.823 0.057 0.000 0.995 166 V HN 1.102 nan 8.190 nan 0.000 0.424 167 V N 0.627 120.583 119.914 0.070 0.000 2.715 167 V HA 0.723 4.843 4.120 -0.000 0.000 0.310 167 V C -0.663 175.458 176.094 0.045 0.000 1.054 167 V CA -0.631 61.710 62.300 0.068 0.000 0.928 167 V CB 2.108 33.973 31.823 0.070 0.000 1.007 167 V HN 0.788 nan 8.190 nan 0.000 0.437 168 D N 2.883 123.308 120.400 0.040 0.000 2.373 168 D HA 0.391 5.031 4.640 -0.000 0.000 0.227 168 D C 0.644 176.956 176.300 0.020 0.000 1.091 168 D CA -0.220 53.797 54.000 0.027 0.000 0.840 168 D CB 1.687 42.504 40.800 0.027 0.000 1.060 168 D HN 0.636 nan 8.370 nan 0.000 0.502 169 L N 2.981 124.211 121.223 0.012 0.000 2.270 169 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 169 L C 2.404 179.276 176.870 0.003 0.000 1.104 169 L CA 0.434 55.277 54.840 0.005 0.000 0.804 169 L CB -0.072 41.986 42.059 -0.002 0.000 0.937 169 L HN 0.502 nan 8.230 nan 0.000 0.450 170 Q N 0.375 120.177 119.800 0.004 0.000 2.079 170 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 170 Q C 1.337 177.341 176.000 0.006 0.000 0.974 170 Q CA 1.330 57.135 55.803 0.003 0.000 0.840 170 Q CB 0.265 29.005 28.738 0.003 0.000 0.898 170 Q HN 0.473 nan 8.270 nan 0.000 0.430 171 N N 0.587 119.292 118.700 0.009 0.000 2.236 171 N HA -0.017 4.723 4.740 -0.000 0.000 0.196 171 N C -0.501 175.015 175.510 0.012 0.000 1.114 171 N CA 0.168 53.224 53.050 0.010 0.000 0.859 171 N CB 0.342 38.837 38.487 0.013 0.000 0.982 171 N HN 0.238 nan 8.380 nan 0.000 0.493 172 N N 1.689 120.396 118.700 0.011 0.000 2.688 172 N HA -0.225 4.515 4.740 -0.000 0.000 0.258 172 N C -0.937 174.584 175.510 0.019 0.000 1.016 172 N CA 0.888 53.945 53.050 0.012 0.000 0.747 172 N CB -0.912 37.579 38.487 0.006 0.000 0.895 172 N HN 0.533 nan 8.380 nan 0.000 0.543 173 K N -0.977 119.439 120.400 0.027 0.000 2.508 173 K HA 0.563 4.883 4.320 -0.000 0.000 0.260 173 K C -1.076 175.556 176.600 0.054 0.000 0.949 173 K CA -1.219 55.089 56.287 0.036 0.000 0.834 173 K CB 1.085 33.603 32.500 0.030 0.000 1.365 173 K HN 0.019 nan 8.250 nan 0.000 0.437 174 L N 3.697 124.962 121.223 0.070 0.000 2.313 174 L HA 0.211 4.551 4.340 -0.000 0.000 0.282 174 L C 0.146 177.074 176.870 0.096 0.000 1.092 174 L CA -0.086 54.817 54.840 0.105 0.000 0.831 174 L CB 0.426 42.571 42.059 0.143 0.000 1.159 174 L HN 0.878 nan 8.230 nan 0.000 0.442 175 L N 3.117 124.398 121.223 0.097 0.000 2.298 175 L HA 0.231 4.571 4.340 -0.000 0.000 0.209 175 L C 0.470 177.401 176.870 0.101 0.000 1.084 175 L CA 0.689 55.579 54.840 0.082 0.000 0.816 175 L CB -0.263 41.835 42.059 0.065 0.000 0.967 175 L HN 0.860 nan 8.230 nan 0.000 0.460 176 S N -2.473 113.309 115.700 0.137 0.000 2.578 176 S HA 0.349 4.819 4.470 -0.000 0.000 0.272 176 S C -1.973 172.775 174.600 0.247 0.000 1.145 176 S CA -0.793 57.506 58.200 0.164 0.000 0.835 176 S CB 1.931 65.197 63.200 0.109 0.000 1.104 176 S HN 0.208 nan 8.310 nan 0.000 0.458 177 W N 2.357 123.681 121.300 0.041 0.000 2.664 177 W HA 0.415 5.075 4.660 -0.000 0.000 0.314 177 W C -1.727 174.808 176.519 0.026 0.000 1.010 177 W CA -0.203 57.168 57.345 0.043 0.000 1.306 177 W CB 1.607 31.093 29.460 0.044 0.000 1.254 177 W HN 0.789 nan 8.180 nan 0.000 0.404 178 Q N 6.161 125.938 119.800 -0.039 0.000 2.381 178 Q HA 0.331 4.671 4.340 -0.000 0.000 0.263 178 Q C -2.279 173.672 176.000 -0.082 0.000 1.030 178 Q CA -1.891 53.914 55.803 0.004 0.000 0.772 178 Q CB 2.274 31.014 28.738 0.004 0.000 1.232 178 Q HN 0.169 nan 8.270 nan 0.000 0.476 179 P HA 0.110 nan 4.420 nan 0.000 0.268 179 P C -0.359 176.899 177.300 -0.070 0.000 1.204 179 P CA -0.009 63.063 63.100 -0.047 0.000 0.768 179 P CB 0.676 32.380 31.700 0.008 0.000 0.842 180 I N 3.029 123.524 120.570 -0.124 0.000 2.312 180 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 180 I C 0.710 176.731 176.117 -0.160 0.000 1.008 180 I CA -1.051 60.160 61.300 -0.149 0.000 1.226 180 I CB 0.987 38.836 38.000 -0.253 0.000 1.371 180 I HN 0.272 nan 8.210 nan 0.000 0.468 181 K N 6.210 126.548 120.400 -0.104 0.000 2.368 181 K HA 0.107 4.427 4.320 -0.000 0.000 0.282 181 K C 0.371 176.904 176.600 -0.112 0.000 1.035 181 K CA 0.543 56.778 56.287 -0.086 0.000 0.973 181 K CB 0.345 32.818 32.500 -0.044 0.000 0.957 181 K HN 0.539 nan 8.250 nan 0.000 0.474 182 D N 0.737 121.058 120.400 -0.132 0.000 2.946 182 D HA -0.207 4.433 4.640 -0.000 0.000 0.202 182 D C -0.671 175.478 176.300 -0.251 0.000 1.068 182 D CA 1.554 55.459 54.000 -0.158 0.000 1.011 182 D CB -1.279 39.480 40.800 -0.068 0.000 1.105 182 D HN 0.646 nan 8.370 nan 0.000 0.425 183 A N 0.690 123.326 122.820 -0.307 0.000 2.401 183 A HA 0.418 4.738 4.320 -0.000 0.000 0.259 183 A C 0.179 177.501 177.584 -0.437 0.000 1.103 183 A CA 0.074 51.877 52.037 -0.391 0.000 0.789 183 A CB 0.532 19.100 19.000 -0.720 0.000 1.035 183 A HN 0.207 nan 8.150 nan 0.000 0.491 184 H N 0.884 119.844 119.070 -0.183 0.000 2.472 184 H HA 0.450 5.006 4.556 -0.000 0.000 0.338 184 H C 0.732 176.003 175.328 -0.095 0.000 1.133 184 H CA 0.298 56.264 56.048 -0.137 0.000 1.216 184 H CB 1.823 31.527 29.762 -0.097 0.000 1.497 184 H HN 0.864 nan 8.280 nan 0.000 0.500 185 G N 2.289 111.102 108.800 0.021 0.000 2.444 185 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 185 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 185 G C 0.751 175.655 174.900 0.006 0.000 1.203 185 G CA -0.691 44.420 45.100 0.018 0.000 0.835 185 G HN 0.634 nan 8.290 nan 0.000 0.543 186 M N 0.773 120.376 119.600 0.006 0.000 2.150 186 M HA 0.301 4.781 4.480 -0.000 0.000 0.278 186 M C -0.185 176.050 176.300 -0.109 0.000 1.213 186 M CA -0.174 55.087 55.300 -0.066 0.000 1.147 186 M CB 0.046 32.621 32.600 -0.043 0.000 1.371 186 M HN 0.106 nan 8.290 nan 0.000 0.444 187 V N 2.315 122.103 119.914 -0.210 0.000 2.488 187 V HA 0.306 4.426 4.120 -0.000 0.000 0.277 187 V C 0.405 176.484 176.094 -0.025 0.000 1.046 187 V CA -0.355 61.834 62.300 -0.186 0.000 0.986 187 V CB 0.562 32.157 31.823 -0.379 0.000 0.989 187 V HN 0.624 nan 8.190 nan 0.000 0.475 188 L N 3.892 125.105 121.223 -0.017 0.000 2.365 188 L HA 0.384 4.724 4.340 -0.000 0.000 0.267 188 L C 1.195 178.044 176.870 -0.035 0.000 1.033 188 L CA -0.758 54.051 54.840 -0.050 0.000 0.802 188 L CB 1.037 42.997 42.059 -0.165 0.000 1.267 188 L HN 0.497 nan 8.230 nan 0.000 0.457 189 L N 1.363 122.441 121.223 -0.242 0.000 2.042 189 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 189 L C 2.092 178.894 176.870 -0.115 0.000 1.076 189 L CA 2.068 56.807 54.840 -0.169 0.000 0.749 189 L CB -0.663 41.297 42.059 -0.164 0.000 0.893 189 L HN 0.874 nan 8.230 nan 0.000 0.432 190 D N -2.172 117.982 120.400 -0.409 0.000 2.312 190 D HA -0.195 4.444 4.640 -0.000 0.000 0.211 190 D C 1.426 177.706 176.300 -0.033 0.000 0.964 190 D CA 0.890 54.795 54.000 -0.158 0.000 0.877 190 D CB -0.625 40.084 40.800 -0.151 0.000 0.924 190 D HN 0.368 nan 8.370 nan 0.000 0.515 191 D N -0.102 120.282 120.400 -0.026 0.000 2.218 191 D HA -0.109 4.531 4.640 -0.000 0.000 0.204 191 D C 1.597 177.888 176.300 -0.014 0.000 0.976 191 D CA 0.535 54.513 54.000 -0.036 0.000 0.853 191 D CB -0.399 40.349 40.800 -0.086 0.000 0.939 191 D HN 0.258 nan 8.370 nan 0.000 0.481 192 F N 1.280 121.199 119.950 -0.052 0.000 2.186 192 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 192 F C 2.457 178.237 175.800 -0.033 0.000 1.090 192 F CA 0.848 58.840 58.000 -0.014 0.000 1.307 192 F CB -0.441 38.573 39.000 0.024 0.000 1.019 192 F HN -0.081 nan 8.300 nan 0.000 0.489 193 A N -0.719 122.189 122.820 0.146 0.000 1.898 193 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 193 A C 2.351 179.940 177.584 0.008 0.000 1.183 193 A CA 1.625 53.701 52.037 0.066 0.000 0.622 193 A CB -1.036 18.000 19.000 0.059 0.000 0.824 193 A HN 0.276 nan 8.150 nan 0.000 0.444 194 S N 0.022 115.716 115.700 -0.009 0.000 2.365 194 S HA -0.207 4.263 4.470 -0.000 0.000 0.221 194 S C 1.896 176.449 174.600 -0.077 0.000 1.037 194 S CA 1.608 59.783 58.200 -0.043 0.000 1.060 194 S CB -0.947 62.222 63.200 -0.052 0.000 0.974 194 S HN 0.321 nan 8.310 nan 0.000 0.427 195 V N 1.977 121.831 119.914 -0.101 0.000 2.242 195 V HA -0.346 3.774 4.120 -0.000 0.000 0.257 195 V C 2.707 178.709 176.094 -0.153 0.000 1.073 195 V CA 2.571 64.783 62.300 -0.147 0.000 1.058 195 V CB -0.847 30.871 31.823 -0.176 0.000 0.664 195 V HN 0.493 nan 8.190 nan 0.000 0.451 196 Q N 0.214 119.952 119.800 -0.104 0.000 2.079 196 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 196 Q C 2.099 178.038 176.000 -0.102 0.000 0.974 196 Q CA 2.269 58.009 55.803 -0.105 0.000 0.840 196 Q CB -0.572 28.134 28.738 -0.054 0.000 0.898 196 Q HN 0.743 nan 8.270 nan 0.000 0.430 197 N N -0.321 118.336 118.700 -0.072 0.000 2.120 197 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 197 N C 1.794 177.256 175.510 -0.080 0.000 1.024 197 N CA 1.488 54.503 53.050 -0.059 0.000 0.852 197 N CB -0.075 38.391 38.487 -0.035 0.000 1.003 197 N HN 0.382 nan 8.380 nan 0.000 0.424 198 I N 0.504 121.012 120.570 -0.104 0.000 2.252 198 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 198 I C 2.094 178.111 176.117 -0.167 0.000 1.102 198 I CA 0.569 61.799 61.300 -0.118 0.000 1.385 198 I CB -0.125 37.800 38.000 -0.125 0.000 1.064 198 I HN 0.097 nan 8.210 nan 0.000 0.414 199 I N 1.205 121.617 120.570 -0.262 0.000 2.163 199 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 199 I C 2.121 178.111 176.117 -0.213 0.000 1.085 199 I CA 1.585 62.623 61.300 -0.437 0.000 1.347 199 I CB -0.774 36.809 38.000 -0.695 0.000 1.044 199 I HN 0.227 nan 8.210 nan 0.000 0.408 200 N N 0.813 119.437 118.700 -0.126 0.000 2.192 200 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 200 N C 1.214 176.716 175.510 -0.014 0.000 1.013 200 N CA 1.158 54.185 53.050 -0.040 0.000 0.863 200 N CB -0.502 37.964 38.487 -0.036 0.000 0.990 200 N HN 0.428 nan 8.380 nan 0.000 0.430 201 N N -0.571 118.110 118.700 -0.032 0.000 2.280 201 N HA -0.003 4.736 4.740 -0.000 0.000 0.192 201 N C -0.214 175.295 175.510 -0.002 0.000 1.109 201 N CA 0.085 53.127 53.050 -0.015 0.000 0.855 201 N CB 0.386 38.859 38.487 -0.023 0.000 0.974 201 N HN 0.003 nan 8.380 nan 0.000 0.482 202 S N 0.403 116.109 115.700 0.010 0.000 2.438 202 S HA 0.210 4.680 4.470 -0.000 0.000 0.293 202 S C 0.992 175.645 174.600 0.088 0.000 1.141 202 S CA -0.517 57.709 58.200 0.044 0.000 1.080 202 S CB 1.348 64.577 63.200 0.049 0.000 0.978 202 S HN 0.089 nan 8.310 nan 0.000 0.479 203 E N 3.166 123.400 120.200 0.056 0.000 2.112 203 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 203 E C 1.364 177.994 176.600 0.049 0.000 0.979 203 E CA 1.066 57.494 56.400 0.046 0.000 0.814 203 E CB 0.024 29.738 29.700 0.023 0.000 0.762 203 E HN 0.734 nan 8.360 nan 0.000 0.460 204 E N 0.658 120.891 120.200 0.055 0.000 2.097 204 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 204 E C 1.627 178.263 176.600 0.061 0.000 1.000 204 E CA 1.023 57.450 56.400 0.045 0.000 0.804 204 E CB -0.340 29.388 29.700 0.046 0.000 0.740 204 E HN 0.244 nan 8.360 nan 0.000 0.454 205 F N 0.671 120.602 119.950 -0.031 0.000 2.187 205 F HA 0.027 4.554 4.527 -0.000 0.000 0.295 205 F C 2.198 177.980 175.800 -0.030 0.000 1.091 205 F CA 1.110 59.090 58.000 -0.035 0.000 1.308 205 F CB -0.221 38.755 39.000 -0.041 0.000 1.030 205 F HN 0.032 nan 8.300 nan 0.000 0.487 206 A N 0.169 123.061 122.820 0.120 0.000 2.019 206 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 206 A C 2.289 179.837 177.584 -0.060 0.000 1.164 206 A CA 1.596 53.651 52.037 0.030 0.000 0.644 206 A CB -1.343 17.694 19.000 0.061 0.000 0.805 206 A HN 0.467 nan 8.150 nan 0.000 0.449 207 A N -0.273 122.513 122.820 -0.057 0.000 1.898 207 A HA 0.295 4.615 4.320 -0.000 0.000 0.214 207 A C 2.479 179.994 177.584 -0.114 0.000 1.183 207 A CA 1.642 53.640 52.037 -0.066 0.000 0.622 207 A CB -0.918 18.059 19.000 -0.038 0.000 0.824 207 A HN 0.952 nan 8.150 nan 0.000 0.444 208 A N -0.462 122.251 122.820 -0.179 0.000 1.902 208 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 208 A C 2.215 179.639 177.584 -0.268 0.000 1.181 208 A CA 1.742 53.643 52.037 -0.227 0.000 0.623 208 A CB -0.960 17.860 19.000 -0.299 0.000 0.818 208 A HN 0.353 nan 8.150 nan 0.000 0.443 209 V N 0.296 119.986 119.914 -0.372 0.000 2.332 209 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 209 V C 2.582 178.585 176.094 -0.150 0.000 1.055 209 V CA 2.501 64.624 62.300 -0.296 0.000 1.038 209 V CB -0.605 31.049 31.823 -0.282 0.000 0.651 209 V HN 0.718 nan 8.190 nan 0.000 0.450 210 K N 0.348 120.679 120.400 -0.115 0.000 2.026 210 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 210 K C 2.302 178.866 176.600 -0.060 0.000 1.048 210 K CA 1.942 58.188 56.287 -0.068 0.000 0.929 210 K CB -0.229 32.241 32.500 -0.051 0.000 0.713 210 K HN 0.354 nan 8.250 nan 0.000 0.439 211 K N 0.527 120.887 120.400 -0.068 0.000 2.152 211 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 211 K C 1.547 178.117 176.600 -0.050 0.000 1.048 211 K CA 1.171 57.426 56.287 -0.053 0.000 0.933 211 K CB 0.095 32.561 32.500 -0.056 0.000 0.721 211 K HN 0.100 nan 8.250 nan 0.000 0.447 212 R N -0.547 119.913 120.500 -0.067 0.000 2.328 212 R HA 0.006 4.346 4.340 -0.000 0.000 0.200 212 R C 0.942 177.222 176.300 -0.034 0.000 0.983 212 R CA 0.855 56.922 56.100 -0.055 0.000 1.062 212 R CB 0.120 30.371 30.300 -0.082 0.000 0.956 212 R HN 0.546 nan 8.270 nan 0.000 0.479 213 G N 1.220 110.002 108.800 -0.031 0.000 2.141 213 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 213 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 213 G C -0.013 174.877 174.900 -0.015 0.000 0.982 213 G CA -0.331 44.759 45.100 -0.017 0.000 0.662 213 G HN 0.222 nan 8.290 nan 0.000 0.527 214 I N 1.694 122.249 120.570 -0.026 0.000 2.342 214 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 214 I C 1.790 177.895 176.117 -0.020 0.000 1.010 214 I CA 0.600 61.888 61.300 -0.020 0.000 1.308 214 I CB 1.711 39.695 38.000 -0.026 0.000 1.400 214 I HN 0.268 nan 8.210 nan 0.000 0.488 215 T N 0.583 115.130 114.554 -0.013 0.000 2.939 215 T HA 0.038 4.388 4.350 -0.000 0.000 0.254 215 T C 0.686 175.382 174.700 -0.008 0.000 1.041 215 T CA 0.386 62.480 62.100 -0.011 0.000 1.142 215 T CB 0.005 68.868 68.868 -0.008 0.000 0.874 215 T HN 0.427 nan 8.240 nan 0.000 0.452 216 D N 1.049 121.446 120.400 -0.005 0.000 2.454 216 D HA 0.614 5.254 4.640 -0.000 0.000 0.225 216 D C 0.949 177.252 176.300 0.005 0.000 1.081 216 D CA -0.310 53.690 54.000 -0.001 0.000 0.864 216 D CB 1.292 42.090 40.800 -0.003 0.000 1.040 216 D HN 0.281 nan 8.370 nan 0.000 0.517 217 A N 4.313 127.140 122.820 0.012 0.000 2.172 217 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 217 A C 1.618 179.224 177.584 0.038 0.000 1.154 217 A CA 0.939 52.995 52.037 0.031 0.000 0.701 217 A CB -0.118 18.908 19.000 0.043 0.000 0.789 217 A HN 0.531 nan 8.150 nan 0.000 0.465 218 K N -0.530 119.881 120.400 0.019 0.000 2.458 218 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 218 K C 0.651 177.251 176.600 0.000 0.000 1.024 218 K CA 0.339 56.632 56.287 0.010 0.000 1.108 218 K CB 0.164 32.666 32.500 0.004 0.000 0.846 218 K HN 0.324 nan 8.250 nan 0.000 0.518 219 K N 0.840 121.242 120.400 0.003 0.000 2.373 219 K HA 0.136 4.456 4.320 -0.000 0.000 0.202 219 K C -0.378 176.222 176.600 -0.000 0.000 1.025 219 K CA -0.106 56.177 56.287 -0.005 0.000 1.115 219 K CB 1.119 33.615 32.500 -0.006 0.000 0.858 219 K HN -0.141 nan 8.250 nan 0.000 0.525 220 V N 3.171 123.095 119.914 0.016 0.000 2.432 220 V HA 0.144 4.264 4.120 -0.000 0.000 0.271 220 V C 0.005 176.090 176.094 -0.014 0.000 1.046 220 V CA -0.410 61.913 62.300 0.038 0.000 0.945 220 V CB 0.923 32.814 31.823 0.113 0.000 0.992 220 V HN 0.137 nan 8.190 nan 0.000 0.471 221 I N 5.159 125.693 120.570 -0.060 0.000 2.331 221 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 221 I C 0.834 176.884 176.117 -0.111 0.000 0.998 221 I CA -0.027 61.148 61.300 -0.209 0.000 1.267 221 I CB 1.527 39.161 38.000 -0.609 0.000 1.386 221 I HN 0.675 nan 8.210 nan 0.000 0.476 222 T N 1.939 116.424 114.554 -0.116 0.000 2.899 222 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 222 T C 0.167 174.853 174.700 -0.024 0.000 1.004 222 T CA -0.588 61.469 62.100 -0.072 0.000 1.043 222 T CB 1.950 70.745 68.868 -0.123 0.000 1.013 222 T HN 0.623 nan 8.240 nan 0.000 0.518 223 T N 2.931 117.507 114.554 0.037 0.000 3.109 223 T HA 0.538 4.888 4.350 -0.000 0.000 0.311 223 T C -3.079 171.639 174.700 0.030 0.000 1.011 223 T CA -1.480 60.694 62.100 0.124 0.000 1.026 223 T CB 1.542 70.605 68.868 0.325 0.000 1.047 223 T HN 0.581 nan 8.240 nan 0.000 0.448 224 P HA 0.647 nan 4.420 nan 0.000 0.292 224 P C -1.291 175.978 177.300 -0.052 0.000 1.283 224 P CA -0.669 62.316 63.100 -0.191 0.000 0.835 224 P CB 1.361 32.766 31.700 -0.492 0.000 1.017 225 L N 1.516 122.710 121.223 -0.048 0.000 2.422 225 L HA 0.438 4.778 4.340 -0.000 0.000 0.264 225 L C 0.607 177.448 176.870 -0.049 0.000 0.984 225 L CA -0.645 54.188 54.840 -0.011 0.000 0.819 225 L CB 2.329 44.409 42.059 0.036 0.000 1.330 225 L HN 0.348 nan 8.230 nan 0.000 0.410 226 T N -1.377 113.144 114.554 -0.055 0.000 2.926 226 T HA 0.199 4.549 4.350 -0.000 0.000 0.307 226 T C 0.957 175.661 174.700 0.008 0.000 1.059 226 T CA -0.374 61.680 62.100 -0.076 0.000 1.122 226 T CB 1.260 70.076 68.868 -0.085 0.000 0.972 226 T HN 0.502 nan 8.240 nan 0.000 0.545 227 V N -0.735 119.149 119.914 -0.050 0.000 3.647 227 V HA 0.533 4.652 4.120 -0.000 0.000 0.279 227 V C 1.312 177.499 176.094 0.155 0.000 1.314 227 V CA 0.384 62.657 62.300 -0.044 0.000 1.125 227 V CB -1.641 30.058 31.823 -0.207 0.000 0.907 227 V HN 1.592 nan 8.190 nan 0.000 0.434 228 G N 0.557 109.433 108.800 0.126 0.000 2.552 228 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.265 228 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.265 228 G C -0.578 174.404 174.900 0.136 0.000 1.234 228 G CA 0.610 45.797 45.100 0.145 0.000 0.944 228 G HN 1.547 nan 8.290 nan 0.000 0.568 229 Y N -0.901 119.296 120.300 -0.172 0.000 2.401 229 Y HA 0.628 5.178 4.550 -0.000 0.000 0.330 229 Y C -0.634 174.848 175.900 -0.696 0.000 1.071 229 Y CA -1.215 56.707 58.100 -0.296 0.000 1.049 229 Y CB 1.191 39.448 38.460 -0.337 0.000 1.239 229 Y HN 0.526 nan 8.280 nan 0.000 0.437 230 F N 4.018 123.307 119.950 -1.101 0.000 2.815 230 F HA 0.232 4.759 4.527 -0.000 0.000 0.335 230 F C 0.553 175.677 175.800 -1.126 0.000 1.179 230 F CA -0.536 56.879 58.000 -0.975 0.000 1.204 230 F CB 0.475 39.300 39.000 -0.291 0.000 1.050 230 F HN 0.615 nan 8.300 nan 0.000 0.510 231 D N 0.973 120.340 120.400 -1.721 0.000 2.911 231 D HA -0.206 4.434 4.640 -0.000 0.000 0.227 231 D C 1.448 177.524 176.300 -0.373 0.000 1.164 231 D CA 1.685 55.148 54.000 -0.896 0.000 0.782 231 D CB -0.956 39.636 40.800 -0.347 0.000 1.094 231 D HN 0.743 nan 8.370 nan 0.000 0.425 232 G N -0.916 107.669 108.800 -0.358 0.000 2.194 232 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.236 232 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.236 232 G C 1.171 176.007 174.900 -0.107 0.000 0.987 232 G CA 0.597 45.596 45.100 -0.167 0.000 0.635 232 G HN 0.386 nan 8.290 nan 0.000 0.520 233 K N 1.222 121.571 120.400 -0.085 0.000 2.280 233 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 233 K C 1.808 178.339 176.600 -0.115 0.000 1.047 233 K CA 1.644 57.895 56.287 -0.059 0.000 0.942 233 K CB -0.258 32.245 32.500 0.005 0.000 0.739 233 K HN 0.722 nan 8.250 nan 0.000 0.457 234 D N -0.802 119.525 120.400 -0.122 0.000 2.339 234 D HA 0.057 4.696 4.640 -0.000 0.000 0.217 234 D C 1.075 177.317 176.300 -0.097 0.000 1.050 234 D CA 0.642 54.566 54.000 -0.126 0.000 0.856 234 D CB -0.137 40.580 40.800 -0.140 0.000 0.922 234 D HN 0.175 nan 8.370 nan 0.000 0.518 235 G N 0.349 109.096 108.800 -0.089 0.000 2.153 235 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 235 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 235 G C -0.084 174.771 174.900 -0.075 0.000 0.994 235 G CA 0.357 45.412 45.100 -0.074 0.000 0.698 235 G HN 0.406 nan 8.290 nan 0.000 0.521 236 L N -0.158 121.013 121.223 -0.086 0.000 2.322 236 L HA 0.496 4.836 4.340 -0.000 0.000 0.279 236 L C 0.751 177.585 176.870 -0.061 0.000 1.036 236 L CA -1.022 53.769 54.840 -0.083 0.000 0.807 236 L CB 1.351 43.347 42.059 -0.104 0.000 1.226 236 L HN 0.025 nan 8.230 nan 0.000 0.433 237 K N 1.294 121.667 120.400 -0.044 0.000 2.270 237 K HA 0.067 4.387 4.320 -0.000 0.000 0.276 237 K C 0.346 176.953 176.600 0.013 0.000 1.023 237 K CA -0.413 55.865 56.287 -0.015 0.000 0.955 237 K CB 1.123 33.616 32.500 -0.011 0.000 0.975 237 K HN 0.365 nan 8.250 nan 0.000 0.471 238 Q N 1.991 121.823 119.800 0.053 0.000 2.187 238 Q HA -0.147 4.193 4.340 -0.000 0.000 0.199 238 Q C 1.239 177.344 176.000 0.175 0.000 0.957 238 Q CA 1.784 57.661 55.803 0.122 0.000 0.857 238 Q CB 0.134 28.961 28.738 0.148 0.000 0.929 238 Q HN 0.761 nan 8.270 nan 0.000 0.453 239 D N -1.179 119.282 120.400 0.100 0.000 2.348 239 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 239 D C -0.108 176.237 176.300 0.076 0.000 0.998 239 D CA 0.405 54.447 54.000 0.070 0.000 0.873 239 D CB 0.154 40.969 40.800 0.025 0.000 0.925 239 D HN 0.186 nan 8.370 nan 0.000 0.524 240 A N 1.027 123.894 122.820 0.079 0.000 2.327 240 A HA 0.400 4.720 4.320 -0.000 0.000 0.283 240 A C 0.182 177.806 177.584 0.067 0.000 1.127 240 A CA -0.671 51.386 52.037 0.033 0.000 0.810 240 A CB 0.626 19.618 19.000 -0.012 0.000 1.066 240 A HN 0.195 nan 8.150 nan 0.000 0.492 241 R N 2.333 122.841 120.500 0.014 0.000 2.242 241 R HA 0.482 4.822 4.340 -0.000 0.000 0.334 241 R C -1.195 175.055 176.300 -0.084 0.000 1.071 241 R CA 0.071 56.167 56.100 -0.006 0.000 0.922 241 R CB -0.139 30.138 30.300 -0.039 0.000 1.023 241 R HN 0.706 nan 8.270 nan 0.000 0.458 242 L N 5.225 126.367 121.223 -0.136 0.000 2.323 242 L HA 0.658 4.998 4.340 -0.000 0.000 0.265 242 L C -0.686 176.076 176.870 -0.180 0.000 1.012 242 L CA -1.187 53.559 54.840 -0.156 0.000 0.820 242 L CB 2.031 43.991 42.059 -0.165 0.000 1.334 242 L HN 0.513 nan 8.230 nan 0.000 0.427 243 L N 1.190 122.301 121.223 -0.186 0.000 2.513 243 L HA 0.432 4.772 4.340 -0.000 0.000 0.261 243 L C -0.934 175.807 176.870 -0.215 0.000 0.945 243 L CA -0.710 54.011 54.840 -0.198 0.000 0.848 243 L CB 2.812 44.751 42.059 -0.200 0.000 1.334 243 L HN 0.533 nan 8.230 nan 0.000 0.407 244 K N 1.385 121.642 120.400 -0.238 0.000 2.098 244 K HA 0.661 4.981 4.320 -0.000 0.000 0.261 244 K C -1.079 175.432 176.600 -0.149 0.000 0.987 244 K CA -0.658 55.467 56.287 -0.271 0.000 0.916 244 K CB 2.271 34.438 32.500 -0.554 0.000 1.039 244 K HN 0.210 nan 8.250 nan 0.000 0.455 245 V N 4.581 124.418 119.914 -0.129 0.000 2.378 245 V HA 0.281 4.401 4.120 -0.000 0.000 0.288 245 V C -0.203 175.867 176.094 -0.041 0.000 1.016 245 V CA -0.916 61.328 62.300 -0.094 0.000 0.840 245 V CB 1.129 32.857 31.823 -0.158 0.000 0.994 245 V HN 0.595 nan 8.190 nan 0.000 0.431 246 I N 3.178 123.731 120.570 -0.028 0.000 2.566 246 I HA 0.583 4.753 4.170 -0.000 0.000 0.303 246 I C 0.503 176.553 176.117 -0.111 0.000 0.983 246 I CA 0.147 61.390 61.300 -0.094 0.000 1.235 246 I CB 1.907 39.822 38.000 -0.142 0.000 1.386 246 I HN 0.580 nan 8.210 nan 0.000 0.494 247 S N 3.724 119.269 115.700 -0.259 0.000 2.548 247 S HA 0.767 5.237 4.470 -0.000 0.000 0.286 247 S C -1.263 173.071 174.600 -0.443 0.000 1.098 247 S CA -0.460 57.637 58.200 -0.172 0.000 0.930 247 S CB 2.045 65.280 63.200 0.058 0.000 1.070 247 S HN 0.357 nan 8.310 nan 0.000 0.480 248 Y N 0.380 120.701 120.300 0.035 0.000 2.669 248 Y HA 0.706 5.256 4.550 -0.000 0.000 0.335 248 Y C -0.789 175.155 175.900 0.073 0.000 1.116 248 Y CA -1.160 57.001 58.100 0.101 0.000 1.081 248 Y CB 0.926 39.498 38.460 0.185 0.000 1.297 248 Y HN 0.496 nan 8.280 nan 0.000 0.484 249 L N 2.037 123.447 121.223 0.311 0.000 2.298 249 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 249 L C -0.805 176.142 176.870 0.128 0.000 1.013 249 L CA -0.435 54.497 54.840 0.153 0.000 0.824 249 L CB 0.777 42.890 42.059 0.091 0.000 1.221 249 L HN 0.553 nan 8.230 nan 0.000 0.418 250 D N 3.297 123.736 120.400 0.066 0.000 2.371 250 D HA 0.100 4.739 4.640 -0.000 0.000 0.256 250 D C 0.691 176.966 176.300 -0.042 0.000 1.193 250 D CA 0.309 54.335 54.000 0.044 0.000 0.881 250 D CB 1.313 42.122 40.800 0.015 0.000 1.143 250 D HN 0.419 nan 8.370 nan 0.000 0.473 251 V N 1.357 121.205 119.914 -0.110 0.000 3.477 251 V HA 0.484 4.604 4.120 -0.000 0.000 0.297 251 V C 1.091 177.146 176.094 -0.066 0.000 1.433 251 V CA 0.526 62.739 62.300 -0.145 0.000 1.052 251 V CB 0.149 31.783 31.823 -0.316 0.000 0.895 251 V HN 0.713 nan 8.190 nan 0.000 0.438 252 G N 2.035 110.822 108.800 -0.022 0.000 2.159 252 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.227 252 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.227 252 G C 0.232 175.126 174.900 -0.010 0.000 0.986 252 G CA 0.406 45.500 45.100 -0.011 0.000 0.651 252 G HN 0.797 nan 8.290 nan 0.000 0.523 253 D N 0.110 120.519 120.400 0.014 0.000 2.339 253 D HA 0.377 5.017 4.640 -0.000 0.000 0.217 253 D C 1.783 178.023 176.300 -0.100 0.000 1.050 253 D CA 0.479 54.472 54.000 -0.011 0.000 0.856 253 D CB -0.536 40.307 40.800 0.071 0.000 0.922 253 D HN 1.541 nan 8.370 nan 0.000 0.518 254 G N 0.850 109.613 108.800 -0.063 0.000 2.153 254 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 254 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 254 G C 0.167 174.975 174.900 -0.152 0.000 0.994 254 G CA 0.254 45.281 45.100 -0.120 0.000 0.698 254 G HN 0.574 nan 8.290 nan 0.000 0.521 255 N N -0.301 118.379 118.700 -0.032 0.000 2.711 255 N HA 0.324 5.064 4.740 -0.000 0.000 0.263 255 N C 1.004 176.538 175.510 0.040 0.000 1.667 255 N CA -0.380 52.673 53.050 0.006 0.000 0.785 255 N CB -0.153 38.317 38.487 -0.027 0.000 1.231 255 N HN 0.365 nan 8.380 nan 0.000 0.503 256 Y N -0.990 119.302 120.300 -0.013 0.000 2.384 256 Y HA 0.013 4.563 4.550 -0.000 0.000 0.289 256 Y C 1.150 176.928 175.900 -0.202 0.000 1.152 256 Y CA 0.554 58.634 58.100 -0.034 0.000 1.258 256 Y CB -0.652 37.680 38.460 -0.213 0.000 0.979 256 Y HN 0.251 nan 8.280 nan 0.000 0.549 257 W N 1.216 122.203 121.300 -0.522 0.000 2.364 257 W HA -0.023 4.637 4.660 -0.000 0.000 0.281 257 W C 2.285 178.845 176.519 0.069 0.000 1.219 257 W CA 1.229 58.283 57.345 -0.486 0.000 1.220 257 W CB -0.315 28.905 29.460 -0.400 0.000 1.127 257 W HN 0.161 nan 8.180 nan 0.000 0.556 258 A N -0.631 122.290 122.820 0.168 0.000 2.276 258 A HA 0.036 4.356 4.320 -0.000 0.000 0.212 258 A C 0.073 177.533 177.584 -0.206 0.000 1.230 258 A CA 0.477 52.608 52.037 0.156 0.000 0.844 258 A CB -0.689 18.240 19.000 -0.117 0.000 0.860 258 A HN 0.313 nan 8.150 nan 0.000 0.486 259 H N 0.108 119.448 119.070 0.449 0.000 2.514 259 H HA 0.226 4.782 4.556 -0.000 0.000 0.226 259 H C -3.082 172.495 175.328 0.415 0.000 1.421 259 H CA -1.972 54.294 56.048 0.363 0.000 1.394 259 H CB 0.162 30.089 29.762 0.275 0.000 1.701 259 H HN 0.293 nan 8.280 nan 0.000 0.515 260 P HA 0.170 nan 4.420 nan 0.000 0.275 260 P C 0.402 177.744 177.300 0.071 0.000 1.228 260 P CA -0.291 62.913 63.100 0.174 0.000 0.786 260 P CB 1.658 33.475 31.700 0.195 0.000 0.927 261 I N 1.739 122.267 120.570 -0.070 0.000 2.395 261 I HA 0.189 4.358 4.170 -0.000 0.000 0.282 261 I C 0.937 177.023 176.117 -0.051 0.000 1.107 261 I CA -0.588 60.688 61.300 -0.039 0.000 1.210 261 I CB 0.097 38.063 38.000 -0.058 0.000 1.456 261 I HN 0.250 nan 8.210 nan 0.000 0.504 262 E N 4.928 125.133 120.200 0.009 0.000 2.398 262 E HA 0.065 4.415 4.350 -0.000 0.000 0.263 262 E C 0.556 177.175 176.600 0.032 0.000 1.046 262 E CA 0.583 57.011 56.400 0.046 0.000 0.908 262 E CB 0.347 30.114 29.700 0.113 0.000 0.963 262 E HN 0.437 nan 8.360 nan 0.000 0.431 263 N N 0.970 119.702 118.700 0.054 0.000 2.800 263 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 263 N C -1.032 174.485 175.510 0.012 0.000 1.078 263 N CA 0.627 53.709 53.050 0.053 0.000 0.804 263 N CB -1.347 37.174 38.487 0.057 0.000 1.135 263 N HN 0.287 nan 8.380 nan 0.000 0.565 264 L N 0.660 121.873 121.223 -0.017 0.000 2.324 264 L HA 0.568 4.908 4.340 -0.000 0.000 0.274 264 L C -0.819 176.055 176.870 0.007 0.000 1.012 264 L CA -0.795 54.028 54.840 -0.029 0.000 0.859 264 L CB 1.681 43.687 42.059 -0.088 0.000 1.224 264 L HN -0.099 nan 8.230 nan 0.000 0.429 265 V N 4.366 124.293 119.914 0.023 0.000 2.495 265 V HA 0.890 5.010 4.120 -0.000 0.000 0.298 265 V C 0.095 176.202 176.094 0.021 0.000 1.031 265 V CA -0.380 61.928 62.300 0.015 0.000 0.871 265 V CB 1.543 33.360 31.823 -0.010 0.000 0.988 265 V HN 0.899 nan 8.190 nan 0.000 0.432 266 A N 4.424 127.251 122.820 0.012 0.000 2.331 266 A HA 0.852 5.172 4.320 -0.000 0.000 0.320 266 A C -0.847 176.665 177.584 -0.121 0.000 1.138 266 A CA -0.552 51.478 52.037 -0.012 0.000 0.790 266 A CB 1.599 20.602 19.000 0.006 0.000 1.206 266 A HN 0.648 nan 8.150 nan 0.000 0.470 267 V N 2.917 122.755 119.914 -0.127 0.000 2.370 267 V HA 0.422 4.542 4.120 -0.000 0.000 0.279 267 V C -0.271 175.738 176.094 -0.141 0.000 1.029 267 V CA -0.421 61.780 62.300 -0.166 0.000 0.870 267 V CB 1.290 33.014 31.823 -0.166 0.000 0.984 267 V HN 0.618 nan 8.190 nan 0.000 0.451 268 V N 3.951 123.772 119.914 -0.156 0.000 2.448 268 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 268 V C -0.282 175.736 176.094 -0.127 0.000 1.025 268 V CA -0.569 61.647 62.300 -0.140 0.000 0.859 268 V CB 1.944 33.672 31.823 -0.159 0.000 0.988 268 V HN 0.885 nan 8.190 nan 0.000 0.431 269 D N 4.384 124.722 120.400 -0.104 0.000 2.347 269 D HA 0.239 4.879 4.640 -0.000 0.000 0.235 269 D C 0.852 177.099 176.300 -0.087 0.000 1.149 269 D CA -0.144 53.802 54.000 -0.091 0.000 0.850 269 D CB 1.588 42.345 40.800 -0.073 0.000 1.061 269 D HN 0.447 nan 8.370 nan 0.000 0.487 270 L N 2.936 124.104 121.223 -0.093 0.000 2.465 270 L HA -0.024 4.316 4.340 -0.000 0.000 0.224 270 L C 2.057 178.884 176.870 -0.073 0.000 1.145 270 L CA 0.627 55.414 54.840 -0.088 0.000 0.834 270 L CB 0.107 42.108 42.059 -0.096 0.000 0.944 270 L HN 0.388 nan 8.230 nan 0.000 0.451 271 E N -0.590 119.568 120.200 -0.070 0.000 2.340 271 E HA -0.030 4.320 4.350 -0.000 0.000 0.198 271 E C 1.773 178.345 176.600 -0.047 0.000 0.961 271 E CA 0.309 56.672 56.400 -0.061 0.000 0.905 271 E CB 0.337 29.993 29.700 -0.073 0.000 0.884 271 E HN 0.560 nan 8.360 nan 0.000 0.491 272 Q N 0.597 120.368 119.800 -0.048 0.000 2.432 272 Q HA 0.053 4.393 4.340 -0.000 0.000 0.205 272 Q C -0.130 175.845 176.000 -0.042 0.000 0.945 272 Q CA 0.122 55.901 55.803 -0.040 0.000 0.924 272 Q CB 0.159 28.873 28.738 -0.040 0.000 1.016 272 Q HN 0.037 nan 8.270 nan 0.000 0.503 273 K N 1.516 121.886 120.400 -0.051 0.000 3.257 273 K HA -0.213 4.107 4.320 -0.000 0.000 0.270 273 K C -0.854 175.712 176.600 -0.056 0.000 0.984 273 K CA 0.875 57.130 56.287 -0.054 0.000 0.739 273 K CB -1.267 31.209 32.500 -0.041 0.000 1.351 273 K HN 0.327 nan 8.250 nan 0.000 0.463 274 K N -1.191 119.171 120.400 -0.064 0.000 2.607 274 K HA 0.372 4.692 4.320 -0.000 0.000 0.287 274 K C -0.651 175.903 176.600 -0.075 0.000 0.996 274 K CA -1.107 55.141 56.287 -0.065 0.000 0.876 274 K CB 1.060 33.532 32.500 -0.047 0.000 1.496 274 K HN 0.002 nan 8.250 nan 0.000 0.415 275 I N 2.703 123.228 120.570 -0.076 0.000 2.587 275 I HA -0.043 4.127 4.170 -0.000 0.000 0.284 275 I C 1.221 177.305 176.117 -0.054 0.000 1.134 275 I CA -0.344 60.912 61.300 -0.074 0.000 1.410 275 I CB 1.160 39.126 38.000 -0.057 0.000 1.392 275 I HN 0.572 nan 8.210 nan 0.000 0.545 276 V N 2.861 122.737 119.914 -0.063 0.000 3.483 276 V HA 0.356 4.476 4.120 -0.000 0.000 0.301 276 V C 0.278 176.341 176.094 -0.051 0.000 1.389 276 V CA 0.096 62.364 62.300 -0.054 0.000 1.101 276 V CB -0.510 31.277 31.823 -0.061 0.000 0.971 276 V HN 0.852 nan 8.190 nan 0.000 0.434 277 K N 0.511 120.881 120.400 -0.050 0.000 2.609 277 K HA 0.502 4.822 4.320 -0.000 0.000 0.261 277 K C -2.017 174.564 176.600 -0.031 0.000 0.945 277 K CA -0.569 55.691 56.287 -0.045 0.000 0.898 277 K CB 1.880 34.339 32.500 -0.068 0.000 1.349 277 K HN 0.260 nan 8.250 nan 0.000 0.420 278 I N 3.527 124.091 120.570 -0.010 0.000 2.406 278 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 278 I C -0.512 175.602 176.117 -0.006 0.000 0.999 278 I CA -0.750 60.558 61.300 0.013 0.000 1.124 278 I CB 2.010 40.035 38.000 0.041 0.000 1.289 278 I HN 0.529 nan 8.210 nan 0.000 0.441 279 E N 6.433 126.629 120.200 -0.006 0.000 2.158 279 E HA 0.435 4.785 4.350 -0.000 0.000 0.271 279 E C -1.100 175.501 176.600 0.002 0.000 0.911 279 E CA -0.664 55.734 56.400 -0.003 0.000 0.767 279 E CB 2.106 31.807 29.700 0.001 0.000 1.120 279 E HN 0.506 nan 8.360 nan 0.000 0.405 280 E N 1.323 121.522 120.200 -0.002 0.000 2.256 280 E HA 0.644 4.994 4.350 -0.000 0.000 0.267 280 E C -0.334 176.271 176.600 0.008 0.000 0.892 280 E CA -0.951 55.444 56.400 -0.007 0.000 0.775 280 E CB 2.342 32.026 29.700 -0.025 0.000 1.207 280 E HN 0.552 nan 8.360 nan 0.000 0.420 281 G N 1.251 110.059 108.800 0.013 0.000 2.921 281 G HA2 0.508 4.468 3.960 -0.000 0.000 0.291 281 G HA3 0.508 4.468 3.960 -0.000 0.000 0.291 281 G C -2.773 172.138 174.900 0.018 0.000 1.370 281 G CA -1.322 43.794 45.100 0.025 0.000 0.847 281 G HN 0.241 nan 8.290 nan 0.000 0.532 282 P HA 0.152 nan 4.420 nan 0.000 0.263 282 P C -0.010 177.300 177.300 0.017 0.000 1.168 282 P CA -0.195 62.917 63.100 0.020 0.000 0.759 282 P CB 0.577 32.294 31.700 0.028 0.000 0.782 283 V N 4.640 124.559 119.914 0.007 0.000 2.555 283 V HA 0.115 4.235 4.120 -0.000 0.000 0.286 283 V C 0.461 176.563 176.094 0.013 0.000 1.044 283 V CA 0.171 62.472 62.300 0.002 0.000 1.026 283 V CB 1.092 32.911 31.823 -0.006 0.000 0.981 283 V HN 0.221 nan 8.190 nan 0.000 0.480 284 V N 6.878 126.803 119.914 0.019 0.000 2.531 284 V HA 0.370 4.489 4.120 -0.000 0.000 0.301 284 V C -2.359 173.755 176.094 0.033 0.000 1.034 284 V CA -1.971 60.347 62.300 0.030 0.000 0.865 284 V CB 1.890 33.740 31.823 0.045 0.000 0.995 284 V HN 0.749 nan 8.190 nan 0.000 0.424 285 P HA 0.059 nan 4.420 nan 0.000 0.261 285 P C -0.210 177.129 177.300 0.065 0.000 1.183 285 P CA 0.131 63.255 63.100 0.042 0.000 0.761 285 P CB 0.319 32.043 31.700 0.040 0.000 0.785 286 V N 7.279 127.236 119.914 0.071 0.000 2.599 286 V HA 0.042 4.162 4.120 -0.000 0.000 0.300 286 V C -1.771 174.413 176.094 0.150 0.000 1.034 286 V CA -0.954 61.414 62.300 0.113 0.000 1.115 286 V CB -0.006 31.881 31.823 0.107 0.000 0.934 286 V HN 0.562 nan 8.190 nan 0.000 0.485 287 P HA 0.200 nan 4.420 nan 0.000 0.271 287 P C 0.379 177.889 177.300 0.350 0.000 1.226 287 P CA -0.096 63.148 63.100 0.239 0.000 0.765 287 P CB 0.557 32.398 31.700 0.236 0.000 0.835 288 M N 0.080 119.831 119.600 0.251 0.000 2.567 288 M HA 0.057 4.537 4.480 -0.000 0.000 0.261 288 M C 0.353 176.793 176.300 0.233 0.000 1.180 288 M CA 0.728 56.135 55.300 0.178 0.000 1.143 288 M CB -0.895 31.755 32.600 0.083 0.000 1.319 288 M HN 0.177 nan 8.290 nan 0.000 0.490 289 T N 2.439 117.156 114.554 0.271 0.000 2.871 289 T HA 0.252 4.602 4.350 -0.000 0.000 0.296 289 T C 0.445 175.339 174.700 0.324 0.000 0.998 289 T CA -0.213 62.034 62.100 0.244 0.000 1.162 289 T CB 0.338 69.345 68.868 0.231 0.000 0.947 289 T HN 0.353 nan 8.240 nan 0.000 0.536 290 A N 4.394 127.343 122.820 0.215 0.000 2.548 290 A HA 0.301 4.621 4.320 -0.000 0.000 0.247 290 A C 0.746 178.416 177.584 0.142 0.000 1.067 290 A CA -0.139 52.014 52.037 0.193 0.000 0.757 290 A CB 0.131 19.186 19.000 0.092 0.000 0.996 290 A HN 0.653 nan 8.150 nan 0.000 0.504 291 R N 2.822 123.385 120.500 0.104 0.000 2.738 291 R HA 0.280 4.620 4.340 -0.000 0.000 0.280 291 R C -3.030 173.198 176.300 -0.121 0.000 1.456 291 R CA -1.860 54.221 56.100 -0.032 0.000 1.612 291 R CB 0.563 30.803 30.300 -0.099 0.000 1.286 291 R HN 0.557 nan 8.270 nan 0.000 0.660 292 P HA 0.133 nan 4.420 nan 0.000 0.274 292 P C 0.117 177.287 177.300 -0.215 0.000 1.237 292 P CA -0.201 62.744 63.100 -0.259 0.000 0.793 292 P CB 0.434 32.009 31.700 -0.208 0.000 0.977 293 F N -0.872 119.003 119.950 -0.125 0.000 2.798 293 F HA 0.282 4.809 4.527 -0.000 0.000 0.328 293 F C 0.747 176.489 175.800 -0.096 0.000 1.098 293 F CA -0.463 57.452 58.000 -0.142 0.000 1.172 293 F CB -0.855 38.030 39.000 -0.191 0.000 1.072 293 F HN 0.100 nan 8.300 nan 0.000 0.555 294 D N -0.079 120.222 120.400 -0.165 0.000 2.340 294 D HA 0.284 4.924 4.640 -0.000 0.000 0.217 294 D C 1.832 178.119 176.300 -0.022 0.000 1.081 294 D CA 0.530 54.519 54.000 -0.019 0.000 0.842 294 D CB 0.146 40.849 40.800 -0.163 0.000 0.934 294 D HN 0.482 nan 8.370 nan 0.000 0.511 295 G N 1.931 110.711 108.800 -0.034 0.000 2.194 295 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.236 295 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.236 295 G C 1.289 176.169 174.900 -0.032 0.000 0.987 295 G CA 0.381 45.469 45.100 -0.020 0.000 0.635 295 G HN 0.547 nan 8.290 nan 0.000 0.520 296 R N 0.801 121.268 120.500 -0.055 0.000 2.154 296 R HA -0.114 4.226 4.340 -0.000 0.000 0.248 296 R C 1.322 177.602 176.300 -0.032 0.000 1.155 296 R CA 2.150 58.222 56.100 -0.047 0.000 0.979 296 R CB -0.544 29.717 30.300 -0.066 0.000 0.869 296 R HN 0.467 nan 8.270 nan 0.000 0.452 297 D N -0.214 120.167 120.400 -0.032 0.000 2.463 297 D HA 0.141 4.781 4.640 -0.000 0.000 0.224 297 D C -0.190 176.104 176.300 -0.010 0.000 1.174 297 D CA -0.368 53.620 54.000 -0.018 0.000 0.829 297 D CB 0.270 41.059 40.800 -0.018 0.000 0.993 297 D HN 0.081 nan 8.370 nan 0.000 0.497 298 R N -0.558 119.936 120.500 -0.010 0.000 2.836 298 R HA 0.658 4.998 4.340 -0.000 0.000 0.269 298 R C -1.249 175.050 176.300 -0.002 0.000 1.010 298 R CA -0.995 55.103 56.100 -0.004 0.000 0.930 298 R CB 2.366 32.664 30.300 -0.003 0.000 1.218 298 R HN -0.121 nan 8.270 nan 0.000 0.473 299 V N 1.178 121.092 119.914 0.001 0.000 2.447 299 V HA 0.417 4.537 4.120 -0.000 0.000 0.292 299 V C 0.091 176.187 176.094 0.003 0.000 1.021 299 V CA -1.015 61.286 62.300 0.002 0.000 0.850 299 V CB 1.498 33.323 31.823 0.003 0.000 1.005 299 V HN 0.934 nan 8.190 nan 0.000 0.426 300 A N 6.957 129.779 122.820 0.003 0.000 2.445 300 A HA 0.696 5.016 4.320 -0.000 0.000 0.242 300 A C -2.077 175.509 177.584 0.004 0.000 1.075 300 A CA -0.736 51.303 52.037 0.004 0.000 0.777 300 A CB -0.233 18.768 19.000 0.003 0.000 1.013 300 A HN 0.687 nan 8.150 nan 0.000 0.493 301 P HA 0.457 nan 4.420 nan 0.000 0.280 301 P C -0.098 177.204 177.300 0.004 0.000 1.244 301 P CA -0.126 62.977 63.100 0.005 0.000 0.784 301 P CB 0.943 32.646 31.700 0.005 0.000 0.913 302 A N 2.537 125.360 122.820 0.005 0.000 2.507 302 A HA 0.396 4.716 4.320 -0.000 0.000 0.235 302 A C -0.142 177.445 177.584 0.004 0.000 1.070 302 A CA 0.236 52.276 52.037 0.004 0.000 0.768 302 A CB -0.012 18.991 19.000 0.005 0.000 1.011 302 A HN 0.419 nan 8.150 nan 0.000 0.502 303 V N 3.147 123.063 119.914 0.004 0.000 2.817 303 V HA 0.224 4.344 4.120 -0.000 0.000 0.303 303 V C -0.543 175.552 176.094 0.003 0.000 1.151 303 V CA -1.115 61.186 62.300 0.002 0.000 0.929 303 V CB 2.168 33.992 31.823 0.002 0.000 1.030 303 V HN 0.971 nan 8.190 nan 0.000 0.427 304 K N 4.600 125.000 120.400 0.001 0.000 2.382 304 K HA 0.304 4.623 4.320 -0.000 0.000 0.275 304 K C -2.169 174.432 176.600 0.002 0.000 1.009 304 K CA -1.049 55.238 56.287 0.001 0.000 0.970 304 K CB 0.483 32.981 32.500 -0.002 0.000 0.934 304 K HN 0.466 nan 8.250 nan 0.000 0.479 305 P HA 0.138 nan 4.420 nan 0.000 0.272 305 P C -0.626 176.677 177.300 0.006 0.000 1.223 305 P CA -0.214 62.891 63.100 0.007 0.000 0.784 305 P CB 0.700 32.408 31.700 0.012 0.000 0.923 306 M N 1.806 121.410 119.600 0.007 0.000 2.267 306 M HA 0.285 4.765 4.480 -0.000 0.000 0.289 306 M C -1.505 174.803 176.300 0.014 0.000 1.043 306 M CA -0.346 54.958 55.300 0.006 0.000 0.928 306 M CB 2.129 34.729 32.600 -0.000 0.000 1.613 306 M HN 0.300 nan 8.290 nan 0.000 0.450 307 Q N 4.567 124.381 119.800 0.023 0.000 2.365 307 Q HA 0.638 4.978 4.340 -0.000 0.000 0.269 307 Q C -1.297 174.728 176.000 0.041 0.000 1.061 307 Q CA -0.731 55.095 55.803 0.040 0.000 0.816 307 Q CB 3.268 32.044 28.738 0.064 0.000 1.325 307 Q HN 0.738 nan 8.270 nan 0.000 0.446 308 I N 4.278 124.877 120.570 0.049 0.000 2.354 308 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 308 I C -0.265 175.905 176.117 0.089 0.000 1.007 308 I CA -0.663 60.670 61.300 0.054 0.000 1.167 308 I CB 0.672 38.700 38.000 0.046 0.000 1.320 308 I HN 0.497 nan 8.210 nan 0.000 0.458 309 I N 2.674 123.293 120.570 0.081 0.000 2.530 309 I HA 0.584 4.754 4.170 -0.000 0.000 0.297 309 I C -0.721 175.398 176.117 0.004 0.000 1.011 309 I CA -0.522 60.840 61.300 0.104 0.000 1.107 309 I CB 2.057 40.136 38.000 0.132 0.000 1.285 309 I HN 0.517 nan 8.210 nan 0.000 0.436 310 E N 6.315 126.506 120.200 -0.014 0.000 2.795 310 E HA 0.261 4.611 4.350 -0.000 0.000 0.226 310 E C -2.140 174.318 176.600 -0.236 0.000 1.088 310 E CA -1.573 54.777 56.400 -0.083 0.000 0.812 310 E CB 1.321 31.021 29.700 0.000 0.000 1.328 310 E HN 0.550 nan 8.360 nan 0.000 0.410 311 P HA -0.118 nan 4.420 nan 0.000 0.230 311 P C 0.282 177.380 177.300 -0.337 0.000 1.158 311 P CA 0.931 63.486 63.100 -0.909 0.000 0.769 311 P CB 0.363 31.575 31.700 -0.813 0.000 0.807 312 E N -0.360 119.730 120.200 -0.184 0.000 2.499 312 E HA 0.370 4.720 4.350 -0.000 0.000 0.199 312 E C 0.832 177.400 176.600 -0.053 0.000 1.016 312 E CA -0.151 56.197 56.400 -0.087 0.000 0.933 312 E CB 0.196 29.852 29.700 -0.072 0.000 1.050 312 E HN 0.139 nan 8.360 nan 0.000 0.462 313 G N 1.472 110.246 108.800 -0.043 0.000 2.660 313 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.215 313 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.215 313 G C -0.659 174.186 174.900 -0.091 0.000 1.345 313 G CA -0.841 44.238 45.100 -0.035 0.000 0.877 313 G HN -0.007 nan 8.290 nan 0.000 0.549 314 K N 0.371 120.659 120.400 -0.186 0.000 2.106 314 K HA 0.464 4.784 4.320 -0.000 0.000 0.246 314 K C 1.131 177.585 176.600 -0.244 0.000 0.987 314 K CA -1.011 55.061 56.287 -0.358 0.000 0.904 314 K CB 0.815 32.740 32.500 -0.958 0.000 1.071 314 K HN 0.448 nan 8.250 nan 0.000 0.453 315 N N 0.459 119.080 118.700 -0.132 0.000 2.424 315 N HA -0.028 4.712 4.740 -0.000 0.000 0.178 315 N C 0.102 175.730 175.510 0.196 0.000 1.060 315 N CA 0.518 53.615 53.050 0.080 0.000 0.901 315 N CB 0.060 38.695 38.487 0.247 0.000 0.979 315 N HN 0.496 nan 8.380 nan 0.000 0.451 316 Y N -0.748 119.716 120.300 0.272 0.000 2.403 316 Y HA 0.657 5.207 4.550 -0.000 0.000 0.323 316 Y C 0.043 175.967 175.900 0.040 0.000 1.226 316 Y CA -0.857 57.360 58.100 0.195 0.000 1.235 316 Y CB 0.617 39.128 38.460 0.086 0.000 1.248 316 Y HN -0.358 nan 8.280 nan 0.000 0.489 317 T N 3.512 118.188 114.554 0.204 0.000 2.928 317 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 317 T C -0.790 173.901 174.700 -0.014 0.000 1.000 317 T CA -0.564 61.567 62.100 0.051 0.000 0.989 317 T CB 0.535 69.450 68.868 0.079 0.000 1.005 317 T HN 0.584 nan 8.240 nan 0.000 0.442 318 I N 3.426 123.895 120.570 -0.168 0.000 2.328 318 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 318 I C 0.149 176.238 176.117 -0.047 0.000 1.012 318 I CA -0.481 60.701 61.300 -0.196 0.000 1.195 318 I CB 1.203 38.953 38.000 -0.416 0.000 1.350 318 I HN 0.481 nan 8.210 nan 0.000 0.464 319 T N 5.336 119.891 114.554 0.001 0.000 2.801 319 T HA 0.466 4.816 4.350 -0.000 0.000 0.306 319 T C 0.902 175.651 174.700 0.081 0.000 1.020 319 T CA 0.229 62.368 62.100 0.065 0.000 0.948 319 T CB 1.414 70.316 68.868 0.056 0.000 0.962 319 T HN 1.016 nan 8.240 nan 0.000 0.465 320 G N 4.288 113.156 108.800 0.115 0.000 2.686 320 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.329 320 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.329 320 G C 0.410 175.338 174.900 0.046 0.000 1.187 320 G CA 0.675 45.833 45.100 0.095 0.000 0.965 320 G HN 0.656 nan 8.290 nan 0.000 0.549 321 D N 0.997 121.383 120.400 -0.023 0.000 2.431 321 D HA 0.277 4.917 4.640 -0.000 0.000 0.213 321 D C 0.939 177.059 176.300 -0.300 0.000 1.130 321 D CA 0.025 53.891 54.000 -0.222 0.000 0.834 321 D CB 0.284 40.812 40.800 -0.454 0.000 0.985 321 D HN 0.359 nan 8.370 nan 0.000 0.504 322 M N 1.015 120.553 119.600 -0.102 0.000 2.180 322 M HA 0.326 4.805 4.480 -0.000 0.000 0.358 322 M C -0.246 175.921 176.300 -0.223 0.000 1.233 322 M CA -0.028 55.210 55.300 -0.104 0.000 1.114 322 M CB 1.716 34.361 32.600 0.076 0.000 1.594 322 M HN -0.274 nan 8.290 nan 0.000 0.467 323 I N 2.424 122.709 120.570 -0.475 0.000 2.378 323 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 323 I C -0.628 175.253 176.117 -0.394 0.000 0.992 323 I CA -0.590 60.368 61.300 -0.570 0.000 1.154 323 I CB 1.373 38.722 38.000 -1.085 0.000 1.315 323 I HN 0.589 nan 8.210 nan 0.000 0.448 324 H N 5.640 124.604 119.070 -0.175 0.000 2.505 324 H HA 0.480 5.036 4.556 -0.000 0.000 0.338 324 H C -1.921 173.511 175.328 0.173 0.000 1.057 324 H CA -0.608 55.433 56.048 -0.011 0.000 1.202 324 H CB 1.122 30.884 29.762 -0.000 0.000 1.466 324 H HN 0.602 nan 8.280 nan 0.000 0.499 325 W N 8.804 129.799 121.300 -0.508 0.000 3.036 325 W HA 0.397 5.057 4.660 -0.000 0.000 0.337 325 W C -0.662 175.701 176.519 -0.260 0.000 1.055 325 W CA -0.565 56.616 57.345 -0.273 0.000 1.248 325 W CB 0.597 30.052 29.460 -0.007 0.000 1.335 325 W HN 0.927 nan 8.180 nan 0.000 0.446 326 R N 2.077 122.068 120.500 -0.848 0.000 3.869 326 R HA -0.348 3.992 4.340 -0.000 0.000 0.424 326 R C 0.646 176.618 176.300 -0.548 0.000 0.241 326 R CA 1.814 57.466 56.100 -0.747 0.000 1.351 326 R CB -1.262 28.394 30.300 -1.073 0.000 0.979 326 R HN 0.630 nan 8.270 nan 0.000 0.572 327 N N 0.430 118.774 118.700 -0.594 0.000 2.398 327 N HA 0.042 4.782 4.740 -0.000 0.000 0.188 327 N C -0.031 175.065 175.510 -0.689 0.000 1.122 327 N CA 0.457 53.063 53.050 -0.740 0.000 0.866 327 N CB 0.055 37.756 38.487 -1.310 0.000 0.970 327 N HN 0.199 nan 8.380 nan 0.000 0.462 328 W N 1.281 122.454 121.300 -0.213 0.000 2.438 328 W HA 0.363 5.023 4.660 -0.000 0.000 0.324 328 W C -0.055 176.511 176.519 0.078 0.000 1.119 328 W CA -0.625 56.757 57.345 0.063 0.000 1.221 328 W CB 1.149 30.778 29.460 0.282 0.000 1.253 328 W HN -0.233 nan 8.180 nan 0.000 0.555 329 D N 2.874 123.558 120.400 0.473 0.000 2.780 329 D HA 0.495 5.135 4.640 -0.000 0.000 0.242 329 D C -0.928 175.627 176.300 0.425 0.000 1.135 329 D CA -0.311 53.879 54.000 0.318 0.000 0.859 329 D CB 2.308 43.275 40.800 0.278 0.000 1.530 329 D HN 0.243 nan 8.370 nan 0.000 0.493 330 F N -1.315 118.682 119.950 0.078 0.000 2.773 330 F HA 0.395 4.922 4.527 -0.000 0.000 0.314 330 F C -1.450 174.329 175.800 -0.035 0.000 1.160 330 F CA -1.026 56.984 58.000 0.018 0.000 0.920 330 F CB 1.724 40.672 39.000 -0.087 0.000 1.323 330 F HN 0.199 nan 8.300 nan 0.000 0.457 331 H N 1.899 120.955 119.070 -0.024 0.000 2.505 331 H HA 0.651 5.206 4.556 -0.000 0.000 0.338 331 H C -2.032 173.195 175.328 -0.168 0.000 1.057 331 H CA -0.764 55.130 56.048 -0.256 0.000 1.202 331 H CB 2.143 31.557 29.762 -0.580 0.000 1.466 331 H HN 0.817 nan 8.280 nan 0.000 0.499 332 L N 5.416 126.261 121.223 -0.629 0.000 2.316 332 L HA 0.327 4.667 4.340 -0.000 0.000 0.280 332 L C -0.778 175.776 176.870 -0.527 0.000 1.006 332 L CA -0.163 54.428 54.840 -0.415 0.000 0.836 332 L CB 1.029 42.950 42.059 -0.230 0.000 1.221 332 L HN 0.657 nan 8.230 nan 0.000 0.418 333 S N 4.077 119.543 115.700 -0.390 0.000 2.709 333 S HA 0.867 5.337 4.470 -0.000 0.000 0.302 333 S C -0.674 173.777 174.600 -0.248 0.000 1.127 333 S CA -0.921 57.111 58.200 -0.279 0.000 0.905 333 S CB 1.761 64.873 63.200 -0.146 0.000 1.151 333 S HN 0.601 nan 8.310 nan 0.000 0.510 334 M N 2.629 122.115 119.600 -0.191 0.000 2.253 334 M HA 0.470 4.950 4.480 -0.000 0.000 0.314 334 M C -1.111 175.099 176.300 -0.151 0.000 1.019 334 M CA -0.443 54.734 55.300 -0.205 0.000 0.932 334 M CB 1.632 34.139 32.600 -0.154 0.000 1.606 334 M HN 0.877 nan 8.290 nan 0.000 0.430 335 N N 1.481 120.077 118.700 -0.174 0.000 2.361 335 N HA 0.293 5.033 4.740 -0.000 0.000 0.302 335 N C 0.213 175.688 175.510 -0.057 0.000 1.074 335 N CA 0.108 53.101 53.050 -0.094 0.000 0.850 335 N CB 1.694 40.134 38.487 -0.079 0.000 1.228 335 N HN 0.861 nan 8.380 nan 0.000 0.491 336 S N 2.924 118.627 115.700 0.004 0.000 2.474 336 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 336 S C 1.650 176.300 174.600 0.083 0.000 0.997 336 S CA 0.572 58.804 58.200 0.053 0.000 0.949 336 S CB 0.052 63.293 63.200 0.069 0.000 0.766 336 S HN 0.719 nan 8.310 nan 0.000 0.517 337 R N 0.897 121.433 120.500 0.060 0.000 2.072 337 R HA 0.127 4.467 4.340 -0.000 0.000 0.214 337 R C 2.000 178.362 176.300 0.103 0.000 1.168 337 R CA 1.355 57.500 56.100 0.075 0.000 1.020 337 R CB -0.038 30.275 30.300 0.021 0.000 0.914 337 R HN 0.439 nan 8.270 nan 0.000 0.449 338 V N -1.941 118.001 119.914 0.048 0.000 3.660 338 V HA 0.456 4.576 4.120 -0.000 0.000 0.276 338 V C 0.887 176.816 176.094 -0.275 0.000 1.317 338 V CA 0.395 62.700 62.300 0.009 0.000 1.097 338 V CB -0.026 31.819 31.823 0.038 0.000 0.863 338 V HN 0.643 nan 8.190 nan 0.000 0.438 339 G N 1.440 110.004 108.800 -0.394 0.000 2.498 339 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.251 339 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.251 339 G C -2.520 171.907 174.900 -0.789 0.000 1.170 339 G CA -0.110 44.420 45.100 -0.950 0.000 0.944 339 G HN 0.631 nan 8.290 nan 0.000 0.567 340 P HA 0.397 nan 4.420 nan 0.000 0.271 340 P C -0.356 176.610 177.300 -0.557 0.000 1.218 340 P CA 0.477 63.192 63.100 -0.641 0.000 0.780 340 P CB 0.514 31.865 31.700 -0.582 0.000 0.901 341 M N 3.082 122.394 119.600 -0.480 0.000 2.204 341 M HA 0.413 4.893 4.480 -0.000 0.000 0.293 341 M C -0.521 175.511 176.300 -0.446 0.000 0.994 341 M CA -0.827 54.201 55.300 -0.454 0.000 0.925 341 M CB 2.140 34.556 32.600 -0.307 0.000 1.577 341 M HN 0.098 nan 8.290 nan 0.000 0.439 342 I N 2.631 122.870 120.570 -0.552 0.000 2.315 342 I HA 0.485 4.655 4.170 -0.000 0.000 0.291 342 I C 0.030 175.980 176.117 -0.278 0.000 1.006 342 I CA -0.025 61.039 61.300 -0.393 0.000 1.265 342 I CB 1.076 38.764 38.000 -0.520 0.000 1.387 342 I HN 0.667 nan 8.210 nan 0.000 0.475 343 S N 2.780 118.378 115.700 -0.169 0.000 2.632 343 S HA 0.471 4.941 4.470 -0.000 0.000 0.289 343 S C 0.092 174.584 174.600 -0.181 0.000 1.115 343 S CA -0.646 57.375 58.200 -0.298 0.000 0.889 343 S CB 1.861 64.826 63.200 -0.391 0.000 1.116 343 S HN 0.817 nan 8.310 nan 0.000 0.486 344 T N -1.622 112.684 114.554 -0.413 0.000 3.639 344 T HA -0.161 4.189 4.350 -0.000 0.000 0.386 344 T C -0.063 174.763 174.700 0.211 0.000 0.764 344 T CA 0.138 62.044 62.100 -0.322 0.000 1.954 344 T CB -2.493 66.281 68.868 -0.156 0.000 1.755 344 T HN 0.507 nan 8.240 nan 0.000 0.715 345 V N 2.511 122.612 119.914 0.311 0.000 2.455 345 V HA 0.600 4.720 4.120 -0.000 0.000 0.273 345 V C 1.158 177.614 176.094 0.603 0.000 1.045 345 V CA 0.224 62.810 62.300 0.478 0.000 0.976 345 V CB 0.890 32.946 31.823 0.389 0.000 0.993 345 V HN 0.987 nan 8.190 nan 0.000 0.475 346 T N 2.163 117.074 114.554 0.594 0.000 2.907 346 T HA 0.621 4.971 4.350 -0.000 0.000 0.292 346 T C -1.134 173.810 174.700 0.407 0.000 1.043 346 T CA -0.745 61.645 62.100 0.483 0.000 1.003 346 T CB 1.793 70.894 68.868 0.387 0.000 1.084 346 T HN 0.391 nan 8.240 nan 0.000 0.483 347 Y N 2.162 122.544 120.300 0.137 0.000 2.328 347 Y HA 0.467 5.017 4.550 -0.000 0.000 0.337 347 Y C 0.055 175.977 175.900 0.036 0.000 0.966 347 Y CA -1.154 56.886 58.100 -0.099 0.000 1.136 347 Y CB 1.321 39.673 38.460 -0.180 0.000 1.170 347 Y HN 0.770 nan 8.280 nan 0.000 0.470 348 N N 5.138 123.708 118.700 -0.217 0.000 2.466 348 N HA -0.027 4.713 4.740 -0.000 0.000 0.263 348 N C -1.087 174.464 175.510 0.069 0.000 1.178 348 N CA 0.134 53.157 53.050 -0.045 0.000 0.983 348 N CB 0.004 38.437 38.487 -0.090 0.000 1.331 348 N HN 0.655 nan 8.380 nan 0.000 0.500 349 D N 2.866 123.441 120.400 0.292 0.000 2.435 349 D HA 0.060 4.700 4.640 -0.000 0.000 0.230 349 D C 0.096 176.496 176.300 0.166 0.000 1.215 349 D CA 0.060 54.276 54.000 0.359 0.000 0.947 349 D CB -0.850 40.176 40.800 0.377 0.000 1.048 349 D HN 0.625 nan 8.370 nan 0.000 0.512 350 N N 2.729 121.495 118.700 0.110 0.000 2.735 350 N HA -0.248 4.492 4.740 -0.000 0.000 0.248 350 N C 0.884 176.414 175.510 0.034 0.000 1.083 350 N CA 1.260 54.343 53.050 0.055 0.000 0.703 350 N CB -0.919 37.604 38.487 0.060 0.000 1.005 350 N HN 0.668 nan 8.380 nan 0.000 0.550 351 G N -3.028 105.789 108.800 0.027 0.000 2.238 351 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 351 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 351 G C 0.109 175.021 174.900 0.021 0.000 0.996 351 G CA 0.154 45.263 45.100 0.015 0.000 0.632 351 G HN 0.487 nan 8.290 nan 0.000 0.503 352 T N 2.303 116.880 114.554 0.038 0.000 2.770 352 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 352 T C -0.031 174.710 174.700 0.068 0.000 0.988 352 T CA -0.437 61.685 62.100 0.037 0.000 0.957 352 T CB 1.565 70.445 68.868 0.021 0.000 0.930 352 T HN 0.278 nan 8.240 nan 0.000 0.443 353 K N 3.727 124.164 120.400 0.063 0.000 2.349 353 K HA 0.307 4.627 4.320 -0.000 0.000 0.288 353 K C 0.168 176.821 176.600 0.089 0.000 1.058 353 K CA -0.152 56.195 56.287 0.100 0.000 0.953 353 K CB 0.824 33.388 32.500 0.107 0.000 0.997 353 K HN 0.379 nan 8.250 nan 0.000 0.477 354 R N 2.583 123.175 120.500 0.153 0.000 2.514 354 R HA 0.228 4.568 4.340 -0.000 0.000 0.301 354 R C -0.456 175.955 176.300 0.184 0.000 0.962 354 R CA -0.886 55.293 56.100 0.131 0.000 0.882 354 R CB 1.572 31.972 30.300 0.167 0.000 1.143 354 R HN 0.373 nan 8.270 nan 0.000 0.452 355 K N 1.131 121.546 120.400 0.026 0.000 2.382 355 K HA 0.085 4.405 4.320 -0.000 0.000 0.275 355 K C 0.248 176.970 176.600 0.204 0.000 1.009 355 K CA -0.227 56.055 56.287 -0.008 0.000 0.970 355 K CB 0.969 33.207 32.500 -0.437 0.000 0.934 355 K HN 0.299 nan 8.250 nan 0.000 0.479 356 V N 1.732 121.805 119.914 0.266 0.000 3.029 356 V HA 0.161 4.281 4.120 -0.000 0.000 0.230 356 V C 0.091 176.246 176.094 0.102 0.000 1.254 356 V CA 0.110 62.467 62.300 0.094 0.000 1.276 356 V CB 0.316 32.200 31.823 0.102 0.000 1.080 356 V HN 0.763 nan 8.190 nan 0.000 0.495 357 M N -1.452 118.312 119.600 0.273 0.000 2.324 357 M HA 0.391 4.870 4.480 -0.000 0.000 0.288 357 M C -0.180 176.323 176.300 0.339 0.000 1.097 357 M CA -0.600 54.834 55.300 0.224 0.000 0.928 357 M CB 2.504 35.148 32.600 0.073 0.000 1.648 357 M HN 0.240 nan 8.290 nan 0.000 0.460 358 Y N 3.071 123.464 120.300 0.156 0.000 2.201 358 Y HA 0.305 4.855 4.550 -0.000 0.000 0.292 358 Y C -0.253 175.523 175.900 -0.206 0.000 1.119 358 Y CA 1.391 59.415 58.100 -0.126 0.000 1.127 358 Y CB 0.610 38.981 38.460 -0.148 0.000 1.019 358 Y HN 0.634 nan 8.280 nan 0.000 0.514 359 E N -0.691 119.372 120.200 -0.228 0.000 2.275 359 E HA 0.513 4.863 4.350 -0.000 0.000 0.270 359 E C -1.272 175.215 176.600 -0.187 0.000 0.882 359 E CA -0.546 55.666 56.400 -0.314 0.000 0.758 359 E CB 1.897 31.430 29.700 -0.278 0.000 1.195 359 E HN 0.341 nan 8.360 nan 0.000 0.419 360 G N 0.975 109.634 108.800 -0.236 0.000 2.617 360 G HA2 0.610 4.570 3.960 -0.000 0.000 0.306 360 G HA3 0.610 4.570 3.960 -0.000 0.000 0.306 360 G C -0.926 173.786 174.900 -0.313 0.000 1.360 360 G CA -0.410 44.594 45.100 -0.160 0.000 0.983 360 G HN 0.436 nan 8.290 nan 0.000 0.496 361 S N 1.080 116.783 115.700 0.004 0.000 2.611 361 S HA 0.564 5.034 4.470 -0.000 0.000 0.268 361 S C -1.071 173.774 174.600 0.408 0.000 1.156 361 S CA -0.820 57.405 58.200 0.041 0.000 0.817 361 S CB 1.206 64.320 63.200 -0.144 0.000 1.122 361 S HN 1.480 nan 8.310 nan 0.000 0.466 362 L N 2.578 124.037 121.223 0.394 0.000 2.559 362 L HA 0.512 4.852 4.340 -0.000 0.000 0.274 362 L C 1.281 178.205 176.870 0.089 0.000 1.205 362 L CA 1.466 56.436 54.840 0.217 0.000 0.907 362 L CB 0.151 42.206 42.059 -0.007 0.000 1.153 362 L HN 1.002 nan 8.230 nan 0.000 0.490 363 G N 3.318 112.149 108.800 0.052 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 0.454 175.420 174.900 0.109 0.000 1.199 363 G CA 0.518 45.678 45.100 0.102 0.000 0.807 363 G HN 1.128 nan 8.290 nan 0.000 0.537 364 G N -1.152 107.623 108.800 -0.042 0.000 2.489 364 G HA2 0.554 4.514 3.960 -0.000 0.000 0.291 364 G HA3 0.554 4.514 3.960 -0.000 0.000 0.291 364 G C -0.934 173.902 174.900 -0.107 0.000 1.487 364 G CA -0.317 44.741 45.100 -0.071 0.000 0.795 364 G HN 0.715 nan 8.290 nan 0.000 0.513 365 M N -0.631 118.977 119.600 0.014 0.000 2.716 365 M HA 0.930 5.410 4.480 -0.000 0.000 0.278 365 M C -1.490 174.918 176.300 0.179 0.000 1.281 365 M CA -1.147 54.207 55.300 0.091 0.000 0.814 365 M CB 2.751 35.377 32.600 0.044 0.000 1.719 365 M HN 0.833 nan 8.290 nan 0.000 0.457 366 I N 0.766 121.430 120.570 0.157 0.000 2.787 366 I HA 0.598 4.768 4.170 -0.000 0.000 0.294 366 I C -1.949 174.219 176.117 0.085 0.000 1.365 366 I CA -0.757 60.645 61.300 0.170 0.000 1.029 366 I CB 2.545 40.659 38.000 0.190 0.000 1.313 366 I HN 0.612 nan 8.210 nan 0.000 0.431 367 V N 8.204 128.219 119.914 0.168 0.000 2.320 367 V HA 0.427 4.547 4.120 -0.000 0.000 0.268 367 V C -2.384 173.827 176.094 0.195 0.000 1.021 367 V CA -1.142 61.218 62.300 0.100 0.000 0.813 367 V CB 0.858 32.756 31.823 0.125 0.000 1.054 367 V HN 0.538 nan 8.190 nan 0.000 0.444 368 P HA 0.442 nan 4.420 nan 0.000 0.288 368 P C -1.344 176.101 177.300 0.242 0.000 1.267 368 P CA -0.360 62.937 63.100 0.328 0.000 0.815 368 P CB 1.387 33.324 31.700 0.396 0.000 0.989 369 Y N -0.077 120.418 120.300 0.325 0.000 2.534 369 Y HA 0.550 5.100 4.550 -0.000 0.000 0.329 369 Y C 1.737 177.716 175.900 0.131 0.000 1.154 369 Y CA -0.001 58.235 58.100 0.226 0.000 1.192 369 Y CB 1.498 40.117 38.460 0.265 0.000 1.275 369 Y HN 0.469 nan 8.280 nan 0.000 0.491 370 G N 0.063 108.934 108.800 0.119 0.000 3.575 370 G HA2 0.031 3.991 3.960 -0.000 0.000 0.273 370 G HA3 0.031 3.991 3.960 -0.000 0.000 0.273 370 G C -0.722 174.070 174.900 -0.180 0.000 1.053 370 G CA -0.058 44.990 45.100 -0.086 0.000 0.803 370 G HN 0.474 nan 8.290 nan 0.000 0.528 371 D N 0.575 120.887 120.400 -0.146 0.000 2.217 371 D HA 0.319 4.959 4.640 -0.000 0.000 0.243 371 D C -1.607 174.568 176.300 -0.208 0.000 1.054 371 D CA -2.016 51.719 54.000 -0.441 0.000 0.838 371 D CB 3.143 43.681 40.800 -0.436 0.000 1.162 371 D HN -0.058 nan 8.370 nan 0.000 0.472 372 P HA 0.046 nan 4.420 nan 0.000 0.224 372 P C -0.077 177.273 177.300 0.083 0.000 1.157 372 P CA 0.196 63.237 63.100 -0.098 0.000 0.799 372 P CB 0.404 31.993 31.700 -0.185 0.000 0.809 373 D N -0.535 119.911 120.400 0.076 0.000 2.341 373 D HA -0.062 4.578 4.640 -0.000 0.000 0.235 373 D C 1.421 177.933 176.300 0.354 0.000 1.265 373 D CA -0.100 54.019 54.000 0.199 0.000 0.888 373 D CB 0.198 41.123 40.800 0.208 0.000 1.192 373 D HN -0.161 nan 8.370 nan 0.000 0.462 374 I N 0.574 121.329 120.570 0.308 0.000 2.394 374 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 374 I C 2.067 178.361 176.117 0.296 0.000 1.136 374 I CA 1.427 62.932 61.300 0.342 0.000 1.425 374 I CB -0.499 37.622 38.000 0.201 0.000 1.079 374 I HN 0.477 nan 8.210 nan 0.000 0.425 375 G N -1.869 107.049 108.800 0.196 0.000 2.813 375 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.209 375 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.209 375 G C 0.962 175.526 174.900 -0.560 0.000 1.150 375 G CA 0.219 45.266 45.100 -0.087 0.000 0.785 375 G HN 0.488 nan 8.290 nan 0.000 0.535 376 W N -1.293 119.833 121.300 -0.290 0.000 3.097 376 W HA 0.204 4.864 4.660 -0.000 0.000 0.245 376 W C 2.057 178.290 176.519 -0.476 0.000 1.120 376 W CA -0.213 56.859 57.345 -0.455 0.000 1.468 376 W CB -0.319 29.015 29.460 -0.211 0.000 0.851 376 W HN 0.209 nan 8.180 nan 0.000 0.692 377 Y N 0.547 120.860 120.300 0.022 0.000 2.315 377 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 377 Y C 1.647 177.664 175.900 0.195 0.000 1.154 377 Y CA 1.213 59.378 58.100 0.110 0.000 1.229 377 Y CB -1.809 36.706 38.460 0.093 0.000 0.980 377 Y HN 0.072 nan 8.280 nan 0.000 0.540 378 F N 0.352 120.024 119.950 -0.463 0.000 2.754 378 F HA 0.351 4.878 4.527 -0.000 0.000 0.297 378 F C 0.960 176.793 175.800 0.056 0.000 1.122 378 F CA -1.120 56.801 58.000 -0.133 0.000 1.400 378 F CB -0.520 38.189 39.000 -0.486 0.000 1.117 378 F HN -0.159 nan 8.300 nan 0.000 0.587 379 K N 2.283 122.338 120.400 -0.575 0.000 2.351 379 K HA 0.500 4.820 4.320 -0.000 0.000 0.287 379 K C -0.920 175.769 176.600 0.149 0.000 1.068 379 K CA 0.184 56.260 56.287 -0.352 0.000 0.998 379 K CB -0.083 32.095 32.500 -0.536 0.000 0.968 379 K HN 0.362 nan 8.250 nan 0.000 0.464 380 A N 5.504 128.424 122.820 0.166 0.000 2.466 380 A HA 0.270 4.589 4.320 -0.000 0.000 0.284 380 A C -1.886 175.831 177.584 0.221 0.000 1.049 380 A CA -0.666 51.536 52.037 0.275 0.000 0.760 380 A CB 0.467 19.587 19.000 0.199 0.000 1.274 380 A HN 0.698 nan 8.150 nan 0.000 0.412 381 Y N 2.109 122.546 120.300 0.228 0.000 2.404 381 Y HA 0.397 4.947 4.550 -0.000 0.000 0.344 381 Y C 0.418 176.453 175.900 0.224 0.000 0.995 381 Y CA 0.092 58.333 58.100 0.236 0.000 1.201 381 Y CB 1.292 39.865 38.460 0.187 0.000 1.151 381 Y HN 0.566 nan 8.280 nan 0.000 0.517 382 L N 5.122 126.562 121.223 0.362 0.000 2.449 382 L HA 0.143 4.483 4.340 -0.000 0.000 0.255 382 L C 0.673 177.772 176.870 0.382 0.000 1.167 382 L CA -0.224 54.791 54.840 0.293 0.000 1.090 382 L CB 0.117 42.285 42.059 0.182 0.000 1.385 382 L HN 0.766 nan 8.230 nan 0.000 0.411 383 D N 0.458 121.090 120.400 0.387 0.000 2.103 383 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 383 D C 2.095 178.628 176.300 0.389 0.000 0.997 383 D CA 2.109 56.361 54.000 0.421 0.000 0.833 383 D CB 0.112 41.120 40.800 0.346 0.000 0.961 383 D HN 0.562 nan 8.370 nan 0.000 0.447 384 S N 0.139 116.005 115.700 0.278 0.000 2.355 384 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 384 S C 2.261 176.943 174.600 0.135 0.000 1.031 384 S CA 1.446 59.780 58.200 0.223 0.000 0.993 384 S CB -0.857 62.451 63.200 0.181 0.000 0.859 384 S HN 0.275 nan 8.310 nan 0.000 0.453 385 G N 1.351 110.201 108.800 0.083 0.000 2.404 385 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 385 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 385 G C 1.156 176.049 174.900 -0.011 0.000 1.174 385 G CA 1.006 46.084 45.100 -0.037 0.000 0.780 385 G HN 0.509 nan 8.290 nan 0.000 0.537 386 D N -1.299 119.147 120.400 0.078 0.000 2.301 386 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 386 D C 1.420 177.594 176.300 -0.211 0.000 0.979 386 D CA 0.502 54.457 54.000 -0.074 0.000 0.874 386 D CB 0.195 40.940 40.800 -0.092 0.000 0.968 386 D HN 0.442 nan 8.370 nan 0.000 0.510 387 Y N -0.398 119.993 120.300 0.151 0.000 2.467 387 Y HA 0.349 4.899 4.550 -0.000 0.000 0.259 387 Y C 1.035 177.044 175.900 0.182 0.000 1.084 387 Y CA 0.136 58.359 58.100 0.204 0.000 1.275 387 Y CB 0.958 39.589 38.460 0.285 0.000 1.208 387 Y HN -0.116 nan 8.280 nan 0.000 0.511 388 G N 1.411 110.383 108.800 0.286 0.000 2.905 388 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.245 388 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.245 388 G C 0.354 175.424 174.900 0.283 0.000 1.004 388 G CA 0.171 45.407 45.100 0.227 0.000 1.089 388 G HN 0.273 nan 8.290 nan 0.000 0.456 389 M N 1.321 121.118 119.600 0.328 0.000 2.288 389 M HA 0.058 4.538 4.480 -0.000 0.000 0.266 389 M C 2.724 179.360 176.300 0.561 0.000 1.072 389 M CA 1.945 57.506 55.300 0.436 0.000 1.132 389 M CB -0.070 32.855 32.600 0.543 0.000 1.386 389 M HN 0.654 nan 8.290 nan 0.000 0.432 390 G N 0.074 109.127 108.800 0.421 0.000 2.433 390 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 390 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 390 G C 1.440 176.504 174.900 0.273 0.000 1.186 390 G CA 1.510 46.794 45.100 0.308 0.000 0.779 390 G HN 0.345 nan 8.290 nan 0.000 0.543 391 T N 1.113 115.794 114.554 0.212 0.000 2.759 391 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 391 T C 1.907 176.718 174.700 0.184 0.000 1.042 391 T CA 0.755 62.961 62.100 0.178 0.000 1.140 391 T CB -0.139 68.830 68.868 0.169 0.000 0.864 391 T HN 0.118 nan 8.240 nan 0.000 0.455 392 L N 1.463 122.815 121.223 0.214 0.000 2.728 392 L HA 0.176 4.516 4.340 -0.000 0.000 0.235 392 L C 0.493 177.464 176.870 0.168 0.000 1.197 392 L CA -0.341 54.599 54.840 0.167 0.000 0.992 392 L CB -0.407 41.748 42.059 0.159 0.000 1.263 392 L HN 0.066 nan 8.230 nan 0.000 0.484 393 T N 0.182 114.888 114.554 0.252 0.000 2.933 393 T HA -0.031 4.319 4.350 -0.000 0.000 0.306 393 T C 0.641 175.414 174.700 0.121 0.000 1.045 393 T CA 0.432 62.692 62.100 0.266 0.000 1.143 393 T CB 0.458 69.585 68.868 0.431 0.000 1.003 393 T HN 0.155 nan 8.240 nan 0.000 0.540 394 S N 5.498 121.220 115.700 0.036 0.000 2.420 394 S HA 0.326 4.796 4.470 -0.000 0.000 0.313 394 S C -2.255 172.365 174.600 0.033 0.000 1.079 394 S CA -1.239 56.967 58.200 0.010 0.000 1.104 394 S CB 0.868 64.037 63.200 -0.053 0.000 0.969 394 S HN 0.455 nan 8.310 nan 0.000 0.471 395 P HA -0.016 nan 4.420 nan 0.000 0.257 395 P C -0.184 177.138 177.300 0.036 0.000 1.162 395 P CA 0.333 63.464 63.100 0.052 0.000 0.762 395 P CB 0.101 31.823 31.700 0.038 0.000 0.753 396 I N 2.398 123.000 120.570 0.054 0.000 2.683 396 I HA -0.005 4.165 4.170 -0.000 0.000 0.286 396 I C 0.951 177.081 176.117 0.022 0.000 1.175 396 I CA 0.060 61.386 61.300 0.043 0.000 1.429 396 I CB 0.440 38.486 38.000 0.076 0.000 1.371 396 I HN 0.347 nan 8.210 nan 0.000 0.569 397 A N 8.054 130.877 122.820 0.005 0.000 2.350 397 A HA 0.256 4.576 4.320 -0.000 0.000 0.293 397 A C 0.464 178.043 177.584 -0.009 0.000 1.231 397 A CA -0.467 51.567 52.037 -0.005 0.000 0.883 397 A CB 0.116 19.109 19.000 -0.012 0.000 1.133 397 A HN 0.798 nan 8.150 nan 0.000 0.533 398 R N 1.944 122.439 120.500 -0.008 0.000 2.538 398 R HA 0.288 4.628 4.340 -0.000 0.000 0.282 398 R C 1.428 177.716 176.300 -0.021 0.000 1.009 398 R CA 1.651 57.744 56.100 -0.011 0.000 1.063 398 R CB 0.074 30.367 30.300 -0.011 0.000 0.945 398 R HN 1.513 nan 8.270 nan 0.000 0.414 399 G N 3.200 111.979 108.800 -0.035 0.000 2.284 399 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.247 399 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.247 399 G C 0.756 175.624 174.900 -0.053 0.000 1.012 399 G CA 0.649 45.724 45.100 -0.043 0.000 0.618 399 G HN 0.630 nan 8.290 nan 0.000 0.521 400 K N -0.624 119.749 120.400 -0.045 0.000 2.266 400 K HA 0.156 4.476 4.320 -0.000 0.000 0.209 400 K C 1.562 178.135 176.600 -0.045 0.000 1.065 400 K CA 0.482 56.744 56.287 -0.040 0.000 0.946 400 K CB 0.005 32.488 32.500 -0.027 0.000 1.069 400 K HN 0.094 nan 8.250 nan 0.000 0.472 401 D N 0.883 121.262 120.400 -0.036 0.000 2.219 401 D HA -0.008 4.632 4.640 -0.000 0.000 0.205 401 D C 0.179 176.457 176.300 -0.037 0.000 0.970 401 D CA 0.711 54.698 54.000 -0.021 0.000 0.851 401 D CB 0.279 41.075 40.800 -0.007 0.000 0.943 401 D HN 0.192 nan 8.370 nan 0.000 0.488 402 A N 0.164 122.926 122.820 -0.097 0.000 2.498 402 A HA 0.581 4.901 4.320 -0.000 0.000 0.298 402 A C -2.641 174.757 177.584 -0.310 0.000 1.075 402 A CA -1.380 50.499 52.037 -0.264 0.000 0.714 402 A CB 1.568 20.471 19.000 -0.161 0.000 1.299 402 A HN -0.216 nan 8.150 nan 0.000 0.407 403 P HA 0.050 nan 4.420 nan 0.000 0.269 403 P C 0.945 178.148 177.300 -0.162 0.000 1.217 403 P CA 0.413 63.317 63.100 -0.326 0.000 0.783 403 P CB 0.566 32.017 31.700 -0.414 0.000 0.898 404 S N 0.128 115.784 115.700 -0.073 0.000 2.500 404 S HA -0.152 4.318 4.470 -0.000 0.000 0.239 404 S C 1.108 175.731 174.600 0.037 0.000 0.989 404 S CA 0.836 59.031 58.200 -0.009 0.000 0.951 404 S CB -1.058 62.150 63.200 0.012 0.000 0.759 404 S HN 0.645 nan 8.310 nan 0.000 0.523 405 N N 1.525 120.251 118.700 0.043 0.000 2.238 405 N HA 0.330 5.070 4.740 -0.000 0.000 0.222 405 N C 0.157 175.768 175.510 0.168 0.000 1.133 405 N CA 0.134 53.254 53.050 0.115 0.000 0.854 405 N CB 0.022 38.587 38.487 0.129 0.000 1.041 405 N HN 0.436 nan 8.380 nan 0.000 0.510 406 A N 0.324 123.220 122.820 0.126 0.000 2.313 406 A HA 0.540 4.860 4.320 -0.000 0.000 0.261 406 A C -0.198 177.520 177.584 0.223 0.000 1.090 406 A CA -0.394 51.773 52.037 0.218 0.000 0.807 406 A CB 0.821 19.901 19.000 0.134 0.000 1.055 406 A HN 0.070 nan 8.150 nan 0.000 0.492 407 V N 1.504 121.574 119.914 0.260 0.000 2.448 407 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 407 V C -0.441 175.774 176.094 0.202 0.000 1.025 407 V CA -0.280 62.169 62.300 0.248 0.000 0.859 407 V CB 1.303 33.317 31.823 0.320 0.000 0.988 407 V HN 0.671 nan 8.190 nan 0.000 0.431 408 L N 6.239 127.567 121.223 0.175 0.000 2.296 408 L HA 0.584 4.924 4.340 -0.000 0.000 0.286 408 L C -0.555 176.400 176.870 0.141 0.000 1.023 408 L CA -0.418 54.505 54.840 0.138 0.000 0.812 408 L CB 1.393 43.505 42.059 0.089 0.000 1.223 408 L HN 0.375 nan 8.230 nan 0.000 0.421 409 L N 3.202 124.506 121.223 0.133 0.000 2.334 409 L HA 0.468 4.808 4.340 -0.000 0.000 0.275 409 L C -0.135 176.778 176.870 0.072 0.000 1.036 409 L CA -0.773 54.139 54.840 0.121 0.000 0.807 409 L CB 1.430 43.557 42.059 0.114 0.000 1.231 409 L HN 0.585 nan 8.230 nan 0.000 0.438 410 N N 1.939 120.663 118.700 0.040 0.000 2.509 410 N HA 0.413 5.153 4.740 -0.000 0.000 0.287 410 N C -0.722 174.799 175.510 0.017 0.000 1.121 410 N CA -0.464 52.600 53.050 0.024 0.000 0.977 410 N CB 1.767 40.253 38.487 -0.001 0.000 1.167 410 N HN 0.492 nan 8.380 nan 0.000 0.476 411 E N 0.369 120.581 120.200 0.019 0.000 2.331 411 E HA 0.388 4.738 4.350 -0.000 0.000 0.275 411 E C -0.921 175.682 176.600 0.004 0.000 0.895 411 E CA -0.570 55.831 56.400 0.001 0.000 0.753 411 E CB 2.209 31.904 29.700 -0.007 0.000 1.216 411 E HN 0.346 nan 8.360 nan 0.000 0.434 412 T N 2.665 117.213 114.554 -0.010 0.000 2.829 412 T HA 0.713 5.063 4.350 -0.000 0.000 0.280 412 T C 0.351 175.045 174.700 -0.010 0.000 0.999 412 T CA -0.548 61.548 62.100 -0.007 0.000 0.983 412 T CB 0.674 69.534 68.868 -0.013 0.000 0.968 412 T HN 0.469 nan 8.240 nan 0.000 0.446 413 I N -0.774 119.796 120.570 0.000 0.000 3.516 413 I HA 0.991 5.161 4.170 -0.000 0.000 0.307 413 I C -1.141 174.974 176.117 -0.003 0.000 1.157 413 I CA -1.906 59.395 61.300 0.001 0.000 0.983 413 I CB 1.668 39.681 38.000 0.022 0.000 1.351 413 I HN 0.624 nan 8.210 nan 0.000 0.484 414 A N 1.606 124.426 122.820 -0.001 0.000 2.330 414 A HA 0.640 4.960 4.320 -0.000 0.000 0.327 414 A C -0.918 176.680 177.584 0.025 0.000 1.155 414 A CA -0.442 51.582 52.037 -0.021 0.000 0.803 414 A CB 0.731 19.691 19.000 -0.066 0.000 1.208 414 A HN 0.836 nan 8.150 nan 0.000 0.477 415 D N 0.305 120.711 120.400 0.011 0.000 2.433 415 D HA 0.119 4.759 4.640 -0.000 0.000 0.255 415 D C 0.774 177.129 176.300 0.091 0.000 1.226 415 D CA -0.023 54.017 54.000 0.067 0.000 1.015 415 D CB 0.008 40.822 40.800 0.023 0.000 1.091 415 D HN 0.637 nan 8.370 nan 0.000 0.527 416 Y N -2.221 118.158 120.300 0.132 0.000 2.497 416 Y HA 0.000 4.550 4.550 -0.000 0.000 0.292 416 Y C 1.668 177.743 175.900 0.291 0.000 1.137 416 Y CA 1.132 59.347 58.100 0.191 0.000 1.285 416 Y CB -0.951 37.596 38.460 0.145 0.000 0.991 416 Y HN 0.359 nan 8.280 nan 0.000 0.556 417 T N -3.538 110.796 114.554 -0.366 0.000 3.105 417 T HA 0.467 4.817 4.350 -0.000 0.000 0.253 417 T C 1.488 176.207 174.700 0.031 0.000 1.047 417 T CA 0.144 62.175 62.100 -0.115 0.000 0.944 417 T CB -0.281 68.375 68.868 -0.353 0.000 1.016 417 T HN 0.864 nan 8.240 nan 0.000 0.544 418 G N 0.706 109.441 108.800 -0.109 0.000 2.143 418 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.249 418 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.249 418 G C -0.043 174.700 174.900 -0.262 0.000 0.981 418 G CA -0.058 44.774 45.100 -0.446 0.000 0.665 418 G HN 0.703 nan 8.290 nan 0.000 0.528 419 V N 1.740 121.559 119.914 -0.157 0.000 2.439 419 V HA 0.461 4.581 4.120 -0.000 0.000 0.282 419 V C -1.371 174.674 176.094 -0.082 0.000 1.039 419 V CA -1.671 60.563 62.300 -0.110 0.000 0.913 419 V CB 1.557 33.329 31.823 -0.085 0.000 0.983 419 V HN 0.108 nan 8.190 nan 0.000 0.460 420 P HA 0.138 nan 4.420 nan 0.000 0.267 420 P C -0.563 176.722 177.300 -0.026 0.000 1.201 420 P CA 0.001 63.073 63.100 -0.047 0.000 0.775 420 P CB 0.363 32.038 31.700 -0.043 0.000 0.854 421 M N 1.207 120.800 119.600 -0.010 0.000 2.164 421 M HA 0.221 4.701 4.480 -0.000 0.000 0.260 421 M C -1.052 175.256 176.300 0.014 0.000 0.974 421 M CA -0.317 54.988 55.300 0.007 0.000 1.020 421 M CB 1.341 33.955 32.600 0.023 0.000 1.903 421 M HN 0.203 nan 8.290 nan 0.000 0.469 422 E N 5.336 125.543 120.200 0.012 0.000 2.130 422 E HA 0.381 4.731 4.350 -0.000 0.000 0.284 422 E C -1.084 175.532 176.600 0.026 0.000 1.018 422 E CA -0.435 55.973 56.400 0.013 0.000 0.817 422 E CB 0.940 30.642 29.700 0.004 0.000 1.078 422 E HN 0.710 nan 8.360 nan 0.000 0.396 423 I N 7.666 128.259 120.570 0.038 0.000 2.337 423 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 423 I C -1.961 174.185 176.117 0.049 0.000 1.046 423 I CA -2.100 59.234 61.300 0.056 0.000 1.324 423 I CB 0.697 38.749 38.000 0.086 0.000 1.409 423 I HN 0.297 nan 8.210 nan 0.000 0.494 424 P HA 0.131 nan 4.420 nan 0.000 0.275 424 P C -0.534 176.795 177.300 0.047 0.000 1.227 424 P CA -0.341 62.776 63.100 0.030 0.000 0.781 424 P CB 0.581 32.291 31.700 0.016 0.000 0.906 425 R N 1.144 121.671 120.500 0.046 0.000 3.251 425 R HA -0.213 4.127 4.340 -0.000 0.000 0.249 425 R C 0.971 177.333 176.300 0.103 0.000 0.949 425 R CA 0.496 56.635 56.100 0.066 0.000 0.645 425 R CB -2.565 27.763 30.300 0.046 0.000 1.065 425 R HN 0.605 nan 8.270 nan 0.000 0.452 426 A N 0.202 123.093 122.820 0.120 0.000 1.970 426 A HA 0.178 4.498 4.320 -0.000 0.000 0.216 426 A C 0.955 178.694 177.584 0.259 0.000 1.170 426 A CA 0.808 52.954 52.037 0.183 0.000 0.645 426 A CB 0.442 19.532 19.000 0.149 0.000 0.816 426 A HN 0.360 nan 8.150 nan 0.000 0.447 427 I N -0.995 119.689 120.570 0.191 0.000 2.619 427 I HA 0.526 4.695 4.170 -0.000 0.000 0.292 427 I C -0.319 175.903 176.117 0.175 0.000 1.100 427 I CA -0.631 60.794 61.300 0.209 0.000 1.043 427 I CB 2.262 40.338 38.000 0.127 0.000 1.239 427 I HN 0.103 nan 8.210 nan 0.000 0.420 428 A N 5.950 128.898 122.820 0.213 0.000 2.292 428 A HA 0.818 5.138 4.320 -0.000 0.000 0.319 428 A C -0.880 176.817 177.584 0.188 0.000 1.206 428 A CA -0.482 51.693 52.037 0.230 0.000 0.835 428 A CB 1.085 20.268 19.000 0.305 0.000 1.164 428 A HN 0.423 nan 8.150 nan 0.000 0.505 429 V N 3.570 123.557 119.914 0.121 0.000 2.407 429 V HA 0.663 4.783 4.120 -0.000 0.000 0.291 429 V C -0.972 175.112 176.094 -0.017 0.000 1.018 429 V CA -0.249 61.982 62.300 -0.115 0.000 0.842 429 V CB 0.419 32.054 31.823 -0.312 0.000 0.996 429 V HN 0.837 nan 8.190 nan 0.000 0.426 430 F N 1.392 121.229 119.950 -0.190 0.000 2.608 430 F HA 0.735 5.261 4.527 -0.000 0.000 0.309 430 F C -0.649 175.072 175.800 -0.133 0.000 1.103 430 F CA -1.076 56.880 58.000 -0.073 0.000 0.954 430 F CB 1.525 40.526 39.000 0.002 0.000 1.267 430 F HN 0.471 nan 8.300 nan 0.000 0.444 431 E N 3.119 123.392 120.200 0.122 0.000 2.277 431 E HA 0.611 4.961 4.350 -0.000 0.000 0.274 431 E C -0.975 175.734 176.600 0.181 0.000 1.022 431 E CA -0.875 55.533 56.400 0.014 0.000 0.853 431 E CB 1.256 31.053 29.700 0.162 0.000 1.086 431 E HN 0.884 nan 8.360 nan 0.000 0.397 432 R N 2.986 123.553 120.500 0.111 0.000 2.698 432 R HA 0.216 4.556 4.340 -0.000 0.000 0.275 432 R C -1.477 174.905 176.300 0.137 0.000 1.001 432 R CA -0.963 55.240 56.100 0.172 0.000 0.896 432 R CB 0.550 30.975 30.300 0.208 0.000 1.218 432 R HN 0.551 nan 8.270 nan 0.000 0.462 433 Y N 2.042 122.373 120.300 0.052 0.000 2.526 433 Y HA 0.361 4.910 4.550 -0.000 0.000 0.330 433 Y C -0.424 175.476 175.900 -0.001 0.000 1.156 433 Y CA 0.422 58.538 58.100 0.028 0.000 1.419 433 Y CB 1.049 39.522 38.460 0.021 0.000 1.250 433 Y HN 0.824 nan 8.280 nan 0.000 0.540 434 A N 5.855 128.249 122.820 -0.710 0.000 3.129 434 A HA 0.604 4.924 4.320 -0.000 0.000 0.282 434 A C 0.655 177.830 177.584 -0.681 0.000 0.948 434 A CA 0.044 51.750 52.037 -0.552 0.000 1.027 434 A CB -0.838 17.974 19.000 -0.314 0.000 1.123 434 A HN 1.761 nan 8.150 nan 0.000 0.485 435 G N 0.991 109.040 108.800 -1.251 0.000 2.796 435 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.226 435 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.226 435 G C -2.906 171.752 174.900 -0.403 0.000 1.381 435 G CA -0.356 44.384 45.100 -0.600 0.000 0.867 435 G HN 0.543 nan 8.290 nan 0.000 0.552 436 P HA 0.309 nan 4.420 nan 0.000 0.281 436 P C 0.488 177.730 177.300 -0.096 0.000 1.252 436 P CA -0.060 63.005 63.100 -0.058 0.000 0.778 436 P CB 1.706 33.410 31.700 0.007 0.000 0.895 437 E N 4.243 124.349 120.200 -0.156 0.000 2.085 437 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 437 E C -0.040 176.542 176.600 -0.031 0.000 0.994 437 E CA 1.808 58.126 56.400 -0.137 0.000 0.801 437 E CB -0.371 29.184 29.700 -0.240 0.000 0.743 437 E HN 0.579 nan 8.360 nan 0.000 0.453 438 Y N -3.103 117.206 120.300 0.015 0.000 2.662 438 Y HA 0.611 5.161 4.550 -0.000 0.000 0.334 438 Y C -1.304 174.615 175.900 0.031 0.000 1.185 438 Y CA -1.793 56.317 58.100 0.016 0.000 1.074 438 Y CB 0.559 39.022 38.460 0.005 0.000 1.330 438 Y HN -0.133 nan 8.280 nan 0.000 0.458 439 K N 1.504 122.112 120.400 0.348 0.000 2.542 439 K HA 0.553 4.873 4.320 -0.000 0.000 0.259 439 K C -2.578 174.171 176.600 0.247 0.000 0.932 439 K CA -0.792 55.648 56.287 0.256 0.000 0.820 439 K CB 2.071 34.652 32.500 0.135 0.000 1.345 439 K HN 1.036 nan 8.250 nan 0.000 0.432 440 H N 1.910 121.037 119.070 0.094 0.000 2.877 440 H HA 0.264 4.820 4.556 -0.000 0.000 0.347 440 H C -1.732 173.619 175.328 0.038 0.000 1.042 440 H CA -0.366 55.708 56.048 0.044 0.000 1.276 440 H CB 1.911 31.681 29.762 0.013 0.000 1.681 440 H HN 0.518 nan 8.280 nan 0.000 0.521 441 Q N 3.674 123.199 119.800 -0.458 0.000 2.560 441 Q HA 0.235 4.575 4.340 -0.000 0.000 0.238 441 Q C -0.908 174.739 176.000 -0.588 0.000 1.079 441 Q CA -0.757 54.823 55.803 -0.371 0.000 0.866 441 Q CB 0.581 29.216 28.738 -0.171 0.000 1.153 441 Q HN 0.621 nan 8.270 nan 0.000 0.530 442 E N 2.935 122.782 120.200 -0.587 0.000 2.376 442 E HA 0.123 4.473 4.350 -0.000 0.000 0.266 442 E C -0.546 175.977 176.600 -0.129 0.000 1.009 442 E CA -0.313 55.908 56.400 -0.298 0.000 0.902 442 E CB 0.442 30.142 29.700 -0.000 0.000 0.972 442 E HN 0.701 nan 8.360 nan 0.000 0.439 443 M N 4.700 124.257 119.600 -0.072 0.000 2.261 443 M HA 0.143 4.623 4.480 -0.000 0.000 0.350 443 M C 0.991 177.276 176.300 -0.026 0.000 1.343 443 M CA 1.684 56.959 55.300 -0.041 0.000 1.003 443 M CB -0.278 32.313 32.600 -0.015 0.000 1.848 443 M HN 0.691 nan 8.290 nan 0.000 0.456 444 G N 2.970 111.754 108.800 -0.025 0.000 2.179 444 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.257 444 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.257 444 G C -0.216 174.675 174.900 -0.015 0.000 1.010 444 G CA 0.338 45.429 45.100 -0.016 0.000 0.736 444 G HN 0.745 nan 8.290 nan 0.000 0.513 445 Q N -0.903 118.883 119.800 -0.024 0.000 2.451 445 Q HA 0.512 4.852 4.340 -0.000 0.000 0.281 445 Q C -2.692 173.296 176.000 -0.020 0.000 1.099 445 Q CA -1.922 53.871 55.803 -0.017 0.000 0.806 445 Q CB 1.718 30.449 28.738 -0.011 0.000 1.419 445 Q HN 0.140 nan 8.270 nan 0.000 0.427 446 P HA 0.044 nan 4.420 nan 0.000 0.267 446 P C -0.178 177.118 177.300 -0.007 0.000 1.205 446 P CA -0.103 62.994 63.100 -0.005 0.000 0.765 446 P CB 0.374 32.076 31.700 0.004 0.000 0.828 447 N N 2.195 120.889 118.700 -0.010 0.000 2.344 447 N HA 0.122 4.862 4.740 -0.000 0.000 0.236 447 N C -1.067 174.459 175.510 0.026 0.000 1.279 447 N CA 0.195 53.240 53.050 -0.008 0.000 0.882 447 N CB 0.338 38.822 38.487 -0.006 0.000 1.110 447 N HN 0.048 nan 8.380 nan 0.000 0.436 448 V N 1.597 121.544 119.914 0.055 0.000 2.482 448 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 448 V C -0.778 175.403 176.094 0.144 0.000 1.026 448 V CA -0.586 61.781 62.300 0.111 0.000 0.856 448 V CB 1.159 33.072 31.823 0.150 0.000 1.001 448 V HN 0.727 nan 8.190 nan 0.000 0.424 449 S N 2.666 118.425 115.700 0.099 0.000 2.575 449 S HA 0.787 5.257 4.470 -0.000 0.000 0.278 449 S C -0.315 174.251 174.600 -0.056 0.000 1.139 449 S CA -0.637 57.589 58.200 0.043 0.000 0.954 449 S CB 2.180 65.398 63.200 0.030 0.000 1.054 449 S HN 0.942 nan 8.310 nan 0.000 0.483 450 T N -0.165 114.235 114.554 -0.257 0.000 2.876 450 T HA 0.659 5.009 4.350 -0.000 0.000 0.289 450 T C -0.694 173.865 174.700 -0.235 0.000 1.014 450 T CA -1.025 60.894 62.100 -0.302 0.000 0.986 450 T CB 1.438 69.990 68.868 -0.526 0.000 1.021 450 T HN 0.653 nan 8.240 nan 0.000 0.458 451 E N 2.217 122.367 120.200 -0.085 0.000 2.301 451 E HA 0.360 4.710 4.350 -0.000 0.000 0.275 451 E C -0.215 176.360 176.600 -0.042 0.000 1.030 451 E CA -1.082 55.330 56.400 0.019 0.000 0.852 451 E CB 1.347 31.177 29.700 0.217 0.000 1.060 451 E HN 0.687 nan 8.360 nan 0.000 0.401 452 R N 2.239 122.673 120.500 -0.110 0.000 2.308 452 R HA 0.201 4.541 4.340 -0.000 0.000 0.305 452 R C -0.633 175.639 176.300 -0.047 0.000 1.053 452 R CA -0.573 55.470 56.100 -0.094 0.000 0.957 452 R CB 0.685 30.899 30.300 -0.144 0.000 1.022 452 R HN 0.483 nan 8.270 nan 0.000 0.461 453 R N 3.130 123.681 120.500 0.085 0.000 2.514 453 R HA 0.325 4.665 4.340 -0.000 0.000 0.301 453 R C -0.780 175.642 176.300 0.203 0.000 0.962 453 R CA -0.654 55.562 56.100 0.193 0.000 0.882 453 R CB 1.863 32.398 30.300 0.390 0.000 1.143 453 R HN 0.746 nan 8.270 nan 0.000 0.452 454 E N 1.470 121.680 120.200 0.017 0.000 2.256 454 E HA 0.409 4.759 4.350 -0.000 0.000 0.267 454 E C -0.924 175.431 176.600 -0.409 0.000 0.892 454 E CA -1.100 55.191 56.400 -0.181 0.000 0.775 454 E CB 2.561 32.033 29.700 -0.379 0.000 1.207 454 E HN 0.095 nan 8.360 nan 0.000 0.420 455 L N 2.412 123.205 121.223 -0.718 0.000 2.313 455 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 455 L C -1.463 175.053 176.870 -0.590 0.000 1.013 455 L CA -0.666 53.609 54.840 -0.943 0.000 0.816 455 L CB 1.603 42.721 42.059 -1.569 0.000 1.236 455 L HN 0.316 nan 8.230 nan 0.000 0.419 456 V N 5.664 125.124 119.914 -0.757 0.000 2.448 456 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 456 V C -0.485 175.290 176.094 -0.532 0.000 1.025 456 V CA -0.746 61.131 62.300 -0.705 0.000 0.859 456 V CB 1.890 32.998 31.823 -1.191 0.000 0.988 456 V HN 0.479 nan 8.190 nan 0.000 0.431 457 V N 5.840 125.663 119.914 -0.153 0.000 2.333 457 V HA 0.495 4.615 4.120 -0.000 0.000 0.274 457 V C 0.177 176.382 176.094 0.185 0.000 1.028 457 V CA -0.503 61.805 62.300 0.012 0.000 0.851 457 V CB 1.230 33.108 31.823 0.092 0.000 1.000 457 V HN 0.868 nan 8.190 nan 0.000 0.456 458 R N 4.088 124.724 120.500 0.226 0.000 2.445 458 R HA 0.539 4.879 4.340 -0.000 0.000 0.308 458 R C -1.779 174.785 176.300 0.440 0.000 0.961 458 R CA -0.606 55.712 56.100 0.364 0.000 0.862 458 R CB 1.614 32.160 30.300 0.411 0.000 1.144 458 R HN 0.680 nan 8.270 nan 0.000 0.447 459 W N 6.842 128.315 121.300 0.288 0.000 2.998 459 W HA 0.540 5.199 4.660 -0.000 0.000 0.335 459 W C -1.902 174.795 176.519 0.298 0.000 1.110 459 W CA -0.834 56.666 57.345 0.259 0.000 1.230 459 W CB 1.126 30.739 29.460 0.254 0.000 1.405 459 W HN 0.417 nan 8.180 nan 0.000 0.493 460 I N 5.561 125.900 120.570 -0.384 0.000 2.436 460 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 460 I C -0.222 175.468 176.117 -0.711 0.000 1.010 460 I CA -0.931 60.075 61.300 -0.490 0.000 1.098 460 I CB 1.873 39.756 38.000 -0.196 0.000 1.266 460 I HN 0.380 nan 8.210 nan 0.000 0.434 461 S N 3.698 118.986 115.700 -0.688 0.000 2.513 461 S HA 0.651 5.121 4.470 -0.000 0.000 0.299 461 S C -0.673 173.835 174.600 -0.154 0.000 1.087 461 S CA -0.272 57.717 58.200 -0.352 0.000 1.012 461 S CB 1.688 64.696 63.200 -0.321 0.000 1.044 461 S HN 0.584 nan 8.310 nan 0.000 0.485 462 T N 3.644 118.150 114.554 -0.079 0.000 2.809 462 T HA 0.525 4.875 4.350 -0.000 0.000 0.284 462 T C -1.146 173.533 174.700 -0.035 0.000 0.992 462 T CA -0.443 61.590 62.100 -0.112 0.000 0.957 462 T CB 1.205 69.997 68.868 -0.126 0.000 0.942 462 T HN 0.456 nan 8.240 nan 0.000 0.439 463 V N 3.623 123.500 119.914 -0.062 0.000 2.357 463 V HA 0.680 4.800 4.120 -0.000 0.000 0.281 463 V C 1.059 177.096 176.094 -0.096 0.000 1.015 463 V CA 0.115 62.408 62.300 -0.012 0.000 0.827 463 V CB 0.387 32.241 31.823 0.051 0.000 1.018 463 V HN 1.220 nan 8.190 nan 0.000 0.432 464 G N 5.737 114.561 108.800 0.040 0.000 2.601 464 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.306 464 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.306 464 G C 0.271 175.085 174.900 -0.143 0.000 1.172 464 G CA 0.554 45.744 45.100 0.151 0.000 0.966 464 G HN 0.933 nan 8.290 nan 0.000 0.542 468 Y N 0.702 120.825 120.300 -0.294 0.000 2.393 468 Y HA 0.674 5.224 4.550 -0.000 0.000 0.341 468 Y C 0.008 175.594 175.900 -0.524 0.000 0.988 468 Y CA -0.900 56.951 58.100 -0.414 0.000 1.078 468 Y CB 1.414 39.733 38.460 -0.235 0.000 1.203 468 Y HN 0.238 nan 8.280 nan 0.000 0.453 469 I N 3.623 123.862 120.570 -0.551 0.000 2.474 469 I HA 0.441 4.610 4.170 -0.000 0.000 0.294 469 I C -1.299 174.491 176.117 -0.546 0.000 1.005 469 I CA -0.716 60.340 61.300 -0.408 0.000 1.113 469 I CB 1.432 39.231 38.000 -0.335 0.000 1.289 469 I HN 0.365 nan 8.210 nan 0.000 0.436 470 F N 3.016 123.038 119.950 0.118 0.000 2.518 470 F HA 0.400 4.927 4.527 -0.000 0.000 0.323 470 F C -0.434 175.507 175.800 0.235 0.000 1.129 470 F CA -0.759 57.360 58.000 0.198 0.000 0.920 470 F CB 1.590 40.843 39.000 0.422 0.000 1.160 470 F HN 0.319 nan 8.300 nan 0.000 0.440 471 D N 2.655 123.179 120.400 0.207 0.000 2.344 471 D HA 0.216 4.856 4.640 -0.000 0.000 0.239 471 D C -1.268 174.919 176.300 -0.189 0.000 1.064 471 D CA -0.239 53.815 54.000 0.091 0.000 0.829 471 D CB 1.087 41.901 40.800 0.024 0.000 1.129 471 D HN 0.321 nan 8.370 nan 0.000 0.506 472 W N 3.080 124.297 121.300 -0.138 0.000 2.308 472 W HA 0.461 5.121 4.660 -0.000 0.000 0.311 472 W C 0.101 176.322 176.519 -0.497 0.000 1.088 472 W CA -0.567 56.564 57.345 -0.356 0.000 1.309 472 W CB 0.509 29.781 29.460 -0.314 0.000 1.229 472 W HN 0.138 nan 8.180 nan 0.000 0.427 473 I N 4.554 124.831 120.570 -0.487 0.000 2.355 473 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 473 I C -0.936 174.848 176.117 -0.555 0.000 0.999 473 I CA -0.945 60.098 61.300 -0.428 0.000 1.163 473 I CB 0.651 38.474 38.000 -0.296 0.000 1.316 473 I HN 0.100 nan 8.210 nan 0.000 0.454 474 F N 4.657 124.373 119.950 -0.391 0.000 2.334 474 F HA 0.364 4.891 4.527 -0.000 0.000 0.367 474 F C 0.871 176.678 175.800 0.011 0.000 1.115 474 F CA -0.475 57.264 58.000 -0.436 0.000 1.116 474 F CB 0.256 38.731 39.000 -0.874 0.000 1.230 474 F HN 0.389 nan 8.300 nan 0.000 0.484 475 H N 2.714 121.939 119.070 0.259 0.000 2.652 475 H HA 0.075 4.631 4.556 -0.000 0.000 0.349 475 H C 0.911 176.714 175.328 0.791 0.000 1.099 475 H CA -0.174 56.129 56.048 0.425 0.000 1.417 475 H CB 1.309 31.226 29.762 0.259 0.000 1.457 475 H HN 0.733 nan 8.280 nan 0.000 0.568 476 E N 1.637 122.261 120.200 0.707 0.000 2.130 476 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 476 E C 1.160 178.013 176.600 0.422 0.000 0.998 476 E CA 1.506 58.184 56.400 0.463 0.000 0.806 476 E CB 0.081 29.886 29.700 0.174 0.000 0.738 476 E HN 0.620 nan 8.360 nan 0.000 0.459 477 N N -1.071 117.849 118.700 0.366 0.000 2.449 477 N HA 0.017 4.756 4.740 -0.000 0.000 0.191 477 N C 0.976 176.544 175.510 0.097 0.000 1.161 477 N CA 0.961 54.102 53.050 0.152 0.000 0.863 477 N CB 0.750 39.292 38.487 0.093 0.000 0.980 477 N HN 0.177 nan 8.380 nan 0.000 0.458 478 G N -1.705 107.360 108.800 0.441 0.000 2.238 478 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 478 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 478 G C 0.135 175.450 174.900 0.691 0.000 0.996 478 G CA 0.137 45.502 45.100 0.440 0.000 0.632 478 G HN 0.443 nan 8.290 nan 0.000 0.503 479 T N 1.316 116.109 114.554 0.398 0.000 2.918 479 T HA 0.561 4.911 4.350 -0.000 0.000 0.302 479 T C 0.296 175.076 174.700 0.133 0.000 1.045 479 T CA 0.552 62.729 62.100 0.130 0.000 1.114 479 T CB 1.463 70.117 68.868 -0.358 0.000 0.965 479 T HN 0.344 nan 8.240 nan 0.000 0.540 480 I N 1.892 122.452 120.570 -0.017 0.000 2.447 480 I HA 0.488 4.658 4.170 -0.000 0.000 0.287 480 I C 0.718 176.682 176.117 -0.254 0.000 1.023 480 I CA -0.641 60.518 61.300 -0.235 0.000 1.083 480 I CB 1.798 39.568 38.000 -0.383 0.000 1.245 480 I HN 0.706 nan 8.210 nan 0.000 0.434 481 G N 6.665 115.325 108.800 -0.234 0.000 2.410 481 G HA2 0.818 4.778 3.960 -0.000 0.000 0.330 481 G HA3 0.818 4.778 3.960 -0.000 0.000 0.330 481 G C -0.771 173.870 174.900 -0.433 0.000 1.142 481 G CA -0.454 44.500 45.100 -0.244 0.000 0.902 481 G HN 0.500 nan 8.290 nan 0.000 0.491 482 I N 1.362 121.638 120.570 -0.491 0.000 2.497 482 I HA 0.250 4.420 4.170 -0.000 0.000 0.284 482 I C -1.441 174.368 176.117 -0.513 0.000 1.060 482 I CA -0.766 60.067 61.300 -0.777 0.000 1.071 482 I CB 2.247 39.474 38.000 -1.289 0.000 1.216 482 I HN 0.245 nan 8.210 nan 0.000 0.442 483 D N 5.044 125.245 120.400 -0.331 0.000 2.252 483 D HA 0.738 5.378 4.640 -0.000 0.000 0.245 483 D C -0.541 175.734 176.300 -0.042 0.000 1.009 483 D CA -0.272 53.684 54.000 -0.074 0.000 0.870 483 D CB 2.393 43.242 40.800 0.082 0.000 1.251 483 D HN 0.570 nan 8.370 nan 0.000 0.460 484 A N 0.909 123.649 122.820 -0.133 0.000 2.335 484 A HA 0.739 5.059 4.320 -0.000 0.000 0.304 484 A C 0.091 177.274 177.584 -0.668 0.000 1.118 484 A CA -0.667 51.010 52.037 -0.599 0.000 0.757 484 A CB 1.283 19.629 19.000 -1.090 0.000 1.188 484 A HN 0.490 nan 8.150 nan 0.000 0.460 485 G N 0.496 108.675 108.800 -1.035 0.000 2.400 485 G HA2 0.732 4.692 3.960 -0.000 0.000 0.333 485 G HA3 0.732 4.692 3.960 -0.000 0.000 0.333 485 G C -0.430 173.956 174.900 -0.857 0.000 1.143 485 G CA 0.006 44.224 45.100 -1.470 0.000 0.914 485 G HN 1.593 nan 8.290 nan 0.000 0.480 486 A N 0.847 123.239 122.820 -0.714 0.000 2.359 486 A HA 0.878 5.198 4.320 -0.000 0.000 0.303 486 A C -0.182 177.095 177.584 -0.511 0.000 1.066 486 A CA -0.379 51.373 52.037 -0.475 0.000 0.730 486 A CB 2.083 20.851 19.000 -0.388 0.000 1.211 486 A HN 1.087 nan 8.150 nan 0.000 0.439 487 T N 0.475 114.735 114.554 -0.489 0.000 2.618 487 T HA 0.839 5.189 4.350 -0.000 0.000 0.293 487 T C 0.397 174.845 174.700 -0.419 0.000 1.093 487 T CA 1.008 62.867 62.100 -0.401 0.000 1.061 487 T CB 0.907 69.555 68.868 -0.368 0.000 1.498 487 T HN 2.718 nan 8.240 nan 0.000 0.494 488 G N 0.607 109.172 108.800 -0.391 0.000 2.443 488 G HA2 0.024 3.984 3.960 -0.000 0.000 0.209 488 G HA3 0.024 3.984 3.960 -0.000 0.000 0.209 488 G C -1.451 173.184 174.900 -0.442 0.000 1.176 488 G CA -0.190 44.629 45.100 -0.468 0.000 1.074 488 G HN 0.883 nan 8.290 nan 0.000 0.577 489 I N 1.526 121.783 120.570 -0.521 0.000 2.406 489 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 489 I C 0.513 176.437 176.117 -0.321 0.000 0.999 489 I CA -0.656 60.368 61.300 -0.460 0.000 1.124 489 I CB 1.160 38.736 38.000 -0.707 0.000 1.289 489 I HN 0.664 nan 8.210 nan 0.000 0.441 490 E N 3.169 123.378 120.200 0.015 0.000 2.398 490 E HA 0.371 4.721 4.350 -0.000 0.000 0.263 490 E C 0.003 176.679 176.600 0.126 0.000 1.046 490 E CA -0.342 56.126 56.400 0.113 0.000 0.908 490 E CB 1.118 30.968 29.700 0.251 0.000 0.963 490 E HN 0.720 nan 8.360 nan 0.000 0.431 491 A N 2.689 125.575 122.820 0.110 0.000 2.354 491 A HA 0.358 4.678 4.320 -0.000 0.000 0.281 491 A C -0.194 177.647 177.584 0.429 0.000 1.174 491 A CA -0.570 51.623 52.037 0.259 0.000 0.828 491 A CB -0.034 19.050 19.000 0.140 0.000 1.099 491 A HN 0.374 nan 8.150 nan 0.000 0.516 492 V N 0.615 120.812 119.914 0.471 0.000 2.715 492 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 492 V C -0.212 176.189 176.094 0.511 0.000 1.054 492 V CA -1.104 61.386 62.300 0.316 0.000 0.928 492 V CB 1.635 33.461 31.823 0.005 0.000 1.007 492 V HN 0.846 nan 8.190 nan 0.000 0.437 493 K N 2.596 123.180 120.400 0.307 0.000 2.211 493 K HA 0.597 4.917 4.320 -0.000 0.000 0.275 493 K C 0.337 177.033 176.600 0.160 0.000 1.024 493 K CA -0.165 56.333 56.287 0.352 0.000 0.887 493 K CB 1.199 33.690 32.500 -0.015 0.000 1.084 493 K HN 1.190 nan 8.250 nan 0.000 0.463 494 G N 2.960 111.871 108.800 0.186 0.000 2.354 494 G HA2 0.368 4.328 3.960 -0.000 0.000 0.266 494 G HA3 0.368 4.328 3.960 -0.000 0.000 0.266 494 G C -0.386 174.563 174.900 0.081 0.000 1.242 494 G CA -0.410 44.761 45.100 0.118 0.000 0.923 494 G HN 0.474 nan 8.290 nan 0.000 0.476 495 V N 0.389 120.332 119.914 0.048 0.000 3.040 495 V HA 0.572 4.692 4.120 -0.000 0.000 0.312 495 V C 0.889 177.003 176.094 0.033 0.000 1.115 495 V CA -1.155 61.163 62.300 0.030 0.000 0.998 495 V CB 2.135 33.956 31.823 -0.002 0.000 1.042 495 V HN 0.645 nan 8.190 nan 0.000 0.433 496 K N 1.525 121.941 120.400 0.026 0.000 2.062 496 K HA 0.230 4.550 4.320 -0.000 0.000 0.205 496 K C 1.163 177.779 176.600 0.027 0.000 1.051 496 K CA 1.364 57.667 56.287 0.027 0.000 0.941 496 K CB -0.180 32.332 32.500 0.020 0.000 0.719 496 K HN 0.973 nan 8.250 nan 0.000 0.440 497 A N 1.861 124.692 122.820 0.018 0.000 2.498 497 A HA -0.029 4.291 4.320 -0.000 0.000 0.239 497 A C 0.570 178.182 177.584 0.047 0.000 1.068 497 A CA 0.406 52.455 52.037 0.020 0.000 0.766 497 A CB 0.283 19.283 19.000 -0.001 0.000 1.003 497 A HN 0.242 nan 8.150 nan 0.000 0.497 498 K N -0.033 120.408 120.400 0.067 0.000 2.365 498 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 498 K C 0.579 177.320 176.600 0.236 0.000 1.079 498 K CA 1.122 57.496 56.287 0.145 0.000 0.979 498 K CB 0.474 32.989 32.500 0.025 0.000 0.929 498 K HN 0.918 nan 8.250 nan 0.000 0.523 499 T N -3.167 111.455 114.554 0.114 0.000 2.778 499 T HA 0.262 4.612 4.350 -0.000 0.000 0.293 499 T C 0.465 175.136 174.700 -0.048 0.000 1.144 499 T CA -0.834 61.302 62.100 0.060 0.000 1.010 499 T CB 1.084 70.016 68.868 0.108 0.000 1.325 499 T HN -0.284 nan 8.240 nan 0.000 0.515 500 M N 0.822 120.309 119.600 -0.189 0.000 2.686 500 M HA 0.067 4.547 4.480 -0.000 0.000 0.246 500 M C 1.275 177.415 176.300 -0.267 0.000 1.096 500 M CA 0.875 56.029 55.300 -0.244 0.000 1.076 500 M CB -1.400 31.023 32.600 -0.296 0.000 1.504 500 M HN 0.618 nan 8.290 nan 0.000 0.524 501 H N -0.839 118.234 119.070 0.006 0.000 2.563 501 H HA 0.175 4.731 4.556 -0.000 0.000 0.264 501 H C -0.006 175.322 175.328 -0.001 0.000 0.957 501 H CA -0.029 56.020 56.048 0.002 0.000 1.173 501 H CB 0.162 29.927 29.762 0.006 0.000 1.420 501 H HN 0.241 nan 8.280 nan 0.000 0.551 502 D N 1.082 121.532 120.400 0.083 0.000 2.368 502 D HA -0.020 4.620 4.640 -0.000 0.000 0.240 502 D C 1.408 177.723 176.300 0.025 0.000 1.169 502 D CA 0.009 54.039 54.000 0.050 0.000 0.906 502 D CB 1.073 41.894 40.800 0.034 0.000 1.187 502 D HN 0.312 nan 8.370 nan 0.000 0.435 503 E N -0.268 119.943 120.200 0.019 0.000 2.153 503 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 503 E C 1.351 177.949 176.600 -0.004 0.000 0.988 503 E CA 1.317 57.721 56.400 0.008 0.000 0.811 503 E CB -0.244 29.460 29.700 0.007 0.000 0.746 503 E HN 0.540 nan 8.360 nan 0.000 0.466 504 T N -1.580 112.970 114.554 -0.006 0.000 3.081 504 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 504 T C 1.975 176.656 174.700 -0.033 0.000 1.100 504 T CA 0.309 62.399 62.100 -0.017 0.000 1.038 504 T CB 0.310 69.172 68.868 -0.009 0.000 0.962 504 T HN 0.180 nan 8.240 nan 0.000 0.516 505 A N 2.730 125.531 122.820 -0.032 0.000 1.915 505 A HA -0.262 4.058 4.320 -0.000 0.000 0.220 505 A C 2.325 179.864 177.584 -0.075 0.000 1.198 505 A CA 2.367 54.372 52.037 -0.053 0.000 0.647 505 A CB -0.839 18.127 19.000 -0.057 0.000 0.825 505 A HN 0.595 nan 8.150 nan 0.000 0.456 506 K N -0.850 119.507 120.400 -0.071 0.000 2.001 506 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 506 K C 1.519 178.046 176.600 -0.121 0.000 1.048 506 K CA 1.712 57.945 56.287 -0.090 0.000 0.932 506 K CB -0.221 32.235 32.500 -0.072 0.000 0.715 506 K HN 0.435 nan 8.250 nan 0.000 0.437 507 D N 0.941 121.279 120.400 -0.103 0.000 2.144 507 D HA -0.140 4.500 4.640 -0.000 0.000 0.200 507 D C 1.455 177.671 176.300 -0.140 0.000 0.978 507 D CA 1.033 54.958 54.000 -0.124 0.000 0.833 507 D CB -0.312 40.446 40.800 -0.071 0.000 0.961 507 D HN 0.274 nan 8.370 nan 0.000 0.470 508 D N -0.257 120.083 120.400 -0.099 0.000 2.263 508 D HA -0.092 4.548 4.640 -0.000 0.000 0.208 508 D C 1.717 177.942 176.300 -0.126 0.000 0.971 508 D CA 1.182 55.130 54.000 -0.087 0.000 0.867 508 D CB -0.096 40.667 40.800 -0.061 0.000 0.929 508 D HN 0.326 nan 8.370 nan 0.000 0.492 509 T N -3.052 111.407 114.554 -0.158 0.000 3.182 509 T HA 0.193 4.543 4.350 -0.000 0.000 0.277 509 T C 1.404 175.959 174.700 -0.242 0.000 1.013 509 T CA -0.522 61.475 62.100 -0.172 0.000 0.900 509 T CB 0.487 69.271 68.868 -0.139 0.000 1.098 509 T HN -0.056 nan 8.240 nan 0.000 0.543 510 R N 0.107 120.377 120.500 -0.384 0.000 2.152 510 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 510 R C 0.429 176.344 176.300 -0.641 0.000 1.117 510 R CA 1.412 57.147 56.100 -0.608 0.000 0.981 510 R CB -0.080 29.645 30.300 -0.958 0.000 0.870 510 R HN 0.542 nan 8.270 nan 0.000 0.451 511 Y N -1.831 118.387 120.300 -0.136 0.000 2.588 511 Y HA 0.480 5.030 4.550 -0.000 0.000 0.247 511 Y C 0.527 176.315 175.900 -0.186 0.000 1.157 511 Y CA 0.019 58.023 58.100 -0.160 0.000 1.215 511 Y CB 1.582 39.930 38.460 -0.185 0.000 1.245 511 Y HN 0.122 nan 8.280 nan 0.000 0.534 512 G N -0.896 107.850 108.800 -0.090 0.000 2.466 512 G HA2 0.380 4.340 3.960 -0.000 0.000 0.291 512 G HA3 0.380 4.340 3.960 -0.000 0.000 0.291 512 G C -1.231 173.588 174.900 -0.134 0.000 1.460 512 G CA -0.868 44.158 45.100 -0.123 0.000 0.791 512 G HN -0.210 nan 8.290 nan 0.000 0.505 513 T N 0.551 115.025 114.554 -0.133 0.000 2.897 513 T HA 0.391 4.741 4.350 -0.000 0.000 0.294 513 T C 0.224 174.840 174.700 -0.140 0.000 1.004 513 T CA -0.140 61.887 62.100 -0.122 0.000 1.106 513 T CB 1.483 70.291 68.868 -0.100 0.000 0.949 513 T HN 0.516 nan 8.240 nan 0.000 0.520 514 L N 5.081 126.226 121.223 -0.130 0.000 2.363 514 L HA 0.316 4.656 4.340 -0.000 0.000 0.286 514 L C 1.006 177.783 176.870 -0.156 0.000 1.106 514 L CA 0.143 54.897 54.840 -0.142 0.000 0.859 514 L CB -0.353 41.639 42.059 -0.113 0.000 1.223 514 L HN 0.727 nan 8.230 nan 0.000 0.446 515 I N -0.204 120.232 120.570 -0.223 0.000 3.708 515 I HA 0.411 4.581 4.170 -0.000 0.000 0.302 515 I C 0.004 175.959 176.117 -0.270 0.000 1.255 515 I CA 0.107 61.275 61.300 -0.221 0.000 1.362 515 I CB 0.301 38.157 38.000 -0.241 0.000 1.100 515 I HN 0.432 nan 8.210 nan 0.000 0.434 516 D N -0.215 119.974 120.400 -0.353 0.000 2.583 516 D HA 0.266 4.906 4.640 -0.000 0.000 0.248 516 D C -0.792 175.388 176.300 -0.200 0.000 1.209 516 D CA -0.514 53.313 54.000 -0.289 0.000 0.848 516 D CB 1.430 42.075 40.800 -0.259 0.000 1.431 516 D HN 0.013 nan 8.370 nan 0.000 0.436 517 H N 2.276 121.349 119.070 0.006 0.000 3.125 517 H HA 0.078 4.634 4.556 -0.000 0.000 0.310 517 H C 0.657 175.989 175.328 0.006 0.000 0.980 517 H CA 0.863 56.920 56.048 0.014 0.000 1.422 517 H CB 0.127 29.919 29.762 0.050 0.000 1.432 517 H HN 0.397 nan 8.280 nan 0.000 0.577 518 N N 1.344 120.107 118.700 0.105 0.000 2.828 518 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 518 N C -0.426 175.091 175.510 0.013 0.000 1.044 518 N CA 0.925 54.013 53.050 0.064 0.000 0.851 518 N CB -0.972 37.576 38.487 0.103 0.000 1.136 518 N HN 0.551 nan 8.380 nan 0.000 0.572 519 I N 0.876 121.401 120.570 -0.074 0.000 2.478 519 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 519 I C -0.323 175.635 176.117 -0.264 0.000 1.042 519 I CA -0.711 60.473 61.300 -0.193 0.000 1.067 519 I CB 2.492 40.263 38.000 -0.380 0.000 1.233 519 I HN -0.309 nan 8.210 nan 0.000 0.431 520 V N 4.798 124.588 119.914 -0.208 0.000 2.487 520 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 520 V C 0.537 176.501 176.094 -0.216 0.000 1.028 520 V CA -0.531 61.645 62.300 -0.207 0.000 0.860 520 V CB 1.911 33.638 31.823 -0.160 0.000 0.991 520 V HN 0.873 nan 8.190 nan 0.000 0.427 521 G N 3.145 111.814 108.800 -0.219 0.000 2.621 521 G HA2 0.286 4.246 3.960 -0.000 0.000 0.306 521 G HA3 0.286 4.246 3.960 -0.000 0.000 0.306 521 G C 0.348 175.165 174.900 -0.140 0.000 0.893 521 G CA -0.086 44.921 45.100 -0.155 0.000 1.486 521 G HN 0.652 nan 8.290 nan 0.000 0.477 522 T N 2.339 116.782 114.554 -0.184 0.000 2.905 522 T HA 0.061 4.411 4.350 -0.000 0.000 0.299 522 T C 1.142 175.864 174.700 0.037 0.000 1.024 522 T CA 0.478 62.440 62.100 -0.230 0.000 1.151 522 T CB 0.468 68.926 68.868 -0.683 0.000 0.987 522 T HN 0.404 nan 8.240 nan 0.000 0.535 523 T N 5.302 119.840 114.554 -0.027 0.000 2.930 523 T HA 0.251 4.601 4.350 -0.000 0.000 0.306 523 T C 0.293 174.976 174.700 -0.029 0.000 1.045 523 T CA -0.196 61.866 62.100 -0.063 0.000 1.134 523 T CB 0.004 68.809 68.868 -0.105 0.000 0.961 523 T HN 0.820 nan 8.240 nan 0.000 0.545 524 H N 0.533 119.395 119.070 -0.348 0.000 2.928 524 H HA 0.510 5.066 4.556 -0.000 0.000 0.285 524 H C -1.335 173.781 175.328 -0.353 0.000 1.438 524 H CA -1.145 54.596 56.048 -0.513 0.000 1.176 524 H CB 1.080 30.123 29.762 -1.198 0.000 1.864 524 H HN 0.502 nan 8.280 nan 0.000 0.567 525 Q N 0.230 119.841 119.800 -0.315 0.000 2.387 525 Q HA 0.352 4.692 4.340 -0.000 0.000 0.273 525 Q C -0.974 174.831 176.000 -0.324 0.000 1.089 525 Q CA -0.940 54.708 55.803 -0.259 0.000 0.824 525 Q CB 2.699 31.383 28.738 -0.090 0.000 1.367 525 Q HN 0.500 nan 8.270 nan 0.000 0.443 526 H N 1.935 120.946 119.070 -0.097 0.000 2.511 526 H HA 0.454 5.010 4.556 -0.000 0.000 0.328 526 H C -0.688 174.410 175.328 -0.383 0.000 1.044 526 H CA -0.274 55.633 56.048 -0.235 0.000 1.212 526 H CB 0.930 30.570 29.762 -0.202 0.000 1.428 526 H HN 0.459 nan 8.280 nan 0.000 0.483 527 I N 4.968 125.336 120.570 -0.337 0.000 2.448 527 I HA 0.160 4.330 4.170 -0.000 0.000 0.281 527 I C -0.891 175.108 176.117 -0.197 0.000 1.027 527 I CA -0.683 60.498 61.300 -0.198 0.000 1.111 527 I CB 0.755 38.722 38.000 -0.055 0.000 1.236 527 I HN 0.370 nan 8.210 nan 0.000 0.452 528 Y N 4.539 124.893 120.300 0.089 0.000 2.334 528 Y HA 0.431 4.981 4.550 -0.000 0.000 0.328 528 Y C 0.451 176.273 175.900 -0.130 0.000 1.130 528 Y CA -0.717 57.337 58.100 -0.075 0.000 1.163 528 Y CB 1.002 39.373 38.460 -0.148 0.000 1.207 528 Y HN 0.474 nan 8.280 nan 0.000 0.471 529 N N 2.369 120.970 118.700 -0.165 0.000 2.352 529 N HA 0.340 5.080 4.740 -0.000 0.000 0.291 529 N C -2.206 173.123 175.510 -0.301 0.000 1.040 529 N CA -0.434 52.550 53.050 -0.110 0.000 0.864 529 N CB 0.935 39.397 38.487 -0.042 0.000 1.440 529 N HN 0.451 nan 8.380 nan 0.000 0.483 530 F N 1.724 121.784 119.950 0.183 0.000 2.427 530 F HA 0.441 4.968 4.527 -0.000 0.000 0.346 530 F C 1.054 176.858 175.800 0.006 0.000 1.120 530 F CA -0.831 57.225 58.000 0.094 0.000 1.033 530 F CB 1.361 40.371 39.000 0.018 0.000 1.126 530 F HN 0.229 nan 8.300 nan 0.000 0.462 531 R N 4.714 125.225 120.500 0.017 0.000 2.202 531 R HA 0.572 4.912 4.340 -0.000 0.000 0.334 531 R C -1.590 174.526 176.300 -0.307 0.000 1.036 531 R CA -0.322 55.476 56.100 -0.502 0.000 0.878 531 R CB 0.289 30.135 30.300 -0.757 0.000 1.067 531 R HN 0.803 nan 8.270 nan 0.000 0.457 532 L N 4.743 125.760 121.223 -0.344 0.000 2.433 532 L HA 0.224 4.564 4.340 -0.000 0.000 0.256 532 L C -0.430 176.345 176.870 -0.158 0.000 1.063 532 L CA -0.743 54.004 54.840 -0.154 0.000 0.922 532 L CB 1.500 43.524 42.059 -0.059 0.000 1.238 532 L HN 0.547 nan 8.230 nan 0.000 0.466 533 D N 3.776 124.100 120.400 -0.127 0.000 2.597 533 D HA 0.141 4.781 4.640 -0.000 0.000 0.228 533 D C 0.164 176.486 176.300 0.037 0.000 1.120 533 D CA 0.053 54.034 54.000 -0.031 0.000 1.083 533 D CB 0.091 40.912 40.800 0.036 0.000 1.116 533 D HN 0.315 nan 8.370 nan 0.000 0.487 534 L N 1.877 123.110 121.223 0.015 0.000 2.453 534 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 534 L C 0.296 177.218 176.870 0.086 0.000 1.182 534 L CA 0.241 55.102 54.840 0.035 0.000 0.858 534 L CB 0.533 42.584 42.059 -0.014 0.000 1.120 534 L HN 0.112 nan 8.230 nan 0.000 0.474 535 D N 2.372 122.856 120.400 0.139 0.000 2.434 535 D HA 0.185 4.825 4.640 -0.000 0.000 0.275 535 D C -0.486 175.874 176.300 0.100 0.000 1.172 535 D CA -0.236 53.838 54.000 0.123 0.000 0.916 535 D CB 1.471 42.389 40.800 0.197 0.000 1.041 535 D HN 0.026 nan 8.370 nan 0.000 0.501 536 V N 2.622 122.605 119.914 0.114 0.000 2.400 536 V HA -0.022 4.098 4.120 -0.000 0.000 0.263 536 V C 1.012 177.241 176.094 0.226 0.000 1.026 536 V CA 0.191 62.623 62.300 0.220 0.000 1.077 536 V CB 0.156 32.135 31.823 0.260 0.000 1.054 536 V HN 0.565 nan 8.190 nan 0.000 0.477 537 D N 3.606 124.172 120.400 0.277 0.000 2.955 537 D HA -0.153 4.487 4.640 -0.000 0.000 0.226 537 D C 0.333 176.605 176.300 -0.047 0.000 1.178 537 D CA 1.801 55.856 54.000 0.092 0.000 0.808 537 D CB -0.951 39.801 40.800 -0.079 0.000 1.099 537 D HN 1.204 nan 8.370 nan 0.000 0.421 538 G N -1.098 107.663 108.800 -0.066 0.000 2.352 538 G HA2 0.158 4.118 3.960 -0.000 0.000 0.305 538 G HA3 0.158 4.118 3.960 -0.000 0.000 0.305 538 G C 0.134 174.988 174.900 -0.076 0.000 1.537 538 G CA 0.277 45.304 45.100 -0.122 0.000 0.959 538 G HN 0.081 nan 8.290 nan 0.000 0.668 539 E N -0.230 119.912 120.200 -0.097 0.000 2.153 539 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 539 E C 0.248 176.839 176.600 -0.014 0.000 0.988 539 E CA 0.829 57.199 56.400 -0.050 0.000 0.811 539 E CB -0.055 29.608 29.700 -0.061 0.000 0.746 539 E HN 0.323 nan 8.360 nan 0.000 0.466 540 N N 1.661 120.353 118.700 -0.013 0.000 2.462 540 N HA 0.201 4.941 4.740 -0.000 0.000 0.242 540 N C -1.318 174.203 175.510 0.018 0.000 1.010 540 N CA -0.047 53.006 53.050 0.006 0.000 0.939 540 N CB 1.154 39.641 38.487 0.000 0.000 1.127 540 N HN 0.205 nan 8.380 nan 0.000 0.509 541 N N -0.219 118.500 118.700 0.033 0.000 2.629 541 N HA 0.568 5.308 4.740 -0.000 0.000 0.279 541 N C -1.018 174.519 175.510 0.045 0.000 1.344 541 N CA -0.714 52.363 53.050 0.044 0.000 0.789 541 N CB 1.438 39.961 38.487 0.059 0.000 1.508 541 N HN 0.184 nan 8.380 nan 0.000 0.516 542 S N 0.315 116.042 115.700 0.046 0.000 2.588 542 S HA 0.464 4.934 4.470 -0.000 0.000 0.275 542 S C -1.724 172.898 174.600 0.037 0.000 1.130 542 S CA -0.601 57.624 58.200 0.042 0.000 0.855 542 S CB 1.758 64.978 63.200 0.033 0.000 1.116 542 S HN 0.405 nan 8.310 nan 0.000 0.472 543 L N 2.610 123.854 121.223 0.035 0.000 2.280 543 L HA 0.725 5.065 4.340 -0.000 0.000 0.287 543 L C -1.393 175.464 176.870 -0.021 0.000 1.023 543 L CA -0.244 54.608 54.840 0.021 0.000 0.819 543 L CB 0.861 42.948 42.059 0.046 0.000 1.212 543 L HN 0.480 nan 8.230 nan 0.000 0.420 544 V N 4.987 124.859 119.914 -0.070 0.000 2.487 544 V HA 0.802 4.922 4.120 -0.000 0.000 0.298 544 V C 0.168 176.114 176.094 -0.247 0.000 1.028 544 V CA -0.554 61.659 62.300 -0.145 0.000 0.860 544 V CB 1.448 33.196 31.823 -0.125 0.000 0.991 544 V HN 0.930 nan 8.190 nan 0.000 0.427 545 A N 6.130 128.692 122.820 -0.430 0.000 2.306 545 A HA 0.914 5.234 4.320 -0.000 0.000 0.314 545 A C -0.391 176.875 177.584 -0.529 0.000 1.164 545 A CA -0.500 51.209 52.037 -0.546 0.000 0.822 545 A CB 0.721 19.189 19.000 -0.886 0.000 1.130 545 A HN 0.839 nan 8.150 nan 0.000 0.496 546 M N 2.796 122.189 119.600 -0.345 0.000 2.035 546 M HA 0.233 4.713 4.480 -0.000 0.000 0.286 546 M C -1.579 174.638 176.300 -0.139 0.000 0.907 546 M CA -0.451 54.712 55.300 -0.229 0.000 0.935 546 M CB 1.650 34.116 32.600 -0.224 0.000 1.557 546 M HN 0.538 nan 8.290 nan 0.000 0.426 547 D N 5.160 125.523 120.400 -0.063 0.000 2.428 547 D HA 0.326 4.966 4.640 -0.000 0.000 0.221 547 D C -2.415 173.893 176.300 0.013 0.000 1.123 547 D CA -1.400 52.596 54.000 -0.006 0.000 0.869 547 D CB 0.914 41.758 40.800 0.074 0.000 1.032 547 D HN 0.152 nan 8.370 nan 0.000 0.506 548 P HA -0.011 nan 4.420 nan 0.000 0.264 548 P C -0.356 176.956 177.300 0.019 0.000 1.193 548 P CA -0.145 62.966 63.100 0.018 0.000 0.763 548 P CB 0.713 32.425 31.700 0.020 0.000 0.810 549 V N 1.199 121.127 119.914 0.025 0.000 3.078 549 V HA 0.553 4.673 4.120 -0.000 0.000 0.311 549 V C -0.538 175.568 176.094 0.019 0.000 1.138 549 V CA -1.150 61.163 62.300 0.021 0.000 1.007 549 V CB 2.173 34.011 31.823 0.026 0.000 1.045 549 V HN 0.102 nan 8.190 nan 0.000 0.432 550 V N 2.453 122.376 119.914 0.015 0.000 2.383 550 V HA 0.493 4.613 4.120 -0.000 0.000 0.275 550 V C 0.229 176.330 176.094 0.012 0.000 1.036 550 V CA -0.291 62.017 62.300 0.013 0.000 0.889 550 V CB 0.810 32.639 31.823 0.010 0.000 0.985 550 V HN 0.932 nan 8.190 nan 0.000 0.459 551 K N 5.298 125.706 120.400 0.013 0.000 2.267 551 K HA 0.528 4.847 4.320 -0.000 0.000 0.246 551 K C -2.768 173.837 176.600 0.009 0.000 0.954 551 K CA -2.064 54.229 56.287 0.011 0.000 0.824 551 K CB 2.209 34.718 32.500 0.014 0.000 1.167 551 K HN 0.300 nan 8.250 nan 0.000 0.431 552 P HA -0.069 nan 4.420 nan 0.000 0.264 552 P C -0.815 176.489 177.300 0.007 0.000 1.193 552 P CA -0.006 63.097 63.100 0.006 0.000 0.763 552 P CB 0.297 32.000 31.700 0.005 0.000 0.810 553 N N 2.134 120.838 118.700 0.007 0.000 2.475 553 N HA 0.042 4.782 4.740 -0.000 0.000 0.267 553 N C 0.641 176.154 175.510 0.006 0.000 1.169 553 N CA 0.307 53.360 53.050 0.007 0.000 0.947 553 N CB 0.100 38.590 38.487 0.006 0.000 1.061 553 N HN 0.331 nan 8.380 nan 0.000 0.466 554 T N -0.077 114.481 114.554 0.006 0.000 3.044 554 T HA 0.336 4.686 4.350 -0.000 0.000 0.260 554 T C 0.971 175.674 174.700 0.005 0.000 1.019 554 T CA 0.118 62.221 62.100 0.005 0.000 0.921 554 T CB 0.139 69.010 68.868 0.006 0.000 1.053 554 T HN 0.397 nan 8.240 nan 0.000 0.533 555 A N 0.851 123.674 122.820 0.005 0.000 2.387 555 A HA 0.743 5.063 4.320 -0.000 0.000 0.234 555 A C 1.408 178.995 177.584 0.004 0.000 1.253 555 A CA 0.159 52.198 52.037 0.004 0.000 0.894 555 A CB -0.778 18.225 19.000 0.005 0.000 0.963 555 A HN 1.300 nan 8.150 nan 0.000 0.508 556 G N -1.599 107.203 108.800 0.004 0.000 2.760 556 G HA2 0.437 4.397 3.960 -0.000 0.000 0.246 556 G HA3 0.437 4.397 3.960 -0.000 0.000 0.246 556 G C 0.840 175.742 174.900 0.003 0.000 1.359 556 G CA -0.085 45.017 45.100 0.003 0.000 0.861 556 G HN 2.513 nan 8.290 nan 0.000 0.541 557 G N -1.935 106.866 108.800 0.003 0.000 2.757 557 G HA2 0.265 4.225 3.960 -0.000 0.000 0.638 557 G HA3 0.265 4.225 3.960 -0.000 0.000 0.638 557 G C -0.912 173.990 174.900 0.003 0.000 1.344 557 G CA 0.524 45.626 45.100 0.003 0.000 0.855 557 G HN 1.359 nan 8.290 nan 0.000 0.537 558 P HA 0.094 nan 4.420 nan 0.000 0.225 558 P C 0.925 178.228 177.300 0.003 0.000 1.156 558 P CA 0.427 63.529 63.100 0.003 0.000 0.787 558 P CB 0.150 31.852 31.700 0.003 0.000 0.802 559 R N 0.367 120.869 120.500 0.004 0.000 2.489 559 R HA 0.069 4.409 4.340 -0.000 0.000 0.287 559 R C 1.432 177.735 176.300 0.005 0.000 1.053 559 R CA 0.711 56.814 56.100 0.004 0.000 1.036 559 R CB -0.020 30.283 30.300 0.005 0.000 0.966 559 R HN 0.194 nan 8.270 nan 0.000 0.432 560 T N -2.040 112.517 114.554 0.005 0.000 3.067 560 T HA 0.009 4.359 4.350 -0.000 0.000 0.257 560 T C 0.854 175.558 174.700 0.005 0.000 1.105 560 T CA 0.476 62.578 62.100 0.005 0.000 1.104 560 T CB 0.176 69.047 68.868 0.004 0.000 0.925 560 T HN 0.532 nan 8.240 nan 0.000 0.498 561 S N 0.525 116.229 115.700 0.006 0.000 2.651 561 S HA 0.738 5.208 4.470 -0.000 0.000 0.279 561 S C -0.624 173.981 174.600 0.009 0.000 1.148 561 S CA -0.369 57.835 58.200 0.007 0.000 0.837 561 S CB 1.951 65.155 63.200 0.007 0.000 1.138 561 S HN 0.720 nan 8.310 nan 0.000 0.478 562 T N -1.688 112.872 114.554 0.010 0.000 2.864 562 T HA 0.657 5.007 4.350 -0.000 0.000 0.299 562 T C -0.851 173.858 174.700 0.015 0.000 1.166 562 T CA -0.954 61.154 62.100 0.012 0.000 1.007 562 T CB 1.231 70.106 68.868 0.013 0.000 1.219 562 T HN 0.672 nan 8.240 nan 0.000 0.506 563 M N 2.353 121.963 119.600 0.017 0.000 2.061 563 M HA 0.400 4.880 4.480 -0.000 0.000 0.346 563 M C -0.081 176.235 176.300 0.025 0.000 1.112 563 M CA -0.448 54.864 55.300 0.021 0.000 1.021 563 M CB 1.168 33.781 32.600 0.022 0.000 1.530 563 M HN 0.610 nan 8.290 nan 0.000 0.437 564 Q N 1.498 121.314 119.800 0.027 0.000 2.962 564 Q HA 0.826 5.165 4.340 -0.000 0.000 0.282 564 Q C -1.154 174.868 176.000 0.037 0.000 1.058 564 Q CA -1.166 54.656 55.803 0.032 0.000 0.854 564 Q CB 2.856 31.611 28.738 0.029 0.000 1.441 564 Q HN 0.459 nan 8.270 nan 0.000 0.497 565 V N 0.859 120.797 119.914 0.041 0.000 2.709 565 V HA 0.292 4.412 4.120 -0.000 0.000 0.308 565 V C -1.247 174.878 176.094 0.052 0.000 1.062 565 V CA -0.845 61.480 62.300 0.042 0.000 0.901 565 V CB 1.946 33.794 31.823 0.041 0.000 1.003 565 V HN 0.646 nan 8.190 nan 0.000 0.425 566 N N 3.161 121.902 118.700 0.069 0.000 2.462 566 N HA 0.367 5.107 4.740 -0.000 0.000 0.242 566 N C -0.573 175.014 175.510 0.128 0.000 1.010 566 N CA -0.181 52.949 53.050 0.134 0.000 0.939 566 N CB 0.924 39.526 38.487 0.193 0.000 1.127 566 N HN 0.726 nan 8.380 nan 0.000 0.509 567 Q N 3.181 123.046 119.800 0.108 0.000 2.293 567 Q HA 0.414 4.754 4.340 -0.000 0.000 0.261 567 Q C -1.639 174.433 176.000 0.119 0.000 0.960 567 Q CA -0.817 54.981 55.803 -0.009 0.000 0.882 567 Q CB 0.853 29.581 28.738 -0.016 0.000 1.275 567 Q HN 0.635 nan 8.270 nan 0.000 0.445 568 Y N 0.312 120.606 120.300 -0.010 0.000 2.521 568 Y HA 0.463 5.013 4.550 -0.000 0.000 0.332 568 Y C -1.348 174.550 175.900 -0.003 0.000 1.121 568 Y CA -1.501 56.597 58.100 -0.004 0.000 1.037 568 Y CB 0.520 38.978 38.460 -0.003 0.000 1.330 568 Y HN 0.500 nan 8.280 nan 0.000 0.452 569 N N 2.086 120.858 118.700 0.120 0.000 2.482 569 N HA 0.391 5.131 4.740 -0.000 0.000 0.260 569 N C -0.908 174.687 175.510 0.141 0.000 1.236 569 N CA -0.168 52.922 53.050 0.068 0.000 0.938 569 N CB 0.757 39.281 38.487 0.061 0.000 1.128 569 N HN 0.698 nan 8.380 nan 0.000 0.448 570 I N 0.878 121.501 120.570 0.087 0.000 2.328 570 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 570 I C 1.309 177.476 176.117 0.083 0.000 1.012 570 I CA -0.411 60.956 61.300 0.111 0.000 1.195 570 I CB 1.413 39.467 38.000 0.090 0.000 1.350 570 I HN 0.680 nan 8.210 nan 0.000 0.464 571 G N 5.522 114.371 108.800 0.081 0.000 2.494 571 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.216 571 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.216 571 G C 0.434 175.374 174.900 0.067 0.000 1.140 571 G CA 0.281 45.422 45.100 0.068 0.000 0.801 571 G HN 0.659 nan 8.290 nan 0.000 0.536 572 N N -1.469 117.272 118.700 0.068 0.000 2.761 572 N HA 0.268 5.008 4.740 -0.000 0.000 0.283 572 N C 0.403 175.962 175.510 0.082 0.000 1.377 572 N CA -0.787 52.307 53.050 0.073 0.000 0.791 572 N CB 0.792 39.317 38.487 0.064 0.000 1.540 572 N HN -0.034 nan 8.380 nan 0.000 0.539 573 E N -0.815 119.442 120.200 0.096 0.000 2.152 573 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 573 E C 1.007 177.660 176.600 0.089 0.000 0.983 573 E CA 0.923 57.394 56.400 0.119 0.000 0.818 573 E CB 0.007 29.796 29.700 0.149 0.000 0.758 573 E HN 0.503 nan 8.360 nan 0.000 0.467 574 Q N 0.746 120.584 119.800 0.065 0.000 2.083 574 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 574 Q C 1.528 177.523 176.000 -0.008 0.000 0.969 574 Q CA 1.059 56.880 55.803 0.030 0.000 0.838 574 Q CB -0.108 28.650 28.738 0.034 0.000 0.900 574 Q HN 0.280 nan 8.270 nan 0.000 0.436 575 D N 0.688 121.097 120.400 0.015 0.000 2.224 575 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 575 D C 1.595 177.898 176.300 0.005 0.000 0.965 575 D CA 1.065 55.073 54.000 0.013 0.000 0.852 575 D CB -0.038 40.787 40.800 0.042 0.000 0.947 575 D HN 0.219 nan 8.370 nan 0.000 0.494 576 A N 0.458 123.289 122.820 0.019 0.000 2.119 576 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 576 A C 1.452 179.000 177.584 -0.061 0.000 1.153 576 A CA 0.805 52.858 52.037 0.027 0.000 0.692 576 A CB -0.141 18.913 19.000 0.089 0.000 0.799 576 A HN 0.153 nan 8.150 nan 0.000 0.458 577 A N 1.165 123.871 122.820 -0.189 0.000 2.798 577 A HA 0.512 4.832 4.320 -0.000 0.000 0.316 577 A C 0.176 177.462 177.584 -0.497 0.000 1.506 577 A CA -0.443 51.242 52.037 -0.586 0.000 1.162 577 A CB -0.547 17.945 19.000 -0.846 0.000 1.138 577 A HN 0.652 nan 8.150 nan 0.000 0.532 578 Q N 1.394 120.988 119.800 -0.344 0.000 2.484 578 Q HA 0.547 4.887 4.340 -0.000 0.000 0.285 578 Q C -0.926 175.023 176.000 -0.086 0.000 1.097 578 Q CA -1.260 54.445 55.803 -0.162 0.000 0.802 578 Q CB 1.312 30.022 28.738 -0.046 0.000 1.444 578 Q HN 0.265 nan 8.270 nan 0.000 0.429 579 K N 0.699 121.086 120.400 -0.021 0.000 2.336 579 K HA 0.201 4.521 4.320 -0.000 0.000 0.262 579 K C -0.821 175.864 176.600 0.141 0.000 0.992 579 K CA 0.006 56.324 56.287 0.053 0.000 0.927 579 K CB 0.246 32.764 32.500 0.030 0.000 0.956 579 K HN 0.591 nan 8.250 nan 0.000 0.495 580 F N 1.510 121.478 119.950 0.031 0.000 2.444 580 F HA 0.144 4.671 4.527 -0.000 0.000 0.342 580 F C -0.291 175.544 175.800 0.058 0.000 1.121 580 F CA -1.205 56.827 58.000 0.054 0.000 0.997 580 F CB 1.155 40.212 39.000 0.095 0.000 1.130 580 F HN 0.345 nan 8.300 nan 0.000 0.454 581 D N 8.572 128.575 120.400 -0.661 0.000 2.373 581 D HA 0.332 4.972 4.640 -0.000 0.000 0.227 581 D C -1.905 173.845 176.300 -0.917 0.000 1.091 581 D CA -2.656 51.020 54.000 -0.540 0.000 0.840 581 D CB 1.829 42.456 40.800 -0.289 0.000 1.060 581 D HN 0.245 nan 8.370 nan 0.000 0.502 582 P HA 0.010 nan 4.420 nan 0.000 0.228 582 P C 1.006 178.231 177.300 -0.125 0.000 1.151 582 P CA 0.489 63.460 63.100 -0.214 0.000 0.770 582 P CB 0.261 32.092 31.700 0.217 0.000 0.786 583 G N -0.755 107.945 108.800 -0.165 0.000 3.189 583 G HA2 0.107 4.067 3.960 -0.000 0.000 0.225 583 G HA3 0.107 4.067 3.960 -0.000 0.000 0.225 583 G C 0.400 175.239 174.900 -0.102 0.000 1.159 583 G CA 0.239 45.291 45.100 -0.079 0.000 0.763 583 G HN 0.396 nan 8.290 nan 0.000 0.549 584 T N -1.846 112.588 114.554 -0.200 0.000 2.940 584 T HA 0.743 5.093 4.350 -0.000 0.000 0.288 584 T C -0.566 174.073 174.700 -0.102 0.000 1.045 584 T CA -0.852 61.155 62.100 -0.156 0.000 1.018 584 T CB 2.363 71.118 68.868 -0.187 0.000 1.151 584 T HN -0.077 nan 8.240 nan 0.000 0.529 585 I N 1.200 121.708 120.570 -0.103 0.000 2.433 585 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 585 I C -0.150 175.881 176.117 -0.144 0.000 1.001 585 I CA -1.037 60.181 61.300 -0.137 0.000 1.119 585 I CB 1.733 39.535 38.000 -0.330 0.000 1.289 585 I HN 0.377 nan 8.210 nan 0.000 0.438 586 R N 7.019 127.482 120.500 -0.062 0.000 2.451 586 R HA 0.642 4.982 4.340 -0.000 0.000 0.307 586 R C -1.341 174.898 176.300 -0.102 0.000 0.965 586 R CA -0.713 55.357 56.100 -0.050 0.000 0.865 586 R CB 1.822 32.187 30.300 0.109 0.000 1.174 586 R HN 0.560 nan 8.270 nan 0.000 0.455 587 L N 3.038 124.170 121.223 -0.152 0.000 2.334 587 L HA 0.536 4.876 4.340 -0.000 0.000 0.273 587 L C -0.336 176.519 176.870 -0.024 0.000 1.013 587 L CA -1.322 53.447 54.840 -0.118 0.000 0.816 587 L CB 1.699 43.623 42.059 -0.225 0.000 1.278 587 L HN 0.210 nan 8.230 nan 0.000 0.431 588 L N 2.043 123.292 121.223 0.044 0.000 2.264 588 L HA 0.449 4.789 4.340 -0.000 0.000 0.287 588 L C -0.209 176.718 176.870 0.096 0.000 1.039 588 L CA 0.459 55.342 54.840 0.071 0.000 0.829 588 L CB 0.957 43.071 42.059 0.092 0.000 1.211 588 L HN 0.553 nan 8.230 nan 0.000 0.427 589 S N 3.536 119.276 115.700 0.066 0.000 2.681 589 S HA 0.479 4.949 4.470 -0.000 0.000 0.299 589 S C -0.345 174.298 174.600 0.071 0.000 1.113 589 S CA -0.737 57.509 58.200 0.076 0.000 1.013 589 S CB 1.281 64.505 63.200 0.040 0.000 1.076 589 S HN 0.625 nan 8.310 nan 0.000 0.534 590 N N 1.790 120.530 118.700 0.066 0.000 2.609 590 N HA 0.316 5.056 4.740 -0.000 0.000 0.234 590 N C -2.301 173.217 175.510 0.013 0.000 1.001 590 N CA -2.118 50.953 53.050 0.035 0.000 0.926 590 N CB 1.222 39.723 38.487 0.023 0.000 1.130 590 N HN 0.139 nan 8.380 nan 0.000 0.510 591 P HA -0.033 nan 4.420 nan 0.000 0.223 591 P C 0.439 177.736 177.300 -0.004 0.000 1.144 591 P CA 0.976 64.081 63.100 0.008 0.000 0.783 591 P CB 0.433 32.140 31.700 0.013 0.000 0.771 592 N N -0.915 117.778 118.700 -0.012 0.000 2.392 592 N HA 0.042 4.782 4.740 -0.000 0.000 0.177 592 N C 0.455 175.941 175.510 -0.039 0.000 1.066 592 N CA 0.676 53.712 53.050 -0.023 0.000 0.895 592 N CB 0.376 38.848 38.487 -0.026 0.000 0.988 592 N HN 0.287 nan 8.380 nan 0.000 0.457 593 K N 0.631 121.001 120.400 -0.050 0.000 2.435 593 K HA 0.478 4.798 4.320 -0.000 0.000 0.251 593 K C -0.720 175.832 176.600 -0.081 0.000 0.954 593 K CA -0.533 55.707 56.287 -0.079 0.000 0.820 593 K CB 2.495 34.923 32.500 -0.120 0.000 1.292 593 K HN -0.081 nan 8.250 nan 0.000 0.436 594 E N 1.124 121.268 120.200 -0.094 0.000 2.383 594 E HA 0.140 4.490 4.350 -0.000 0.000 0.275 594 E C -1.005 175.531 176.600 -0.107 0.000 0.918 594 E CA -1.067 55.285 56.400 -0.080 0.000 0.764 594 E CB 1.717 31.389 29.700 -0.048 0.000 1.252 594 E HN 0.625 nan 8.360 nan 0.000 0.449 595 N N 0.838 119.481 118.700 -0.097 0.000 2.364 595 N HA 0.093 4.833 4.740 -0.000 0.000 0.264 595 N C 0.670 176.143 175.510 -0.062 0.000 1.263 595 N CA -0.343 52.649 53.050 -0.096 0.000 0.959 595 N CB 0.625 39.061 38.487 -0.085 0.000 1.204 595 N HN 0.466 nan 8.380 nan 0.000 0.550 596 R N -1.336 119.133 120.500 -0.052 0.000 2.170 596 R HA -0.059 4.281 4.340 -0.000 0.000 0.242 596 R C 0.720 177.000 176.300 -0.033 0.000 1.145 596 R CA 1.584 57.661 56.100 -0.039 0.000 0.984 596 R CB -0.164 30.117 30.300 -0.032 0.000 0.869 596 R HN 0.496 nan 8.270 nan 0.000 0.455 597 M N -1.465 118.115 119.600 -0.033 0.000 2.428 597 M HA 0.234 4.714 4.480 -0.000 0.000 0.239 597 M C 0.743 177.032 176.300 -0.018 0.000 1.121 597 M CA 0.483 55.767 55.300 -0.026 0.000 1.019 597 M CB 1.360 33.943 32.600 -0.029 0.000 1.485 597 M HN 0.284 nan 8.290 nan 0.000 0.484 598 G N 0.522 109.310 108.800 -0.021 0.000 2.132 598 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 598 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 598 G C -0.098 174.800 174.900 -0.002 0.000 0.989 598 G CA -0.318 44.774 45.100 -0.014 0.000 0.676 598 G HN 0.423 nan 8.290 nan 0.000 0.522 599 N N 1.181 119.881 118.700 0.001 0.000 2.438 599 N HA 0.460 5.200 4.740 -0.000 0.000 0.282 599 N C -2.695 172.828 175.510 0.022 0.000 1.037 599 N CA -1.460 51.607 53.050 0.029 0.000 0.942 599 N CB 1.625 40.144 38.487 0.053 0.000 1.136 599 N HN -0.018 nan 8.380 nan 0.000 0.481 600 P HA -0.079 nan 4.420 nan 0.000 0.262 600 P C -0.003 177.324 177.300 0.046 0.000 1.182 600 P CA -0.154 62.962 63.100 0.027 0.000 0.761 600 P CB 0.316 32.040 31.700 0.040 0.000 0.795 601 V N 1.820 121.724 119.914 -0.016 0.000 2.540 601 V HA 0.377 4.497 4.120 -0.000 0.000 0.297 601 V C 0.055 176.247 176.094 0.163 0.000 1.024 601 V CA 0.349 62.635 62.300 -0.023 0.000 1.105 601 V CB -0.101 31.544 31.823 -0.296 0.000 0.938 601 V HN 0.472 nan 8.190 nan 0.000 0.482 602 S N 3.163 119.037 115.700 0.290 0.000 2.607 602 S HA 0.713 5.183 4.470 -0.000 0.000 0.273 602 S C -1.395 173.371 174.600 0.278 0.000 1.148 602 S CA -0.521 57.854 58.200 0.291 0.000 0.833 602 S CB 1.682 65.005 63.200 0.206 0.000 1.130 602 S HN 0.727 nan 8.310 nan 0.000 0.470 603 Y N 1.677 122.061 120.300 0.140 0.000 2.364 603 Y HA 0.421 4.971 4.550 -0.000 0.000 0.340 603 Y C 0.248 176.185 175.900 0.063 0.000 0.975 603 Y CA -0.408 57.741 58.100 0.082 0.000 1.089 603 Y CB 1.572 40.031 38.460 -0.002 0.000 1.192 603 Y HN 0.614 nan 8.280 nan 0.000 0.454 604 Q N 4.311 124.213 119.800 0.169 0.000 2.286 604 Q HA 0.438 4.778 4.340 -0.000 0.000 0.257 604 Q C -1.293 174.766 176.000 0.097 0.000 0.941 604 Q CA -0.250 55.607 55.803 0.090 0.000 0.912 604 Q CB 0.596 29.430 28.738 0.160 0.000 1.192 604 Q HN 0.682 nan 8.270 nan 0.000 0.410 605 I N 5.749 126.343 120.570 0.040 0.000 2.339 605 I HA 0.313 4.483 4.170 -0.000 0.000 0.290 605 I C -0.435 175.615 176.117 -0.113 0.000 0.994 605 I CA -0.449 60.845 61.300 -0.010 0.000 1.191 605 I CB 1.223 39.219 38.000 -0.007 0.000 1.343 605 I HN 0.567 nan 8.210 nan 0.000 0.458 606 I N 8.662 129.135 120.570 -0.162 0.000 2.537 606 I HA 0.255 4.425 4.170 -0.000 0.000 0.276 606 I C -1.774 174.144 176.117 -0.332 0.000 1.063 606 I CA -1.463 59.668 61.300 -0.281 0.000 1.144 606 I CB 1.476 39.447 38.000 -0.049 0.000 1.252 606 I HN 0.360 nan 8.210 nan 0.000 0.480 607 P HA -0.125 nan 4.420 nan 0.000 0.225 607 P C -0.224 177.096 177.300 0.032 0.000 1.156 607 P CA 1.072 64.030 63.100 -0.236 0.000 0.787 607 P CB 0.096 31.637 31.700 -0.265 0.000 0.802 608 Y N 0.154 120.406 120.300 -0.081 0.000 2.426 608 Y HA 0.613 5.163 4.550 -0.000 0.000 0.325 608 Y C 0.103 176.107 175.900 0.174 0.000 0.989 608 Y CA -1.335 56.848 58.100 0.138 0.000 1.284 608 Y CB 0.876 39.486 38.460 0.250 0.000 1.104 608 Y HN -0.148 nan 8.280 nan 0.000 0.481 609 A N 3.844 126.464 122.820 -0.333 0.000 2.535 609 A HA 0.727 5.047 4.320 -0.000 0.000 0.273 609 A C 0.706 178.042 177.584 -0.412 0.000 1.267 609 A CA 0.309 52.172 52.037 -0.290 0.000 0.940 609 A CB -0.600 18.333 19.000 -0.113 0.000 1.101 609 A HN 1.484 nan 8.150 nan 0.000 0.521 610 G N -2.328 105.890 108.800 -0.971 0.000 2.357 610 G HA2 0.531 4.491 3.960 -0.000 0.000 0.643 610 G HA3 0.531 4.491 3.960 -0.000 0.000 0.643 610 G C -0.347 174.526 174.900 -0.045 0.000 1.358 610 G CA -0.159 44.651 45.100 -0.484 0.000 0.986 610 G HN 1.779 nan 8.290 nan 0.000 0.620 611 G N -2.086 106.832 108.800 0.197 0.000 2.579 611 G HA2 0.732 4.692 3.960 -0.000 0.000 0.292 611 G HA3 0.732 4.692 3.960 -0.000 0.000 0.292 611 G C 0.443 175.447 174.900 0.173 0.000 1.484 611 G CA 0.950 46.163 45.100 0.188 0.000 0.813 611 G HN 1.919 nan 8.290 nan 0.000 0.515 612 T N -2.703 111.913 114.554 0.104 0.000 3.022 612 T HA 0.300 4.650 4.350 -0.000 0.000 0.250 612 T C 0.663 175.419 174.700 0.094 0.000 1.060 612 T CA 0.456 62.605 62.100 0.081 0.000 1.013 612 T CB -0.094 68.796 68.868 0.036 0.000 0.982 612 T HN 0.532 nan 8.240 nan 0.000 0.508 613 H N 1.494 120.581 119.070 0.028 0.000 2.544 613 H HA 0.446 5.002 4.556 -0.000 0.000 0.342 613 H C -2.340 173.013 175.328 0.042 0.000 1.185 613 H CA -2.753 53.297 56.048 0.002 0.000 1.264 613 H CB 1.208 30.933 29.762 -0.062 0.000 1.607 613 H HN 0.078 nan 8.280 nan 0.000 0.550 614 P HA -0.086 nan 4.420 nan 0.000 0.269 614 P C -0.990 176.335 177.300 0.042 0.000 1.211 614 P CA 0.130 63.261 63.100 0.051 0.000 0.781 614 P CB 0.560 32.248 31.700 -0.020 0.000 0.877 615 V N 1.485 121.394 119.914 -0.008 0.000 2.483 615 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 615 V C 0.371 176.418 176.094 -0.078 0.000 1.035 615 V CA -0.859 61.398 62.300 -0.073 0.000 0.896 615 V CB 1.325 32.977 31.823 -0.284 0.000 0.986 615 V HN 0.671 nan 8.190 nan 0.000 0.447 616 A N 4.141 126.931 122.820 -0.049 0.000 2.409 616 A HA 0.402 4.722 4.320 -0.000 0.000 0.267 616 A C 0.937 178.499 177.584 -0.036 0.000 1.127 616 A CA -0.304 51.715 52.037 -0.030 0.000 0.795 616 A CB 0.175 19.176 19.000 0.002 0.000 1.061 616 A HN 0.949 nan 8.150 nan 0.000 0.502 617 K N 2.235 122.621 120.400 -0.023 0.000 2.356 617 K HA 0.306 4.626 4.320 -0.000 0.000 0.195 617 K C 0.892 177.513 176.600 0.034 0.000 1.037 617 K CA 0.732 57.015 56.287 -0.007 0.000 1.014 617 K CB 0.357 32.850 32.500 -0.012 0.000 0.815 617 K HN 0.810 nan 8.250 nan 0.000 0.507 618 G N 0.680 109.506 108.800 0.045 0.000 2.494 618 G HA2 0.470 4.430 3.960 -0.000 0.000 0.308 618 G HA3 0.470 4.430 3.960 -0.000 0.000 0.308 618 G C -1.750 173.204 174.900 0.091 0.000 1.263 618 G CA -0.520 44.626 45.100 0.076 0.000 0.840 618 G HN 0.081 nan 8.290 nan 0.000 0.479 619 A N 0.016 122.929 122.820 0.154 0.000 2.362 619 A HA 0.571 4.891 4.320 -0.000 0.000 0.276 619 A C 0.333 178.085 177.584 0.281 0.000 1.153 619 A CA -0.254 51.935 52.037 0.253 0.000 0.813 619 A CB 0.461 19.644 19.000 0.304 0.000 1.081 619 A HN 0.365 nan 8.150 nan 0.000 0.507 620 Q N 2.093 121.983 119.800 0.150 0.000 3.141 620 Q HA 0.229 4.569 4.340 -0.000 0.000 0.304 620 Q C -1.491 174.314 176.000 -0.326 0.000 1.305 620 Q CA 0.705 56.456 55.803 -0.087 0.000 0.929 620 Q CB -0.824 27.793 28.738 -0.202 0.000 1.701 620 Q HN 0.571 nan 8.270 nan 0.000 0.483 621 F N -0.550 119.447 119.950 0.079 0.000 2.591 621 F HA 0.487 5.014 4.527 -0.000 0.000 0.309 621 F C 0.179 175.932 175.800 -0.078 0.000 1.098 621 F CA -1.318 56.720 58.000 0.063 0.000 0.937 621 F CB 1.163 40.268 39.000 0.175 0.000 1.250 621 F HN 0.065 nan 8.300 nan 0.000 0.447 622 A N 3.819 126.669 122.820 0.049 0.000 2.498 622 A HA 0.300 4.620 4.320 -0.000 0.000 0.239 622 A C -1.607 175.767 177.584 -0.349 0.000 1.068 622 A CA -0.937 51.029 52.037 -0.118 0.000 0.766 622 A CB -0.268 18.698 19.000 -0.057 0.000 1.003 622 A HN 0.572 nan 8.150 nan 0.000 0.497 623 P HA -0.128 nan 4.420 nan 0.000 0.231 623 P C 0.135 177.191 177.300 -0.407 0.000 1.158 623 P CA 1.406 63.961 63.100 -0.909 0.000 0.763 623 P CB 0.025 31.425 31.700 -0.500 0.000 0.805 624 D N -2.189 118.064 120.400 -0.246 0.000 2.398 624 D HA 0.015 4.655 4.640 -0.000 0.000 0.210 624 D C 0.379 176.574 176.300 -0.175 0.000 1.094 624 D CA -0.056 53.830 54.000 -0.191 0.000 0.839 624 D CB -0.318 40.394 40.800 -0.147 0.000 0.963 624 D HN 0.029 nan 8.370 nan 0.000 0.506 625 E N -0.061 120.103 120.200 -0.061 0.000 2.383 625 E HA 0.002 4.352 4.350 -0.000 0.000 0.264 625 E C 0.206 176.808 176.600 0.003 0.000 1.050 625 E CA -0.280 56.158 56.400 0.063 0.000 0.896 625 E CB 0.844 30.689 29.700 0.241 0.000 0.982 625 E HN 0.270 nan 8.360 nan 0.000 0.424 626 W N 1.689 122.986 121.300 -0.005 0.000 2.409 626 W HA -0.087 4.573 4.660 -0.000 0.000 0.299 626 W C 2.042 178.520 176.519 -0.068 0.000 1.203 626 W CA -0.026 57.281 57.345 -0.062 0.000 1.298 626 W CB -0.002 29.287 29.460 -0.286 0.000 1.127 626 W HN 0.507 nan 8.180 nan 0.000 0.528 627 I N -0.120 120.471 120.570 0.035 0.000 2.264 627 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 627 I C 2.118 178.142 176.117 -0.154 0.000 1.111 627 I CA 1.770 62.990 61.300 -0.133 0.000 1.382 627 I CB -0.829 36.943 38.000 -0.381 0.000 1.060 627 I HN 0.103 nan 8.210 nan 0.000 0.418 628 Y N 0.700 120.867 120.300 -0.222 0.000 2.220 628 Y HA -0.281 4.269 4.550 -0.000 0.000 0.291 628 Y C 2.813 178.675 175.900 -0.064 0.000 1.129 628 Y CA 2.240 60.246 58.100 -0.156 0.000 1.161 628 Y CB -0.613 37.817 38.460 -0.051 0.000 0.997 628 Y HN 0.322 nan 8.280 nan 0.000 0.522 629 H N -0.112 119.031 119.070 0.122 0.000 2.389 629 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 629 H C 2.147 177.479 175.328 0.006 0.000 1.081 629 H CA 1.930 58.002 56.048 0.040 0.000 1.345 629 H CB 0.062 29.747 29.762 -0.128 0.000 1.393 629 H HN 0.241 nan 8.280 nan 0.000 0.520 630 R N -0.422 120.125 120.500 0.078 0.000 2.100 630 R HA 0.140 4.480 4.340 -0.000 0.000 0.220 630 R C 0.125 176.365 176.300 -0.101 0.000 1.091 630 R CA 0.740 56.852 56.100 0.021 0.000 0.986 630 R CB 0.367 30.735 30.300 0.115 0.000 0.888 630 R HN 0.230 nan 8.270 nan 0.000 0.444 631 L N 1.069 122.201 121.223 -0.152 0.000 2.371 631 L HA 0.268 4.608 4.340 -0.000 0.000 0.262 631 L C 0.563 177.215 176.870 -0.364 0.000 1.054 631 L CA -0.296 54.434 54.840 -0.183 0.000 0.924 631 L CB 1.787 43.723 42.059 -0.206 0.000 1.295 631 L HN 0.050 nan 8.230 nan 0.000 0.441 632 S N 1.547 117.086 115.700 -0.269 0.000 2.383 632 S HA -0.175 4.295 4.470 -0.000 0.000 0.227 632 S C 1.689 176.210 174.600 -0.133 0.000 1.026 632 S CA 1.353 59.412 58.200 -0.236 0.000 0.981 632 S CB -0.159 62.995 63.200 -0.077 0.000 0.818 632 S HN 0.748 nan 8.310 nan 0.000 0.472 633 F N 1.200 120.981 119.950 -0.281 0.000 2.373 633 F HA 0.018 4.545 4.527 -0.000 0.000 0.300 633 F C 1.749 177.585 175.800 0.061 0.000 1.080 633 F CA 0.697 58.545 58.000 -0.253 0.000 1.417 633 F CB -0.878 37.813 39.000 -0.514 0.000 1.070 633 F HN 0.090 nan 8.300 nan 0.000 0.546 634 M N 0.251 119.368 119.600 -0.804 0.000 2.374 634 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 634 M C 0.756 176.969 176.300 -0.145 0.000 1.067 634 M CA 1.572 56.518 55.300 -0.590 0.000 1.103 634 M CB -0.369 31.869 32.600 -0.604 0.000 1.402 634 M HN 0.139 nan 8.290 nan 0.000 0.444 635 D N 0.472 120.839 120.400 -0.056 0.000 2.462 635 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 635 D C -0.493 175.862 176.300 0.091 0.000 1.173 635 D CA 0.211 54.230 54.000 0.030 0.000 0.831 635 D CB 0.572 41.362 40.800 -0.017 0.000 1.001 635 D HN -0.073 nan 8.370 nan 0.000 0.499 636 K N 0.259 120.771 120.400 0.186 0.000 2.525 636 K HA 0.227 4.547 4.320 -0.000 0.000 0.254 636 K C -0.131 176.623 176.600 0.256 0.000 0.934 636 K CA -0.442 55.897 56.287 0.086 0.000 0.802 636 K CB 1.867 34.184 32.500 -0.306 0.000 1.295 636 K HN -0.211 nan 8.250 nan 0.000 0.433 637 Q N 0.375 120.284 119.800 0.182 0.000 2.354 637 Q HA 0.142 4.482 4.340 -0.000 0.000 0.203 637 Q C -0.007 176.154 176.000 0.268 0.000 0.933 637 Q CA 0.389 56.349 55.803 0.261 0.000 0.901 637 Q CB 0.289 29.177 28.738 0.250 0.000 1.007 637 Q HN 0.372 nan 8.270 nan 0.000 0.495 638 L N 0.000 121.314 121.223 0.151 0.000 2.381 638 L HA 0.581 4.921 4.340 -0.000 0.000 0.274 638 L C -1.966 174.920 176.870 0.025 0.000 0.988 638 L CA -0.491 54.450 54.840 0.168 0.000 0.824 638 L CB 1.052 43.185 42.059 0.124 0.000 1.263 638 L HN -0.009 nan 8.230 nan 0.000 0.410 639 W N 4.228 125.665 121.300 0.227 0.000 2.936 639 W HA 0.808 5.468 4.660 -0.000 0.000 0.338 639 W C -1.189 175.524 176.519 0.324 0.000 1.121 639 W CA -0.800 56.677 57.345 0.219 0.000 1.209 639 W CB 2.200 31.737 29.460 0.129 0.000 1.420 639 W HN 0.273 nan 8.180 nan 0.000 0.516 640 V N 2.205 122.407 119.914 0.481 0.000 2.711 640 V HA 0.691 4.810 4.120 -0.000 0.000 0.304 640 V C -0.291 176.014 176.094 0.353 0.000 1.097 640 V CA -0.859 61.685 62.300 0.407 0.000 0.906 640 V CB 1.509 33.479 31.823 0.245 0.000 1.015 640 V HN 0.602 nan 8.190 nan 0.000 0.427 641 T N 1.270 116.055 114.554 0.384 0.000 2.887 641 T HA 0.777 5.127 4.350 -0.000 0.000 0.292 641 T C -0.509 174.293 174.700 0.171 0.000 1.087 641 T CA -0.975 61.295 62.100 0.284 0.000 1.009 641 T CB 2.182 71.251 68.868 0.335 0.000 1.203 641 T HN 0.523 nan 8.240 nan 0.000 0.518 642 R N 0.672 121.206 120.500 0.057 0.000 2.438 642 R HA 0.317 4.657 4.340 -0.000 0.000 0.287 642 R C -0.872 175.245 176.300 -0.305 0.000 1.077 642 R CA -0.795 55.249 56.100 -0.093 0.000 1.034 642 R CB -0.442 29.785 30.300 -0.121 0.000 0.993 642 R HN 0.748 nan 8.270 nan 0.000 0.459 643 Y N 5.377 125.498 120.300 -0.298 0.000 2.729 643 Y HA 0.064 4.614 4.550 -0.000 0.000 0.331 643 Y C -0.843 174.763 175.900 -0.491 0.000 1.208 643 Y CA 0.805 58.744 58.100 -0.268 0.000 1.521 643 Y CB 0.184 38.566 38.460 -0.130 0.000 1.233 643 Y HN 0.568 nan 8.280 nan 0.000 0.539 644 H N 6.971 125.628 119.070 -0.690 0.000 2.865 644 H HA 0.227 4.783 4.556 -0.000 0.000 0.362 644 H C -2.043 172.803 175.328 -0.803 0.000 1.114 644 H CA -2.352 53.270 56.048 -0.710 0.000 1.208 644 H CB 1.802 31.369 29.762 -0.323 0.000 1.727 644 H HN 0.419 nan 8.280 nan 0.000 0.534 645 P HA -0.029 nan 4.420 nan 0.000 0.223 645 P C 1.231 178.420 177.300 -0.186 0.000 1.151 645 P CA 1.073 63.970 63.100 -0.337 0.000 0.787 645 P CB 0.326 31.949 31.700 -0.128 0.000 0.788 646 G N -0.691 108.008 108.800 -0.169 0.000 3.502 646 G HA2 0.043 4.003 3.960 -0.000 0.000 0.267 646 G HA3 0.043 4.003 3.960 -0.000 0.000 0.267 646 G C -0.055 174.746 174.900 -0.166 0.000 1.090 646 G CA -0.151 44.881 45.100 -0.113 0.000 0.795 646 G HN 0.218 nan 8.290 nan 0.000 0.535 647 E N 0.706 120.717 120.200 -0.315 0.000 2.121 647 E HA 0.363 4.713 4.350 -0.000 0.000 0.255 647 E C 0.192 176.569 176.600 -0.372 0.000 0.906 647 E CA -0.406 55.619 56.400 -0.624 0.000 0.745 647 E CB 1.137 30.164 29.700 -1.121 0.000 1.155 647 E HN 0.220 nan 8.360 nan 0.000 0.424 648 R N 1.403 121.689 120.500 -0.357 0.000 2.544 648 R HA 0.203 4.543 4.340 -0.000 0.000 0.303 648 R C -0.424 175.601 176.300 -0.458 0.000 0.939 648 R CA 0.011 55.787 56.100 -0.540 0.000 1.102 648 R CB 0.797 30.428 30.300 -1.115 0.000 1.440 648 R HN 0.218 nan 8.270 nan 0.000 0.532 649 F N 1.930 122.092 119.950 0.354 0.000 2.499 649 F HA 0.369 4.896 4.527 -0.000 0.000 0.333 649 F C -1.680 174.092 175.800 -0.046 0.000 1.138 649 F CA -2.957 55.132 58.000 0.149 0.000 0.945 649 F CB 1.630 40.633 39.000 0.005 0.000 1.181 649 F HN -0.260 nan 8.300 nan 0.000 0.435 650 P HA -0.200 nan 4.420 nan 0.000 0.221 650 P C 0.731 177.651 177.300 -0.633 0.000 1.145 650 P CA 1.617 64.325 63.100 -0.652 0.000 0.795 650 P CB 0.319 31.450 31.700 -0.948 0.000 0.775 651 E N -0.156 119.799 120.200 -0.408 0.000 2.498 651 E HA 0.239 4.589 4.350 -0.000 0.000 0.203 651 E C 0.697 177.214 176.600 -0.137 0.000 1.013 651 E CA 0.312 56.599 56.400 -0.188 0.000 0.927 651 E CB -0.039 29.610 29.700 -0.084 0.000 1.012 651 E HN 0.136 nan 8.360 nan 0.000 0.482 652 G N 1.951 110.686 108.800 -0.109 0.000 2.663 652 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.686 652 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.686 652 G C 0.048 174.906 174.900 -0.069 0.000 1.246 652 G CA -0.097 44.962 45.100 -0.070 0.000 0.795 652 G HN 0.118 nan 8.290 nan 0.000 0.627 653 K N -0.710 119.649 120.400 -0.068 0.000 2.097 653 K HA 0.023 4.343 4.320 -0.000 0.000 0.205 653 K C 0.313 176.476 176.600 -0.728 0.000 1.050 653 K CA 1.399 57.429 56.287 -0.427 0.000 0.938 653 K CB -0.090 32.179 32.500 -0.385 0.000 0.718 653 K HN 0.493 nan 8.250 nan 0.000 0.442 654 Y N 0.346 120.584 120.300 -0.103 0.000 2.658 654 Y HA 0.253 4.803 4.550 -0.000 0.000 0.362 654 Y C -2.027 173.815 175.900 -0.097 0.000 1.017 654 Y CA -2.323 55.717 58.100 -0.100 0.000 1.134 654 Y CB 1.389 39.806 38.460 -0.071 0.000 1.144 654 Y HN 0.140 nan 8.280 nan 0.000 0.655 655 P HA -0.055 nan 4.420 nan 0.000 0.241 655 P C 0.125 177.416 177.300 -0.015 0.000 1.191 655 P CA 0.451 63.532 63.100 -0.033 0.000 0.771 655 P CB 0.462 32.135 31.700 -0.045 0.000 0.929 656 N N 1.998 120.702 118.700 0.006 0.000 2.438 656 N HA -0.017 4.723 4.740 -0.000 0.000 0.267 656 N C 0.247 175.720 175.510 -0.060 0.000 1.222 656 N CA 0.177 53.209 53.050 -0.029 0.000 0.930 656 N CB -0.447 38.023 38.487 -0.028 0.000 1.083 656 N HN -0.101 nan 8.380 nan 0.000 0.476 657 R N 0.607 121.051 120.500 -0.093 0.000 3.502 657 R HA -0.186 4.154 4.340 -0.000 0.000 0.266 657 R C -0.243 176.006 176.300 -0.085 0.000 1.077 657 R CA 0.825 56.870 56.100 -0.091 0.000 0.718 657 R CB -2.514 27.615 30.300 -0.285 0.000 1.120 657 R HN 0.737 nan 8.270 nan 0.000 0.457 658 S N -1.061 114.581 115.700 -0.097 0.000 2.579 658 S HA 0.160 4.630 4.470 -0.000 0.000 0.275 658 S C 1.575 175.951 174.600 -0.374 0.000 1.345 658 S CA 0.027 58.115 58.200 -0.188 0.000 1.031 658 S CB 1.616 64.719 63.200 -0.161 0.000 0.892 658 S HN 0.360 nan 8.310 nan 0.000 0.529 659 T N -2.553 111.729 114.554 -0.453 0.000 3.023 659 T HA 0.156 4.506 4.350 -0.000 0.000 0.249 659 T C 0.682 175.453 174.700 0.119 0.000 1.050 659 T CA 0.364 62.083 62.100 -0.634 0.000 1.088 659 T CB -0.461 68.062 68.868 -0.575 0.000 0.946 659 T HN 0.933 nan 8.240 nan 0.000 0.480 660 H N -0.514 118.565 119.070 0.015 0.000 2.949 660 H HA 0.596 5.152 4.556 -0.000 0.000 0.310 660 H C -1.626 173.695 175.328 -0.012 0.000 1.405 660 H CA -0.957 55.157 56.048 0.110 0.000 1.253 660 H CB 0.695 30.517 29.762 0.100 0.000 1.932 660 H HN 0.020 nan 8.280 nan 0.000 0.602 661 D N 0.797 121.169 120.400 -0.046 0.000 2.295 661 D HA 0.108 4.748 4.640 -0.000 0.000 0.248 661 D C 0.531 176.716 176.300 -0.191 0.000 1.154 661 D CA -0.091 53.805 54.000 -0.173 0.000 0.857 661 D CB 1.040 41.712 40.800 -0.212 0.000 1.117 661 D HN 0.661 nan 8.370 nan 0.000 0.468 662 T N 0.367 114.762 114.554 -0.266 0.000 3.085 662 T HA 0.391 4.741 4.350 -0.000 0.000 0.264 662 T C 0.949 175.391 174.700 -0.431 0.000 1.019 662 T CA -0.180 61.772 62.100 -0.246 0.000 0.910 662 T CB 0.686 69.447 68.868 -0.179 0.000 1.059 662 T HN 0.269 nan 8.240 nan 0.000 0.542 663 G N 1.422 109.872 108.800 -0.584 0.000 3.227 663 G HA2 0.495 4.455 3.960 -0.000 0.000 0.171 663 G HA3 0.495 4.455 3.960 -0.000 0.000 0.171 663 G C 0.779 174.760 174.900 -1.531 0.000 1.463 663 G CA -0.739 43.774 45.100 -0.978 0.000 1.016 663 G HN 0.271 nan 8.290 nan 0.000 0.594 664 L N 1.034 121.558 121.223 -1.165 0.000 2.187 664 L HA -0.028 4.312 4.340 -0.000 0.000 0.213 664 L C 3.018 179.495 176.870 -0.654 0.000 1.100 664 L CA 1.061 55.265 54.840 -1.060 0.000 0.765 664 L CB -0.441 40.677 42.059 -1.569 0.000 0.904 664 L HN 0.576 nan 8.230 nan 0.000 0.437 665 G N -0.887 107.598 108.800 -0.525 0.000 2.421 665 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 665 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 665 G C 1.483 176.289 174.900 -0.158 0.000 1.171 665 G CA 0.725 45.697 45.100 -0.214 0.000 0.775 665 G HN 0.425 nan 8.290 nan 0.000 0.543 666 Q N -0.944 118.689 119.800 -0.279 0.000 2.119 666 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 666 Q C 2.290 178.285 176.000 -0.008 0.000 0.972 666 Q CA 1.080 56.798 55.803 -0.142 0.000 0.847 666 Q CB -0.218 28.420 28.738 -0.167 0.000 0.903 666 Q HN 0.541 nan 8.270 nan 0.000 0.433 667 Y N 0.343 120.602 120.300 -0.068 0.000 2.274 667 Y HA -0.103 4.447 4.550 -0.000 0.000 0.290 667 Y C 2.632 178.555 175.900 0.038 0.000 1.145 667 Y CA 1.224 59.306 58.100 -0.030 0.000 1.203 667 Y CB -0.562 37.820 38.460 -0.130 0.000 0.984 667 Y HN 0.317 nan 8.280 nan 0.000 0.533 668 S N -0.749 115.060 115.700 0.183 0.000 2.502 668 S HA 0.016 4.486 4.470 -0.000 0.000 0.215 668 S C 1.865 176.553 174.600 0.147 0.000 1.009 668 S CA 0.116 58.437 58.200 0.201 0.000 0.908 668 S CB -0.095 63.287 63.200 0.303 0.000 0.801 668 S HN 0.375 nan 8.310 nan 0.000 0.505 669 K N 2.653 123.119 120.400 0.110 0.000 2.107 669 K HA -0.265 4.055 4.320 -0.000 0.000 0.211 669 K C 1.398 178.047 176.600 0.081 0.000 1.049 669 K CA 2.362 58.698 56.287 0.080 0.000 0.927 669 K CB -0.554 31.980 32.500 0.057 0.000 0.714 669 K HN 0.627 nan 8.250 nan 0.000 0.452 670 D N -0.211 120.245 120.400 0.094 0.000 2.363 670 D HA -0.163 4.477 4.640 -0.000 0.000 0.220 670 D C 0.066 176.418 176.300 0.086 0.000 0.994 670 D CA 0.405 54.456 54.000 0.086 0.000 0.890 670 D CB -0.741 40.116 40.800 0.095 0.000 0.906 670 D HN 0.282 nan 8.370 nan 0.000 0.530 671 N N 1.642 120.400 118.700 0.097 0.000 2.688 671 N HA -0.187 4.553 4.740 -0.000 0.000 0.258 671 N C -0.870 174.693 175.510 0.089 0.000 1.016 671 N CA 0.461 53.565 53.050 0.090 0.000 0.747 671 N CB -1.016 37.512 38.487 0.069 0.000 0.895 671 N HN 0.488 nan 8.380 nan 0.000 0.543 672 E N -0.461 119.803 120.200 0.107 0.000 2.391 672 E HA 0.185 4.535 4.350 -0.000 0.000 0.255 672 E C 0.462 177.117 176.600 0.091 0.000 1.187 672 E CA -0.316 56.146 56.400 0.103 0.000 0.941 672 E CB 0.456 30.235 29.700 0.130 0.000 1.010 672 E HN 0.435 nan 8.360 nan 0.000 0.458 673 S N 0.614 116.363 115.700 0.081 0.000 2.580 673 S HA 0.147 4.617 4.470 -0.000 0.000 0.274 673 S C 0.139 174.784 174.600 0.075 0.000 1.329 673 S CA -0.564 57.680 58.200 0.072 0.000 1.036 673 S CB 0.228 63.465 63.200 0.062 0.000 0.919 673 S HN 0.457 nan 8.310 nan 0.000 0.515 674 L N 2.881 124.148 121.223 0.073 0.000 3.154 674 L HA 0.400 4.740 4.340 -0.000 0.000 0.266 674 L C -0.330 176.577 176.870 0.062 0.000 1.300 674 L CA -0.245 54.639 54.840 0.074 0.000 1.028 674 L CB 0.175 42.285 42.059 0.085 0.000 1.412 674 L HN 0.620 nan 8.230 nan 0.000 0.564 675 D N 0.339 120.772 120.400 0.055 0.000 2.280 675 D HA 0.140 4.780 4.640 -0.000 0.000 0.236 675 D C 0.585 176.910 176.300 0.041 0.000 1.082 675 D CA -0.268 53.760 54.000 0.047 0.000 0.834 675 D CB 0.692 41.518 40.800 0.044 0.000 1.100 675 D HN 0.023 nan 8.370 nan 0.000 0.486 676 N N 2.229 120.951 118.700 0.037 0.000 2.699 676 N HA -0.238 4.502 4.740 -0.000 0.000 0.256 676 N C -1.391 174.138 175.510 0.032 0.000 0.993 676 N CA 1.323 54.392 53.050 0.030 0.000 0.759 676 N CB -0.744 37.758 38.487 0.024 0.000 0.906 676 N HN 0.456 nan 8.380 nan 0.000 0.541 677 T N -1.261 113.317 114.554 0.039 0.000 2.778 677 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 677 T C -1.553 173.173 174.700 0.042 0.000 1.144 677 T CA -0.716 61.409 62.100 0.042 0.000 1.010 677 T CB 1.213 70.112 68.868 0.051 0.000 1.325 677 T HN 0.125 nan 8.240 nan 0.000 0.515 678 D N 1.408 121.834 120.400 0.044 0.000 2.344 678 D HA 0.517 5.157 4.640 -0.000 0.000 0.253 678 D C -0.195 176.145 176.300 0.066 0.000 1.255 678 D CA -0.079 53.946 54.000 0.042 0.000 0.894 678 D CB 0.441 41.262 40.800 0.035 0.000 1.067 678 D HN 0.741 nan 8.370 nan 0.000 0.492 679 A N 3.218 126.079 122.820 0.069 0.000 2.306 679 A HA 0.635 4.955 4.320 -0.000 0.000 0.330 679 A C -0.671 176.971 177.584 0.097 0.000 1.146 679 A CA -0.657 51.437 52.037 0.095 0.000 0.827 679 A CB 1.435 20.493 19.000 0.097 0.000 1.178 679 A HN 0.374 nan 8.150 nan 0.000 0.490 680 V N 2.391 122.385 119.914 0.133 0.000 2.444 680 V HA 0.341 4.461 4.120 -0.000 0.000 0.294 680 V C -0.279 175.864 176.094 0.083 0.000 1.022 680 V CA -0.499 61.837 62.300 0.060 0.000 0.850 680 V CB 1.515 33.375 31.823 0.062 0.000 0.992 680 V HN 0.673 nan 8.190 nan 0.000 0.426 681 V N 4.413 124.311 119.914 -0.026 0.000 2.509 681 V HA 0.439 4.559 4.120 -0.000 0.000 0.284 681 V C -0.879 175.189 176.094 -0.043 0.000 1.047 681 V CA -0.390 61.963 62.300 0.088 0.000 0.952 681 V CB 1.494 33.359 31.823 0.069 0.000 0.988 681 V HN 0.900 nan 8.190 nan 0.000 0.469 682 W N 4.652 126.078 121.300 0.211 0.000 2.538 682 W HA 0.697 5.357 4.660 -0.000 0.000 0.322 682 W C -0.277 176.413 176.519 0.284 0.000 1.028 682 W CA -0.638 56.838 57.345 0.219 0.000 1.228 682 W CB 1.177 30.740 29.460 0.171 0.000 1.356 682 W HN 0.270 nan 8.180 nan 0.000 0.452 683 M N 3.196 123.054 119.600 0.429 0.000 2.205 683 M HA 0.413 4.893 4.480 -0.000 0.000 0.344 683 M C -0.245 176.302 176.300 0.411 0.000 1.085 683 M CA -0.251 55.272 55.300 0.370 0.000 1.001 683 M CB 1.603 34.361 32.600 0.263 0.000 1.626 683 M HN 0.234 nan 8.290 nan 0.000 0.442 684 T N 1.777 116.578 114.554 0.411 0.000 2.758 684 T HA 0.464 4.814 4.350 -0.000 0.000 0.285 684 T C -0.326 174.568 174.700 0.324 0.000 0.981 684 T CA -0.366 61.965 62.100 0.385 0.000 0.965 684 T CB 1.275 70.414 68.868 0.451 0.000 0.927 684 T HN 0.704 nan 8.240 nan 0.000 0.448 685 T N 1.970 116.725 114.554 0.334 0.000 2.912 685 T HA 0.777 5.127 4.350 -0.000 0.000 0.299 685 T C -0.509 174.384 174.700 0.323 0.000 1.052 685 T CA -0.404 61.895 62.100 0.332 0.000 0.996 685 T CB 1.290 70.394 68.868 0.393 0.000 1.070 685 T HN 0.795 nan 8.240 nan 0.000 0.465 686 G N 1.760 110.699 108.800 0.233 0.000 2.704 686 G HA2 0.650 4.610 3.960 -0.000 0.000 0.293 686 G HA3 0.650 4.610 3.960 -0.000 0.000 0.293 686 G C -0.589 174.394 174.900 0.139 0.000 1.421 686 G CA -0.434 44.762 45.100 0.161 0.000 0.870 686 G HN 0.977 nan 8.290 nan 0.000 0.492 687 T N -2.089 112.549 114.554 0.140 0.000 2.925 687 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 687 T C -0.341 174.377 174.700 0.029 0.000 1.021 687 T CA -0.615 61.559 62.100 0.123 0.000 1.042 687 T CB 1.982 70.980 68.868 0.217 0.000 1.037 687 T HN 0.366 nan 8.240 nan 0.000 0.481 688 T N 2.006 116.542 114.554 -0.030 0.000 2.788 688 T HA 0.281 4.631 4.350 -0.000 0.000 0.296 688 T C -0.675 173.916 174.700 -0.182 0.000 1.009 688 T CA -0.418 61.613 62.100 -0.116 0.000 0.949 688 T CB -0.150 68.657 68.868 -0.102 0.000 0.946 688 T HN 0.791 nan 8.240 nan 0.000 0.453 689 H N 3.626 122.416 119.070 -0.467 0.000 2.690 689 H HA 0.500 5.056 4.556 -0.000 0.000 0.289 689 H C -0.850 174.192 175.328 -0.476 0.000 1.089 689 H CA -0.734 54.939 56.048 -0.625 0.000 1.299 689 H CB 0.466 29.793 29.762 -0.725 0.000 1.405 689 H HN 0.282 nan 8.280 nan 0.000 0.463 690 V N 5.501 125.310 119.914 -0.175 0.000 2.333 690 V HA 0.298 4.418 4.120 -0.000 0.000 0.274 690 V C 0.629 176.665 176.094 -0.096 0.000 1.028 690 V CA -0.585 61.615 62.300 -0.167 0.000 0.851 690 V CB 0.508 32.263 31.823 -0.113 0.000 1.000 690 V HN 0.912 nan 8.190 nan 0.000 0.456 691 A N 6.738 129.432 122.820 -0.209 0.000 2.429 691 A HA 0.715 5.035 4.320 -0.000 0.000 0.242 691 A C 0.454 178.045 177.584 0.011 0.000 1.088 691 A CA -0.063 51.916 52.037 -0.097 0.000 0.784 691 A CB 0.365 19.269 19.000 -0.160 0.000 1.038 691 A HN 1.009 nan 8.150 nan 0.000 0.501 692 R N -0.814 119.739 120.500 0.088 0.000 2.734 692 R HA 0.644 4.984 4.340 -0.000 0.000 0.271 692 R C 0.437 176.791 176.300 0.089 0.000 1.021 692 R CA -0.188 55.950 56.100 0.063 0.000 0.893 692 R CB 1.028 31.374 30.300 0.078 0.000 1.244 692 R HN 0.757 nan 8.270 nan 0.000 0.464 693 A N 1.091 123.948 122.820 0.061 0.000 1.940 693 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 693 A C 1.442 179.107 177.584 0.135 0.000 1.176 693 A CA 1.923 54.012 52.037 0.088 0.000 0.631 693 A CB -0.675 18.354 19.000 0.047 0.000 0.814 693 A HN 0.837 nan 8.150 nan 0.000 0.446 694 E N 0.209 120.473 120.200 0.106 0.000 2.455 694 E HA -0.130 4.219 4.350 -0.000 0.000 0.202 694 E C 1.086 177.753 176.600 0.113 0.000 1.045 694 E CA 1.192 57.650 56.400 0.096 0.000 0.872 694 E CB -0.138 29.607 29.700 0.075 0.000 0.792 694 E HN 0.806 nan 8.360 nan 0.000 0.542 695 E N -1.012 119.289 120.200 0.169 0.000 2.501 695 E HA 0.067 4.417 4.350 -0.000 0.000 0.200 695 E C -0.456 176.305 176.600 0.268 0.000 1.016 695 E CA -0.292 56.220 56.400 0.188 0.000 0.921 695 E CB 0.500 30.351 29.700 0.253 0.000 1.034 695 E HN 0.180 nan 8.360 nan 0.000 0.468 696 W N 2.125 123.437 121.300 0.020 0.000 2.839 696 W HA 0.278 4.938 4.660 -0.000 0.000 0.334 696 W C -2.480 174.051 176.519 0.020 0.000 1.064 696 W CA -2.091 55.264 57.345 0.016 0.000 1.236 696 W CB 1.873 31.341 29.460 0.012 0.000 1.405 696 W HN -0.120 nan 8.180 nan 0.000 0.478 697 P HA 0.192 nan 4.420 nan 0.000 0.255 697 P C -0.246 176.711 177.300 -0.571 0.000 1.248 697 P CA 0.550 62.942 63.100 -1.181 0.000 0.807 697 P CB 1.264 32.366 31.700 -0.997 0.000 1.150 698 I N -0.395 120.019 120.570 -0.259 0.000 2.607 698 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 698 I C -1.128 174.914 176.117 -0.124 0.000 1.129 698 I CA -1.584 59.575 61.300 -0.236 0.000 1.042 698 I CB 2.703 40.542 38.000 -0.268 0.000 1.242 698 I HN -0.277 nan 8.210 nan 0.000 0.421 699 M N 9.690 129.214 119.600 -0.127 0.000 2.120 699 M HA 0.483 4.963 4.480 -0.000 0.000 0.354 699 M C -2.415 173.808 176.300 -0.129 0.000 1.287 699 M CA -1.444 53.815 55.300 -0.067 0.000 1.103 699 M CB 0.993 33.578 32.600 -0.025 0.000 1.623 699 M HN 0.237 nan 8.290 nan 0.000 0.471 700 P HA 0.015 nan 4.420 nan 0.000 0.265 700 P C -0.854 176.333 177.300 -0.188 0.000 1.193 700 P CA 0.190 63.224 63.100 -0.111 0.000 0.765 700 P CB 0.242 31.905 31.700 -0.061 0.000 0.823 701 T N 4.095 118.524 114.554 -0.209 0.000 2.866 701 T HA 0.037 4.387 4.350 -0.000 0.000 0.293 701 T C 0.284 174.746 174.700 -0.397 0.000 1.005 701 T CA 0.242 62.123 62.100 -0.365 0.000 1.162 701 T CB -0.102 68.557 68.868 -0.349 0.000 0.968 701 T HN 0.337 nan 8.240 nan 0.000 0.530 702 E N 2.211 122.067 120.200 -0.574 0.000 2.183 702 E HA 0.328 4.678 4.350 -0.000 0.000 0.271 702 E C -0.931 175.330 176.600 -0.566 0.000 0.919 702 E CA -0.489 55.599 56.400 -0.520 0.000 0.781 702 E CB 1.762 30.988 29.700 -0.790 0.000 1.140 702 E HN 0.610 nan 8.360 nan 0.000 0.402 703 W N 1.475 122.612 121.300 -0.272 0.000 2.666 703 W HA 0.447 5.107 4.660 0.000 0.000 0.334 703 W C -0.229 176.041 176.519 -0.414 0.000 1.051 703 W CA -0.787 56.356 57.345 -0.337 0.000 1.224 703 W CB 1.631 30.898 29.460 -0.323 0.000 1.405 703 W HN 0.221 nan 8.180 nan 0.000 0.513 704 V N -0.244 119.563 119.914 -0.178 0.000 2.815 704 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 704 V C -0.733 175.143 176.094 -0.363 0.000 1.064 704 V CA -0.881 61.300 62.300 -0.199 0.000 0.952 704 V CB 1.784 33.657 31.823 0.083 0.000 1.020 704 V HN 0.584 nan 8.190 nan 0.000 0.439 705 H N 2.099 121.189 119.070 0.033 0.000 2.572 705 H HA 0.832 5.388 4.556 -0.000 0.000 0.359 705 H C -0.230 175.041 175.328 -0.095 0.000 1.134 705 H CA 0.115 56.121 56.048 -0.069 0.000 1.187 705 H CB 2.271 31.961 29.762 -0.119 0.000 1.597 705 H HN 1.096 nan 8.280 nan 0.000 0.524 706 T N 0.111 114.652 114.554 -0.022 0.000 2.883 706 T HA 0.618 4.968 4.350 -0.000 0.000 0.301 706 T C -1.246 173.364 174.700 -0.149 0.000 1.158 706 T CA -0.809 61.235 62.100 -0.093 0.000 1.007 706 T CB 1.889 70.680 68.868 -0.128 0.000 1.186 706 T HN 0.205 nan 8.240 nan 0.000 0.499 707 L N 1.019 122.161 121.223 -0.136 0.000 2.472 707 L HA 0.698 5.038 4.340 -0.000 0.000 0.260 707 L C -1.549 175.272 176.870 -0.082 0.000 0.963 707 L CA -0.828 53.937 54.840 -0.126 0.000 0.829 707 L CB 2.228 44.229 42.059 -0.097 0.000 1.348 707 L HN 0.821 nan 8.230 nan 0.000 0.408 708 L N 3.676 124.869 121.223 -0.051 0.000 2.415 708 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 708 L C -0.638 176.365 176.870 0.222 0.000 0.984 708 L CA -0.627 54.267 54.840 0.089 0.000 0.853 708 L CB 1.532 43.615 42.059 0.040 0.000 1.215 708 L HN 0.473 nan 8.230 nan 0.000 0.419 709 K N 4.077 124.581 120.400 0.174 0.000 2.164 709 K HA 0.509 4.829 4.320 -0.000 0.000 0.258 709 K C -2.558 173.856 176.600 -0.310 0.000 0.951 709 K CA -1.873 54.425 56.287 0.019 0.000 0.844 709 K CB 1.835 34.358 32.500 0.039 0.000 1.099 709 K HN 0.191 nan 8.250 nan 0.000 0.435 710 P HA -0.084 nan 4.420 nan 0.000 0.267 710 P C -0.995 176.192 177.300 -0.189 0.000 1.205 710 P CA 0.015 62.623 63.100 -0.820 0.000 0.765 710 P CB 0.483 31.959 31.700 -0.373 0.000 0.828 711 W N 5.578 126.721 121.300 -0.262 0.000 2.413 711 W HA 0.152 4.812 4.660 0.000 0.000 0.308 711 W C -0.281 176.219 176.519 -0.032 0.000 0.997 711 W CA -0.317 56.973 57.345 -0.092 0.000 1.447 711 W CB 0.105 29.531 29.460 -0.058 0.000 1.263 711 W HN 0.531 nan 8.180 nan 0.000 0.416 712 N N 3.380 122.010 118.700 -0.116 0.000 2.708 712 N HA -0.328 4.412 4.740 -0.000 0.000 0.251 712 N C 0.428 175.938 175.510 -0.000 0.000 1.123 712 N CA 1.511 54.531 53.050 -0.050 0.000 0.739 712 N CB -1.896 36.594 38.487 0.004 0.000 1.113 712 N HN 0.538 nan 8.380 nan 0.000 0.561 713 F N -0.246 119.587 119.950 -0.195 0.000 2.259 713 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 713 F C 0.834 176.292 175.800 -0.570 0.000 1.088 713 F CA 0.933 58.694 58.000 -0.397 0.000 1.358 713 F CB 0.190 38.831 39.000 -0.600 0.000 1.040 713 F HN -0.009 nan 8.300 nan 0.000 0.505 714 F N -0.208 119.748 119.950 0.009 0.000 2.585 714 F HA 0.281 4.808 4.527 -0.000 0.000 0.350 714 F C 1.122 176.870 175.800 -0.087 0.000 1.074 714 F CA -0.843 57.123 58.000 -0.058 0.000 1.032 714 F CB 0.312 39.282 39.000 -0.051 0.000 1.330 714 F HN -0.347 nan 8.300 nan 0.000 0.495 715 D N -0.704 119.786 120.400 0.150 0.000 2.407 715 D HA 0.108 4.748 4.640 -0.000 0.000 0.208 715 D C -0.150 176.156 176.300 0.011 0.000 1.083 715 D CA 0.446 54.467 54.000 0.036 0.000 0.844 715 D CB 0.461 41.269 40.800 0.014 0.000 0.967 715 D HN 0.711 nan 8.370 nan 0.000 0.506 716 E N -1.630 118.584 120.200 0.024 0.000 2.435 716 E HA 0.207 4.557 4.350 -0.000 0.000 0.277 716 E C -1.190 175.359 176.600 -0.084 0.000 1.106 716 E CA -0.822 55.553 56.400 -0.043 0.000 0.868 716 E CB 0.224 29.894 29.700 -0.049 0.000 1.454 716 E HN -0.299 nan 8.360 nan 0.000 0.452 717 T N 2.838 117.323 114.554 -0.116 0.000 2.704 717 T HA 0.036 4.386 4.350 -0.000 0.000 0.271 717 T C -1.817 172.790 174.700 -0.156 0.000 1.000 717 T CA -0.313 61.706 62.100 -0.134 0.000 1.216 717 T CB 0.029 68.805 68.868 -0.152 0.000 0.961 717 T HN 0.307 nan 8.240 nan 0.000 0.515 718 P HA -0.013 nan 4.420 nan 0.000 0.230 718 P C 1.320 178.521 177.300 -0.166 0.000 1.158 718 P CA 0.658 63.502 63.100 -0.426 0.000 0.769 718 P CB 0.038 31.234 31.700 -0.840 0.000 0.807 719 T N -5.228 109.302 114.554 -0.040 0.000 3.044 719 T HA 0.223 4.573 4.350 -0.000 0.000 0.260 719 T C 1.539 176.301 174.700 0.103 0.000 1.019 719 T CA -0.184 61.944 62.100 0.047 0.000 0.921 719 T CB -0.715 68.218 68.868 0.109 0.000 1.053 719 T HN -0.008 nan 8.240 nan 0.000 0.533 720 L N 1.320 122.590 121.223 0.078 0.000 2.046 720 L HA 0.247 4.587 4.340 -0.000 0.000 0.208 720 L C 1.690 178.583 176.870 0.040 0.000 1.077 720 L CA 1.532 56.417 54.840 0.076 0.000 0.747 720 L CB -0.972 41.088 42.059 0.001 0.000 0.896 720 L HN 0.738 nan 8.230 nan 0.000 0.432 721 G N -1.699 107.105 108.800 0.006 0.000 2.384 721 G HA2 0.102 4.062 3.960 -0.000 0.000 0.668 721 G HA3 0.102 4.062 3.960 -0.000 0.000 0.668 721 G C -0.780 174.115 174.900 -0.008 0.000 1.280 721 G CA -0.561 44.535 45.100 -0.006 0.000 0.992 721 G HN 0.378 nan 8.290 nan 0.000 0.512 722 A N -0.570 122.243 122.820 -0.011 0.000 2.371 722 A HA 0.705 5.025 4.320 -0.000 0.000 0.257 722 A C 0.869 178.449 177.584 -0.006 0.000 1.089 722 A CA -0.040 51.992 52.037 -0.008 0.000 0.794 722 A CB 0.164 19.158 19.000 -0.010 0.000 1.029 722 A HN 1.267 nan 8.150 nan 0.000 0.488 723 L N 1.427 122.646 121.223 -0.006 0.000 2.464 723 L HA 0.153 4.493 4.340 -0.000 0.000 0.264 723 L C 1.532 178.399 176.870 -0.006 0.000 1.199 723 L CA -0.189 54.647 54.840 -0.006 0.000 0.818 723 L CB 0.457 42.512 42.059 -0.007 0.000 1.102 723 L HN 0.852 nan 8.230 nan 0.000 0.473 724 K N 1.257 121.653 120.400 -0.006 0.000 2.228 724 K HA 0.051 4.371 4.320 -0.000 0.000 0.202 724 K C 0.393 176.989 176.600 -0.007 0.000 1.051 724 K CA 0.981 57.264 56.287 -0.006 0.000 0.960 724 K CB 0.130 32.627 32.500 -0.006 0.000 0.743 724 K HN 0.637 nan 8.250 nan 0.000 0.458 725 K N 0.000 120.396 120.400 -0.007 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