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 2wvg_1_A DATA FIRST_RESID 2 DATA SEQUENCE SYTVGTYLAE RLVQIGLKHH FAVAGDYNLV LLDNLLLNKN MEQVYCCNEL DATA SEQUENCE NCGFSAEGYA RAKGAAAAVV TYSVGALSAF DAIGGAYAEN LPVILISGAP DATA SEQUENCE NNNDHAAGHV LHHALGKTDY HYQLEMAKNI TAAAEAIYTP EEAPAKIDHV DATA SEQUENCE IKTALREKKP VYLEIACNIA SMPCAAPGPA SALFNDEASD EASLNAAVEE DATA SEQUENCE TLKFIANRDK VAVLVGSKLR AAGAEEAAVK FADALGGAVA TMAAAKSFFP DATA SEQUENCE EENPHYIGTS WGEVSYPGVE KTMKEADAVI ALAPVFNDYS TTGWTDIPDP DATA SEQUENCE KKLVLAEPRS VVVNGIRFPS VHLKDYLTRL AQKVSKKTGA LDFFKSLNAG DATA SEQUENCE ELKKAAPADP SAPLVNAEIA RQVEALLTPN TTVIAETGDS WFNAQRMKLP DATA SEQUENCE NGARVEYEMQ WGHIGWSVPA AFGYAVGAPE RRNILMVGDG SFQLTAQEVA DATA SEQUENCE QMVRLKLPVI IFLINNYGYT IEVMIHDGPY NNIKNWDYAG LMEVFNGNGG DATA SEQUENCE YDSGAGKGLK AKTGGELAEA IKVALANTDG PTLIECFIGR EDCTEELVKW DATA SEQUENCE GKRVAAANSR KPVNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.498 174.600 -0.171 0.000 1.055 2 S CA 0.000 58.177 58.200 -0.039 0.000 1.107 2 S CB 0.000 63.245 63.200 0.075 0.000 0.593 3 Y N 1.525 121.854 120.300 0.047 0.000 2.487 3 Y HA 0.738 5.304 4.550 0.028 0.000 0.337 3 Y C 0.940 176.879 175.900 0.064 0.000 1.076 3 Y CA 0.244 58.386 58.100 0.069 0.000 1.115 3 Y CB 2.120 40.657 38.460 0.128 0.000 1.235 3 Y HN 0.988 nan 8.280 nan 0.000 0.468 4 T N -2.880 111.803 114.554 0.214 0.000 2.927 4 T HA 0.375 4.741 4.350 0.028 0.000 0.286 4 T C 0.774 175.568 174.700 0.157 0.000 1.040 4 T CA -0.739 61.441 62.100 0.135 0.000 1.010 4 T CB 0.995 69.908 68.868 0.074 0.000 1.177 4 T HN 0.328 nan 8.240 nan 0.000 0.546 5 V N 1.433 121.394 119.914 0.079 0.000 2.282 5 V HA -0.084 4.052 4.120 0.028 0.000 0.249 5 V C 2.888 179.038 176.094 0.092 0.000 1.057 5 V CA 2.659 64.986 62.300 0.046 0.000 1.032 5 V CB -1.512 30.311 31.823 -0.000 0.000 0.645 5 V HN 1.108 nan 8.190 nan 0.000 0.447 6 G N -0.076 108.770 108.800 0.076 0.000 2.418 6 G HA2 -0.270 3.707 3.960 0.028 0.000 0.217 6 G HA3 -0.270 3.707 3.960 0.028 0.000 0.217 6 G C 1.756 176.711 174.900 0.091 0.000 1.158 6 G CA 1.611 46.749 45.100 0.064 0.000 0.771 6 G HN 0.590 nan 8.290 nan 0.000 0.545 7 T N -2.713 111.921 114.554 0.135 0.000 3.023 7 T HA -0.066 4.301 4.350 0.028 0.000 0.266 7 T C 2.072 176.958 174.700 0.310 0.000 1.093 7 T CA 1.075 63.278 62.100 0.170 0.000 1.129 7 T CB -0.352 68.578 68.868 0.102 0.000 0.899 7 T HN 0.267 nan 8.240 nan 0.000 0.491 8 Y N 1.683 122.101 120.300 0.198 0.000 2.114 8 Y HA 0.017 4.584 4.550 0.028 0.000 0.284 8 Y C 2.198 178.090 175.900 -0.013 0.000 1.143 8 Y CA 1.300 59.429 58.100 0.048 0.000 1.135 8 Y CB -0.601 37.848 38.460 -0.019 0.000 0.980 8 Y HN 0.221 nan 8.280 nan 0.000 0.499 9 L N 0.615 121.977 121.223 0.231 0.000 2.042 9 L HA -0.155 4.201 4.340 0.028 0.000 0.210 9 L C 2.408 179.269 176.870 -0.015 0.000 1.076 9 L CA 2.252 57.148 54.840 0.092 0.000 0.749 9 L CB -1.371 40.712 42.059 0.041 0.000 0.893 9 L HN 0.266 nan 8.230 nan 0.000 0.432 10 A N -0.795 122.017 122.820 -0.014 0.000 1.902 10 A HA -0.258 4.079 4.320 0.028 0.000 0.217 10 A C 2.260 179.819 177.584 -0.041 0.000 1.181 10 A CA 1.774 53.779 52.037 -0.054 0.000 0.623 10 A CB -0.777 18.206 19.000 -0.028 0.000 0.818 10 A HN 0.562 nan 8.150 nan 0.000 0.443 11 E N -0.039 120.147 120.200 -0.023 0.000 2.077 11 E HA -0.178 4.189 4.350 0.028 0.000 0.193 11 E C 2.167 178.689 176.600 -0.128 0.000 0.989 11 E CA 1.291 57.657 56.400 -0.057 0.000 0.800 11 E CB -0.184 29.483 29.700 -0.056 0.000 0.746 11 E HN 0.372 nan 8.360 nan 0.000 0.452 12 R N 0.117 120.500 120.500 -0.195 0.000 2.096 12 R HA -0.074 4.283 4.340 0.028 0.000 0.235 12 R C 2.526 178.773 176.300 -0.087 0.000 1.127 12 R CA 1.106 57.107 56.100 -0.165 0.000 0.968 12 R CB -0.974 29.232 30.300 -0.156 0.000 0.861 12 R HN 0.343 nan 8.270 nan 0.000 0.440 13 L N 0.074 121.256 121.223 -0.068 0.000 2.046 13 L HA -0.141 4.216 4.340 0.028 0.000 0.208 13 L C 2.465 179.331 176.870 -0.008 0.000 1.077 13 L CA 0.959 55.775 54.840 -0.039 0.000 0.747 13 L CB -0.584 41.437 42.059 -0.064 0.000 0.896 13 L HN -0.065 nan 8.230 nan 0.000 0.432 14 V N -0.340 119.563 119.914 -0.018 0.000 2.407 14 V HA -0.308 3.829 4.120 0.028 0.000 0.248 14 V C 2.446 178.552 176.094 0.020 0.000 1.055 14 V CA 1.699 64.000 62.300 0.001 0.000 1.049 14 V CB -0.521 31.297 31.823 -0.009 0.000 0.662 14 V HN 0.512 nan 8.190 nan 0.000 0.455 15 Q N -0.239 119.566 119.800 0.007 0.000 2.224 15 Q HA -0.100 4.257 4.340 0.028 0.000 0.203 15 Q C 2.090 178.176 176.000 0.144 0.000 0.970 15 Q CA 1.764 57.594 55.803 0.045 0.000 0.865 15 Q CB -0.211 28.528 28.738 0.001 0.000 0.922 15 Q HN 0.870 nan 8.270 nan 0.000 0.445 16 I N -4.231 116.407 120.570 0.113 0.000 3.684 16 I HA 0.291 4.478 4.170 0.028 0.000 0.304 16 I C 0.941 177.196 176.117 0.231 0.000 1.278 16 I CA 0.775 62.212 61.300 0.227 0.000 1.272 16 I CB 0.063 38.083 38.000 0.032 0.000 1.029 16 I HN 0.181 nan 8.210 nan 0.000 0.458 17 G N 1.373 110.257 108.800 0.140 0.000 2.163 17 G HA2 -0.175 3.802 3.960 0.028 0.000 0.213 17 G HA3 -0.175 3.802 3.960 0.028 0.000 0.213 17 G C -0.203 174.769 174.900 0.121 0.000 0.991 17 G CA -0.334 44.828 45.100 0.105 0.000 0.653 17 G HN 0.232 nan 8.290 nan 0.000 0.518 18 L N 0.670 121.975 121.223 0.137 0.000 2.453 18 L HA 0.438 4.794 4.340 0.028 0.000 0.272 18 L C 1.452 178.390 176.870 0.113 0.000 1.182 18 L CA 0.488 55.443 54.840 0.192 0.000 0.858 18 L CB 0.906 43.041 42.059 0.127 0.000 1.120 18 L HN 0.007 nan 8.230 nan 0.000 0.474 19 K N 1.966 122.467 120.400 0.168 0.000 2.374 19 K HA 0.264 4.601 4.320 0.028 0.000 0.202 19 K C -0.470 175.829 176.600 -0.501 0.000 1.040 19 K CA 0.007 56.234 56.287 -0.099 0.000 1.085 19 K CB 0.400 32.860 32.500 -0.067 0.000 0.873 19 K HN 0.625 nan 8.250 nan 0.000 0.539 20 H N -0.447 118.537 119.070 -0.144 0.000 3.046 20 H HA 0.328 4.901 4.556 0.028 0.000 0.361 20 H C -0.472 174.516 175.328 -0.567 0.000 1.235 20 H CA -0.953 54.808 56.048 -0.478 0.000 1.146 20 H CB 1.296 30.610 29.762 -0.748 0.000 1.859 20 H HN 0.051 nan 8.280 nan 0.000 0.548 21 H N 0.266 119.020 119.070 -0.526 0.000 2.865 21 H HA 0.502 5.074 4.556 0.028 0.000 0.372 21 H C -1.545 173.413 175.328 -0.616 0.000 1.173 21 H CA -0.981 54.783 56.048 -0.472 0.000 1.147 21 H CB 1.244 30.890 29.762 -0.193 0.000 1.805 21 H HN 0.363 nan 8.280 nan 0.000 0.553 22 F N 0.454 120.351 119.950 -0.087 0.000 2.458 22 F HA 0.714 5.257 4.527 0.028 0.000 0.330 22 F C 0.261 176.078 175.800 0.029 0.000 1.082 22 F CA -0.398 57.552 58.000 -0.084 0.000 0.995 22 F CB 2.163 41.143 39.000 -0.034 0.000 1.170 22 F HN 0.879 nan 8.300 nan 0.000 0.478 23 A N 1.322 124.269 122.820 0.211 0.000 2.594 23 A HA 0.824 5.161 4.320 0.028 0.000 0.295 23 A C -1.980 175.769 177.584 0.276 0.000 1.071 23 A CA -0.726 51.456 52.037 0.241 0.000 0.685 23 A CB 1.569 20.728 19.000 0.264 0.000 1.285 23 A HN 0.496 nan 8.150 nan 0.000 0.405 24 V N 1.412 121.448 119.914 0.203 0.000 2.483 24 V HA 0.651 4.788 4.120 0.028 0.000 0.297 24 V C 0.688 176.852 176.094 0.118 0.000 1.027 24 V CA -0.318 62.074 62.300 0.153 0.000 0.855 24 V CB 1.257 33.139 31.823 0.099 0.000 0.995 24 V HN 1.526 nan 8.190 nan 0.000 0.424 25 A N 3.528 126.395 122.820 0.078 0.000 2.483 25 A HA 0.754 5.091 4.320 0.028 0.000 0.238 25 A C 0.635 178.257 177.584 0.064 0.000 1.070 25 A CA 0.706 52.775 52.037 0.054 0.000 0.770 25 A CB 0.311 19.299 19.000 -0.020 0.000 1.008 25 A HN 1.432 nan 8.150 nan 0.000 0.497 26 G N 0.398 109.252 108.800 0.090 0.000 2.698 26 G HA2 0.460 4.437 3.960 0.028 0.000 0.293 26 G HA3 0.460 4.437 3.960 0.028 0.000 0.293 26 G C 0.008 174.977 174.900 0.115 0.000 1.437 26 G CA 0.239 45.413 45.100 0.123 0.000 0.852 26 G HN 0.677 nan 8.290 nan 0.000 0.499 27 D N -0.576 119.872 120.400 0.080 0.000 2.218 27 D HA -0.176 4.481 4.640 0.028 0.000 0.204 27 D C 1.185 177.485 176.300 -0.000 0.000 0.976 27 D CA 1.269 55.259 54.000 -0.016 0.000 0.853 27 D CB -0.174 40.559 40.800 -0.112 0.000 0.939 27 D HN 0.370 nan 8.370 nan 0.000 0.481 28 Y N 0.902 121.295 120.300 0.155 0.000 2.571 28 Y HA 0.018 4.588 4.550 0.033 0.000 0.294 28 Y C 1.470 177.416 175.900 0.078 0.000 1.141 28 Y CA 1.076 59.236 58.100 0.101 0.000 1.308 28 Y CB -0.420 38.107 38.460 0.112 0.000 1.002 28 Y HN 0.229 nan 8.280 nan 0.000 0.551 29 N N -1.398 117.427 118.700 0.208 0.000 2.159 29 N HA 0.034 4.791 4.740 0.028 0.000 0.217 29 N C 0.893 176.466 175.510 0.105 0.000 1.223 29 N CA 0.177 53.314 53.050 0.145 0.000 0.896 29 N CB -0.862 37.710 38.487 0.141 0.000 1.064 29 N HN 0.251 nan 8.380 nan 0.000 0.518 30 L N -0.040 121.234 121.223 0.085 0.000 2.012 30 L HA -0.069 4.288 4.340 0.028 0.000 0.210 30 L C 1.914 178.818 176.870 0.056 0.000 1.073 30 L CA 1.129 56.005 54.840 0.059 0.000 0.748 30 L CB -0.495 41.583 42.059 0.031 0.000 0.891 30 L HN 0.025 nan 8.230 nan 0.000 0.431 31 V N -0.114 119.832 119.914 0.053 0.000 2.427 31 V HA -0.259 3.878 4.120 0.028 0.000 0.248 31 V C 2.397 178.521 176.094 0.050 0.000 1.051 31 V CA 1.409 63.736 62.300 0.045 0.000 1.048 31 V CB -0.380 31.467 31.823 0.040 0.000 0.666 31 V HN 0.307 nan 8.190 nan 0.000 0.456 32 L N -0.092 121.166 121.223 0.058 0.000 2.012 32 L HA -0.169 4.188 4.340 0.028 0.000 0.210 32 L C 2.212 179.119 176.870 0.061 0.000 1.073 32 L CA 1.955 56.826 54.840 0.052 0.000 0.748 32 L CB -0.587 41.503 42.059 0.051 0.000 0.891 32 L HN 0.208 nan 8.230 nan 0.000 0.431 33 L N -0.752 120.523 121.223 0.087 0.000 2.042 33 L HA -0.232 4.125 4.340 0.028 0.000 0.210 33 L C 2.301 179.236 176.870 0.108 0.000 1.076 33 L CA 1.353 56.268 54.840 0.125 0.000 0.749 33 L CB -0.965 41.187 42.059 0.155 0.000 0.893 33 L HN 0.297 nan 8.230 nan 0.000 0.432 34 D N 0.073 120.519 120.400 0.076 0.000 2.104 34 D HA -0.190 4.467 4.640 0.028 0.000 0.194 34 D C 1.990 178.319 176.300 0.049 0.000 0.994 34 D CA 1.153 55.188 54.000 0.057 0.000 0.830 34 D CB -0.305 40.518 40.800 0.039 0.000 0.959 34 D HN 0.341 nan 8.370 nan 0.000 0.452 35 N N 0.255 118.981 118.700 0.043 0.000 2.142 35 N HA -0.063 4.693 4.740 0.028 0.000 0.186 35 N C 2.130 177.658 175.510 0.030 0.000 1.023 35 N CA 0.419 53.488 53.050 0.032 0.000 0.852 35 N CB -0.066 38.441 38.487 0.034 0.000 0.998 35 N HN 0.217 nan 8.380 nan 0.000 0.424 36 L N 1.148 122.389 121.223 0.030 0.000 2.079 36 L HA -0.133 4.224 4.340 0.028 0.000 0.210 36 L C 2.243 179.153 176.870 0.067 0.000 1.081 36 L CA 0.801 55.644 54.840 0.004 0.000 0.752 36 L CB -0.375 41.650 42.059 -0.056 0.000 0.896 36 L HN 0.151 nan 8.230 nan 0.000 0.433 37 L N -0.569 120.707 121.223 0.089 0.000 2.362 37 L HA -0.175 4.181 4.340 0.028 0.000 0.219 37 L C 2.310 179.203 176.870 0.037 0.000 1.134 37 L CA 0.618 55.505 54.840 0.077 0.000 0.807 37 L CB -0.212 41.895 42.059 0.080 0.000 0.927 37 L HN 0.305 nan 8.230 nan 0.000 0.447 38 L N -0.729 120.508 121.223 0.024 0.000 2.275 38 L HA -0.113 4.244 4.340 0.028 0.000 0.215 38 L C 1.127 177.992 176.870 -0.007 0.000 1.119 38 L CA 0.347 55.187 54.840 0.001 0.000 0.790 38 L CB -0.410 41.643 42.059 -0.011 0.000 0.919 38 L HN 0.281 nan 8.230 nan 0.000 0.443 39 N N 1.009 119.710 118.700 0.002 0.000 2.415 39 N HA 0.007 4.763 4.740 0.028 0.000 0.246 39 N C 0.518 176.022 175.510 -0.008 0.000 1.078 39 N CA 0.009 53.056 53.050 -0.004 0.000 0.942 39 N CB 0.949 39.437 38.487 0.002 0.000 1.140 39 N HN -0.039 nan 8.380 nan 0.000 0.501 40 K N 2.068 122.456 120.400 -0.019 0.000 2.525 40 K HA 0.089 4.426 4.320 0.028 0.000 0.192 40 K C 0.462 177.035 176.600 -0.044 0.000 1.029 40 K CA 0.186 56.456 56.287 -0.029 0.000 1.029 40 K CB 0.165 32.649 32.500 -0.026 0.000 0.814 40 K HN 0.517 nan 8.250 nan 0.000 0.503 41 N N 1.065 119.742 118.700 -0.039 0.000 2.461 41 N HA 0.017 4.774 4.740 0.028 0.000 0.188 41 N C 0.698 176.159 175.510 -0.081 0.000 1.134 41 N CA 0.277 53.296 53.050 -0.051 0.000 0.878 41 N CB 0.216 38.684 38.487 -0.032 0.000 0.972 41 N HN 0.382 nan 8.380 nan 0.000 0.456 42 M N -1.403 118.146 119.600 -0.085 0.000 2.575 42 M HA 0.495 4.992 4.480 0.028 0.000 0.284 42 M C -1.519 174.674 176.300 -0.177 0.000 1.253 42 M CA -0.795 54.415 55.300 -0.150 0.000 0.861 42 M CB 2.576 35.136 32.600 -0.067 0.000 1.733 42 M HN -0.297 nan 8.290 nan 0.000 0.462 43 E N 1.150 121.149 120.200 -0.335 0.000 2.214 43 E HA 0.349 4.715 4.350 0.028 0.000 0.274 43 E C -1.427 174.876 176.600 -0.495 0.000 0.977 43 E CA -0.785 55.425 56.400 -0.316 0.000 0.827 43 E CB 2.261 31.797 29.700 -0.272 0.000 1.130 43 E HN 0.618 nan 8.360 nan 0.000 0.394 44 Q N 2.000 121.472 119.800 -0.546 0.000 2.340 44 Q HA 0.327 4.684 4.340 0.028 0.000 0.259 44 Q C -1.460 173.968 176.000 -0.953 0.000 0.964 44 Q CA -0.546 54.711 55.803 -0.910 0.000 0.900 44 Q CB 1.103 29.505 28.738 -0.561 0.000 1.228 44 Q HN 0.274 nan 8.270 nan 0.000 0.449 45 V N 5.254 124.605 119.914 -0.939 0.000 2.398 45 V HA 0.334 4.471 4.120 0.028 0.000 0.286 45 V C -0.928 174.864 176.094 -0.504 0.000 1.026 45 V CA -0.698 61.196 62.300 -0.677 0.000 0.868 45 V CB 0.665 32.147 31.823 -0.569 0.000 0.982 45 V HN 0.660 nan 8.190 nan 0.000 0.443 46 Y N 2.461 122.802 120.300 0.069 0.000 2.352 46 Y HA 0.631 5.198 4.550 0.027 0.000 0.326 46 Y C 0.512 176.486 175.900 0.123 0.000 1.166 46 Y CA -0.782 57.368 58.100 0.083 0.000 1.182 46 Y CB 1.250 39.729 38.460 0.032 0.000 1.216 46 Y HN 0.567 nan 8.280 nan 0.000 0.474 47 C N 0.251 119.708 119.300 0.261 0.000 2.719 47 C HA 0.335 4.812 4.460 0.028 0.000 0.327 47 C C 1.465 176.493 174.990 0.064 0.000 1.238 47 C CA -0.757 58.343 59.018 0.137 0.000 1.727 47 C CB 1.482 29.318 27.740 0.159 0.000 2.256 47 C HN 1.105 nan 8.230 nan 0.000 0.489 48 C N 1.489 120.783 119.300 -0.010 0.000 2.446 48 C HA 0.008 4.484 4.460 0.028 0.000 0.277 48 C C 0.938 175.933 174.990 0.008 0.000 1.275 48 C CA 1.003 60.008 59.018 -0.022 0.000 1.727 48 C CB -1.578 26.122 27.740 -0.067 0.000 2.010 48 C HN 1.002 nan 8.230 nan 0.000 0.486 49 N N -0.967 117.744 118.700 0.018 0.000 2.825 49 N HA 0.233 4.989 4.740 0.028 0.000 0.253 49 N C -0.458 175.068 175.510 0.027 0.000 1.426 49 N CA -0.570 52.495 53.050 0.025 0.000 0.851 49 N CB 0.539 39.042 38.487 0.027 0.000 1.470 49 N HN -0.128 nan 8.380 nan 0.000 0.517 50 E N -0.356 119.852 120.200 0.013 0.000 2.158 50 E HA 0.062 4.428 4.350 0.028 0.000 0.191 50 E C 1.370 177.950 176.600 -0.035 0.000 0.982 50 E CA 0.462 56.861 56.400 -0.002 0.000 0.823 50 E CB -0.133 29.553 29.700 -0.023 0.000 0.766 50 E HN 0.521 nan 8.360 nan 0.000 0.468 51 L N 1.127 122.332 121.223 -0.031 0.000 2.017 51 L HA -0.172 4.185 4.340 0.028 0.000 0.208 51 L C 1.361 178.188 176.870 -0.072 0.000 1.073 51 L CA 1.780 56.568 54.840 -0.086 0.000 0.745 51 L CB -0.481 41.588 42.059 0.017 0.000 0.894 51 L HN 0.037 nan 8.230 nan 0.000 0.432 52 N N -1.034 117.691 118.700 0.042 0.000 2.166 52 N HA -0.213 4.544 4.740 0.028 0.000 0.186 52 N C 2.039 177.577 175.510 0.047 0.000 1.019 52 N CA 1.461 54.565 53.050 0.089 0.000 0.856 52 N CB -1.125 37.392 38.487 0.049 0.000 0.993 52 N HN 0.555 nan 8.380 nan 0.000 0.426 53 C N 0.502 119.816 119.300 0.023 0.000 2.432 53 C HA -0.002 4.475 4.460 0.028 0.000 0.277 53 C C 2.744 177.706 174.990 -0.046 0.000 1.249 53 C CA 1.328 60.364 59.018 0.030 0.000 1.725 53 C CB -1.296 26.491 27.740 0.078 0.000 2.028 53 C HN 0.517 nan 8.230 nan 0.000 0.477 54 G N -0.815 107.934 108.800 -0.085 0.000 2.418 54 G HA2 -0.157 3.820 3.960 0.028 0.000 0.217 54 G HA3 -0.157 3.820 3.960 0.028 0.000 0.217 54 G C 1.327 176.162 174.900 -0.108 0.000 1.158 54 G CA 0.829 45.846 45.100 -0.139 0.000 0.771 54 G HN 0.483 nan 8.290 nan 0.000 0.545 55 F N 1.728 121.671 119.950 -0.011 0.000 2.325 55 F HA 0.059 4.604 4.527 0.030 0.000 0.299 55 F C 2.980 178.715 175.800 -0.110 0.000 1.090 55 F CA 0.797 58.800 58.000 0.006 0.000 1.392 55 F CB -0.428 38.585 39.000 0.022 0.000 1.053 55 F HN 0.081 nan 8.300 nan 0.000 0.521 56 S N 0.026 115.692 115.700 -0.057 0.000 2.368 56 S HA -0.159 4.328 4.470 0.028 0.000 0.225 56 S C 2.425 176.628 174.600 -0.662 0.000 1.030 56 S CA 1.051 59.019 58.200 -0.388 0.000 0.999 56 S CB -0.658 62.204 63.200 -0.563 0.000 0.844 56 S HN 0.349 nan 8.310 nan 0.000 0.459 57 A N 1.519 124.003 122.820 -0.560 0.000 1.933 57 A HA -0.149 4.188 4.320 0.028 0.000 0.218 57 A C 2.097 179.714 177.584 0.054 0.000 1.175 57 A CA 1.451 53.353 52.037 -0.225 0.000 0.628 57 A CB -0.513 18.481 19.000 -0.010 0.000 0.814 57 A HN 0.448 nan 8.150 nan 0.000 0.444 58 E N -0.169 120.095 120.200 0.106 0.000 2.051 58 E HA -0.155 4.212 4.350 0.028 0.000 0.192 58 E C 2.174 178.929 176.600 0.259 0.000 0.991 58 E CA 1.342 57.884 56.400 0.237 0.000 0.799 58 E CB -0.470 29.478 29.700 0.413 0.000 0.748 58 E HN 0.507 nan 8.360 nan 0.000 0.449 59 G N -0.260 108.653 108.800 0.189 0.000 2.422 59 G HA2 -0.296 3.681 3.960 0.028 0.000 0.218 59 G HA3 -0.296 3.681 3.960 0.028 0.000 0.218 59 G C 1.529 176.561 174.900 0.220 0.000 1.146 59 G CA 0.835 46.048 45.100 0.188 0.000 0.769 59 G HN 0.367 nan 8.290 nan 0.000 0.547 60 Y N 1.876 122.187 120.300 0.019 0.000 2.224 60 Y HA -0.008 4.559 4.550 0.028 0.000 0.289 60 Y C 2.919 178.857 175.900 0.062 0.000 1.146 60 Y CA 1.391 59.514 58.100 0.039 0.000 1.182 60 Y CB -0.143 38.424 38.460 0.178 0.000 0.983 60 Y HN 0.249 nan 8.280 nan 0.000 0.524 61 A N 0.346 123.321 122.820 0.258 0.000 1.972 61 A HA -0.183 4.154 4.320 0.028 0.000 0.219 61 A C 2.215 179.860 177.584 0.101 0.000 1.169 61 A CA 1.630 53.770 52.037 0.171 0.000 0.635 61 A CB -0.531 18.575 19.000 0.177 0.000 0.810 61 A HN 0.537 nan 8.150 nan 0.000 0.446 62 R N -0.580 120.017 120.500 0.162 0.000 2.115 62 R HA -0.017 4.340 4.340 0.028 0.000 0.230 62 R C 2.326 178.701 176.300 0.125 0.000 1.111 62 R CA 1.147 57.371 56.100 0.208 0.000 0.976 62 R CB -0.329 30.188 30.300 0.360 0.000 0.870 62 R HN 0.506 nan 8.270 nan 0.000 0.445 63 A N 0.630 123.383 122.820 -0.111 0.000 1.935 63 A HA -0.015 4.321 4.320 0.028 0.000 0.214 63 A C 1.635 179.012 177.584 -0.345 0.000 1.178 63 A CA 0.959 52.713 52.037 -0.473 0.000 0.640 63 A CB 0.252 18.661 19.000 -0.986 0.000 0.825 63 A HN -0.004 nan 8.150 nan 0.000 0.447 64 K N -2.444 117.766 120.400 -0.318 0.000 2.412 64 K HA 0.263 4.600 4.320 0.028 0.000 0.202 64 K C 1.119 177.673 176.600 -0.076 0.000 1.102 64 K CA 0.833 56.971 56.287 -0.248 0.000 1.027 64 K CB 0.993 33.252 32.500 -0.401 0.000 0.931 64 K HN 0.676 nan 8.250 nan 0.000 0.557 65 G N 1.099 109.883 108.800 -0.026 0.000 2.254 65 G HA2 -0.205 3.772 3.960 0.028 0.000 0.225 65 G HA3 -0.205 3.772 3.960 0.028 0.000 0.225 65 G C 0.200 175.143 174.900 0.073 0.000 1.003 65 G CA 0.144 45.259 45.100 0.025 0.000 0.622 65 G HN 0.633 nan 8.290 nan 0.000 0.507 66 A N -1.138 121.753 122.820 0.118 0.000 2.599 66 A HA 1.146 5.483 4.320 0.028 0.000 0.290 66 A C -0.330 177.413 177.584 0.265 0.000 1.101 66 A CA 0.704 52.830 52.037 0.149 0.000 0.674 66 A CB 0.804 19.875 19.000 0.118 0.000 1.277 66 A HN 2.272 nan 8.150 nan 0.000 0.419 67 A N -1.008 121.949 122.820 0.228 0.000 2.586 67 A HA 1.029 5.366 4.320 0.028 0.000 0.290 67 A C -0.735 176.946 177.584 0.161 0.000 1.086 67 A CA 0.042 52.240 52.037 0.269 0.000 0.665 67 A CB 0.626 19.839 19.000 0.354 0.000 1.279 67 A HN 2.677 nan 8.150 nan 0.000 0.423 68 A N -0.560 122.357 122.820 0.161 0.000 2.486 68 A HA 0.971 5.308 4.320 0.028 0.000 0.300 68 A C -0.448 177.259 177.584 0.206 0.000 1.048 68 A CA 0.093 52.209 52.037 0.132 0.000 0.696 68 A CB 1.369 20.407 19.000 0.064 0.000 1.278 68 A HN 2.566 nan 8.150 nan 0.000 0.405 69 A N 0.983 123.899 122.820 0.159 0.000 2.393 69 A HA 0.754 5.090 4.320 0.028 0.000 0.306 69 A C -1.121 176.542 177.584 0.131 0.000 1.050 69 A CA -0.510 51.636 52.037 0.181 0.000 0.724 69 A CB 1.503 20.583 19.000 0.133 0.000 1.248 69 A HN 1.432 nan 8.150 nan 0.000 0.424 70 V N 2.711 122.718 119.914 0.154 0.000 2.487 70 V HA 0.677 4.813 4.120 0.028 0.000 0.298 70 V C 0.045 176.210 176.094 0.117 0.000 1.028 70 V CA -0.395 61.977 62.300 0.119 0.000 0.860 70 V CB 1.086 32.994 31.823 0.141 0.000 0.991 70 V HN 1.246 nan 8.190 nan 0.000 0.427 71 V N 1.381 121.347 119.914 0.087 0.000 3.158 71 V HA 0.791 4.927 4.120 0.028 0.000 0.311 71 V C -0.263 175.885 176.094 0.091 0.000 1.181 71 V CA -0.599 61.746 62.300 0.076 0.000 1.054 71 V CB 2.014 33.857 31.823 0.034 0.000 1.085 71 V HN 0.706 nan 8.190 nan 0.000 0.446 72 T N -0.070 114.540 114.554 0.092 0.000 2.927 72 T HA 0.489 4.856 4.350 0.028 0.000 0.281 72 T C -0.864 173.927 174.700 0.152 0.000 0.998 72 T CA -0.180 62.024 62.100 0.174 0.000 1.019 72 T CB 0.679 69.673 68.868 0.209 0.000 1.061 72 T HN 0.778 nan 8.240 nan 0.000 0.518 73 Y N 2.980 123.345 120.300 0.109 0.000 2.717 73 Y HA 0.248 4.813 4.550 0.025 0.000 0.330 73 Y C 1.606 177.503 175.900 -0.004 0.000 1.217 73 Y CA 1.738 59.818 58.100 -0.033 0.000 1.506 73 Y CB -0.064 38.196 38.460 -0.333 0.000 1.268 73 Y HN 0.971 nan 8.280 nan 0.000 0.561 74 S N 1.835 117.172 115.700 -0.606 0.000 3.686 74 S HA -0.328 4.158 4.470 0.028 0.000 0.247 74 S C 1.450 175.917 174.600 -0.222 0.000 1.674 74 S CA 2.640 60.590 58.200 -0.416 0.000 3.746 74 S CB -1.872 61.219 63.200 -0.182 0.000 0.692 74 S HN 1.347 nan 8.310 nan 0.000 0.466 75 V N 0.908 120.717 119.914 -0.175 0.000 2.490 75 V HA 0.238 4.374 4.120 0.028 0.000 0.250 75 V C 2.390 178.387 176.094 -0.161 0.000 1.061 75 V CA 2.562 64.756 62.300 -0.176 0.000 1.064 75 V CB -1.562 30.094 31.823 -0.279 0.000 0.670 75 V HN 0.860 nan 8.190 nan 0.000 0.461 76 G N -0.303 108.402 108.800 -0.158 0.000 2.408 76 G HA2 0.103 4.080 3.960 0.028 0.000 0.213 76 G HA3 0.103 4.080 3.960 0.028 0.000 0.213 76 G C 1.706 176.501 174.900 -0.175 0.000 1.177 76 G CA 0.832 45.863 45.100 -0.114 0.000 0.802 76 G HN 0.775 nan 8.290 nan 0.000 0.533 77 A N 0.783 123.447 122.820 -0.261 0.000 1.902 77 A HA 0.105 4.442 4.320 0.028 0.000 0.217 77 A C 2.353 179.433 177.584 -0.840 0.000 1.181 77 A CA 1.073 52.837 52.037 -0.455 0.000 0.623 77 A CB -0.406 18.328 19.000 -0.443 0.000 0.818 77 A HN 0.272 nan 8.150 nan 0.000 0.443 78 L N -0.043 120.775 121.223 -0.674 0.000 2.042 78 L HA -0.135 4.222 4.340 0.028 0.000 0.210 78 L C 2.710 179.428 176.870 -0.253 0.000 1.076 78 L CA 2.147 56.648 54.840 -0.565 0.000 0.749 78 L CB -1.491 40.430 42.059 -0.230 0.000 0.893 78 L HN 0.362 nan 8.230 nan 0.000 0.432 79 S N -0.112 115.490 115.700 -0.163 0.000 2.368 79 S HA -0.077 4.410 4.470 0.028 0.000 0.224 79 S C 2.105 176.674 174.600 -0.051 0.000 1.029 79 S CA 1.040 59.210 58.200 -0.050 0.000 0.988 79 S CB -0.119 63.062 63.200 -0.033 0.000 0.838 79 S HN 0.502 nan 8.310 nan 0.000 0.462 80 A N 1.038 123.793 122.820 -0.108 0.000 2.024 80 A HA -0.064 4.273 4.320 0.028 0.000 0.220 80 A C 1.679 179.303 177.584 0.067 0.000 1.164 80 A CA 1.136 53.132 52.037 -0.068 0.000 0.643 80 A CB -0.778 18.194 19.000 -0.047 0.000 0.806 80 A HN 0.440 nan 8.150 nan 0.000 0.451 81 F N 0.453 120.388 119.950 -0.025 0.000 2.202 81 F HA -0.144 4.403 4.527 0.032 0.000 0.301 81 F C 2.147 177.952 175.800 0.008 0.000 1.082 81 F CA 1.007 58.998 58.000 -0.014 0.000 1.313 81 F CB -0.848 38.154 39.000 0.003 0.000 1.024 81 F HN 0.319 nan 8.300 nan 0.000 0.495 82 D N 0.084 120.630 120.400 0.243 0.000 2.097 82 D HA -0.138 4.519 4.640 0.028 0.000 0.195 82 D C 2.285 178.657 176.300 0.120 0.000 0.989 82 D CA 1.397 55.588 54.000 0.318 0.000 0.827 82 D CB -0.142 40.850 40.800 0.321 0.000 0.966 82 D HN 0.177 nan 8.370 nan 0.000 0.456 83 A N 0.644 123.289 122.820 -0.292 0.000 1.930 83 A HA -0.112 4.225 4.320 0.028 0.000 0.217 83 A C 2.278 179.694 177.584 -0.280 0.000 1.175 83 A CA 0.771 52.411 52.037 -0.661 0.000 0.627 83 A CB -0.430 18.000 19.000 -0.950 0.000 0.815 83 A HN 0.257 nan 8.150 nan 0.000 0.443 84 I N 0.021 120.507 120.570 -0.140 0.000 2.252 84 I HA -0.154 4.033 4.170 0.028 0.000 0.245 84 I C 2.700 178.682 176.117 -0.225 0.000 1.102 84 I CA 1.404 62.651 61.300 -0.088 0.000 1.385 84 I CB -1.941 36.084 38.000 0.041 0.000 1.064 84 I HN 0.345 nan 8.210 nan 0.000 0.414 85 G N 0.830 109.426 108.800 -0.339 0.000 2.469 85 G HA2 -0.241 3.736 3.960 0.028 0.000 0.219 85 G HA3 -0.241 3.736 3.960 0.028 0.000 0.219 85 G C 1.745 175.802 174.900 -1.406 0.000 1.150 85 G CA 0.995 45.660 45.100 -0.724 0.000 0.763 85 G HN 0.481 nan 8.290 nan 0.000 0.561 86 G N 0.961 108.832 108.800 -1.549 0.000 2.418 86 G HA2 0.059 4.036 3.960 0.028 0.000 0.217 86 G HA3 0.059 4.036 3.960 0.028 0.000 0.217 86 G C 2.038 176.677 174.900 -0.434 0.000 1.158 86 G CA 1.470 45.743 45.100 -1.377 0.000 0.771 86 G HN 0.669 nan 8.290 nan 0.000 0.545 87 A N -0.274 122.411 122.820 -0.226 0.000 1.930 87 A HA 0.003 4.340 4.320 0.028 0.000 0.217 87 A C 2.183 179.723 177.584 -0.073 0.000 1.175 87 A CA 1.586 53.585 52.037 -0.063 0.000 0.627 87 A CB -0.581 18.415 19.000 -0.005 0.000 0.815 87 A HN 0.437 nan 8.150 nan 0.000 0.443 88 Y N 0.528 120.693 120.300 -0.225 0.000 2.163 88 Y HA -0.072 4.501 4.550 0.039 0.000 0.288 88 Y C 2.684 178.507 175.900 -0.128 0.000 1.136 88 Y CA 1.219 59.220 58.100 -0.164 0.000 1.147 88 Y CB -0.497 37.851 38.460 -0.186 0.000 0.987 88 Y HN 0.303 nan 8.280 nan 0.000 0.509 89 A N -0.140 122.708 122.820 0.046 0.000 1.972 89 A HA -0.143 4.193 4.320 0.028 0.000 0.219 89 A C 1.760 179.364 177.584 0.033 0.000 1.169 89 A CA 1.892 53.990 52.037 0.102 0.000 0.635 89 A CB -0.385 18.742 19.000 0.211 0.000 0.810 89 A HN 0.522 nan 8.150 nan 0.000 0.446 90 E N -0.003 120.186 120.200 -0.018 0.000 2.465 90 E HA 0.052 4.418 4.350 0.028 0.000 0.195 90 E C -0.564 176.026 176.600 -0.017 0.000 1.028 90 E CA -0.228 56.169 56.400 -0.006 0.000 0.899 90 E CB -0.141 29.562 29.700 0.005 0.000 1.032 90 E HN 0.589 nan 8.360 nan 0.000 0.468 91 N N 0.774 119.428 118.700 -0.077 0.000 2.756 91 N HA -0.193 4.564 4.740 0.028 0.000 0.248 91 N C -0.769 174.705 175.510 -0.059 0.000 1.062 91 N CA 0.616 53.602 53.050 -0.107 0.000 0.696 91 N CB -1.547 36.892 38.487 -0.080 0.000 0.946 91 N HN 0.220 nan 8.380 nan 0.000 0.548 92 L N 0.332 121.530 121.223 -0.042 0.000 2.356 92 L HA 0.451 4.808 4.340 0.028 0.000 0.277 92 L C -2.144 174.725 176.870 -0.000 0.000 0.996 92 L CA -1.802 53.043 54.840 0.008 0.000 0.822 92 L CB 2.146 44.245 42.059 0.067 0.000 1.256 92 L HN -0.227 nan 8.230 nan 0.000 0.413 93 P HA 0.118 nan 4.420 nan 0.000 0.260 93 P C -0.689 176.638 177.300 0.044 0.000 1.651 93 P CA -0.065 63.039 63.100 0.007 0.000 1.139 93 P CB 0.363 32.063 31.700 0.001 0.000 1.756 94 V N 5.259 125.202 119.914 0.047 0.000 2.427 94 V HA 0.330 4.467 4.120 0.028 0.000 0.286 94 V C 0.583 176.712 176.094 0.058 0.000 1.034 94 V CA -0.605 61.738 62.300 0.071 0.000 0.893 94 V CB 1.598 33.466 31.823 0.076 0.000 0.982 94 V HN 0.294 nan 8.190 nan 0.000 0.452 95 I N 5.807 126.412 120.570 0.058 0.000 2.297 95 I HA 0.307 4.494 4.170 0.028 0.000 0.291 95 I C -0.411 175.737 176.117 0.052 0.000 1.033 95 I CA -0.398 60.926 61.300 0.040 0.000 1.253 95 I CB 1.287 39.295 38.000 0.013 0.000 1.396 95 I HN 0.404 nan 8.210 nan 0.000 0.476 96 L N 8.960 130.224 121.223 0.068 0.000 2.265 96 L HA 0.532 4.889 4.340 0.028 0.000 0.288 96 L C -0.679 176.182 176.870 -0.015 0.000 1.058 96 L CA 0.108 54.997 54.840 0.081 0.000 0.809 96 L CB 0.612 42.786 42.059 0.192 0.000 1.179 96 L HN 0.392 nan 8.230 nan 0.000 0.429 97 I N 4.300 124.853 120.570 -0.028 0.000 2.362 97 I HA 0.402 4.589 4.170 0.028 0.000 0.289 97 I C 0.035 176.114 176.117 -0.064 0.000 0.994 97 I CA 0.002 61.241 61.300 -0.101 0.000 1.158 97 I CB 1.782 39.744 38.000 -0.063 0.000 1.315 97 I HN 0.601 nan 8.210 nan 0.000 0.451 98 S N 4.021 119.644 115.700 -0.128 0.000 2.472 98 S HA 0.755 5.242 4.470 0.028 0.000 0.303 98 S C 0.225 174.839 174.600 0.023 0.000 1.099 98 S CA -0.624 57.572 58.200 -0.008 0.000 1.077 98 S CB 1.054 64.288 63.200 0.058 0.000 1.031 98 S HN 0.784 nan 8.310 nan 0.000 0.487 99 G N 2.161 111.017 108.800 0.094 0.000 2.636 99 G HA2 0.577 4.554 3.960 0.028 0.000 0.246 99 G HA3 0.577 4.554 3.960 0.028 0.000 0.246 99 G C -0.174 174.774 174.900 0.081 0.000 1.216 99 G CA 0.134 45.303 45.100 0.115 0.000 0.854 99 G HN 1.160 nan 8.290 nan 0.000 0.572 100 A N 1.299 124.079 122.820 -0.067 0.000 2.602 100 A HA 0.872 5.208 4.320 0.028 0.000 0.290 100 A C -2.942 174.308 177.584 -0.557 0.000 1.114 100 A CA -1.299 50.490 52.037 -0.414 0.000 0.683 100 A CB 1.145 20.037 19.000 -0.180 0.000 1.281 100 A HN 0.511 nan 8.150 nan 0.000 0.416 101 P HA 0.011 nan 4.420 nan 0.000 0.268 101 P C -0.326 176.859 177.300 -0.191 0.000 1.208 101 P CA -0.255 62.478 63.100 -0.610 0.000 0.777 101 P CB 0.333 31.480 31.700 -0.922 0.000 0.875 102 N N 2.865 121.529 118.700 -0.061 0.000 2.292 102 N HA -0.117 4.640 4.740 0.028 0.000 0.258 102 N C 1.024 176.529 175.510 -0.007 0.000 1.261 102 N CA 0.225 53.276 53.050 0.003 0.000 0.845 102 N CB 0.252 38.752 38.487 0.022 0.000 1.064 102 N HN 0.361 nan 8.380 nan 0.000 0.471 103 N N 3.593 122.344 118.700 0.085 0.000 2.520 103 N HA -0.130 4.627 4.740 0.028 0.000 0.185 103 N C 0.370 175.951 175.510 0.118 0.000 1.068 103 N CA 0.895 54.049 53.050 0.174 0.000 0.911 103 N CB -0.262 38.326 38.487 0.168 0.000 0.961 103 N HN 0.468 nan 8.380 nan 0.000 0.446 104 N N 0.524 119.253 118.700 0.048 0.000 2.494 104 N HA -0.053 4.703 4.740 0.028 0.000 0.182 104 N C 0.004 175.507 175.510 -0.011 0.000 1.076 104 N CA 0.564 53.633 53.050 0.031 0.000 0.908 104 N CB 0.052 38.569 38.487 0.050 0.000 0.967 104 N HN 0.349 nan 8.380 nan 0.000 0.449 105 D N -0.172 120.177 120.400 -0.084 0.000 2.340 105 D HA 0.001 4.658 4.640 0.028 0.000 0.220 105 D C 0.228 176.382 176.300 -0.243 0.000 1.039 105 D CA 0.324 54.244 54.000 -0.133 0.000 0.866 105 D CB 0.180 40.873 40.800 -0.178 0.000 0.913 105 D HN 0.299 nan 8.370 nan 0.000 0.523 106 H N 0.484 119.511 119.070 -0.072 0.000 2.582 106 H HA 0.328 4.899 4.556 0.026 0.000 0.345 106 H C 1.052 176.332 175.328 -0.079 0.000 1.104 106 H CA -0.007 56.010 56.048 -0.052 0.000 1.390 106 H CB 1.337 30.991 29.762 -0.180 0.000 1.461 106 H HN -0.046 nan 8.280 nan 0.000 0.551 107 A N 2.030 124.890 122.820 0.067 0.000 2.745 107 A HA -0.204 4.133 4.320 0.028 0.000 0.296 107 A C 1.240 178.780 177.584 -0.072 0.000 1.500 107 A CA 1.126 53.163 52.037 0.001 0.000 0.766 107 A CB -1.876 17.123 19.000 -0.002 0.000 1.030 107 A HN 0.868 nan 8.150 nan 0.000 0.489 108 A N -1.264 121.463 122.820 -0.155 0.000 2.508 108 A HA 0.594 4.931 4.320 0.028 0.000 0.250 108 A C 2.125 179.523 177.584 -0.310 0.000 1.208 108 A CA 1.284 53.108 52.037 -0.355 0.000 0.960 108 A CB -0.306 18.235 19.000 -0.765 0.000 1.099 108 A HN 2.609 nan 8.150 nan 0.000 0.542 109 G N 0.171 108.906 108.800 -0.107 0.000 2.221 109 G HA2 -0.268 3.708 3.960 0.028 0.000 0.265 109 G HA3 -0.268 3.708 3.960 0.028 0.000 0.265 109 G C -0.150 174.847 174.900 0.163 0.000 1.041 109 G CA 0.625 45.739 45.100 0.022 0.000 0.807 109 G HN 0.826 nan 8.290 nan 0.000 0.502 110 H N -1.127 117.998 119.070 0.092 0.000 2.467 110 H HA 0.473 5.045 4.556 0.028 0.000 0.326 110 H C -0.024 175.414 175.328 0.183 0.000 1.094 110 H CA -1.155 54.954 56.048 0.103 0.000 1.253 110 H CB 1.921 31.722 29.762 0.065 0.000 1.439 110 H HN 0.098 nan 8.280 nan 0.000 0.479 111 V N 5.997 126.071 119.914 0.267 0.000 2.432 111 V HA 0.189 4.326 4.120 0.028 0.000 0.275 111 V C 0.097 176.328 176.094 0.230 0.000 1.043 111 V CA -0.392 62.059 62.300 0.252 0.000 0.925 111 V CB 0.853 32.768 31.823 0.154 0.000 0.985 111 V HN 0.517 nan 8.190 nan 0.000 0.466 112 L N 4.509 125.908 121.223 0.293 0.000 2.333 112 L HA 0.596 4.953 4.340 0.028 0.000 0.269 112 L C 0.293 177.292 176.870 0.215 0.000 1.010 112 L CA -1.009 53.942 54.840 0.185 0.000 0.818 112 L CB 1.746 43.797 42.059 -0.013 0.000 1.306 112 L HN 0.763 nan 8.230 nan 0.000 0.430 113 H N 0.698 119.833 119.070 0.108 0.000 2.852 113 H HA 0.030 4.604 4.556 0.031 0.000 0.362 113 H C -0.076 175.389 175.328 0.228 0.000 1.122 113 H CA 0.205 56.285 56.048 0.055 0.000 1.419 113 H CB 0.494 30.148 29.762 -0.178 0.000 1.401 113 H HN 0.736 nan 8.280 nan 0.000 0.609 114 H N -1.604 117.609 119.070 0.237 0.000 3.641 114 H HA -0.173 4.399 4.556 0.027 0.000 0.193 114 H C 0.321 175.808 175.328 0.265 0.000 1.013 114 H CA 0.910 57.097 56.048 0.232 0.000 1.212 114 H CB -1.721 28.211 29.762 0.285 0.000 1.089 114 H HN 0.925 nan 8.280 nan 0.000 0.339 115 A N 0.006 123.070 122.820 0.408 0.000 2.468 115 A HA 0.699 5.036 4.320 0.028 0.000 0.277 115 A C 1.467 179.199 177.584 0.247 0.000 1.203 115 A CA -0.147 52.163 52.037 0.455 0.000 0.932 115 A CB 0.475 19.886 19.000 0.686 0.000 1.438 115 A HN 0.095 nan 8.150 nan 0.000 0.468 116 L N -0.197 121.100 121.223 0.124 0.000 2.478 116 L HA 0.215 4.571 4.340 0.028 0.000 0.223 116 L C 1.647 178.520 176.870 0.006 0.000 1.140 116 L CA 1.105 55.920 54.840 -0.041 0.000 0.842 116 L CB -0.216 41.684 42.059 -0.265 0.000 0.953 116 L HN 1.188 nan 8.230 nan 0.000 0.452 117 G N -0.342 108.500 108.800 0.069 0.000 2.179 117 G HA2 -0.209 3.768 3.960 0.028 0.000 0.220 117 G HA3 -0.209 3.768 3.960 0.028 0.000 0.220 117 G C 0.319 175.238 174.900 0.032 0.000 0.990 117 G CA -0.251 44.888 45.100 0.065 0.000 0.646 117 G HN 0.289 nan 8.290 nan 0.000 0.517 118 K N -0.460 119.929 120.400 -0.019 0.000 2.419 118 K HA 0.656 4.992 4.320 0.028 0.000 0.246 118 K C 1.454 177.983 176.600 -0.118 0.000 1.037 118 K CA 0.055 56.300 56.287 -0.070 0.000 0.982 118 K CB 0.687 33.112 32.500 -0.123 0.000 1.283 118 K HN 0.202 nan 8.250 nan 0.000 0.500 119 T N -2.330 112.134 114.554 -0.151 0.000 3.129 119 T HA 0.090 4.457 4.350 0.028 0.000 0.267 119 T C -0.370 174.137 174.700 -0.321 0.000 1.018 119 T CA -0.468 61.555 62.100 -0.128 0.000 0.903 119 T CB -0.374 68.503 68.868 0.015 0.000 1.067 119 T HN 0.553 nan 8.240 nan 0.000 0.549 120 D N 0.275 120.358 120.400 -0.528 0.000 2.340 120 D HA 0.344 5.001 4.640 0.028 0.000 0.240 120 D C -0.985 174.860 176.300 -0.757 0.000 1.001 120 D CA -1.325 52.420 54.000 -0.424 0.000 0.888 120 D CB 0.845 41.594 40.800 -0.085 0.000 1.310 120 D HN 0.191 nan 8.370 nan 0.000 0.474 121 Y N -0.551 119.847 120.300 0.163 0.000 2.685 121 Y HA 0.151 4.720 4.550 0.030 0.000 0.257 121 Y C 0.771 176.783 175.900 0.185 0.000 1.053 121 Y CA -0.613 57.584 58.100 0.162 0.000 1.106 121 Y CB 0.199 38.686 38.460 0.045 0.000 1.193 121 Y HN 0.613 nan 8.280 nan 0.000 0.602 122 H N -2.270 116.949 119.070 0.248 0.000 2.652 122 H HA 0.029 4.584 4.556 -0.001 0.000 0.274 122 H C 1.338 176.747 175.328 0.134 0.000 1.021 122 H CA 0.149 56.316 56.048 0.198 0.000 1.187 122 H CB -0.437 29.428 29.762 0.170 0.000 1.505 122 H HN 0.564 nan 8.280 nan 0.000 0.530 123 Y N 1.532 121.787 120.300 -0.074 0.000 2.224 123 Y HA -0.172 4.383 4.550 0.009 0.000 0.289 123 Y C 2.523 178.467 175.900 0.074 0.000 1.146 123 Y CA 1.449 59.537 58.100 -0.021 0.000 1.182 123 Y CB -0.534 37.879 38.460 -0.077 0.000 0.983 123 Y HN 0.202 nan 8.280 nan 0.000 0.524 124 Q N 0.473 120.038 119.800 -0.391 0.000 2.079 124 Q HA -0.152 4.204 4.340 0.028 0.000 0.200 124 Q C 2.217 178.185 176.000 -0.053 0.000 0.974 124 Q CA 1.540 57.240 55.803 -0.173 0.000 0.840 124 Q CB -0.184 28.318 28.738 -0.392 0.000 0.898 124 Q HN 0.598 nan 8.270 nan 0.000 0.430 125 L N 1.078 122.296 121.223 -0.008 0.000 2.046 125 L HA -0.164 4.193 4.340 0.028 0.000 0.208 125 L C 1.979 178.789 176.870 -0.100 0.000 1.077 125 L CA 1.831 56.629 54.840 -0.070 0.000 0.747 125 L CB -0.371 41.780 42.059 0.153 0.000 0.896 125 L HN 0.165 nan 8.230 nan 0.000 0.432 126 E N -0.444 119.773 120.200 0.029 0.000 2.106 126 E HA -0.217 4.150 4.350 0.028 0.000 0.192 126 E C 2.207 178.780 176.600 -0.044 0.000 0.984 126 E CA 1.730 58.150 56.400 0.033 0.000 0.806 126 E CB -0.378 29.407 29.700 0.142 0.000 0.750 126 E HN 0.594 nan 8.360 nan 0.000 0.458 127 M N 0.316 119.896 119.600 -0.033 0.000 2.086 127 M HA -0.134 4.363 4.480 0.028 0.000 0.261 127 M C 2.387 178.454 176.300 -0.390 0.000 1.067 127 M CA 1.697 56.938 55.300 -0.098 0.000 1.116 127 M CB -0.341 32.322 32.600 0.105 0.000 1.348 127 M HN 0.055 nan 8.290 nan 0.000 0.407 128 A N 0.370 122.835 122.820 -0.591 0.000 1.972 128 A HA -0.173 4.164 4.320 0.028 0.000 0.219 128 A C 2.034 179.319 177.584 -0.499 0.000 1.169 128 A CA 1.613 53.115 52.037 -0.891 0.000 0.635 128 A CB -0.581 17.694 19.000 -1.208 0.000 0.810 128 A HN 0.449 nan 8.150 nan 0.000 0.446 129 K N 0.067 120.279 120.400 -0.313 0.000 2.281 129 K HA -0.097 4.239 4.320 0.028 0.000 0.203 129 K C 1.207 177.694 176.600 -0.188 0.000 1.046 129 K CA 1.141 57.320 56.287 -0.180 0.000 0.938 129 K CB -0.180 32.260 32.500 -0.099 0.000 0.737 129 K HN 0.487 nan 8.250 nan 0.000 0.458 130 N N 1.072 119.632 118.700 -0.233 0.000 2.457 130 N HA -0.057 4.700 4.740 0.028 0.000 0.180 130 N C 1.350 176.672 175.510 -0.313 0.000 1.050 130 N CA 1.014 53.931 53.050 -0.221 0.000 0.906 130 N CB 0.305 38.688 38.487 -0.173 0.000 0.968 130 N HN 0.391 nan 8.380 nan 0.000 0.445 131 I N -2.627 117.722 120.570 -0.368 0.000 3.994 131 I HA 0.257 4.444 4.170 0.028 0.000 0.323 131 I C -0.333 175.596 176.117 -0.314 0.000 1.501 131 I CA -0.475 60.560 61.300 -0.441 0.000 1.112 131 I CB 0.581 38.364 38.000 -0.362 0.000 1.254 131 I HN -0.241 nan 8.210 nan 0.000 0.495 132 T N -2.797 111.648 114.554 -0.181 0.000 2.901 132 T HA 0.751 5.118 4.350 0.028 0.000 0.293 132 T C 0.621 175.426 174.700 0.175 0.000 1.084 132 T CA -0.094 62.049 62.100 0.071 0.000 1.008 132 T CB 2.427 71.309 68.868 0.023 0.000 1.170 132 T HN 0.020 nan 8.240 nan 0.000 0.509 133 A N 0.266 123.208 122.820 0.203 0.000 2.132 133 A HA 0.751 5.088 4.320 0.028 0.000 0.213 133 A C 1.078 178.701 177.584 0.066 0.000 1.154 133 A CA 0.564 52.685 52.037 0.139 0.000 0.753 133 A CB -0.563 18.468 19.000 0.051 0.000 0.826 133 A HN 1.616 nan 8.150 nan 0.000 0.469 134 A N -1.544 121.311 122.820 0.059 0.000 2.594 134 A HA 0.722 5.058 4.320 0.028 0.000 0.296 134 A C -0.844 176.806 177.584 0.111 0.000 1.061 134 A CA 0.150 52.231 52.037 0.073 0.000 0.689 134 A CB 0.644 19.630 19.000 -0.024 0.000 1.280 134 A HN 1.626 nan 8.150 nan 0.000 0.406 135 A N 1.694 124.602 122.820 0.147 0.000 2.456 135 A HA 0.741 5.077 4.320 0.028 0.000 0.288 135 A C -1.285 176.421 177.584 0.205 0.000 1.042 135 A CA -0.370 51.803 52.037 0.225 0.000 0.738 135 A CB 1.189 20.267 19.000 0.130 0.000 1.266 135 A HN 0.640 nan 8.150 nan 0.000 0.407 136 E N 0.776 121.098 120.200 0.202 0.000 2.293 136 E HA 0.664 5.030 4.350 0.028 0.000 0.270 136 E C -0.702 175.902 176.600 0.006 0.000 0.879 136 E CA -0.601 55.846 56.400 0.078 0.000 0.756 136 E CB 2.461 32.184 29.700 0.038 0.000 1.208 136 E HN 0.903 nan 8.360 nan 0.000 0.428 137 A N 3.277 126.038 122.820 -0.098 0.000 2.304 137 A HA 0.683 5.020 4.320 0.028 0.000 0.323 137 A C -0.274 176.998 177.584 -0.519 0.000 1.195 137 A CA -0.614 51.227 52.037 -0.327 0.000 0.826 137 A CB 0.330 19.062 19.000 -0.447 0.000 1.184 137 A HN 0.550 nan 8.150 nan 0.000 0.496 138 I N 2.692 122.972 120.570 -0.484 0.000 2.328 138 I HA 0.260 4.447 4.170 0.028 0.000 0.287 138 I C -0.482 175.422 176.117 -0.356 0.000 1.012 138 I CA -0.115 60.972 61.300 -0.354 0.000 1.195 138 I CB 1.018 38.904 38.000 -0.191 0.000 1.350 138 I HN 0.801 nan 8.210 nan 0.000 0.464 139 Y N 3.049 123.316 120.300 -0.055 0.000 2.498 139 Y HA 0.114 4.677 4.550 0.021 0.000 0.259 139 Y C 1.349 177.228 175.900 -0.036 0.000 1.086 139 Y CA -0.279 57.787 58.100 -0.057 0.000 1.287 139 Y CB 0.433 38.823 38.460 -0.116 0.000 1.146 139 Y HN 0.518 nan 8.280 nan 0.000 0.523 140 T N -3.728 110.876 114.554 0.083 0.000 2.900 140 T HA 0.360 4.727 4.350 0.028 0.000 0.295 140 T C -2.445 172.251 174.700 -0.007 0.000 1.044 140 T CA -2.397 59.727 62.100 0.040 0.000 0.995 140 T CB 2.693 71.581 68.868 0.034 0.000 1.072 140 T HN -0.351 nan 8.240 nan 0.000 0.473 141 P HA -0.014 nan 4.420 nan 0.000 0.217 141 P C 1.070 178.333 177.300 -0.062 0.000 1.150 141 P CA 0.997 64.076 63.100 -0.035 0.000 0.832 141 P CB 0.106 31.797 31.700 -0.014 0.000 0.787 142 E N -0.067 120.106 120.200 -0.046 0.000 2.204 142 E HA -0.168 4.199 4.350 0.028 0.000 0.195 142 E C 1.701 178.253 176.600 -0.081 0.000 0.990 142 E CA 1.020 57.386 56.400 -0.057 0.000 0.821 142 E CB -0.667 29.013 29.700 -0.034 0.000 0.750 142 E HN 0.459 nan 8.360 nan 0.000 0.477 143 E N -0.182 119.972 120.200 -0.076 0.000 2.435 143 E HA 0.063 4.430 4.350 0.028 0.000 0.195 143 E C 1.778 178.301 176.600 -0.129 0.000 1.029 143 E CA 0.398 56.746 56.400 -0.087 0.000 0.865 143 E CB 0.140 29.802 29.700 -0.064 0.000 0.833 143 E HN 0.258 nan 8.360 nan 0.000 0.510 144 A N 2.242 124.965 122.820 -0.162 0.000 1.855 144 A HA -0.078 4.259 4.320 0.028 0.000 0.215 144 A C -0.321 177.069 177.584 -0.323 0.000 1.191 144 A CA 0.972 52.883 52.037 -0.210 0.000 0.613 144 A CB -1.330 17.549 19.000 -0.203 0.000 0.829 144 A HN 0.105 nan 8.150 nan 0.000 0.442 145 P HA -0.153 nan 4.420 nan 0.000 0.215 145 P C 1.739 178.889 177.300 -0.250 0.000 1.153 145 P CA 2.094 64.754 63.100 -0.733 0.000 0.853 145 P CB -0.129 31.164 31.700 -0.678 0.000 0.788 146 A N -0.358 122.370 122.820 -0.154 0.000 1.902 146 A HA -0.210 4.126 4.320 0.028 0.000 0.217 146 A C 2.107 179.680 177.584 -0.017 0.000 1.181 146 A CA 1.786 53.787 52.037 -0.060 0.000 0.623 146 A CB -1.005 17.956 19.000 -0.065 0.000 0.818 146 A HN 0.141 nan 8.150 nan 0.000 0.443 147 K N -0.524 119.847 120.400 -0.048 0.000 2.103 147 K HA 0.075 4.412 4.320 0.028 0.000 0.204 147 K C 1.771 178.388 176.600 0.029 0.000 1.052 147 K CA 1.204 57.490 56.287 -0.002 0.000 0.945 147 K CB -0.275 32.194 32.500 -0.052 0.000 0.722 147 K HN 0.511 nan 8.250 nan 0.000 0.443 148 I N 1.527 122.090 120.570 -0.010 0.000 2.142 148 I HA -0.295 3.892 4.170 0.028 0.000 0.240 148 I C 1.625 177.779 176.117 0.062 0.000 1.078 148 I CA 1.276 62.596 61.300 0.033 0.000 1.343 148 I CB -0.300 37.753 38.000 0.088 0.000 1.046 148 I HN 0.134 nan 8.210 nan 0.000 0.405 149 D N -0.309 120.148 120.400 0.096 0.000 2.123 149 D HA -0.245 4.411 4.640 0.028 0.000 0.196 149 D C 1.977 178.299 176.300 0.038 0.000 0.992 149 D CA 1.521 55.562 54.000 0.069 0.000 0.833 149 D CB -0.465 40.387 40.800 0.087 0.000 0.954 149 D HN 0.434 nan 8.370 nan 0.000 0.455 150 H N 0.714 119.772 119.070 -0.020 0.000 2.293 150 H HA -0.110 4.461 4.556 0.025 0.000 0.300 150 H C 2.031 177.343 175.328 -0.025 0.000 1.082 150 H CA 2.623 58.657 56.048 -0.024 0.000 1.308 150 H CB -0.311 29.437 29.762 -0.023 0.000 1.375 150 H HN 0.058 nan 8.280 nan 0.000 0.495 151 V N -0.944 118.893 119.914 -0.128 0.000 2.427 151 V HA -0.137 4.000 4.120 0.028 0.000 0.248 151 V C 2.416 178.416 176.094 -0.156 0.000 1.051 151 V CA 1.919 64.114 62.300 -0.176 0.000 1.048 151 V CB -0.785 31.014 31.823 -0.040 0.000 0.666 151 V HN 0.467 nan 8.190 nan 0.000 0.456 152 I N -0.084 120.417 120.570 -0.115 0.000 2.202 152 I HA -0.164 4.023 4.170 0.028 0.000 0.242 152 I C 2.885 178.896 176.117 -0.177 0.000 1.091 152 I CA 1.862 63.086 61.300 -0.127 0.000 1.368 152 I CB -0.438 37.495 38.000 -0.111 0.000 1.058 152 I HN 0.253 nan 8.210 nan 0.000 0.410 153 K N 0.243 120.535 120.400 -0.179 0.000 2.063 153 K HA -0.162 4.175 4.320 0.028 0.000 0.208 153 K C 2.103 178.597 176.600 -0.177 0.000 1.048 153 K CA 1.917 58.094 56.287 -0.184 0.000 0.928 153 K CB -0.249 32.173 32.500 -0.129 0.000 0.713 153 K HN 0.327 nan 8.250 nan 0.000 0.442 154 T N 0.899 115.317 114.554 -0.225 0.000 2.777 154 T HA -0.125 4.242 4.350 0.028 0.000 0.266 154 T C 1.943 176.560 174.700 -0.138 0.000 1.040 154 T CA 1.302 63.279 62.100 -0.205 0.000 1.141 154 T CB -0.211 68.468 68.868 -0.315 0.000 0.868 154 T HN 0.320 nan 8.240 nan 0.000 0.444 155 A N 1.370 124.111 122.820 -0.131 0.000 1.883 155 A HA -0.022 4.314 4.320 0.028 0.000 0.217 155 A C 2.304 179.835 177.584 -0.087 0.000 1.186 155 A CA 1.313 53.294 52.037 -0.092 0.000 0.624 155 A CB -0.881 18.076 19.000 -0.071 0.000 0.822 155 A HN 0.478 nan 8.150 nan 0.000 0.444 156 L N -1.351 119.805 121.223 -0.111 0.000 2.093 156 L HA -0.136 4.221 4.340 0.028 0.000 0.208 156 L C 2.810 179.647 176.870 -0.056 0.000 1.085 156 L CA 1.668 56.452 54.840 -0.092 0.000 0.755 156 L CB -0.469 41.471 42.059 -0.198 0.000 0.904 156 L HN 0.473 nan 8.230 nan 0.000 0.435 157 R N 0.190 120.649 120.500 -0.068 0.000 2.062 157 R HA -0.125 4.232 4.340 0.028 0.000 0.229 157 R C 2.008 178.288 176.300 -0.033 0.000 1.128 157 R CA 1.209 57.288 56.100 -0.035 0.000 0.960 157 R CB 0.095 30.376 30.300 -0.032 0.000 0.855 157 R HN 0.241 nan 8.270 nan 0.000 0.432 158 E N 0.801 120.967 120.200 -0.057 0.000 2.371 158 E HA -0.034 4.333 4.350 0.028 0.000 0.194 158 E C -0.097 176.445 176.600 -0.097 0.000 1.012 158 E CA 0.230 56.587 56.400 -0.070 0.000 0.860 158 E CB 0.302 29.952 29.700 -0.083 0.000 0.811 158 E HN 0.129 nan 8.360 nan 0.000 0.502 159 K N 1.184 121.534 120.400 -0.084 0.000 3.419 159 K HA -0.149 4.188 4.320 0.028 0.000 0.272 159 K C -0.312 176.199 176.600 -0.147 0.000 0.973 159 K CA 0.705 56.939 56.287 -0.089 0.000 0.749 159 K CB -1.191 31.264 32.500 -0.075 0.000 1.403 159 K HN 0.080 nan 8.250 nan 0.000 0.456 160 K N -0.590 119.719 120.400 -0.151 0.000 2.536 160 K HA 0.509 4.845 4.320 0.028 0.000 0.269 160 K C -2.612 173.936 176.600 -0.087 0.000 0.965 160 K CA -1.860 54.295 56.287 -0.220 0.000 0.860 160 K CB 2.388 34.683 32.500 -0.341 0.000 1.423 160 K HN -0.121 nan 8.250 nan 0.000 0.438 161 P HA 0.287 nan 4.420 nan 0.000 0.276 161 P C -0.430 176.906 177.300 0.061 0.000 1.252 161 P CA -0.483 62.636 63.100 0.033 0.000 0.802 161 P CB 0.995 32.728 31.700 0.055 0.000 1.035 162 V N -1.420 118.531 119.914 0.062 0.000 3.160 162 V HA 0.638 4.775 4.120 0.028 0.000 0.310 162 V C -1.572 174.609 176.094 0.144 0.000 1.181 162 V CA -1.121 61.227 62.300 0.080 0.000 1.047 162 V CB 2.074 33.909 31.823 0.021 0.000 1.068 162 V HN 0.573 nan 8.190 nan 0.000 0.441 163 Y N 1.390 121.698 120.300 0.014 0.000 2.391 163 Y HA 0.839 5.417 4.550 0.047 0.000 0.341 163 Y C -1.364 174.553 175.900 0.028 0.000 0.965 163 Y CA -0.948 57.174 58.100 0.036 0.000 1.067 163 Y CB 1.893 40.375 38.460 0.038 0.000 1.199 163 Y HN 0.841 nan 8.280 nan 0.000 0.450 164 L N 6.318 127.204 121.223 -0.560 0.000 2.408 164 L HA 0.482 4.839 4.340 0.028 0.000 0.268 164 L C -1.249 175.169 176.870 -0.753 0.000 0.986 164 L CA -0.827 53.716 54.840 -0.495 0.000 0.820 164 L CB 2.339 44.258 42.059 -0.233 0.000 1.303 164 L HN 0.749 nan 8.230 nan 0.000 0.411 165 E N 3.917 123.801 120.200 -0.528 0.000 2.238 165 E HA 0.703 5.070 4.350 0.028 0.000 0.267 165 E C -1.304 175.182 176.600 -0.189 0.000 0.887 165 E CA -0.793 55.426 56.400 -0.302 0.000 0.769 165 E CB 2.717 32.367 29.700 -0.083 0.000 1.187 165 E HN 0.439 nan 8.360 nan 0.000 0.416 166 I N 2.045 122.548 120.570 -0.112 0.000 2.439 166 I HA 0.375 4.561 4.170 0.028 0.000 0.285 166 I C -0.090 176.013 176.117 -0.024 0.000 1.021 166 I CA -1.149 60.104 61.300 -0.079 0.000 1.091 166 I CB 1.881 39.848 38.000 -0.055 0.000 1.242 166 I HN 0.766 nan 8.210 nan 0.000 0.439 167 A N 4.469 127.293 122.820 0.005 0.000 2.567 167 A HA -0.011 4.326 4.320 0.028 0.000 0.240 167 A C 1.482 179.098 177.584 0.053 0.000 1.053 167 A CA 0.057 52.131 52.037 0.061 0.000 0.755 167 A CB -0.023 19.066 19.000 0.148 0.000 0.978 167 A HN 1.123 nan 8.150 nan 0.000 0.507 168 C N 2.004 121.346 119.300 0.069 0.000 2.419 168 C HA -0.102 4.375 4.460 0.028 0.000 0.281 168 C C 1.782 176.816 174.990 0.074 0.000 1.336 168 C CA 0.910 59.988 59.018 0.100 0.000 1.770 168 C CB -1.336 26.516 27.740 0.186 0.000 1.929 168 C HN 0.909 nan 8.230 nan 0.000 0.509 169 N N 2.428 121.167 118.700 0.065 0.000 2.398 169 N HA 0.017 4.773 4.740 0.028 0.000 0.188 169 N C 1.131 176.667 175.510 0.043 0.000 1.122 169 N CA 0.923 54.004 53.050 0.051 0.000 0.866 169 N CB -0.741 37.775 38.487 0.048 0.000 0.970 169 N HN 0.862 nan 8.380 nan 0.000 0.462 170 I N -4.793 115.803 120.570 0.043 0.000 4.082 170 I HA 0.475 4.661 4.170 0.028 0.000 0.337 170 I C 1.692 177.825 176.117 0.025 0.000 1.352 170 I CA -0.364 60.955 61.300 0.032 0.000 1.097 170 I CB 0.211 38.228 38.000 0.029 0.000 1.048 170 I HN -0.054 nan 8.210 nan 0.000 0.393 171 A N 1.381 124.219 122.820 0.030 0.000 1.940 171 A HA -0.120 4.216 4.320 0.028 0.000 0.219 171 A C 2.227 179.831 177.584 0.033 0.000 1.176 171 A CA 2.190 54.245 52.037 0.030 0.000 0.631 171 A CB -0.643 18.378 19.000 0.036 0.000 0.814 171 A HN 0.501 nan 8.150 nan 0.000 0.446 172 S N -0.648 115.070 115.700 0.031 0.000 2.577 172 S HA 0.336 4.823 4.470 0.028 0.000 0.219 172 S C 0.457 175.073 174.600 0.027 0.000 0.962 172 S CA -0.233 57.984 58.200 0.028 0.000 0.921 172 S CB -0.196 63.018 63.200 0.023 0.000 0.789 172 S HN 0.504 nan 8.310 nan 0.000 0.497 173 M N 2.579 122.196 119.600 0.027 0.000 2.274 173 M HA 0.309 4.806 4.480 0.028 0.000 0.344 173 M C -2.598 173.720 176.300 0.031 0.000 1.161 173 M CA -2.126 53.188 55.300 0.024 0.000 1.126 173 M CB 0.307 32.918 32.600 0.019 0.000 1.522 173 M HN -0.196 nan 8.290 nan 0.000 0.461 174 P HA 0.103 nan 4.420 nan 0.000 0.269 174 P C -1.049 176.273 177.300 0.037 0.000 1.209 174 P CA -0.434 62.693 63.100 0.045 0.000 0.776 174 P CB 0.394 32.116 31.700 0.036 0.000 0.876 175 C N 0.015 119.352 119.300 0.061 0.000 3.316 175 C HA 0.885 5.362 4.460 0.028 0.000 0.360 175 C C 0.128 175.158 174.990 0.067 0.000 1.560 175 C CA -1.089 57.939 59.018 0.017 0.000 1.229 175 C CB 0.984 28.683 27.740 -0.068 0.000 1.823 175 C HN 0.647 nan 8.230 nan 0.000 0.440 176 A N 0.593 123.423 122.820 0.017 0.000 2.429 176 A HA 0.612 4.949 4.320 0.028 0.000 0.242 176 A C 0.563 178.248 177.584 0.168 0.000 1.088 176 A CA 0.501 52.580 52.037 0.070 0.000 0.784 176 A CB -0.469 18.547 19.000 0.026 0.000 1.038 176 A HN 2.380 nan 8.150 nan 0.000 0.501 177 A N 1.230 124.117 122.820 0.112 0.000 2.302 177 A HA 0.680 5.017 4.320 0.028 0.000 0.285 177 A C -2.436 175.060 177.584 -0.147 0.000 1.105 177 A CA -1.535 50.423 52.037 -0.131 0.000 0.816 177 A CB -0.297 18.684 19.000 -0.032 0.000 1.067 177 A HN 0.636 nan 8.150 nan 0.000 0.489 178 P HA 0.341 nan 4.420 nan 0.000 0.275 178 P C 0.538 177.683 177.300 -0.258 0.000 1.227 178 P CA 0.114 62.906 63.100 -0.513 0.000 0.781 178 P CB 0.943 32.098 31.700 -0.908 0.000 0.906 179 G N 3.246 111.966 108.800 -0.132 0.000 2.489 179 G HA2 0.358 4.335 3.960 0.028 0.000 0.271 179 G HA3 0.358 4.335 3.960 0.028 0.000 0.271 179 G C -2.340 172.511 174.900 -0.082 0.000 1.427 179 G CA -1.086 43.967 45.100 -0.078 0.000 1.057 179 G HN 0.339 nan 8.290 nan 0.000 0.532 180 P HA 0.243 nan 4.420 nan 0.000 0.269 180 P C 0.601 177.895 177.300 -0.010 0.000 1.209 180 P CA 0.379 63.466 63.100 -0.022 0.000 0.776 180 P CB 1.053 32.751 31.700 -0.004 0.000 0.876 181 A N 2.605 125.433 122.820 0.014 0.000 1.978 181 A HA -0.188 4.148 4.320 0.028 0.000 0.220 181 A C 2.111 179.791 177.584 0.160 0.000 1.170 181 A CA 2.088 54.169 52.037 0.072 0.000 0.636 181 A CB -1.654 17.413 19.000 0.111 0.000 0.810 181 A HN 0.622 nan 8.150 nan 0.000 0.448 182 S N 0.321 116.094 115.700 0.121 0.000 2.420 182 S HA -0.072 4.415 4.470 0.028 0.000 0.237 182 S C 1.962 176.643 174.600 0.135 0.000 1.023 182 S CA 1.297 59.585 58.200 0.147 0.000 0.991 182 S CB -0.700 62.538 63.200 0.064 0.000 0.792 182 S HN 0.945 nan 8.310 nan 0.000 0.488 183 A N 1.713 124.571 122.820 0.063 0.000 2.019 183 A HA 0.194 4.531 4.320 0.028 0.000 0.219 183 A C 2.196 179.772 177.584 -0.013 0.000 1.164 183 A CA 1.118 53.169 52.037 0.024 0.000 0.644 183 A CB -0.703 18.298 19.000 0.001 0.000 0.805 183 A HN 0.574 nan 8.150 nan 0.000 0.449 184 L N -2.439 118.745 121.223 -0.066 0.000 2.313 184 L HA 0.004 4.361 4.340 0.028 0.000 0.214 184 L C 1.527 178.150 176.870 -0.411 0.000 1.119 184 L CA 0.679 55.352 54.840 -0.279 0.000 0.809 184 L CB -0.250 41.540 42.059 -0.448 0.000 0.933 184 L HN 0.391 nan 8.230 nan 0.000 0.449 185 F N -1.150 118.782 119.950 -0.030 0.000 2.695 185 F HA 0.133 4.678 4.527 0.030 0.000 0.303 185 F C 1.022 176.804 175.800 -0.031 0.000 1.091 185 F CA -0.746 57.233 58.000 -0.034 0.000 1.300 185 F CB -0.295 38.681 39.000 -0.039 0.000 1.071 185 F HN -0.028 nan 8.300 nan 0.000 0.578 186 N N 1.793 120.554 118.700 0.101 0.000 2.411 186 N HA 0.023 4.780 4.740 0.028 0.000 0.265 186 N C -0.892 174.644 175.510 0.044 0.000 1.266 186 N CA 0.602 53.690 53.050 0.064 0.000 0.889 186 N CB 0.131 38.642 38.487 0.040 0.000 1.069 186 N HN 0.055 nan 8.380 nan 0.000 0.476 187 D N 1.215 121.644 120.400 0.048 0.000 2.570 187 D HA 0.239 4.896 4.640 0.028 0.000 0.244 187 D C -0.969 175.379 176.300 0.079 0.000 1.178 187 D CA -0.552 53.481 54.000 0.055 0.000 0.881 187 D CB 1.141 41.967 40.800 0.044 0.000 1.453 187 D HN 0.435 nan 8.370 nan 0.000 0.447 188 E N 0.335 120.604 120.200 0.116 0.000 2.442 188 E HA 0.405 4.772 4.350 0.028 0.000 0.262 188 E C -0.351 176.387 176.600 0.230 0.000 1.004 188 E CA -0.152 56.328 56.400 0.133 0.000 0.928 188 E CB 0.688 30.448 29.700 0.100 0.000 0.937 188 E HN 0.402 nan 8.360 nan 0.000 0.446 189 A N 2.648 125.558 122.820 0.150 0.000 2.287 189 A HA 0.288 4.625 4.320 0.028 0.000 0.273 189 A C 0.075 177.751 177.584 0.153 0.000 1.091 189 A CA -0.586 51.554 52.037 0.172 0.000 0.817 189 A CB 0.748 19.800 19.000 0.087 0.000 1.069 189 A HN 0.546 nan 8.150 nan 0.000 0.492 190 S N 0.275 116.080 115.700 0.175 0.000 2.568 190 S HA 0.126 4.613 4.470 0.028 0.000 0.282 190 S C 0.041 174.647 174.600 0.009 0.000 1.338 190 S CA -0.014 58.200 58.200 0.024 0.000 1.045 190 S CB 0.310 63.543 63.200 0.055 0.000 0.873 190 S HN 0.742 nan 8.310 nan 0.000 0.516 191 D N 1.124 121.512 120.400 -0.020 0.000 2.382 191 D HA 0.061 4.717 4.640 0.028 0.000 0.259 191 D C 1.045 177.348 176.300 0.005 0.000 1.224 191 D CA 0.033 54.033 54.000 -0.001 0.000 0.894 191 D CB 0.669 41.469 40.800 0.000 0.000 1.127 191 D HN 0.536 nan 8.370 nan 0.000 0.487 192 E N 3.707 123.913 120.200 0.010 0.000 2.038 192 E HA -0.232 4.135 4.350 0.028 0.000 0.195 192 E C 1.789 178.390 176.600 0.002 0.000 1.000 192 E CA 1.922 58.326 56.400 0.007 0.000 0.803 192 E CB -0.291 29.415 29.700 0.008 0.000 0.750 192 E HN 0.579 nan 8.360 nan 0.000 0.448 193 A N -0.287 122.540 122.820 0.011 0.000 1.933 193 A HA -0.160 4.177 4.320 0.028 0.000 0.218 193 A C 2.419 180.013 177.584 0.017 0.000 1.175 193 A CA 1.944 53.992 52.037 0.017 0.000 0.628 193 A CB -0.642 18.376 19.000 0.031 0.000 0.814 193 A HN 0.297 nan 8.150 nan 0.000 0.444 194 S N -0.590 115.128 115.700 0.031 0.000 2.371 194 S HA -0.089 4.398 4.470 0.028 0.000 0.224 194 S C 1.847 176.383 174.600 -0.108 0.000 1.029 194 S CA 1.216 59.444 58.200 0.046 0.000 0.978 194 S CB -0.395 62.867 63.200 0.104 0.000 0.833 194 S HN 0.509 nan 8.310 nan 0.000 0.466 195 L N 3.005 124.190 121.223 -0.063 0.000 1.994 195 L HA -0.086 4.270 4.340 0.028 0.000 0.208 195 L C 1.687 178.500 176.870 -0.094 0.000 1.071 195 L CA 1.818 56.621 54.840 -0.061 0.000 0.745 195 L CB -1.010 41.044 42.059 -0.010 0.000 0.892 195 L HN 0.123 nan 8.230 nan 0.000 0.431 196 N N 0.245 118.899 118.700 -0.076 0.000 2.120 196 N HA -0.139 4.618 4.740 0.028 0.000 0.188 196 N C 1.818 177.255 175.510 -0.123 0.000 1.024 196 N CA 1.668 54.674 53.050 -0.074 0.000 0.852 196 N CB -0.551 37.913 38.487 -0.038 0.000 1.003 196 N HN 0.560 nan 8.380 nan 0.000 0.424 197 A N 0.851 123.567 122.820 -0.173 0.000 1.898 197 A HA 0.081 4.418 4.320 0.028 0.000 0.216 197 A C 2.350 179.592 177.584 -0.571 0.000 1.181 197 A CA 1.790 53.687 52.037 -0.233 0.000 0.620 197 A CB -0.758 18.203 19.000 -0.065 0.000 0.819 197 A HN 0.310 nan 8.150 nan 0.000 0.442 198 A N -0.557 121.705 122.820 -0.929 0.000 1.933 198 A HA 0.021 4.358 4.320 0.028 0.000 0.218 198 A C 2.220 179.679 177.584 -0.208 0.000 1.175 198 A CA 1.746 53.212 52.037 -0.952 0.000 0.628 198 A CB -0.838 17.710 19.000 -0.755 0.000 0.814 198 A HN 0.358 nan 8.150 nan 0.000 0.444 199 V N 0.106 119.961 119.914 -0.099 0.000 2.307 199 V HA -0.261 3.876 4.120 0.028 0.000 0.245 199 V C 2.401 178.468 176.094 -0.045 0.000 1.045 199 V CA 2.264 64.529 62.300 -0.057 0.000 1.024 199 V CB -0.867 30.892 31.823 -0.106 0.000 0.651 199 V HN 0.640 nan 8.190 nan 0.000 0.449 200 E N -0.304 119.861 120.200 -0.058 0.000 2.085 200 E HA -0.219 4.148 4.350 0.028 0.000 0.194 200 E C 2.283 178.899 176.600 0.028 0.000 0.994 200 E CA 1.230 57.622 56.400 -0.013 0.000 0.801 200 E CB -0.129 29.564 29.700 -0.012 0.000 0.743 200 E HN 0.559 nan 8.360 nan 0.000 0.453 201 E N 0.140 120.352 120.200 0.020 0.000 2.150 201 E HA -0.105 4.262 4.350 0.028 0.000 0.193 201 E C 2.146 178.832 176.600 0.143 0.000 0.985 201 E CA 0.994 57.456 56.400 0.103 0.000 0.814 201 E CB -0.209 29.590 29.700 0.166 0.000 0.752 201 E HN 0.231 nan 8.360 nan 0.000 0.466 202 T N 1.882 116.504 114.554 0.113 0.000 2.777 202 T HA -0.050 4.317 4.350 0.028 0.000 0.266 202 T C 2.143 176.950 174.700 0.179 0.000 1.040 202 T CA 0.652 62.849 62.100 0.163 0.000 1.141 202 T CB -0.168 68.787 68.868 0.145 0.000 0.868 202 T HN 0.092 nan 8.240 nan 0.000 0.444 203 L N 0.428 121.716 121.223 0.108 0.000 2.046 203 L HA -0.116 4.241 4.340 0.028 0.000 0.208 203 L C 2.628 179.559 176.870 0.103 0.000 1.077 203 L CA 1.438 56.332 54.840 0.091 0.000 0.747 203 L CB -0.482 41.607 42.059 0.050 0.000 0.896 203 L HN 0.226 nan 8.230 nan 0.000 0.432 204 K N -0.555 119.914 120.400 0.115 0.000 2.057 204 K HA -0.202 4.135 4.320 0.028 0.000 0.207 204 K C 2.032 178.716 176.600 0.140 0.000 1.049 204 K CA 1.486 57.839 56.287 0.111 0.000 0.931 204 K CB -0.262 32.306 32.500 0.115 0.000 0.714 204 K HN 0.064 nan 8.250 nan 0.000 0.440 205 F N 1.813 121.793 119.950 0.050 0.000 2.134 205 F HA -0.099 4.445 4.527 0.029 0.000 0.299 205 F C 1.705 177.532 175.800 0.045 0.000 1.097 205 F CA 1.216 59.247 58.000 0.051 0.000 1.264 205 F CB 0.038 39.077 39.000 0.065 0.000 1.001 205 F HN -0.039 nan 8.300 nan 0.000 0.479 206 I N -2.177 118.460 120.570 0.111 0.000 3.875 206 I HA 0.367 4.554 4.170 0.028 0.000 0.329 206 I C 1.862 177.973 176.117 -0.009 0.000 1.295 206 I CA 0.606 61.918 61.300 0.020 0.000 1.129 206 I CB -0.770 37.308 38.000 0.131 0.000 1.008 206 I HN 0.035 nan 8.210 nan 0.000 0.413 207 A N 2.450 125.266 122.820 -0.006 0.000 1.892 207 A HA -0.189 4.147 4.320 0.028 0.000 0.218 207 A C 1.338 178.904 177.584 -0.029 0.000 1.188 207 A CA 2.054 54.087 52.037 -0.006 0.000 0.631 207 A CB -0.708 18.294 19.000 0.003 0.000 0.822 207 A HN 0.596 nan 8.150 nan 0.000 0.447 208 N N -0.545 118.116 118.700 -0.065 0.000 2.467 208 N HA 0.252 5.009 4.740 0.028 0.000 0.278 208 N C -0.773 174.678 175.510 -0.100 0.000 1.306 208 N CA -0.001 53.007 53.050 -0.069 0.000 0.905 208 N CB 0.637 39.086 38.487 -0.064 0.000 1.236 208 N HN 0.346 nan 8.380 nan 0.000 0.509 209 R N -0.087 120.351 120.500 -0.103 0.000 2.487 209 R HA 0.149 4.506 4.340 0.028 0.000 0.288 209 R C -0.204 176.067 176.300 -0.047 0.000 1.394 209 R CA -0.319 55.718 56.100 -0.106 0.000 1.155 209 R CB 1.099 31.289 30.300 -0.185 0.000 1.156 209 R HN 0.029 nan 8.270 nan 0.000 0.553 210 D N 1.845 122.225 120.400 -0.033 0.000 2.183 210 D HA -0.071 4.586 4.640 0.028 0.000 0.203 210 D C -0.129 176.171 176.300 -0.000 0.000 0.969 210 D CA 1.128 55.122 54.000 -0.010 0.000 0.842 210 D CB 0.531 41.328 40.800 -0.004 0.000 0.957 210 D HN 0.146 nan 8.370 nan 0.000 0.484 211 K N 0.622 121.015 120.400 -0.013 0.000 2.150 211 K HA 0.237 4.573 4.320 0.028 0.000 0.261 211 K C -1.026 175.578 176.600 0.007 0.000 1.127 211 K CA -0.295 55.988 56.287 -0.007 0.000 0.989 211 K CB 1.480 33.949 32.500 -0.052 0.000 1.475 211 K HN -0.047 nan 8.250 nan 0.000 0.391 212 V N 2.312 122.241 119.914 0.025 0.000 2.370 212 V HA 0.431 4.568 4.120 0.028 0.000 0.279 212 V C 0.120 176.236 176.094 0.036 0.000 1.029 212 V CA -0.850 61.479 62.300 0.048 0.000 0.870 212 V CB 1.270 33.133 31.823 0.066 0.000 0.984 212 V HN 0.680 nan 8.190 nan 0.000 0.451 213 A N 4.769 127.617 122.820 0.048 0.000 2.340 213 A HA 0.887 5.224 4.320 0.028 0.000 0.331 213 A C -0.727 176.884 177.584 0.045 0.000 1.140 213 A CA -0.593 51.459 52.037 0.025 0.000 0.801 213 A CB 1.670 20.683 19.000 0.022 0.000 1.234 213 A HN 0.637 nan 8.150 nan 0.000 0.469 214 V N 2.199 122.115 119.914 0.002 0.000 2.417 214 V HA 0.448 4.584 4.120 0.028 0.000 0.291 214 V C -0.750 175.332 176.094 -0.020 0.000 1.024 214 V CA -0.436 61.882 62.300 0.030 0.000 0.861 214 V CB 1.241 33.072 31.823 0.014 0.000 0.985 214 V HN 0.752 nan 8.190 nan 0.000 0.436 215 L N 6.443 127.682 121.223 0.027 0.000 2.294 215 L HA 0.593 4.950 4.340 0.028 0.000 0.283 215 L C -0.354 176.519 176.870 0.005 0.000 1.015 215 L CA 0.030 54.877 54.840 0.012 0.000 0.831 215 L CB 1.608 43.711 42.059 0.074 0.000 1.217 215 L HN 0.459 nan 8.230 nan 0.000 0.420 216 V N 5.244 125.142 119.914 -0.027 0.000 2.461 216 V HA 0.677 4.814 4.120 0.028 0.000 0.275 216 V C 0.910 176.997 176.094 -0.012 0.000 1.047 216 V CA 0.049 62.355 62.300 0.012 0.000 0.955 216 V CB 0.774 32.622 31.823 0.042 0.000 0.988 216 V HN 0.896 nan 8.190 nan 0.000 0.471 217 G N 2.405 111.205 108.800 -0.000 0.000 2.597 217 G HA2 0.454 4.431 3.960 0.028 0.000 0.317 217 G HA3 0.454 4.431 3.960 0.028 0.000 0.317 217 G C 0.775 175.692 174.900 0.028 0.000 1.230 217 G CA 0.163 45.220 45.100 -0.073 0.000 0.996 217 G HN 0.783 nan 8.290 nan 0.000 0.490 218 S N -1.231 114.437 115.700 -0.053 0.000 2.607 218 S HA 0.031 4.518 4.470 0.028 0.000 0.224 218 S C 1.263 175.990 174.600 0.212 0.000 0.969 218 S CA 0.459 58.694 58.200 0.059 0.000 0.927 218 S CB 0.014 63.141 63.200 -0.121 0.000 0.772 218 S HN 0.509 nan 8.310 nan 0.000 0.533 219 K N 0.251 120.702 120.400 0.085 0.000 2.397 219 K HA 0.333 4.670 4.320 0.028 0.000 0.202 219 K C 1.125 177.730 176.600 0.008 0.000 1.022 219 K CA -0.183 56.127 56.287 0.037 0.000 1.141 219 K CB 0.046 32.533 32.500 -0.020 0.000 0.857 219 K HN 0.197 nan 8.250 nan 0.000 0.514 220 L N 1.492 122.746 121.223 0.052 0.000 2.083 220 L HA -0.118 4.239 4.340 0.028 0.000 0.209 220 L C 2.347 179.104 176.870 -0.189 0.000 1.083 220 L CA 1.692 56.517 54.840 -0.025 0.000 0.752 220 L CB -0.198 41.906 42.059 0.074 0.000 0.899 220 L HN 0.097 nan 8.230 nan 0.000 0.433 221 R N -0.703 119.534 120.500 -0.438 0.000 2.073 221 R HA -0.092 4.265 4.340 0.028 0.000 0.229 221 R C 2.172 178.338 176.300 -0.222 0.000 1.120 221 R CA 1.179 57.001 56.100 -0.465 0.000 0.967 221 R CB -0.366 29.473 30.300 -0.768 0.000 0.862 221 R HN 0.417 nan 8.270 nan 0.000 0.436 222 A N 0.746 123.478 122.820 -0.148 0.000 1.978 222 A HA -0.101 4.236 4.320 0.028 0.000 0.220 222 A C 2.211 179.753 177.584 -0.069 0.000 1.170 222 A CA 1.683 53.670 52.037 -0.084 0.000 0.636 222 A CB -0.621 18.343 19.000 -0.059 0.000 0.810 222 A HN 0.535 nan 8.150 nan 0.000 0.448 223 A N -1.677 121.103 122.820 -0.066 0.000 2.208 223 A HA 0.401 4.738 4.320 0.028 0.000 0.209 223 A C 1.811 179.362 177.584 -0.055 0.000 1.161 223 A CA 1.167 53.181 52.037 -0.039 0.000 0.782 223 A CB -1.023 17.967 19.000 -0.016 0.000 0.816 223 A HN 1.898 nan 8.150 nan 0.000 0.477 224 G N -1.825 106.924 108.800 -0.085 0.000 2.225 224 G HA2 -0.037 3.940 3.960 0.028 0.000 0.267 224 G HA3 -0.037 3.940 3.960 0.028 0.000 0.267 224 G C 0.668 175.526 174.900 -0.070 0.000 1.024 224 G CA 0.475 45.522 45.100 -0.088 0.000 0.784 224 G HN 1.552 nan 8.290 nan 0.000 0.507 225 A N -1.019 121.765 122.820 -0.060 0.000 2.503 225 A HA 0.599 4.936 4.320 0.028 0.000 0.263 225 A C 1.498 179.081 177.584 -0.001 0.000 1.258 225 A CA 1.064 53.090 52.037 -0.018 0.000 0.936 225 A CB 0.115 19.122 19.000 0.012 0.000 1.070 225 A HN 0.512 nan 8.150 nan 0.000 0.522 226 E N 0.211 120.386 120.200 -0.042 0.000 2.051 226 E HA -0.237 4.130 4.350 0.028 0.000 0.192 226 E C 1.790 178.389 176.600 -0.002 0.000 0.991 226 E CA 1.490 57.879 56.400 -0.019 0.000 0.799 226 E CB -0.025 29.623 29.700 -0.086 0.000 0.748 226 E HN 0.805 nan 8.360 nan 0.000 0.449 227 E N 0.549 120.732 120.200 -0.028 0.000 2.077 227 E HA -0.186 4.181 4.350 0.028 0.000 0.193 227 E C 2.009 178.616 176.600 0.012 0.000 0.989 227 E CA 0.975 57.359 56.400 -0.026 0.000 0.800 227 E CB -0.062 29.615 29.700 -0.038 0.000 0.746 227 E HN 0.226 nan 8.360 nan 0.000 0.452 228 A N 1.051 123.887 122.820 0.027 0.000 1.972 228 A HA -0.082 4.255 4.320 0.028 0.000 0.219 228 A C 2.366 180.025 177.584 0.125 0.000 1.169 228 A CA 1.637 53.706 52.037 0.054 0.000 0.635 228 A CB -0.695 18.325 19.000 0.034 0.000 0.810 228 A HN 0.420 nan 8.150 nan 0.000 0.446 229 A N -0.560 122.354 122.820 0.156 0.000 1.933 229 A HA 0.021 4.358 4.320 0.028 0.000 0.218 229 A C 2.194 179.991 177.584 0.356 0.000 1.175 229 A CA 1.721 53.930 52.037 0.286 0.000 0.628 229 A CB -0.771 18.419 19.000 0.316 0.000 0.814 229 A HN 0.370 nan 8.150 nan 0.000 0.444 230 V N 0.138 120.173 119.914 0.202 0.000 2.358 230 V HA -0.254 3.883 4.120 0.028 0.000 0.246 230 V C 2.416 178.573 176.094 0.105 0.000 1.047 230 V CA 2.247 64.609 62.300 0.104 0.000 1.035 230 V CB -0.659 31.101 31.823 -0.106 0.000 0.658 230 V HN 0.536 nan 8.190 nan 0.000 0.452 231 K N -0.518 119.936 120.400 0.091 0.000 2.032 231 K HA -0.213 4.123 4.320 0.028 0.000 0.209 231 K C 2.131 178.792 176.600 0.102 0.000 1.048 231 K CA 2.002 58.334 56.287 0.075 0.000 0.927 231 K CB -0.405 32.134 32.500 0.064 0.000 0.712 231 K HN 0.444 nan 8.250 nan 0.000 0.441 232 F N 1.743 121.698 119.950 0.007 0.000 2.102 232 F HA -0.151 4.393 4.527 0.028 0.000 0.298 232 F C 2.170 177.955 175.800 -0.026 0.000 1.105 232 F CA 1.324 59.312 58.000 -0.020 0.000 1.239 232 F CB -0.554 38.431 39.000 -0.025 0.000 0.991 232 F HN -0.032 nan 8.300 nan 0.000 0.474 233 A N 0.015 122.718 122.820 -0.196 0.000 1.933 233 A HA -0.176 4.161 4.320 0.028 0.000 0.218 233 A C 1.956 179.253 177.584 -0.478 0.000 1.175 233 A CA 1.939 53.752 52.037 -0.374 0.000 0.628 233 A CB -1.011 18.022 19.000 0.055 0.000 0.814 233 A HN 0.447 nan 8.150 nan 0.000 0.444 234 D N 0.007 120.281 120.400 -0.210 0.000 2.144 234 D HA -0.008 4.648 4.640 0.028 0.000 0.200 234 D C 2.186 178.392 176.300 -0.156 0.000 0.978 234 D CA 1.436 55.358 54.000 -0.131 0.000 0.833 234 D CB -0.354 40.466 40.800 0.034 0.000 0.961 234 D HN 0.425 nan 8.370 nan 0.000 0.470 235 A N 0.392 123.113 122.820 -0.165 0.000 1.929 235 A HA -0.077 4.260 4.320 0.028 0.000 0.216 235 A C 2.129 179.591 177.584 -0.203 0.000 1.176 235 A CA 0.776 52.736 52.037 -0.128 0.000 0.628 235 A CB -0.532 18.433 19.000 -0.058 0.000 0.816 235 A HN 0.242 nan 8.150 nan 0.000 0.444 236 L N -0.789 120.189 121.223 -0.408 0.000 2.109 236 L HA 0.206 4.562 4.340 0.028 0.000 0.207 236 L C 1.717 178.420 176.870 -0.278 0.000 1.086 236 L CA 1.978 56.574 54.840 -0.405 0.000 0.760 236 L CB -0.497 41.114 42.059 -0.747 0.000 0.910 236 L HN 0.701 nan 8.230 nan 0.000 0.437 237 G N -1.271 107.302 108.800 -0.377 0.000 2.168 237 G HA2 -0.253 3.724 3.960 0.028 0.000 0.257 237 G HA3 -0.253 3.724 3.960 0.028 0.000 0.257 237 G C 0.663 175.511 174.900 -0.087 0.000 0.997 237 G CA 0.329 45.307 45.100 -0.204 0.000 0.708 237 G HN 0.864 nan 8.290 nan 0.000 0.520 238 G N -0.674 108.008 108.800 -0.197 0.000 2.543 238 G HA2 0.780 4.757 3.960 0.028 0.000 0.290 238 G HA3 0.780 4.757 3.960 0.028 0.000 0.290 238 G C 0.413 175.294 174.900 -0.032 0.000 1.310 238 G CA 0.215 45.270 45.100 -0.076 0.000 1.025 238 G HN 1.495 nan 8.290 nan 0.000 0.502 239 A N -1.118 121.692 122.820 -0.018 0.000 2.363 239 A HA 0.579 4.916 4.320 0.028 0.000 0.270 239 A C -0.376 177.132 177.584 -0.127 0.000 1.121 239 A CA -0.272 51.729 52.037 -0.060 0.000 0.800 239 A CB 0.810 19.768 19.000 -0.070 0.000 1.052 239 A HN 0.839 nan 8.150 nan 0.000 0.493 240 V N 1.606 121.409 119.914 -0.185 0.000 2.487 240 V HA 0.696 4.833 4.120 0.028 0.000 0.298 240 V C 0.345 176.254 176.094 -0.308 0.000 1.028 240 V CA -0.170 61.963 62.300 -0.278 0.000 0.860 240 V CB 1.163 32.673 31.823 -0.521 0.000 0.991 240 V HN 1.240 nan 8.190 nan 0.000 0.427 241 A N 3.149 125.819 122.820 -0.250 0.000 2.380 241 A HA 0.944 5.281 4.320 0.028 0.000 0.315 241 A C 0.036 177.558 177.584 -0.102 0.000 1.101 241 A CA -0.552 51.334 52.037 -0.250 0.000 0.771 241 A CB 1.765 20.640 19.000 -0.207 0.000 1.287 241 A HN 0.893 nan 8.150 nan 0.000 0.436 242 T N 0.006 114.544 114.554 -0.026 0.000 2.859 242 T HA 0.634 5.000 4.350 0.028 0.000 0.281 242 T C 0.294 174.916 174.700 -0.129 0.000 1.005 242 T CA -0.555 61.528 62.100 -0.028 0.000 1.025 242 T CB 0.598 69.490 68.868 0.040 0.000 0.977 242 T HN 0.548 nan 8.240 nan 0.000 0.458 243 M N 1.978 121.475 119.600 -0.171 0.000 2.207 243 M HA 0.336 4.832 4.480 0.028 0.000 0.311 243 M C 1.931 177.951 176.300 -0.466 0.000 1.127 243 M CA -0.516 54.616 55.300 -0.280 0.000 1.181 243 M CB 0.359 32.797 32.600 -0.269 0.000 1.409 243 M HN 0.949 nan 8.290 nan 0.000 0.461 244 A N 1.587 123.932 122.820 -0.792 0.000 1.892 244 A HA -0.145 4.192 4.320 0.028 0.000 0.218 244 A C 2.074 179.094 177.584 -0.940 0.000 1.188 244 A CA 2.327 53.693 52.037 -1.118 0.000 0.631 244 A CB -1.108 16.463 19.000 -2.382 0.000 0.822 244 A HN 0.950 nan 8.150 nan 0.000 0.447 245 A N -1.082 121.210 122.820 -0.880 0.000 2.209 245 A HA 0.426 4.763 4.320 0.028 0.000 0.212 245 A C 1.888 179.113 177.584 -0.599 0.000 1.158 245 A CA 1.275 52.882 52.037 -0.717 0.000 0.742 245 A CB -0.545 18.099 19.000 -0.593 0.000 0.790 245 A HN 1.076 nan 8.150 nan 0.000 0.472 246 A N -0.637 121.826 122.820 -0.596 0.000 2.379 246 A HA 0.342 4.678 4.320 0.028 0.000 0.236 246 A C 0.874 178.051 177.584 -0.679 0.000 1.272 246 A CA -0.139 51.426 52.037 -0.786 0.000 0.886 246 A CB -0.345 18.460 19.000 -0.325 0.000 0.962 246 A HN 0.267 nan 8.150 nan 0.000 0.504 247 K N 1.299 121.439 120.400 -0.434 0.000 2.504 247 K HA 0.124 4.461 4.320 0.028 0.000 0.278 247 K C 1.034 177.495 176.600 -0.232 0.000 1.025 247 K CA 1.300 57.455 56.287 -0.219 0.000 1.093 247 K CB -0.163 32.321 32.500 -0.027 0.000 0.873 247 K HN 1.075 nan 8.250 nan 0.000 0.483 248 S N 2.734 118.378 115.700 -0.094 0.000 2.765 248 S HA -0.152 4.335 4.470 0.028 0.000 0.266 248 S C 0.724 175.459 174.600 0.225 0.000 1.302 248 S CA 0.843 59.051 58.200 0.015 0.000 1.274 248 S CB -2.173 61.034 63.200 0.013 0.000 1.559 248 S HN 0.503 nan 8.310 nan 0.000 0.658 249 F N 0.960 120.902 119.950 -0.014 0.000 2.811 249 F HA 0.590 5.134 4.527 0.027 0.000 0.301 249 F C 0.773 176.622 175.800 0.082 0.000 1.151 249 F CA -0.536 57.474 58.000 0.018 0.000 1.412 249 F CB -0.328 38.687 39.000 0.025 0.000 1.113 249 F HN 0.497 nan 8.300 nan 0.000 0.579 250 F N 1.635 121.611 119.950 0.043 0.000 2.578 250 F HA 0.512 5.055 4.527 0.028 0.000 0.311 250 F C -2.588 173.085 175.800 -0.211 0.000 1.094 250 F CA -2.838 55.125 58.000 -0.061 0.000 0.923 250 F CB 1.743 40.716 39.000 -0.045 0.000 1.230 250 F HN -0.331 nan 8.300 nan 0.000 0.450 251 P HA 0.137 nan 4.420 nan 0.000 0.271 251 P C -0.495 176.595 177.300 -0.350 0.000 1.233 251 P CA 0.190 63.036 63.100 -0.424 0.000 0.764 251 P CB 0.951 32.386 31.700 -0.441 0.000 0.825 252 E N 1.889 121.901 120.200 -0.314 0.000 2.435 252 E HA -0.085 4.282 4.350 0.028 0.000 0.195 252 E C 0.810 177.421 176.600 0.018 0.000 1.029 252 E CA 0.634 56.854 56.400 -0.299 0.000 0.865 252 E CB 0.198 29.776 29.700 -0.203 0.000 0.833 252 E HN 0.630 nan 8.360 nan 0.000 0.510 253 E N 1.028 121.217 120.200 -0.018 0.000 2.489 253 E HA 0.001 4.368 4.350 0.028 0.000 0.193 253 E C 0.505 177.125 176.600 0.034 0.000 1.057 253 E CA -0.265 56.150 56.400 0.026 0.000 0.866 253 E CB 0.123 29.822 29.700 -0.002 0.000 0.916 253 E HN 0.100 nan 8.360 nan 0.000 0.500 254 N N 2.197 120.921 118.700 0.040 0.000 2.492 254 N HA -0.016 4.741 4.740 0.028 0.000 0.262 254 N C -1.637 173.950 175.510 0.129 0.000 1.202 254 N CA -1.064 52.038 53.050 0.088 0.000 0.926 254 N CB 1.107 39.674 38.487 0.133 0.000 1.078 254 N HN -0.108 nan 8.380 nan 0.000 0.454 255 P HA -0.041 nan 4.420 nan 0.000 0.233 255 P C 0.381 177.584 177.300 -0.161 0.000 1.167 255 P CA 1.068 64.099 63.100 -0.114 0.000 0.770 255 P CB 0.145 31.701 31.700 -0.240 0.000 0.837 256 H N -2.468 116.697 119.070 0.158 0.000 2.551 256 H HA 0.050 4.623 4.556 0.028 0.000 0.266 256 H C 0.271 175.651 175.328 0.086 0.000 0.964 256 H CA -0.132 55.980 56.048 0.107 0.000 1.180 256 H CB -0.312 29.515 29.762 0.109 0.000 1.408 256 H HN 0.161 nan 8.280 nan 0.000 0.563 257 Y N 2.524 122.913 120.300 0.148 0.000 2.436 257 Y HA 0.092 4.658 4.550 0.028 0.000 0.336 257 Y C 1.377 177.220 175.900 -0.094 0.000 1.049 257 Y CA -0.584 57.545 58.100 0.048 0.000 1.294 257 Y CB 0.274 38.856 38.460 0.203 0.000 1.179 257 Y HN 0.081 nan 8.280 nan 0.000 0.520 258 I N 2.681 122.763 120.570 -0.813 0.000 4.018 258 I HA 0.643 4.829 4.170 0.028 0.000 0.337 258 I C 0.799 176.430 176.117 -0.811 0.000 1.327 258 I CA 0.415 61.179 61.300 -0.893 0.000 1.100 258 I CB -0.026 37.169 38.000 -1.341 0.000 1.025 258 I HN 0.778 nan 8.210 nan 0.000 0.396 259 G N 1.178 109.116 108.800 -1.437 0.000 2.396 259 G HA2 -0.121 3.855 3.960 0.028 0.000 0.254 259 G HA3 -0.121 3.855 3.960 0.028 0.000 0.254 259 G C -0.541 173.854 174.900 -0.842 0.000 1.248 259 G CA -0.364 44.064 45.100 -1.119 0.000 1.033 259 G HN 0.141 nan 8.290 nan 0.000 0.502 260 T N 0.728 114.720 114.554 -0.937 0.000 2.832 260 T HA 0.538 4.905 4.350 0.028 0.000 0.296 260 T C 0.475 175.115 174.700 -0.100 0.000 0.968 260 T CA 0.842 62.703 62.100 -0.398 0.000 1.107 260 T CB 1.342 70.049 68.868 -0.268 0.000 0.916 260 T HN 1.159 nan 8.240 nan 0.000 0.517 261 S N 3.201 118.874 115.700 -0.045 0.000 2.422 261 S HA 0.471 4.957 4.470 0.028 0.000 0.308 261 S C -1.211 173.500 174.600 0.186 0.000 1.097 261 S CA -0.659 57.585 58.200 0.073 0.000 1.099 261 S CB 0.120 63.341 63.200 0.035 0.000 0.976 261 S HN 0.767 nan 8.310 nan 0.000 0.471 262 W N 5.491 126.819 121.300 0.047 0.000 0.969 262 W HA 0.394 5.071 4.660 0.027 0.000 0.317 262 W C 0.531 177.118 176.519 0.114 0.000 0.875 262 W CA -0.335 57.049 57.345 0.065 0.000 1.411 262 W CB -0.043 29.439 29.460 0.038 0.000 1.457 262 W HN 1.136 nan 8.180 nan 0.000 0.491 263 G N 2.400 111.385 108.800 0.309 0.000 2.634 263 G HA2 -0.427 3.550 3.960 0.028 0.000 0.309 263 G HA3 -0.427 3.550 3.960 0.028 0.000 0.309 263 G C 1.103 176.085 174.900 0.136 0.000 1.265 263 G CA 1.095 46.309 45.100 0.190 0.000 0.998 263 G HN 0.593 nan 8.290 nan 0.000 0.551 264 E N 0.305 120.553 120.200 0.079 0.000 2.516 264 E HA 0.092 4.459 4.350 0.028 0.000 0.199 264 E C 1.816 178.441 176.600 0.041 0.000 1.069 264 E CA 1.486 57.919 56.400 0.054 0.000 0.876 264 E CB -0.160 29.555 29.700 0.025 0.000 0.843 264 E HN 1.294 nan 8.360 nan 0.000 0.530 265 V N -1.480 118.452 119.914 0.029 0.000 3.043 265 V HA 0.292 4.429 4.120 0.028 0.000 0.357 265 V C 0.241 176.450 176.094 0.192 0.000 1.372 265 V CA -0.794 61.525 62.300 0.031 0.000 1.214 265 V CB 0.116 31.852 31.823 -0.144 0.000 1.224 265 V HN 0.017 nan 8.190 nan 0.000 0.507 266 S N 0.481 116.317 115.700 0.227 0.000 2.600 266 S HA 0.497 4.984 4.470 0.028 0.000 0.265 266 S C -0.144 174.665 174.600 0.349 0.000 1.325 266 S CA -0.110 58.268 58.200 0.297 0.000 1.002 266 S CB 0.342 63.679 63.200 0.228 0.000 0.921 266 S HN 0.478 nan 8.310 nan 0.000 0.554 267 Y N 1.717 122.090 120.300 0.122 0.000 2.511 267 Y HA 0.183 4.750 4.550 0.028 0.000 0.347 267 Y C -1.913 174.059 175.900 0.121 0.000 1.257 267 Y CA -1.856 56.309 58.100 0.108 0.000 1.469 267 Y CB -0.774 37.734 38.460 0.081 0.000 1.353 267 Y HN 0.393 nan 8.280 nan 0.000 0.617 268 P HA 0.098 nan 4.420 nan 0.000 0.261 268 P C 0.636 178.071 177.300 0.224 0.000 1.183 268 P CA 1.784 64.972 63.100 0.146 0.000 0.761 268 P CB 0.327 32.065 31.700 0.063 0.000 0.785 269 G N 1.648 110.549 108.800 0.170 0.000 2.253 269 G HA2 -0.320 3.657 3.960 0.028 0.000 0.251 269 G HA3 -0.320 3.657 3.960 0.028 0.000 0.251 269 G C 1.012 176.139 174.900 0.378 0.000 0.998 269 G CA 0.303 45.519 45.100 0.194 0.000 0.621 269 G HN 0.400 nan 8.290 nan 0.000 0.524 270 V N 0.746 120.867 119.914 0.345 0.000 2.323 270 V HA -0.056 4.081 4.120 0.028 0.000 0.244 270 V C 2.432 178.641 176.094 0.192 0.000 1.041 270 V CA 2.758 65.200 62.300 0.236 0.000 1.025 270 V CB -0.301 31.599 31.823 0.128 0.000 0.656 270 V HN 0.595 nan 8.190 nan 0.000 0.451 271 E N 0.420 120.728 120.200 0.180 0.000 2.058 271 E HA -0.309 4.057 4.350 0.028 0.000 0.194 271 E C 2.309 179.005 176.600 0.159 0.000 0.997 271 E CA 1.795 58.287 56.400 0.152 0.000 0.801 271 E CB -0.093 29.689 29.700 0.136 0.000 0.746 271 E HN 0.533 nan 8.360 nan 0.000 0.450 272 K N -0.495 120.022 120.400 0.194 0.000 2.097 272 K HA -0.100 4.237 4.320 0.028 0.000 0.205 272 K C 2.001 178.791 176.600 0.318 0.000 1.050 272 K CA 1.660 58.089 56.287 0.237 0.000 0.938 272 K CB 0.030 32.682 32.500 0.253 0.000 0.718 272 K HN 0.075 nan 8.250 nan 0.000 0.442 273 T N 1.263 116.043 114.554 0.377 0.000 2.777 273 T HA -0.093 4.274 4.350 0.028 0.000 0.266 273 T C 1.726 176.512 174.700 0.142 0.000 1.040 273 T CA 1.093 63.422 62.100 0.380 0.000 1.141 273 T CB -0.017 69.112 68.868 0.436 0.000 0.868 273 T HN 0.154 nan 8.240 nan 0.000 0.444 274 M N 1.172 120.844 119.600 0.120 0.000 2.159 274 M HA 0.002 4.499 4.480 0.028 0.000 0.263 274 M C 2.203 178.528 176.300 0.041 0.000 1.063 274 M CA 1.390 56.731 55.300 0.069 0.000 1.110 274 M CB -0.969 31.678 32.600 0.077 0.000 1.374 274 M HN 0.196 nan 8.290 nan 0.000 0.411 275 K N 0.273 120.703 120.400 0.049 0.000 2.097 275 K HA -0.137 4.199 4.320 0.028 0.000 0.205 275 K C 1.499 178.074 176.600 -0.041 0.000 1.050 275 K CA 1.006 57.305 56.287 0.020 0.000 0.938 275 K CB 0.254 32.781 32.500 0.045 0.000 0.718 275 K HN 0.183 nan 8.250 nan 0.000 0.442 276 E N 0.355 120.484 120.200 -0.119 0.000 2.442 276 E HA 0.050 4.417 4.350 0.028 0.000 0.195 276 E C 0.189 176.646 176.600 -0.238 0.000 1.030 276 E CA 0.177 56.407 56.400 -0.283 0.000 0.869 276 E CB 0.204 29.454 29.700 -0.749 0.000 0.857 276 E HN 0.310 nan 8.360 nan 0.000 0.505 277 A N 1.831 124.573 122.820 -0.131 0.000 2.498 277 A HA 0.004 4.341 4.320 0.028 0.000 0.239 277 A C 0.657 178.214 177.584 -0.045 0.000 1.068 277 A CA -0.074 51.920 52.037 -0.071 0.000 0.766 277 A CB 0.326 19.322 19.000 -0.007 0.000 1.003 277 A HN -0.114 nan 8.150 nan 0.000 0.497 278 D N 0.610 120.987 120.400 -0.039 0.000 2.249 278 D HA 0.254 4.910 4.640 0.028 0.000 0.205 278 D C 0.613 176.923 176.300 0.016 0.000 0.962 278 D CA 1.782 55.761 54.000 -0.035 0.000 0.860 278 D CB 0.109 40.871 40.800 -0.063 0.000 0.955 278 D HN 0.706 nan 8.370 nan 0.000 0.505 279 A N 0.194 123.055 122.820 0.068 0.000 2.488 279 A HA 0.558 4.895 4.320 0.028 0.000 0.298 279 A C -1.184 176.495 177.584 0.158 0.000 1.044 279 A CA -0.565 51.586 52.037 0.191 0.000 0.693 279 A CB 1.949 21.103 19.000 0.257 0.000 1.272 279 A HN -0.104 nan 8.150 nan 0.000 0.402 280 V N 3.428 123.444 119.914 0.171 0.000 2.407 280 V HA 0.371 4.507 4.120 0.028 0.000 0.291 280 V C -0.418 175.762 176.094 0.143 0.000 1.018 280 V CA -0.167 62.212 62.300 0.131 0.000 0.842 280 V CB 1.369 33.255 31.823 0.105 0.000 0.996 280 V HN 0.728 nan 8.190 nan 0.000 0.426 281 I N 4.682 125.344 120.570 0.153 0.000 2.287 281 I HA 0.513 4.700 4.170 0.028 0.000 0.290 281 I C 0.688 176.883 176.117 0.131 0.000 1.069 281 I CA -0.207 61.186 61.300 0.155 0.000 1.237 281 I CB 1.185 39.320 38.000 0.225 0.000 1.418 281 I HN 0.660 nan 8.210 nan 0.000 0.481 282 A N 8.307 131.196 122.820 0.116 0.000 2.269 282 A HA 0.635 4.972 4.320 0.028 0.000 0.302 282 A C -0.243 177.379 177.584 0.063 0.000 1.266 282 A CA -0.431 51.673 52.037 0.112 0.000 0.894 282 A CB 0.220 19.338 19.000 0.196 0.000 1.147 282 A HN 0.739 nan 8.150 nan 0.000 0.537 283 L N 2.780 124.032 121.223 0.049 0.000 2.272 283 L HA 0.490 4.847 4.340 0.028 0.000 0.284 283 L C 1.018 177.892 176.870 0.006 0.000 1.045 283 L CA -0.059 54.805 54.840 0.040 0.000 0.842 283 L CB 0.880 42.985 42.059 0.077 0.000 1.224 283 L HN 1.072 nan 8.230 nan 0.000 0.430 284 A N 3.671 126.479 122.820 -0.020 0.000 2.610 284 A HA -0.123 4.213 4.320 0.028 0.000 0.299 284 A C -2.280 175.241 177.584 -0.105 0.000 1.487 284 A CA -0.243 51.767 52.037 -0.045 0.000 0.743 284 A CB -1.765 17.226 19.000 -0.015 0.000 1.070 284 A HN 0.492 nan 8.150 nan 0.000 0.439 285 P HA 0.540 nan 4.420 nan 0.000 0.279 285 P C -0.448 176.565 177.300 -0.477 0.000 1.252 285 P CA -0.352 62.482 63.100 -0.443 0.000 0.811 285 P CB 1.784 33.017 31.700 -0.779 0.000 1.035 286 V N 2.703 122.307 119.914 -0.516 0.000 2.409 286 V HA 0.268 4.405 4.120 0.028 0.000 0.290 286 V C -0.481 175.395 176.094 -0.363 0.000 1.017 286 V CA -0.320 61.779 62.300 -0.335 0.000 0.841 286 V CB 0.435 32.157 31.823 -0.168 0.000 1.003 286 V HN 0.316 nan 8.190 nan 0.000 0.426 287 F N 5.488 125.471 119.950 0.055 0.000 2.335 287 F HA 0.519 5.063 4.527 0.027 0.000 0.365 287 F C 0.607 176.487 175.800 0.134 0.000 1.122 287 F CA -0.722 57.334 58.000 0.093 0.000 1.151 287 F CB 0.614 39.701 39.000 0.145 0.000 1.282 287 F HN 0.684 nan 8.300 nan 0.000 0.513 288 N N 0.208 119.006 118.700 0.164 0.000 2.966 288 N HA 0.234 4.991 4.740 0.028 0.000 0.314 288 N C 0.481 175.719 175.510 -0.454 0.000 1.397 288 N CA -0.791 52.265 53.050 0.010 0.000 0.776 288 N CB 0.314 38.805 38.487 0.006 0.000 1.576 288 N HN 0.258 nan 8.380 nan 0.000 0.592 289 D N -1.369 118.607 120.400 -0.707 0.000 2.218 289 D HA -0.197 4.460 4.640 0.028 0.000 0.204 289 D C 0.861 176.998 176.300 -0.272 0.000 0.976 289 D CA 1.429 54.779 54.000 -1.084 0.000 0.853 289 D CB -0.358 40.015 40.800 -0.713 0.000 0.939 289 D HN 0.454 nan 8.370 nan 0.000 0.481 290 Y N 1.394 121.609 120.300 -0.142 0.000 2.347 290 Y HA 0.026 4.594 4.550 0.031 0.000 0.294 290 Y C 2.842 178.986 175.900 0.406 0.000 1.117 290 Y CA 0.561 58.804 58.100 0.238 0.000 1.184 290 Y CB -0.576 38.095 38.460 0.352 0.000 1.047 290 Y HN 0.131 nan 8.280 nan 0.000 0.546 291 S N -1.257 114.620 115.700 0.295 0.000 2.489 291 S HA -0.076 4.411 4.470 0.028 0.000 0.228 291 S C 1.550 176.335 174.600 0.310 0.000 0.995 291 S CA 1.072 59.382 58.200 0.184 0.000 0.934 291 S CB -0.918 62.259 63.200 -0.039 0.000 0.771 291 S HN 0.448 nan 8.310 nan 0.000 0.522 292 T N -1.767 112.917 114.554 0.218 0.000 3.145 292 T HA 0.239 4.606 4.350 0.028 0.000 0.255 292 T C 0.323 175.120 174.700 0.161 0.000 1.039 292 T CA 0.293 62.514 62.100 0.201 0.000 0.928 292 T CB -0.791 68.166 68.868 0.149 0.000 1.029 292 T HN 0.285 nan 8.240 nan 0.000 0.554 293 T N 1.869 116.559 114.554 0.227 0.000 3.580 293 T HA -0.063 4.304 4.350 0.028 0.000 0.402 293 T C 1.207 175.846 174.700 -0.102 0.000 0.765 293 T CA 0.848 62.996 62.100 0.079 0.000 2.064 293 T CB -2.189 66.738 68.868 0.098 0.000 1.724 293 T HN 1.735 nan 8.240 nan 0.000 0.719 294 G N 0.630 109.291 108.800 -0.231 0.000 2.246 294 G HA2 -0.286 3.691 3.960 0.028 0.000 0.273 294 G HA3 -0.286 3.691 3.960 0.028 0.000 0.273 294 G C 0.483 175.341 174.900 -0.070 0.000 1.055 294 G CA 0.665 45.605 45.100 -0.266 0.000 0.851 294 G HN 1.345 nan 8.290 nan 0.000 0.500 295 W N -2.996 118.347 121.300 0.071 0.000 3.456 295 W HA -0.325 4.351 4.660 0.026 0.000 0.314 295 W C 1.889 178.430 176.519 0.036 0.000 1.192 295 W CA 1.332 58.709 57.345 0.054 0.000 0.654 295 W CB -2.265 27.215 29.460 0.033 0.000 2.251 295 W HN 1.016 nan 8.180 nan 0.000 1.360 296 T N -3.889 110.779 114.554 0.189 0.000 3.057 296 T HA 0.049 4.416 4.350 0.028 0.000 0.254 296 T C 0.438 175.212 174.700 0.123 0.000 1.094 296 T CA 1.099 63.278 62.100 0.130 0.000 1.088 296 T CB 0.296 69.209 68.868 0.075 0.000 0.934 296 T HN 0.094 nan 8.240 nan 0.000 0.497 297 D N 0.799 121.288 120.400 0.148 0.000 2.443 297 D HA 0.375 5.032 4.640 0.028 0.000 0.281 297 D C -0.966 175.406 176.300 0.120 0.000 1.210 297 D CA -0.689 53.391 54.000 0.134 0.000 0.875 297 D CB -0.168 40.733 40.800 0.168 0.000 1.125 297 D HN 0.418 nan 8.370 nan 0.000 0.503 298 I N 2.657 123.268 120.570 0.068 0.000 2.404 298 I HA 0.390 4.577 4.170 0.028 0.000 0.293 298 I C -1.793 174.259 176.117 -0.108 0.000 0.992 298 I CA -2.082 59.196 61.300 -0.037 0.000 1.149 298 I CB 1.640 39.644 38.000 0.007 0.000 1.315 298 I HN 0.122 nan 8.210 nan 0.000 0.446 299 P HA 0.021 nan 4.420 nan 0.000 0.268 299 P C -0.658 176.574 177.300 -0.112 0.000 1.205 299 P CA -0.243 62.761 63.100 -0.160 0.000 0.771 299 P CB 0.370 31.928 31.700 -0.236 0.000 0.858 300 D N 3.825 124.200 120.400 -0.042 0.000 2.412 300 D HA 0.007 4.664 4.640 0.028 0.000 0.257 300 D C -1.475 174.818 176.300 -0.013 0.000 1.217 300 D CA -1.726 52.263 54.000 -0.019 0.000 0.897 300 D CB 0.488 41.292 40.800 0.008 0.000 1.132 300 D HN 0.128 nan 8.370 nan 0.000 0.493 301 P HA -0.134 nan 4.420 nan 0.000 0.221 301 P C 0.746 178.059 177.300 0.021 0.000 1.145 301 P CA 1.284 64.373 63.100 -0.018 0.000 0.795 301 P CB 0.210 31.895 31.700 -0.025 0.000 0.775 302 K N -0.293 120.135 120.400 0.047 0.000 2.217 302 K HA -0.027 4.310 4.320 0.028 0.000 0.202 302 K C 1.595 178.316 176.600 0.201 0.000 1.051 302 K CA 0.985 57.332 56.287 0.099 0.000 0.952 302 K CB -0.075 32.467 32.500 0.071 0.000 0.736 302 K HN 0.198 nan 8.250 nan 0.000 0.453 303 K N 0.329 120.829 120.400 0.167 0.000 2.358 303 K HA 0.113 4.449 4.320 0.028 0.000 0.197 303 K C -0.217 176.528 176.600 0.242 0.000 1.025 303 K CA -0.246 56.192 56.287 0.252 0.000 1.104 303 K CB 0.405 32.987 32.500 0.136 0.000 0.855 303 K HN -0.052 nan 8.250 nan 0.000 0.531 304 L N 1.729 123.008 121.223 0.093 0.000 2.305 304 L HA 0.192 4.549 4.340 0.028 0.000 0.281 304 L C -0.749 176.052 176.870 -0.115 0.000 1.085 304 L CA -0.354 54.498 54.840 0.019 0.000 0.813 304 L CB 1.329 43.390 42.059 0.004 0.000 1.157 304 L HN -0.248 nan 8.230 nan 0.000 0.436 305 V N 6.631 126.504 119.914 -0.069 0.000 2.347 305 V HA 0.315 4.452 4.120 0.028 0.000 0.280 305 V C -0.391 175.685 176.094 -0.030 0.000 1.021 305 V CA -0.576 61.653 62.300 -0.118 0.000 0.847 305 V CB 1.345 33.137 31.823 -0.052 0.000 0.990 305 V HN 0.554 nan 8.190 nan 0.000 0.444 306 L N 5.851 127.042 121.223 -0.053 0.000 2.283 306 L HA 0.724 5.081 4.340 0.028 0.000 0.281 306 L C 0.484 177.308 176.870 -0.077 0.000 1.033 306 L CA -0.283 54.549 54.840 -0.013 0.000 0.848 306 L CB 0.848 42.915 42.059 0.013 0.000 1.226 306 L HN 0.682 nan 8.230 nan 0.000 0.429 307 A N 5.429 128.201 122.820 -0.079 0.000 2.582 307 A HA 0.563 4.899 4.320 0.028 0.000 0.336 307 A C 0.137 177.663 177.584 -0.098 0.000 1.445 307 A CA -0.660 51.276 52.037 -0.170 0.000 0.997 307 A CB -0.195 18.718 19.000 -0.146 0.000 1.148 307 A HN 0.660 nan 8.150 nan 0.000 0.514 308 E N 2.510 122.651 120.200 -0.098 0.000 2.351 308 E HA 0.160 4.527 4.350 0.028 0.000 0.255 308 E C -1.729 174.840 176.600 -0.052 0.000 1.188 308 E CA -1.769 54.594 56.400 -0.061 0.000 0.940 308 E CB -0.067 29.603 29.700 -0.050 0.000 1.094 308 E HN 0.238 nan 8.360 nan 0.000 0.474 309 P HA -0.073 nan 4.420 nan 0.000 0.216 309 P C 0.638 177.951 177.300 0.021 0.000 1.150 309 P CA 1.571 64.671 63.100 0.001 0.000 0.837 309 P CB 0.253 31.953 31.700 -0.001 0.000 0.786 310 R N -1.498 118.990 120.500 -0.020 0.000 2.572 310 R HA 0.290 4.647 4.340 0.028 0.000 0.370 310 R C -0.013 176.226 176.300 -0.102 0.000 1.005 310 R CA 0.101 56.163 56.100 -0.063 0.000 1.146 310 R CB 0.628 30.894 30.300 -0.056 0.000 1.390 310 R HN 0.184 nan 8.270 nan 0.000 0.553 311 S N -1.305 114.339 115.700 -0.094 0.000 2.565 311 S HA 0.566 5.053 4.470 0.028 0.000 0.269 311 S C -0.885 173.631 174.600 -0.139 0.000 1.153 311 S CA -0.790 57.355 58.200 -0.092 0.000 0.835 311 S CB 2.364 65.528 63.200 -0.060 0.000 1.122 311 S HN -0.133 nan 8.310 nan 0.000 0.462 312 V N 1.360 121.199 119.914 -0.124 0.000 2.588 312 V HA 0.641 4.778 4.120 0.028 0.000 0.304 312 V C -0.851 175.230 176.094 -0.022 0.000 1.042 312 V CA -0.676 61.505 62.300 -0.198 0.000 0.877 312 V CB 1.822 33.358 31.823 -0.478 0.000 0.996 312 V HN 0.861 nan 8.190 nan 0.000 0.425 313 V N 5.110 124.987 119.914 -0.062 0.000 2.357 313 V HA 0.694 4.830 4.120 0.028 0.000 0.284 313 V C -0.407 175.647 176.094 -0.067 0.000 1.018 313 V CA -0.490 61.785 62.300 -0.042 0.000 0.841 313 V CB 1.664 33.449 31.823 -0.064 0.000 0.991 313 V HN 0.648 nan 8.190 nan 0.000 0.437 314 V N 5.100 125.003 119.914 -0.018 0.000 2.851 314 V HA 0.575 4.712 4.120 0.028 0.000 0.307 314 V C 0.215 176.262 176.094 -0.078 0.000 1.129 314 V CA -0.384 61.845 62.300 -0.118 0.000 0.932 314 V CB 1.960 33.753 31.823 -0.050 0.000 1.024 314 V HN 0.942 nan 8.190 nan 0.000 0.426 315 N N 4.055 122.605 118.700 -0.250 0.000 2.725 315 N HA -0.155 4.602 4.740 0.028 0.000 0.249 315 N C 0.888 176.408 175.510 0.018 0.000 1.103 315 N CA 2.025 55.066 53.050 -0.015 0.000 0.707 315 N CB -1.181 37.396 38.487 0.149 0.000 1.043 315 N HN 2.341 nan 8.380 nan 0.000 0.553 316 G N -1.564 107.211 108.800 -0.042 0.000 2.148 316 G HA2 -0.284 3.693 3.960 0.028 0.000 0.254 316 G HA3 -0.284 3.693 3.960 0.028 0.000 0.254 316 G C 0.092 174.942 174.900 -0.084 0.000 0.981 316 G CA 0.510 45.584 45.100 -0.042 0.000 0.670 316 G HN 0.562 nan 8.290 nan 0.000 0.528 317 I N -0.372 120.126 120.570 -0.119 0.000 2.509 317 I HA 0.487 4.673 4.170 0.028 0.000 0.293 317 I C 0.379 176.249 176.117 -0.412 0.000 1.020 317 I CA -1.089 60.033 61.300 -0.297 0.000 1.088 317 I CB 2.037 39.801 38.000 -0.392 0.000 1.267 317 I HN 0.081 nan 8.210 nan 0.000 0.430 318 R N 5.224 125.450 120.500 -0.458 0.000 2.265 318 R HA 0.496 4.853 4.340 0.028 0.000 0.319 318 R C -1.680 174.306 176.300 -0.524 0.000 1.006 318 R CA -0.361 55.526 56.100 -0.355 0.000 0.880 318 R CB 0.669 30.851 30.300 -0.196 0.000 1.077 318 R HN 0.423 nan 8.270 nan 0.000 0.454 319 F N 7.138 127.033 119.950 -0.092 0.000 2.307 319 F HA 0.360 4.904 4.527 0.028 0.000 0.369 319 F C -1.742 173.995 175.800 -0.105 0.000 1.076 319 F CA -2.242 55.704 58.000 -0.091 0.000 1.149 319 F CB 1.162 40.104 39.000 -0.097 0.000 1.410 319 F HN 0.390 nan 8.300 nan 0.000 0.481 320 P HA 0.075 nan 4.420 nan 0.000 0.274 320 P C 0.110 177.395 177.300 -0.025 0.000 1.260 320 P CA -0.033 63.056 63.100 -0.018 0.000 0.793 320 P CB 0.900 32.579 31.700 -0.035 0.000 1.048 321 S N -3.036 112.613 115.700 -0.086 0.000 3.698 321 S HA -0.089 4.398 4.470 0.028 0.000 0.338 321 S C 0.002 174.501 174.600 -0.167 0.000 1.089 321 S CA 0.591 58.706 58.200 -0.141 0.000 0.991 321 S CB -2.090 61.063 63.200 -0.079 0.000 0.909 321 S HN 0.407 nan 8.310 nan 0.000 0.485 322 V N 1.768 121.581 119.914 -0.169 0.000 2.376 322 V HA 0.316 4.453 4.120 0.028 0.000 0.287 322 V C 0.222 176.232 176.094 -0.139 0.000 1.015 322 V CA -0.730 61.491 62.300 -0.132 0.000 0.834 322 V CB 1.156 32.924 31.823 -0.092 0.000 1.001 322 V HN 0.507 nan 8.190 nan 0.000 0.428 323 H N 3.354 122.421 119.070 -0.004 0.000 2.803 323 H HA 0.119 4.692 4.556 0.027 0.000 0.330 323 H C 0.879 176.216 175.328 0.015 0.000 1.057 323 H CA -0.409 55.637 56.048 -0.004 0.000 1.458 323 H CB 1.386 31.149 29.762 0.001 0.000 1.470 323 H HN 0.576 nan 8.280 nan 0.000 0.560 324 L N 3.771 125.075 121.223 0.135 0.000 2.042 324 L HA -0.204 4.153 4.340 0.028 0.000 0.210 324 L C 2.280 179.224 176.870 0.122 0.000 1.076 324 L CA 1.825 56.728 54.840 0.104 0.000 0.749 324 L CB -0.496 41.596 42.059 0.055 0.000 0.893 324 L HN 0.625 nan 8.230 nan 0.000 0.432 325 K N -0.817 119.633 120.400 0.083 0.000 2.063 325 K HA -0.211 4.125 4.320 0.028 0.000 0.208 325 K C 1.666 178.295 176.600 0.049 0.000 1.048 325 K CA 1.883 58.196 56.287 0.043 0.000 0.928 325 K CB -0.197 32.302 32.500 -0.002 0.000 0.713 325 K HN 0.423 nan 8.250 nan 0.000 0.442 326 D N -0.356 120.095 120.400 0.084 0.000 2.117 326 D HA -0.163 4.494 4.640 0.028 0.000 0.198 326 D C 1.750 178.087 176.300 0.061 0.000 0.982 326 D CA 0.907 54.949 54.000 0.069 0.000 0.828 326 D CB -0.426 40.435 40.800 0.102 0.000 0.967 326 D HN 0.286 nan 8.370 nan 0.000 0.464 327 Y N 1.661 121.932 120.300 -0.047 0.000 2.128 327 Y HA -0.166 4.402 4.550 0.029 0.000 0.284 327 Y C 2.171 177.988 175.900 -0.139 0.000 1.154 327 Y CA 1.380 59.419 58.100 -0.101 0.000 1.149 327 Y CB -0.475 37.916 38.460 -0.115 0.000 0.976 327 Y HN -0.106 nan 8.280 nan 0.000 0.505 328 L N -0.913 120.212 121.223 -0.164 0.000 2.056 328 L HA -0.217 4.139 4.340 0.028 0.000 0.207 328 L C 2.344 179.113 176.870 -0.168 0.000 1.078 328 L CA 1.786 56.449 54.840 -0.295 0.000 0.749 328 L CB -0.915 41.090 42.059 -0.090 0.000 0.901 328 L HN 0.215 nan 8.230 nan 0.000 0.433 329 T N -0.946 113.563 114.554 -0.076 0.000 2.746 329 T HA -0.216 4.151 4.350 0.028 0.000 0.267 329 T C 2.024 176.691 174.700 -0.056 0.000 1.039 329 T CA 1.394 63.473 62.100 -0.035 0.000 1.142 329 T CB -0.157 68.701 68.868 -0.016 0.000 0.866 329 T HN 0.132 nan 8.240 nan 0.000 0.444 330 R N 0.809 121.252 120.500 -0.094 0.000 2.075 330 R HA 0.070 4.427 4.340 0.028 0.000 0.232 330 R C 2.176 178.397 176.300 -0.131 0.000 1.126 330 R CA 0.991 57.034 56.100 -0.095 0.000 0.963 330 R CB -0.981 29.266 30.300 -0.088 0.000 0.858 330 R HN 0.282 nan 8.270 nan 0.000 0.435 331 L N 0.243 121.312 121.223 -0.258 0.000 2.083 331 L HA 0.048 4.405 4.340 0.028 0.000 0.209 331 L C 2.048 178.908 176.870 -0.018 0.000 1.083 331 L CA 2.125 56.807 54.840 -0.264 0.000 0.752 331 L CB -0.884 40.780 42.059 -0.659 0.000 0.899 331 L HN 0.280 nan 8.230 nan 0.000 0.433 332 A N -1.291 121.560 122.820 0.052 0.000 1.972 332 A HA -0.246 4.091 4.320 0.028 0.000 0.219 332 A C 2.163 179.780 177.584 0.055 0.000 1.169 332 A CA 1.721 53.846 52.037 0.147 0.000 0.635 332 A CB -0.493 18.590 19.000 0.137 0.000 0.810 332 A HN 0.656 nan 8.150 nan 0.000 0.446 333 Q N -0.926 118.883 119.800 0.015 0.000 2.297 333 Q HA -0.042 4.315 4.340 0.028 0.000 0.204 333 Q C 1.487 177.489 176.000 0.004 0.000 0.962 333 Q CA 1.051 56.857 55.803 0.004 0.000 0.879 333 Q CB 0.073 28.806 28.738 -0.008 0.000 0.947 333 Q HN 0.448 nan 8.270 nan 0.000 0.462 334 K N -0.361 120.040 120.400 0.002 0.000 2.365 334 K HA 0.161 4.498 4.320 0.028 0.000 0.195 334 K C 0.438 177.049 176.600 0.017 0.000 1.079 334 K CA 0.035 56.323 56.287 0.002 0.000 0.979 334 K CB 0.490 32.981 32.500 -0.014 0.000 0.929 334 K HN 0.007 nan 8.250 nan 0.000 0.523 335 V N 3.161 123.098 119.914 0.039 0.000 2.811 335 V HA 0.032 4.169 4.120 0.028 0.000 0.302 335 V C 0.332 176.442 176.094 0.027 0.000 1.063 335 V CA -0.054 62.280 62.300 0.057 0.000 1.088 335 V CB 1.103 33.007 31.823 0.135 0.000 0.982 335 V HN 0.450 nan 8.190 nan 0.000 0.485 336 S N 5.366 121.079 115.700 0.022 0.000 2.730 336 S HA 0.573 5.059 4.470 0.028 0.000 0.284 336 S C -0.352 174.243 174.600 -0.007 0.000 1.153 336 S CA -0.794 57.411 58.200 0.007 0.000 0.995 336 S CB 1.142 64.348 63.200 0.011 0.000 1.058 336 S HN 0.673 nan 8.310 nan 0.000 0.552 337 K N 1.225 121.619 120.400 -0.010 0.000 2.416 337 K HA 0.212 4.549 4.320 0.028 0.000 0.283 337 K C -0.529 176.064 176.600 -0.010 0.000 1.037 337 K CA 0.498 56.774 56.287 -0.018 0.000 0.995 337 K CB 0.227 32.726 32.500 -0.001 0.000 0.938 337 K HN 0.524 nan 8.250 nan 0.000 0.475 338 K N 3.091 123.477 120.400 -0.023 0.000 2.646 338 K HA 0.096 4.433 4.320 0.028 0.000 0.210 338 K C -0.093 176.507 176.600 0.000 0.000 1.020 338 K CA -0.234 56.050 56.287 -0.006 0.000 1.040 338 K CB 1.222 33.722 32.500 -0.001 0.000 1.253 338 K HN 0.732 nan 8.250 nan 0.000 0.532 339 T N -2.601 111.967 114.554 0.024 0.000 3.086 339 T HA 0.027 4.394 4.350 0.028 0.000 0.250 339 T C 1.785 176.529 174.700 0.073 0.000 1.074 339 T CA 0.458 62.589 62.100 0.051 0.000 0.988 339 T CB 0.293 69.199 68.868 0.063 0.000 0.988 339 T HN 0.461 nan 8.240 nan 0.000 0.530 340 G N 1.909 110.745 108.800 0.060 0.000 2.513 340 G HA2 -0.141 3.836 3.960 0.028 0.000 0.219 340 G HA3 -0.141 3.836 3.960 0.028 0.000 0.219 340 G C 1.790 176.764 174.900 0.124 0.000 1.160 340 G CA 0.885 46.031 45.100 0.077 0.000 0.767 340 G HN 0.725 nan 8.290 nan 0.000 0.571 341 A N -0.073 122.809 122.820 0.104 0.000 1.929 341 A HA 0.185 4.522 4.320 0.028 0.000 0.216 341 A C 2.344 180.070 177.584 0.236 0.000 1.176 341 A CA 1.576 53.703 52.037 0.151 0.000 0.628 341 A CB -0.352 18.696 19.000 0.081 0.000 0.816 341 A HN 0.412 nan 8.150 nan 0.000 0.444 342 L N 0.120 121.446 121.223 0.172 0.000 2.056 342 L HA -0.120 4.237 4.340 0.028 0.000 0.207 342 L C 1.563 178.576 176.870 0.237 0.000 1.078 342 L CA 2.238 57.196 54.840 0.197 0.000 0.749 342 L CB -0.618 41.534 42.059 0.156 0.000 0.901 342 L HN 0.321 nan 8.230 nan 0.000 0.433 343 D N -0.916 119.597 120.400 0.188 0.000 2.117 343 D HA -0.258 4.398 4.640 0.028 0.000 0.197 343 D C 2.032 178.435 176.300 0.172 0.000 0.987 343 D CA 1.560 55.652 54.000 0.154 0.000 0.829 343 D CB -0.373 40.501 40.800 0.124 0.000 0.961 343 D HN 0.396 nan 8.370 nan 0.000 0.460 344 F N 0.763 120.768 119.950 0.092 0.000 2.102 344 F HA -0.204 4.340 4.527 0.028 0.000 0.298 344 F C 2.142 178.001 175.800 0.100 0.000 1.105 344 F CA 1.039 59.087 58.000 0.080 0.000 1.239 344 F CB -0.470 38.578 39.000 0.080 0.000 0.991 344 F HN -0.107 nan 8.300 nan 0.000 0.474 345 F N 1.562 121.557 119.950 0.075 0.000 2.091 345 F HA -0.226 4.318 4.527 0.028 0.000 0.299 345 F C 2.271 178.005 175.800 -0.109 0.000 1.103 345 F CA 2.238 60.221 58.000 -0.028 0.000 1.228 345 F CB -0.662 38.374 39.000 0.060 0.000 0.984 345 F HN -0.114 nan 8.300 nan 0.000 0.477 346 K N 0.012 120.387 120.400 -0.040 0.000 2.147 346 K HA -0.163 4.173 4.320 0.028 0.000 0.205 346 K C 2.285 178.747 176.600 -0.230 0.000 1.049 346 K CA 1.563 57.763 56.287 -0.144 0.000 0.936 346 K CB -0.452 32.062 32.500 0.024 0.000 0.722 346 K HN 0.434 nan 8.250 nan 0.000 0.446 347 S N 0.927 116.489 115.700 -0.229 0.000 2.474 347 S HA -0.049 4.438 4.470 0.028 0.000 0.235 347 S C 1.853 176.262 174.600 -0.319 0.000 0.997 347 S CA 0.649 58.708 58.200 -0.234 0.000 0.949 347 S CB -0.354 62.725 63.200 -0.202 0.000 0.766 347 S HN 0.202 nan 8.310 nan 0.000 0.517 348 L N 0.882 121.833 121.223 -0.453 0.000 2.217 348 L HA 0.048 4.404 4.340 0.028 0.000 0.211 348 L C 0.516 177.204 176.870 -0.303 0.000 1.107 348 L CA 0.315 54.908 54.840 -0.412 0.000 0.783 348 L CB -0.889 40.880 42.059 -0.483 0.000 0.919 348 L HN 0.277 nan 8.230 nan 0.000 0.442 349 N N -0.177 118.336 118.700 -0.313 0.000 2.716 349 N HA -0.239 4.518 4.740 0.028 0.000 0.250 349 N C 0.932 176.318 175.510 -0.207 0.000 1.033 349 N CA 0.833 53.746 53.050 -0.227 0.000 0.727 349 N CB -0.767 37.630 38.487 -0.149 0.000 0.950 349 N HN 0.455 nan 8.380 nan 0.000 0.541 350 A N -0.263 122.389 122.820 -0.280 0.000 2.168 350 A HA 0.396 4.733 4.320 0.028 0.000 0.215 350 A C 1.505 179.018 177.584 -0.118 0.000 1.152 350 A CA 1.549 53.474 52.037 -0.188 0.000 0.716 350 A CB -0.210 18.671 19.000 -0.200 0.000 0.794 350 A HN 1.293 nan 8.150 nan 0.000 0.465 351 G N -0.659 108.066 108.800 -0.125 0.000 2.855 351 G HA2 -0.136 3.841 3.960 0.028 0.000 0.352 351 G HA3 -0.136 3.841 3.960 0.028 0.000 0.352 351 G C -0.512 174.387 174.900 -0.002 0.000 1.415 351 G CA -0.191 44.876 45.100 -0.055 0.000 0.871 351 G HN 0.417 nan 8.290 nan 0.000 0.543 352 E N -0.870 119.339 120.200 0.014 0.000 2.345 352 E HA 0.390 4.757 4.350 0.028 0.000 0.259 352 E C 0.675 177.262 176.600 -0.022 0.000 1.117 352 E CA -0.896 55.525 56.400 0.034 0.000 0.913 352 E CB 1.360 31.081 29.700 0.035 0.000 1.057 352 E HN 0.619 nan 8.360 nan 0.000 0.432 353 L N 1.875 123.046 121.223 -0.087 0.000 2.559 353 L HA -0.068 4.289 4.340 0.028 0.000 0.274 353 L C 0.502 177.308 176.870 -0.108 0.000 1.205 353 L CA 0.764 55.486 54.840 -0.198 0.000 0.907 353 L CB 0.066 41.847 42.059 -0.463 0.000 1.153 353 L HN 0.350 nan 8.230 nan 0.000 0.490 354 K N 5.873 126.221 120.400 -0.086 0.000 2.349 354 K HA 0.219 4.556 4.320 0.028 0.000 0.289 354 K C -0.757 175.814 176.600 -0.048 0.000 1.064 354 K CA -0.151 56.105 56.287 -0.052 0.000 0.947 354 K CB 0.319 32.795 32.500 -0.041 0.000 1.007 354 K HN 0.623 nan 8.250 nan 0.000 0.478 355 K N 2.408 122.788 120.400 -0.034 0.000 2.259 355 K HA 0.412 4.749 4.320 0.028 0.000 0.249 355 K C -0.741 175.850 176.600 -0.015 0.000 0.942 355 K CA -1.014 55.258 56.287 -0.024 0.000 0.816 355 K CB 1.957 34.446 32.500 -0.019 0.000 1.155 355 K HN 0.696 nan 8.250 nan 0.000 0.428 356 A N 1.445 124.258 122.820 -0.012 0.000 2.445 356 A HA 0.474 4.811 4.320 0.028 0.000 0.242 356 A C 0.006 177.587 177.584 -0.005 0.000 1.075 356 A CA -0.145 51.887 52.037 -0.008 0.000 0.777 356 A CB 0.209 19.205 19.000 -0.007 0.000 1.013 356 A HN 0.775 nan 8.150 nan 0.000 0.493 357 A N 2.883 125.701 122.820 -0.004 0.000 2.332 357 A HA 0.612 4.949 4.320 0.028 0.000 0.258 357 A C -2.188 175.396 177.584 0.000 0.000 1.087 357 A CA -1.354 50.683 52.037 -0.001 0.000 0.802 357 A CB -0.718 18.281 19.000 -0.001 0.000 1.042 357 A HN 0.678 nan 8.150 nan 0.000 0.489 358 P HA 0.224 nan 4.420 nan 0.000 0.261 358 P C -0.179 177.124 177.300 0.005 0.000 1.173 358 P CA 0.641 63.744 63.100 0.005 0.000 0.760 358 P CB 0.382 32.086 31.700 0.006 0.000 0.783 359 A N 2.853 125.677 122.820 0.007 0.000 2.332 359 A HA 0.234 4.571 4.320 0.028 0.000 0.258 359 A C 0.263 177.852 177.584 0.009 0.000 1.087 359 A CA -0.399 51.642 52.037 0.008 0.000 0.802 359 A CB 0.002 19.008 19.000 0.010 0.000 1.042 359 A HN 0.530 nan 8.150 nan 0.000 0.489 360 D N 1.031 121.436 120.400 0.008 0.000 2.434 360 D HA 0.168 4.825 4.640 0.028 0.000 0.252 360 D C -1.615 174.692 176.300 0.011 0.000 1.185 360 D CA -1.248 52.757 54.000 0.008 0.000 0.886 360 D CB 0.748 41.552 40.800 0.006 0.000 1.148 360 D HN 0.104 nan 8.370 nan 0.000 0.483 361 P HA -0.132 nan 4.420 nan 0.000 0.219 361 P C 0.873 178.181 177.300 0.015 0.000 1.146 361 P CA 1.145 64.255 63.100 0.016 0.000 0.808 361 P CB 0.094 31.803 31.700 0.015 0.000 0.779 362 S N -2.218 113.489 115.700 0.010 0.000 2.548 362 S HA 0.354 4.841 4.470 0.028 0.000 0.215 362 S C 1.064 175.668 174.600 0.007 0.000 0.976 362 S CA -0.205 58.000 58.200 0.008 0.000 0.908 362 S CB -0.578 62.625 63.200 0.004 0.000 0.781 362 S HN 0.101 nan 8.310 nan 0.000 0.519 363 A N 2.836 125.661 122.820 0.009 0.000 2.386 363 A HA 0.576 4.912 4.320 0.028 0.000 0.248 363 A C -2.530 175.062 177.584 0.013 0.000 1.082 363 A CA -1.516 50.526 52.037 0.009 0.000 0.789 363 A CB -0.533 18.473 19.000 0.009 0.000 1.025 363 A HN 0.229 nan 8.150 nan 0.000 0.490 364 P HA 0.104 nan 4.420 nan 0.000 0.264 364 P C -0.268 177.051 177.300 0.032 0.000 1.183 364 P CA -0.115 62.997 63.100 0.020 0.000 0.763 364 P CB 0.221 31.931 31.700 0.017 0.000 0.807 365 L N 5.606 126.858 121.223 0.048 0.000 2.490 365 L HA 0.169 4.526 4.340 0.028 0.000 0.274 365 L C -0.102 176.797 176.870 0.050 0.000 1.201 365 L CA 0.379 55.252 54.840 0.056 0.000 0.869 365 L CB 0.162 42.272 42.059 0.085 0.000 1.123 365 L HN 0.232 nan 8.230 nan 0.000 0.484 366 V N 1.971 121.906 119.914 0.035 0.000 3.074 366 V HA 0.531 4.667 4.120 0.028 0.000 0.314 366 V C 0.795 176.900 176.094 0.019 0.000 1.117 366 V CA -0.522 61.795 62.300 0.027 0.000 1.014 366 V CB 1.503 33.337 31.823 0.018 0.000 1.057 366 V HN 0.803 nan 8.190 nan 0.000 0.438 367 N N 1.965 120.674 118.700 0.015 0.000 2.061 367 N HA -0.182 4.575 4.740 0.028 0.000 0.193 367 N C 1.690 177.200 175.510 -0.000 0.000 1.030 367 N CA 2.676 55.731 53.050 0.008 0.000 0.856 367 N CB -0.289 38.203 38.487 0.010 0.000 1.023 367 N HN 1.014 nan 8.380 nan 0.000 0.424 368 A N -0.210 122.610 122.820 0.000 0.000 1.978 368 A HA -0.157 4.180 4.320 0.028 0.000 0.220 368 A C 2.124 179.702 177.584 -0.011 0.000 1.170 368 A CA 1.897 53.931 52.037 -0.004 0.000 0.636 368 A CB -0.717 18.281 19.000 -0.003 0.000 0.810 368 A HN 0.537 nan 8.150 nan 0.000 0.448 369 E N 0.258 120.455 120.200 -0.006 0.000 2.112 369 E HA -0.059 4.307 4.350 0.028 0.000 0.190 369 E C 1.658 178.245 176.600 -0.023 0.000 0.979 369 E CA 1.038 57.434 56.400 -0.007 0.000 0.814 369 E CB -0.381 29.323 29.700 0.007 0.000 0.762 369 E HN 0.638 nan 8.360 nan 0.000 0.460 370 I N 0.604 121.156 120.570 -0.029 0.000 2.142 370 I HA -0.273 3.914 4.170 0.028 0.000 0.240 370 I C 2.424 178.457 176.117 -0.140 0.000 1.078 370 I CA 1.191 62.445 61.300 -0.077 0.000 1.343 370 I CB -0.521 37.442 38.000 -0.061 0.000 1.046 370 I HN 0.206 nan 8.210 nan 0.000 0.405 371 A N 0.690 123.454 122.820 -0.092 0.000 1.940 371 A HA -0.261 4.076 4.320 0.028 0.000 0.219 371 A C 2.460 179.995 177.584 -0.082 0.000 1.176 371 A CA 1.857 53.841 52.037 -0.088 0.000 0.631 371 A CB -0.707 18.275 19.000 -0.030 0.000 0.814 371 A HN 0.375 nan 8.150 nan 0.000 0.446 372 R N -0.496 119.970 120.500 -0.056 0.000 2.073 372 R HA -0.163 4.193 4.340 0.028 0.000 0.234 372 R C 2.307 178.577 176.300 -0.050 0.000 1.134 372 R CA 1.833 57.910 56.100 -0.038 0.000 0.952 372 R CB -0.303 29.985 30.300 -0.020 0.000 0.850 372 R HN 0.696 nan 8.270 nan 0.000 0.433 373 Q N -0.329 119.430 119.800 -0.067 0.000 2.172 373 Q HA -0.079 4.278 4.340 0.028 0.000 0.200 373 Q C 2.151 178.087 176.000 -0.108 0.000 0.964 373 Q CA 1.327 57.096 55.803 -0.057 0.000 0.855 373 Q CB 0.225 28.948 28.738 -0.024 0.000 0.918 373 Q HN 0.223 nan 8.270 nan 0.000 0.444 374 V N 1.185 120.951 119.914 -0.245 0.000 2.358 374 V HA -0.251 3.886 4.120 0.028 0.000 0.246 374 V C 2.156 178.173 176.094 -0.129 0.000 1.047 374 V CA 1.986 64.092 62.300 -0.324 0.000 1.035 374 V CB -0.504 30.994 31.823 -0.543 0.000 0.658 374 V HN 0.399 nan 8.190 nan 0.000 0.452 375 E N 0.432 120.576 120.200 -0.092 0.000 2.160 375 E HA -0.230 4.137 4.350 0.028 0.000 0.195 375 E C 2.092 178.684 176.600 -0.013 0.000 0.991 375 E CA 1.301 57.680 56.400 -0.035 0.000 0.810 375 E CB -0.208 29.482 29.700 -0.017 0.000 0.742 375 E HN 0.586 nan 8.360 nan 0.000 0.466 376 A N 0.380 123.192 122.820 -0.013 0.000 2.172 376 A HA -0.035 4.302 4.320 0.028 0.000 0.216 376 A C 1.906 179.501 177.584 0.019 0.000 1.154 376 A CA 0.516 52.557 52.037 0.007 0.000 0.701 376 A CB -0.226 18.780 19.000 0.009 0.000 0.789 376 A HN 0.296 nan 8.150 nan 0.000 0.465 377 L N -0.319 120.917 121.223 0.022 0.000 2.558 377 L HA 0.172 4.528 4.340 0.028 0.000 0.225 377 L C 0.035 176.929 176.870 0.039 0.000 1.128 377 L CA -0.217 54.651 54.840 0.047 0.000 0.868 377 L CB -0.178 41.934 42.059 0.088 0.000 1.006 377 L HN 0.278 nan 8.230 nan 0.000 0.454 378 L N 1.016 122.253 121.223 0.024 0.000 2.410 378 L HA 0.153 4.510 4.340 0.028 0.000 0.273 378 L C 0.601 177.483 176.870 0.020 0.000 1.144 378 L CA 0.103 54.955 54.840 0.020 0.000 0.863 378 L CB 0.499 42.565 42.059 0.011 0.000 1.140 378 L HN 0.175 nan 8.230 nan 0.000 0.463 379 T N -0.311 114.256 114.554 0.021 0.000 2.888 379 T HA 0.436 4.802 4.350 0.028 0.000 0.288 379 T C -2.269 172.438 174.700 0.012 0.000 1.063 379 T CA -1.968 60.142 62.100 0.017 0.000 1.010 379 T CB 2.033 70.913 68.868 0.021 0.000 1.214 379 T HN 0.181 nan 8.240 nan 0.000 0.533 380 P HA 0.051 nan 4.420 nan 0.000 0.226 380 P C 0.634 177.938 177.300 0.008 0.000 1.146 380 P CA 0.819 63.920 63.100 0.002 0.000 0.773 380 P CB -0.040 31.658 31.700 -0.003 0.000 0.772 381 N N -1.698 117.011 118.700 0.015 0.000 2.204 381 N HA 0.040 4.796 4.740 0.028 0.000 0.219 381 N C -0.535 174.998 175.510 0.038 0.000 1.151 381 N CA 0.096 53.160 53.050 0.023 0.000 0.867 381 N CB 0.093 38.591 38.487 0.020 0.000 1.043 381 N HN -0.154 nan 8.380 nan 0.000 0.516 382 T N -0.409 114.165 114.554 0.034 0.000 2.902 382 T HA 0.448 4.815 4.350 0.028 0.000 0.283 382 T C -0.503 174.216 174.700 0.031 0.000 1.009 382 T CA -0.245 61.878 62.100 0.038 0.000 1.051 382 T CB 1.680 70.566 68.868 0.030 0.000 0.999 382 T HN -0.086 nan 8.240 nan 0.000 0.474 383 T N 2.155 116.723 114.554 0.024 0.000 2.848 383 T HA 0.516 4.883 4.350 0.028 0.000 0.285 383 T C -0.542 174.100 174.700 -0.098 0.000 0.995 383 T CA -0.507 61.560 62.100 -0.055 0.000 0.970 383 T CB 1.265 70.066 68.868 -0.112 0.000 0.976 383 T HN 0.324 nan 8.240 nan 0.000 0.441 384 V N 4.895 124.737 119.914 -0.121 0.000 2.398 384 V HA 0.441 4.578 4.120 0.028 0.000 0.286 384 V C -0.219 175.776 176.094 -0.164 0.000 1.026 384 V CA -0.916 61.320 62.300 -0.106 0.000 0.868 384 V CB 1.319 33.092 31.823 -0.083 0.000 0.982 384 V HN 0.725 nan 8.190 nan 0.000 0.443 385 I N 4.482 124.973 120.570 -0.132 0.000 2.304 385 I HA 0.544 4.731 4.170 0.028 0.000 0.291 385 I C 0.484 176.609 176.117 0.014 0.000 1.018 385 I CA -0.168 61.068 61.300 -0.107 0.000 1.260 385 I CB 1.223 39.102 38.000 -0.202 0.000 1.390 385 I HN 0.681 nan 8.210 nan 0.000 0.475 386 A N 5.803 128.684 122.820 0.102 0.000 2.273 386 A HA 0.530 4.867 4.320 0.028 0.000 0.315 386 A C -0.020 177.849 177.584 0.475 0.000 1.256 386 A CA -0.580 51.577 52.037 0.200 0.000 0.851 386 A CB 0.768 19.805 19.000 0.062 0.000 1.172 386 A HN 0.660 nan 8.150 nan 0.000 0.508 387 E N 1.681 122.087 120.200 0.343 0.000 2.373 387 E HA 0.341 4.708 4.350 0.028 0.000 0.263 387 E C 0.105 176.704 176.600 -0.001 0.000 1.073 387 E CA 0.157 56.740 56.400 0.305 0.000 0.894 387 E CB 0.533 30.334 29.700 0.167 0.000 1.008 387 E HN 0.545 nan 8.360 nan 0.000 0.420 388 T N 2.674 117.093 114.554 -0.224 0.000 2.871 388 T HA 0.471 4.838 4.350 0.028 0.000 0.296 388 T C 0.212 174.478 174.700 -0.722 0.000 0.998 388 T CA 0.940 62.395 62.100 -1.076 0.000 1.162 388 T CB -0.116 68.374 68.868 -0.630 0.000 0.947 388 T HN 0.711 nan 8.240 nan 0.000 0.536 389 G N 3.081 111.374 108.800 -0.845 0.000 2.325 389 G HA2 -0.017 3.960 3.960 0.028 0.000 0.285 389 G HA3 -0.017 3.960 3.960 0.028 0.000 0.285 389 G C 0.190 175.047 174.900 -0.071 0.000 1.303 389 G CA -0.142 44.774 45.100 -0.306 0.000 0.970 389 G HN 0.503 nan 8.290 nan 0.000 0.490 390 D N -0.160 120.277 120.400 0.061 0.000 2.263 390 D HA -0.006 4.651 4.640 0.028 0.000 0.208 390 D C 2.455 178.902 176.300 0.245 0.000 0.971 390 D CA 1.882 56.005 54.000 0.205 0.000 0.867 390 D CB -0.022 40.835 40.800 0.096 0.000 0.929 390 D HN 0.271 nan 8.370 nan 0.000 0.492 391 S N -0.411 115.373 115.700 0.140 0.000 2.400 391 S HA -0.162 4.325 4.470 0.028 0.000 0.232 391 S C 1.460 176.245 174.600 0.308 0.000 1.025 391 S CA 0.606 58.908 58.200 0.171 0.000 0.993 391 S CB -0.293 62.979 63.200 0.121 0.000 0.808 391 S HN 0.461 nan 8.310 nan 0.000 0.478 392 W N 1.221 122.581 121.300 0.099 0.000 2.318 392 W HA -0.075 4.601 4.660 0.026 0.000 0.313 392 W C 1.829 178.291 176.519 -0.094 0.000 1.221 392 W CA 0.506 57.834 57.345 -0.028 0.000 1.266 392 W CB -1.382 27.791 29.460 -0.477 0.000 1.150 392 W HN 0.349 nan 8.180 nan 0.000 0.496 393 F N 0.137 120.276 119.950 0.315 0.000 2.293 393 F HA -0.128 4.416 4.527 0.028 0.000 0.297 393 F C 2.194 178.095 175.800 0.169 0.000 1.089 393 F CA 1.092 59.213 58.000 0.203 0.000 1.377 393 F CB -1.083 37.956 39.000 0.065 0.000 1.051 393 F HN -0.181 nan 8.300 nan 0.000 0.511 394 N N 0.685 119.562 118.700 0.295 0.000 2.084 394 N HA -0.141 4.616 4.740 0.028 0.000 0.190 394 N C 2.101 177.702 175.510 0.152 0.000 1.030 394 N CA 1.446 54.602 53.050 0.176 0.000 0.849 394 N CB -0.718 37.834 38.487 0.109 0.000 1.012 394 N HN 0.266 nan 8.380 nan 0.000 0.423 395 A N 0.860 123.780 122.820 0.167 0.000 1.933 395 A HA -0.190 4.146 4.320 0.028 0.000 0.218 395 A C 2.207 179.890 177.584 0.166 0.000 1.175 395 A CA 1.544 53.651 52.037 0.117 0.000 0.628 395 A CB -0.618 18.414 19.000 0.053 0.000 0.814 395 A HN 0.249 nan 8.150 nan 0.000 0.444 396 Q N -0.002 119.951 119.800 0.255 0.000 2.226 396 Q HA -0.080 4.277 4.340 0.028 0.000 0.204 396 Q C 1.926 178.127 176.000 0.334 0.000 0.975 396 Q CA 1.598 57.564 55.803 0.273 0.000 0.866 396 Q CB -0.263 28.639 28.738 0.273 0.000 0.915 396 Q HN 0.677 nan 8.270 nan 0.000 0.440 397 R N -1.042 119.623 120.500 0.274 0.000 2.299 397 R HA 0.159 4.515 4.340 0.028 0.000 0.197 397 R C 0.073 176.486 176.300 0.188 0.000 0.971 397 R CA 0.035 56.269 56.100 0.223 0.000 1.030 397 R CB 0.060 30.430 30.300 0.117 0.000 0.932 397 R HN 0.283 nan 8.270 nan 0.000 0.477 398 M N 1.324 121.026 119.600 0.171 0.000 2.185 398 M HA 0.121 4.617 4.480 0.028 0.000 0.357 398 M C 0.047 176.437 176.300 0.149 0.000 1.260 398 M CA -0.438 54.932 55.300 0.116 0.000 1.124 398 M CB 1.135 33.771 32.600 0.060 0.000 1.600 398 M HN -0.347 nan 8.290 nan 0.000 0.467 399 K N 4.095 124.571 120.400 0.127 0.000 2.312 399 K HA 0.384 4.721 4.320 0.028 0.000 0.287 399 K C -1.399 175.247 176.600 0.077 0.000 1.062 399 K CA 0.130 56.498 56.287 0.134 0.000 0.934 399 K CB 0.216 32.790 32.500 0.123 0.000 1.027 399 K HN 0.617 nan 8.250 nan 0.000 0.478 400 L N 7.711 128.969 121.223 0.058 0.000 2.275 400 L HA 0.432 4.789 4.340 0.028 0.000 0.288 400 L C -1.965 174.908 176.870 0.004 0.000 1.046 400 L CA -2.389 52.460 54.840 0.015 0.000 0.805 400 L CB 1.379 43.430 42.059 -0.014 0.000 1.193 400 L HN 0.572 nan 8.230 nan 0.000 0.426 401 P HA 0.074 nan 4.420 nan 0.000 0.271 401 P C -0.813 176.473 177.300 -0.024 0.000 1.218 401 P CA -0.472 62.625 63.100 -0.004 0.000 0.780 401 P CB 0.368 32.069 31.700 0.002 0.000 0.901 402 N N 1.377 120.055 118.700 -0.036 0.000 2.357 402 N HA 0.229 4.986 4.740 0.028 0.000 0.257 402 N C 1.600 177.085 175.510 -0.041 0.000 1.250 402 N CA 1.808 54.823 53.050 -0.057 0.000 0.862 402 N CB -0.283 38.163 38.487 -0.068 0.000 1.066 402 N HN 0.753 nan 8.380 nan 0.000 0.468 403 G N 0.096 108.870 108.800 -0.043 0.000 2.313 403 G HA2 -0.201 3.776 3.960 0.028 0.000 0.215 403 G HA3 -0.201 3.776 3.960 0.028 0.000 0.215 403 G C 0.241 175.136 174.900 -0.008 0.000 1.023 403 G CA 0.081 45.166 45.100 -0.025 0.000 0.626 403 G HN 0.905 nan 8.290 nan 0.000 0.503 404 A N 1.180 123.994 122.820 -0.010 0.000 2.462 404 A HA 0.671 5.008 4.320 0.028 0.000 0.243 404 A C 0.608 178.190 177.584 -0.003 0.000 1.076 404 A CA 0.441 52.477 52.037 -0.003 0.000 0.773 404 A CB 0.309 19.306 19.000 -0.006 0.000 1.010 404 A HN 0.442 nan 8.150 nan 0.000 0.493 405 R N 0.832 121.332 120.500 -0.000 0.000 2.803 405 R HA 0.652 5.009 4.340 0.028 0.000 0.276 405 R C -1.388 174.872 176.300 -0.066 0.000 0.978 405 R CA -0.747 55.353 56.100 0.000 0.000 0.939 405 R CB 1.640 31.967 30.300 0.045 0.000 1.179 405 R HN 0.428 nan 8.270 nan 0.000 0.472 406 V N 2.209 122.064 119.914 -0.098 0.000 2.540 406 V HA 0.329 4.466 4.120 0.028 0.000 0.302 406 V C -0.330 175.628 176.094 -0.227 0.000 1.035 406 V CA -0.824 61.339 62.300 -0.229 0.000 0.873 406 V CB 2.276 33.894 31.823 -0.342 0.000 0.992 406 V HN 0.535 nan 8.190 nan 0.000 0.428 407 E N 3.350 123.412 120.200 -0.230 0.000 2.158 407 E HA 0.510 4.877 4.350 0.028 0.000 0.271 407 E C -1.624 174.976 176.600 0.000 0.000 0.911 407 E CA -0.412 55.964 56.400 -0.041 0.000 0.767 407 E CB 2.262 31.990 29.700 0.047 0.000 1.120 407 E HN 0.536 nan 8.360 nan 0.000 0.405 408 Y N 0.393 120.709 120.300 0.028 0.000 2.524 408 Y HA 0.229 4.796 4.550 0.028 0.000 0.344 408 Y C 0.629 176.300 175.900 -0.381 0.000 1.012 408 Y CA -0.877 57.139 58.100 -0.140 0.000 1.068 408 Y CB 1.800 40.056 38.460 -0.340 0.000 1.249 408 Y HN 0.402 nan 8.280 nan 0.000 0.468 409 E N 3.316 123.272 120.200 -0.407 0.000 3.588 409 E HA 0.211 4.578 4.350 0.028 0.000 0.213 409 E C -0.033 176.464 176.600 -0.173 0.000 1.168 409 E CA 0.070 56.102 56.400 -0.613 0.000 1.254 409 E CB 0.170 28.933 29.700 -1.562 0.000 1.302 409 E HN 0.842 nan 8.360 nan 0.000 0.429 410 M N 0.560 120.020 119.600 -0.233 0.000 2.506 410 M HA -0.053 4.444 4.480 0.028 0.000 0.260 410 M C 1.894 178.141 176.300 -0.089 0.000 1.104 410 M CA 0.723 55.834 55.300 -0.315 0.000 1.112 410 M CB 0.343 32.429 32.600 -0.857 0.000 1.401 410 M HN 0.176 nan 8.290 nan 0.000 0.473 411 Q N 0.102 119.882 119.800 -0.033 0.000 2.061 411 Q HA -0.111 4.246 4.340 0.028 0.000 0.195 411 Q C 1.797 177.908 176.000 0.186 0.000 0.967 411 Q CA 1.594 57.428 55.803 0.051 0.000 0.829 411 Q CB -0.305 28.469 28.738 0.059 0.000 0.900 411 Q HN 0.625 nan 8.270 nan 0.000 0.450 412 W N 0.425 121.718 121.300 -0.012 0.000 2.444 412 W HA 0.073 4.746 4.660 0.021 0.000 0.308 412 W C 0.566 177.135 176.519 0.083 0.000 1.183 412 W CA 1.474 58.848 57.345 0.048 0.000 1.340 412 W CB -0.041 29.464 29.460 0.076 0.000 1.138 412 W HN 0.386 nan 8.180 nan 0.000 0.510 413 G N 1.218 110.145 108.800 0.211 0.000 2.272 413 G HA2 -0.321 3.656 3.960 0.028 0.000 0.280 413 G HA3 -0.321 3.656 3.960 0.028 0.000 0.280 413 G C -0.219 174.719 174.900 0.063 0.000 1.067 413 G CA 0.338 45.551 45.100 0.190 0.000 0.902 413 G HN 0.565 nan 8.290 nan 0.000 0.500 414 H N 0.875 119.955 119.070 0.016 0.000 2.846 414 H HA 0.396 4.968 4.556 0.026 0.000 0.278 414 H C 1.421 176.781 175.328 0.052 0.000 1.117 414 H CA -0.202 55.870 56.048 0.040 0.000 1.406 414 H CB 0.084 30.028 29.762 0.303 0.000 1.445 414 H HN 0.632 nan 8.280 nan 0.000 0.469 415 I N 1.284 121.872 120.570 0.030 0.000 2.752 415 I HA 0.224 4.410 4.170 0.028 0.000 0.287 415 I C 1.226 177.491 176.117 0.247 0.000 1.188 415 I CA 0.809 62.152 61.300 0.072 0.000 1.427 415 I CB 0.581 38.529 38.000 -0.088 0.000 1.365 415 I HN 0.742 nan 8.210 nan 0.000 0.585 416 G N 4.568 113.482 108.800 0.191 0.000 2.258 416 G HA2 -0.343 3.633 3.960 0.028 0.000 0.233 416 G HA3 -0.343 3.633 3.960 0.028 0.000 0.233 416 G C 0.445 175.383 174.900 0.063 0.000 1.006 416 G CA 0.497 45.695 45.100 0.163 0.000 0.620 416 G HN 1.105 nan 8.290 nan 0.000 0.511 417 W N 2.842 123.994 121.300 -0.247 0.000 2.305 417 W HA -0.183 4.493 4.660 0.028 0.000 0.308 417 W C 2.578 178.932 176.519 -0.275 0.000 1.226 417 W CA 3.651 60.581 57.345 -0.692 0.000 1.253 417 W CB -0.535 28.528 29.460 -0.662 0.000 1.146 417 W HN 0.735 nan 8.180 nan 0.000 0.507 418 S N -0.239 115.308 115.700 -0.255 0.000 2.399 418 S HA -0.198 4.289 4.470 0.028 0.000 0.231 418 S C 1.678 176.036 174.600 -0.403 0.000 1.022 418 S CA 1.625 59.475 58.200 -0.584 0.000 0.983 418 S CB -1.024 62.125 63.200 -0.085 0.000 0.803 418 S HN 0.193 nan 8.310 nan 0.000 0.480 419 V N 3.299 123.101 119.914 -0.186 0.000 2.244 419 V HA -0.019 4.118 4.120 0.028 0.000 0.244 419 V C -0.357 175.687 176.094 -0.083 0.000 1.042 419 V CA 1.676 63.928 62.300 -0.080 0.000 1.006 419 V CB -1.790 30.002 31.823 -0.053 0.000 0.641 419 V HN 0.377 nan 8.190 nan 0.000 0.446 420 P HA -0.110 nan 4.420 nan 0.000 0.218 420 P C 1.592 178.860 177.300 -0.054 0.000 1.149 420 P CA 2.028 65.134 63.100 0.011 0.000 0.817 420 P CB -0.149 31.598 31.700 0.079 0.000 0.785 421 A N 0.221 122.838 122.820 -0.338 0.000 1.930 421 A HA -0.040 4.297 4.320 0.028 0.000 0.217 421 A C 2.363 179.805 177.584 -0.236 0.000 1.175 421 A CA 1.942 53.724 52.037 -0.426 0.000 0.627 421 A CB -1.476 16.818 19.000 -1.177 0.000 0.815 421 A HN 0.208 nan 8.150 nan 0.000 0.443 422 A N -1.042 121.641 122.820 -0.227 0.000 1.930 422 A HA 0.031 4.368 4.320 0.028 0.000 0.217 422 A C 1.985 179.622 177.584 0.090 0.000 1.175 422 A CA 1.490 53.486 52.037 -0.067 0.000 0.627 422 A CB -0.669 18.296 19.000 -0.060 0.000 0.815 422 A HN 0.681 nan 8.150 nan 0.000 0.443 423 F N 1.330 121.255 119.950 -0.041 0.000 2.051 423 F HA -0.044 4.499 4.527 0.027 0.000 0.296 423 F C 2.294 178.131 175.800 0.062 0.000 1.122 423 F CA 1.670 59.676 58.000 0.010 0.000 1.201 423 F CB -0.946 38.046 39.000 -0.014 0.000 0.978 423 F HN 0.177 nan 8.300 nan 0.000 0.472 424 G N -1.275 107.402 108.800 -0.204 0.000 2.440 424 G HA2 -0.365 3.612 3.960 0.028 0.000 0.218 424 G HA3 -0.365 3.612 3.960 0.028 0.000 0.218 424 G C 1.664 176.570 174.900 0.010 0.000 1.154 424 G CA 1.002 45.974 45.100 -0.213 0.000 0.767 424 G HN 0.526 nan 8.290 nan 0.000 0.552 425 Y N 1.882 122.128 120.300 -0.089 0.000 2.181 425 Y HA -0.024 4.543 4.550 0.027 0.000 0.288 425 Y C 2.948 178.788 175.900 -0.101 0.000 1.146 425 Y CA 1.566 59.616 58.100 -0.084 0.000 1.164 425 Y CB -0.236 38.182 38.460 -0.069 0.000 0.982 425 Y HN 0.250 nan 8.280 nan 0.000 0.515 426 A N -1.045 121.826 122.820 0.084 0.000 1.969 426 A HA -0.115 4.221 4.320 0.028 0.000 0.218 426 A C 2.292 179.809 177.584 -0.111 0.000 1.169 426 A CA 1.673 53.722 52.037 0.020 0.000 0.635 426 A CB -1.185 17.860 19.000 0.074 0.000 0.810 426 A HN 0.330 nan 8.150 nan 0.000 0.445 427 V N -0.254 119.537 119.914 -0.204 0.000 2.343 427 V HA -0.167 3.970 4.120 0.028 0.000 0.247 427 V C 2.718 178.652 176.094 -0.267 0.000 1.051 427 V CA 1.995 64.120 62.300 -0.291 0.000 1.036 427 V CB -1.165 30.403 31.823 -0.425 0.000 0.654 427 V HN 0.607 nan 8.190 nan 0.000 0.451 428 G N -0.911 107.725 108.800 -0.273 0.000 2.464 428 G HA2 0.179 4.156 3.960 0.028 0.000 0.217 428 G HA3 0.179 4.156 3.960 0.028 0.000 0.217 428 G C 0.752 175.398 174.900 -0.423 0.000 1.138 428 G CA 0.751 45.537 45.100 -0.523 0.000 0.793 428 G HN 0.672 nan 8.290 nan 0.000 0.539 429 A N 0.304 122.886 122.820 -0.397 0.000 3.258 429 A HA 0.653 4.990 4.320 0.028 0.000 0.318 429 A C -1.619 175.885 177.584 -0.133 0.000 0.990 429 A CA -0.812 51.044 52.037 -0.301 0.000 0.885 429 A CB 1.066 19.782 19.000 -0.473 0.000 1.090 429 A HN 0.046 nan 8.150 nan 0.000 0.479 430 P HA -0.164 nan 4.420 nan 0.000 0.222 430 P C 1.390 178.685 177.300 -0.009 0.000 1.147 430 P CA 1.208 64.290 63.100 -0.031 0.000 0.790 430 P CB 0.280 31.968 31.700 -0.019 0.000 0.780 431 E N 0.532 120.720 120.200 -0.020 0.000 2.347 431 E HA -0.105 4.261 4.350 0.028 0.000 0.196 431 E C 0.551 177.158 176.600 0.011 0.000 1.008 431 E CA 0.632 57.028 56.400 -0.006 0.000 0.852 431 E CB -0.311 29.379 29.700 -0.016 0.000 0.783 431 E HN 0.273 nan 8.360 nan 0.000 0.505 432 R N 0.913 121.427 120.500 0.023 0.000 2.528 432 R HA 0.334 4.690 4.340 0.028 0.000 0.271 432 R C 0.352 176.691 176.300 0.064 0.000 1.056 432 R CA -0.717 55.415 56.100 0.054 0.000 1.117 432 R CB 1.025 31.387 30.300 0.102 0.000 1.085 432 R HN -0.022 nan 8.270 nan 0.000 0.530 433 R N 2.236 122.773 120.500 0.062 0.000 2.248 433 R HA 0.054 4.411 4.340 0.028 0.000 0.337 433 R C -0.939 175.405 176.300 0.074 0.000 1.085 433 R CA -0.131 56.006 56.100 0.062 0.000 0.934 433 R CB 0.156 30.489 30.300 0.054 0.000 1.034 433 R HN 0.478 nan 8.270 nan 0.000 0.465 434 N N 6.040 124.787 118.700 0.079 0.000 2.437 434 N HA 0.284 5.041 4.740 0.028 0.000 0.259 434 N C -0.696 174.849 175.510 0.059 0.000 0.983 434 N CA -0.237 52.860 53.050 0.078 0.000 0.937 434 N CB 1.532 40.092 38.487 0.122 0.000 1.122 434 N HN 0.522 nan 8.380 nan 0.000 0.499 435 I N 2.249 122.847 120.570 0.048 0.000 2.433 435 I HA 0.298 4.485 4.170 0.028 0.000 0.292 435 I C -0.605 175.552 176.117 0.066 0.000 1.001 435 I CA -1.019 60.338 61.300 0.095 0.000 1.119 435 I CB 2.002 40.097 38.000 0.157 0.000 1.289 435 I HN 0.159 nan 8.210 nan 0.000 0.438 436 L N 7.591 128.870 121.223 0.093 0.000 2.305 436 L HA 0.555 4.912 4.340 0.028 0.000 0.284 436 L C -0.915 176.043 176.870 0.146 0.000 1.013 436 L CA -0.158 54.724 54.840 0.070 0.000 0.819 436 L CB 1.356 43.442 42.059 0.045 0.000 1.227 436 L HN 0.553 nan 8.230 nan 0.000 0.417 437 M N 6.157 125.831 119.600 0.123 0.000 2.066 437 M HA 0.493 4.989 4.480 0.028 0.000 0.340 437 M C -1.290 175.071 176.300 0.101 0.000 1.053 437 M CA -0.520 54.859 55.300 0.133 0.000 0.983 437 M CB 1.623 34.279 32.600 0.093 0.000 1.520 437 M HN 0.515 nan 8.290 nan 0.000 0.428 438 V N 3.444 123.404 119.914 0.076 0.000 2.760 438 V HA 0.834 4.971 4.120 0.028 0.000 0.309 438 V C -0.147 175.943 176.094 -0.007 0.000 1.077 438 V CA -0.341 61.997 62.300 0.063 0.000 0.910 438 V CB 2.251 34.147 31.823 0.122 0.000 1.008 438 V HN 0.894 nan 8.190 nan 0.000 0.424 439 G N 3.375 112.171 108.800 -0.006 0.000 2.539 439 G HA2 0.308 4.285 3.960 0.028 0.000 0.258 439 G HA3 0.308 4.285 3.960 0.028 0.000 0.258 439 G C 0.690 175.531 174.900 -0.098 0.000 1.202 439 G CA 0.399 45.467 45.100 -0.054 0.000 0.851 439 G HN 0.946 nan 8.290 nan 0.000 0.556 440 D N 0.667 120.945 120.400 -0.202 0.000 2.149 440 D HA -0.129 4.528 4.640 0.028 0.000 0.198 440 D C 2.178 178.428 176.300 -0.084 0.000 0.990 440 D CA 1.464 55.263 54.000 -0.336 0.000 0.839 440 D CB -0.908 39.664 40.800 -0.380 0.000 0.948 440 D HN 0.475 nan 8.370 nan 0.000 0.460 441 G N 0.348 109.181 108.800 0.056 0.000 2.421 441 G HA2 -0.248 3.729 3.960 0.028 0.000 0.216 441 G HA3 -0.248 3.729 3.960 0.028 0.000 0.216 441 G C 1.884 176.886 174.900 0.169 0.000 1.171 441 G CA 1.212 46.462 45.100 0.250 0.000 0.775 441 G HN 0.373 nan 8.290 nan 0.000 0.543 442 S N 0.258 116.014 115.700 0.094 0.000 2.368 442 S HA -0.069 4.418 4.470 0.028 0.000 0.224 442 S C 1.887 176.557 174.600 0.117 0.000 1.029 442 S CA 0.908 59.155 58.200 0.079 0.000 0.988 442 S CB -0.370 62.868 63.200 0.063 0.000 0.838 442 S HN 0.377 nan 8.310 nan 0.000 0.462 443 F N 2.549 122.475 119.950 -0.041 0.000 2.161 443 F HA -0.151 4.394 4.527 0.029 0.000 0.300 443 F C 2.335 178.150 175.800 0.026 0.000 1.089 443 F CA 1.402 59.389 58.000 -0.023 0.000 1.282 443 F CB -0.361 38.568 39.000 -0.118 0.000 1.010 443 F HN 0.199 nan 8.300 nan 0.000 0.485 444 Q N -0.315 119.489 119.800 0.006 0.000 2.291 444 Q HA -0.168 4.188 4.340 0.028 0.000 0.205 444 Q C 2.048 178.119 176.000 0.117 0.000 0.970 444 Q CA 1.171 56.928 55.803 -0.076 0.000 0.876 444 Q CB -0.210 28.398 28.738 -0.215 0.000 0.935 444 Q HN 0.415 nan 8.270 nan 0.000 0.455 445 L N -0.293 120.987 121.223 0.095 0.000 2.156 445 L HA -0.081 4.276 4.340 0.028 0.000 0.208 445 L C 1.812 178.758 176.870 0.126 0.000 1.095 445 L CA 1.613 56.539 54.840 0.145 0.000 0.770 445 L CB 0.119 42.283 42.059 0.175 0.000 0.914 445 L HN 0.256 nan 8.230 nan 0.000 0.439 446 T N -6.013 108.559 114.554 0.030 0.000 3.475 446 T HA 0.361 4.728 4.350 0.028 0.000 0.310 446 T C 1.368 175.979 174.700 -0.148 0.000 0.963 446 T CA 0.204 62.301 62.100 -0.004 0.000 0.985 446 T CB 0.099 68.985 68.868 0.030 0.000 1.198 446 T HN 0.032 nan 8.240 nan 0.000 0.508 447 A N 2.635 125.309 122.820 -0.242 0.000 1.986 447 A HA -0.189 4.148 4.320 0.028 0.000 0.220 447 A C 2.466 179.967 177.584 -0.139 0.000 1.171 447 A CA 1.751 53.492 52.037 -0.492 0.000 0.640 447 A CB -0.572 18.262 19.000 -0.277 0.000 0.811 447 A HN 0.697 nan 8.150 nan 0.000 0.451 448 Q N -0.448 119.317 119.800 -0.058 0.000 2.364 448 Q HA -0.201 4.156 4.340 0.028 0.000 0.209 448 Q C 1.202 176.950 176.000 -0.420 0.000 0.977 448 Q CA 1.732 57.405 55.803 -0.216 0.000 0.885 448 Q CB -0.444 28.237 28.738 -0.095 0.000 0.941 448 Q HN 0.591 nan 8.270 nan 0.000 0.464 449 E N 0.887 120.909 120.200 -0.297 0.000 2.347 449 E HA -0.026 4.341 4.350 0.028 0.000 0.196 449 E C 1.882 178.236 176.600 -0.410 0.000 1.008 449 E CA 0.357 56.536 56.400 -0.368 0.000 0.852 449 E CB -0.070 29.475 29.700 -0.259 0.000 0.783 449 E HN 0.214 nan 8.360 nan 0.000 0.505 450 V N 0.370 120.114 119.914 -0.284 0.000 2.469 450 V HA -0.294 3.843 4.120 0.028 0.000 0.251 450 V C 2.197 178.117 176.094 -0.290 0.000 1.064 450 V CA 1.693 63.919 62.300 -0.124 0.000 1.066 450 V CB -0.769 31.198 31.823 0.240 0.000 0.667 450 V HN 0.377 nan 8.190 nan 0.000 0.461 451 A N -0.737 121.640 122.820 -0.738 0.000 1.972 451 A HA -0.209 4.127 4.320 0.028 0.000 0.219 451 A C 2.178 179.564 177.584 -0.331 0.000 1.169 451 A CA 1.355 53.021 52.037 -0.619 0.000 0.635 451 A CB -0.311 18.160 19.000 -0.883 0.000 0.810 451 A HN 0.540 nan 8.150 nan 0.000 0.446 452 Q N -0.617 118.914 119.800 -0.447 0.000 2.172 452 Q HA -0.025 4.331 4.340 0.028 0.000 0.200 452 Q C 2.074 177.936 176.000 -0.229 0.000 0.964 452 Q CA 1.299 56.825 55.803 -0.461 0.000 0.855 452 Q CB -0.503 27.615 28.738 -1.034 0.000 0.918 452 Q HN 0.789 nan 8.270 nan 0.000 0.444 453 M N -0.144 119.350 119.600 -0.176 0.000 2.117 453 M HA -0.145 4.352 4.480 0.028 0.000 0.262 453 M C 2.230 178.589 176.300 0.098 0.000 1.065 453 M CA 1.106 56.481 55.300 0.125 0.000 1.114 453 M CB -0.343 32.336 32.600 0.132 0.000 1.361 453 M HN -0.038 nan 8.290 nan 0.000 0.408 454 V N 0.185 120.125 119.914 0.043 0.000 2.295 454 V HA -0.277 3.860 4.120 0.028 0.000 0.246 454 V C 2.418 178.552 176.094 0.066 0.000 1.049 454 V CA 1.979 64.320 62.300 0.069 0.000 1.024 454 V CB -0.830 31.044 31.823 0.085 0.000 0.648 454 V HN 0.473 nan 8.190 nan 0.000 0.447 455 R N -0.093 120.432 120.500 0.042 0.000 2.091 455 R HA -0.125 4.232 4.340 0.028 0.000 0.238 455 R C 1.937 178.290 176.300 0.087 0.000 1.136 455 R CA 1.629 57.763 56.100 0.057 0.000 0.959 455 R CB -0.175 30.146 30.300 0.035 0.000 0.856 455 R HN 0.452 nan 8.270 nan 0.000 0.437 456 L N 0.737 122.036 121.223 0.126 0.000 2.611 456 L HA 0.143 4.500 4.340 0.028 0.000 0.229 456 L C 0.057 176.993 176.870 0.109 0.000 1.137 456 L CA 0.184 55.105 54.840 0.136 0.000 0.901 456 L CB 0.067 42.249 42.059 0.206 0.000 1.098 456 L HN 0.201 nan 8.230 nan 0.000 0.456 457 K N 0.877 121.336 120.400 0.099 0.000 3.096 457 K HA -0.161 4.176 4.320 0.028 0.000 0.266 457 K C -0.494 176.155 176.600 0.081 0.000 1.043 457 K CA 0.396 56.732 56.287 0.080 0.000 0.758 457 K CB -1.842 30.696 32.500 0.064 0.000 1.260 457 K HN 0.303 nan 8.250 nan 0.000 0.481 458 L N 0.893 122.179 121.223 0.104 0.000 2.265 458 L HA 0.254 4.611 4.340 0.028 0.000 0.288 458 L C -1.696 175.226 176.870 0.086 0.000 1.058 458 L CA -2.193 52.706 54.840 0.099 0.000 0.809 458 L CB 0.695 42.838 42.059 0.140 0.000 1.179 458 L HN -0.145 nan 8.230 nan 0.000 0.429 459 P HA 0.066 nan 4.420 nan 0.000 0.220 459 P C -0.191 177.139 177.300 0.050 0.000 1.778 459 P CA -0.065 63.066 63.100 0.052 0.000 0.912 459 P CB -0.084 31.642 31.700 0.042 0.000 1.861 460 V N 1.740 121.693 119.914 0.064 0.000 2.572 460 V HA 0.060 4.197 4.120 0.028 0.000 0.291 460 V C 0.939 177.041 176.094 0.014 0.000 1.039 460 V CA 0.002 62.336 62.300 0.056 0.000 1.055 460 V CB 0.461 32.335 31.823 0.085 0.000 0.969 460 V HN 0.194 nan 8.190 nan 0.000 0.482 461 I N 6.275 126.837 120.570 -0.013 0.000 2.304 461 I HA 0.389 4.575 4.170 0.028 0.000 0.291 461 I C -0.204 175.812 176.117 -0.167 0.000 1.018 461 I CA -0.022 61.205 61.300 -0.120 0.000 1.260 461 I CB 0.848 38.774 38.000 -0.124 0.000 1.390 461 I HN 0.430 nan 8.210 nan 0.000 0.475 462 I N 6.640 127.069 120.570 -0.235 0.000 2.330 462 I HA 0.272 4.459 4.170 0.028 0.000 0.289 462 I C -0.742 175.178 176.117 -0.328 0.000 1.001 462 I CA -0.420 60.782 61.300 -0.164 0.000 1.193 462 I CB 0.778 38.745 38.000 -0.054 0.000 1.345 462 I HN 0.359 nan 8.210 nan 0.000 0.461 463 F N 6.795 126.720 119.950 -0.042 0.000 2.368 463 F HA 0.248 4.792 4.527 0.028 0.000 0.362 463 F C 0.131 175.856 175.800 -0.124 0.000 1.137 463 F CA -0.482 57.478 58.000 -0.067 0.000 1.161 463 F CB 0.747 39.724 39.000 -0.037 0.000 1.265 463 F HN 0.302 nan 8.300 nan 0.000 0.530 464 L N 6.232 127.396 121.223 -0.098 0.000 2.261 464 L HA 0.374 4.731 4.340 0.028 0.000 0.289 464 L C -0.599 176.125 176.870 -0.243 0.000 1.059 464 L CA -0.358 54.313 54.840 -0.282 0.000 0.816 464 L CB 0.317 42.047 42.059 -0.548 0.000 1.191 464 L HN 0.351 nan 8.230 nan 0.000 0.431 465 I N 5.350 125.807 120.570 -0.188 0.000 2.281 465 I HA 0.136 4.323 4.170 0.028 0.000 0.293 465 I C 0.465 176.446 176.117 -0.227 0.000 1.085 465 I CA -0.205 61.006 61.300 -0.149 0.000 1.257 465 I CB 0.050 38.012 38.000 -0.063 0.000 1.430 465 I HN 0.526 nan 8.210 nan 0.000 0.489 466 N N 6.285 124.802 118.700 -0.305 0.000 2.645 466 N HA 0.082 4.838 4.740 0.028 0.000 0.233 466 N C 0.419 175.852 175.510 -0.129 0.000 1.058 466 N CA -0.219 52.643 53.050 -0.312 0.000 0.942 466 N CB 0.208 38.373 38.487 -0.536 0.000 1.210 466 N HN 0.449 nan 8.380 nan 0.000 0.512 467 N N 2.815 121.496 118.700 -0.031 0.000 2.238 467 N HA 0.002 4.759 4.740 0.028 0.000 0.222 467 N C -0.520 175.077 175.510 0.145 0.000 1.133 467 N CA -0.559 52.524 53.050 0.056 0.000 0.854 467 N CB -0.532 37.974 38.487 0.032 0.000 1.041 467 N HN 0.332 nan 8.380 nan 0.000 0.510 468 Y N 0.462 120.745 120.300 -0.029 0.000 3.057 468 Y HA -0.002 4.565 4.550 0.028 0.000 0.192 468 Y C 0.366 176.234 175.900 -0.053 0.000 1.448 468 Y CA 0.772 58.863 58.100 -0.015 0.000 1.065 468 Y CB -1.306 37.166 38.460 0.021 0.000 1.369 468 Y HN 0.721 nan 8.280 nan 0.000 0.460 469 G N 0.641 109.380 108.800 -0.101 0.000 2.346 469 G HA2 0.160 4.137 3.960 0.028 0.000 0.294 469 G HA3 0.160 4.137 3.960 0.028 0.000 0.294 469 G C -1.509 173.359 174.900 -0.054 0.000 1.294 469 G CA -0.635 44.310 45.100 -0.259 0.000 0.962 469 G HN 0.309 nan 8.290 nan 0.000 0.508 470 Y N 1.901 122.168 120.300 -0.055 0.000 2.714 470 Y HA 0.448 5.016 4.550 0.029 0.000 0.333 470 Y C 2.131 178.020 175.900 -0.017 0.000 1.220 470 Y CA -0.126 57.959 58.100 -0.026 0.000 1.513 470 Y CB 0.177 38.640 38.460 0.004 0.000 1.435 470 Y HN 0.485 nan 8.280 nan 0.000 0.489 471 T N 1.784 116.410 114.554 0.120 0.000 2.821 471 T HA -0.178 4.189 4.350 0.028 0.000 0.267 471 T C 2.154 176.891 174.700 0.062 0.000 1.046 471 T CA 1.204 63.342 62.100 0.062 0.000 1.139 471 T CB -0.091 68.796 68.868 0.031 0.000 0.871 471 T HN 0.671 nan 8.240 nan 0.000 0.454 472 I N 0.925 121.532 120.570 0.060 0.000 2.361 472 I HA -0.161 4.026 4.170 0.028 0.000 0.251 472 I C 2.291 178.470 176.117 0.103 0.000 1.133 472 I CA 1.433 62.777 61.300 0.073 0.000 1.413 472 I CB -0.011 38.014 38.000 0.042 0.000 1.073 472 I HN 0.156 nan 8.210 nan 0.000 0.424 473 E N 0.224 120.489 120.200 0.107 0.000 2.107 473 E HA -0.132 4.235 4.350 0.028 0.000 0.191 473 E C 2.339 179.026 176.600 0.144 0.000 0.982 473 E CA 1.003 57.487 56.400 0.140 0.000 0.809 473 E CB -0.384 29.427 29.700 0.185 0.000 0.756 473 E HN 0.393 nan 8.360 nan 0.000 0.459 474 V N 1.647 121.629 119.914 0.112 0.000 2.332 474 V HA -0.252 3.885 4.120 0.028 0.000 0.248 474 V C 2.184 178.298 176.094 0.033 0.000 1.055 474 V CA 1.472 63.804 62.300 0.053 0.000 1.038 474 V CB -0.405 31.429 31.823 0.018 0.000 0.651 474 V HN 0.278 nan 8.190 nan 0.000 0.450 475 M N -1.549 118.074 119.600 0.039 0.000 2.595 475 M HA 0.146 4.643 4.480 0.028 0.000 0.248 475 M C 1.737 178.053 176.300 0.027 0.000 1.119 475 M CA 1.215 56.526 55.300 0.018 0.000 1.079 475 M CB -0.633 31.969 32.600 0.004 0.000 1.472 475 M HN 0.338 nan 8.290 nan 0.000 0.501 476 I N -1.884 118.724 120.570 0.062 0.000 2.900 476 I HA -0.036 4.151 4.170 0.028 0.000 0.251 476 I C 0.347 176.548 176.117 0.140 0.000 1.102 476 I CA 0.433 61.769 61.300 0.060 0.000 1.457 476 I CB 0.340 38.379 38.000 0.064 0.000 1.285 476 I HN 0.215 nan 8.210 nan 0.000 0.459 477 H N 0.339 119.444 119.070 0.058 0.000 3.240 477 H HA 0.256 4.830 4.556 0.029 0.000 0.329 477 H C -1.505 173.914 175.328 0.152 0.000 1.024 477 H CA -0.770 55.329 56.048 0.085 0.000 1.487 477 H CB 0.832 30.646 29.762 0.086 0.000 1.909 477 H HN -0.057 nan 8.280 nan 0.000 0.465 478 D N 2.773 123.044 120.400 -0.214 0.000 2.264 478 D HA 0.612 5.268 4.640 0.028 0.000 0.249 478 D C 0.305 176.443 176.300 -0.269 0.000 1.070 478 D CA 0.926 54.837 54.000 -0.148 0.000 0.912 478 D CB 1.331 42.042 40.800 -0.149 0.000 1.193 478 D HN 0.824 nan 8.370 nan 0.000 0.427 479 G N 1.748 110.275 108.800 -0.455 0.000 2.495 479 G HA2 0.293 4.270 3.960 0.028 0.000 0.294 479 G HA3 0.293 4.270 3.960 0.028 0.000 0.294 479 G C -2.389 171.976 174.900 -0.891 0.000 1.397 479 G CA -0.844 43.746 45.100 -0.850 0.000 0.790 479 G HN 0.276 nan 8.290 nan 0.000 0.486 480 P HA 0.003 nan 4.420 nan 0.000 0.226 480 P C 1.098 178.221 177.300 -0.295 0.000 1.153 480 P CA 0.921 63.797 63.100 -0.374 0.000 0.777 480 P CB -0.151 31.428 31.700 -0.202 0.000 0.794 481 Y N -1.980 118.325 120.300 0.008 0.000 2.632 481 Y HA 0.117 4.684 4.550 0.030 0.000 0.301 481 Y C 1.314 177.238 175.900 0.041 0.000 1.172 481 Y CA 0.015 58.137 58.100 0.037 0.000 1.328 481 Y CB -1.892 36.617 38.460 0.082 0.000 1.016 481 Y HN -0.079 nan 8.280 nan 0.000 0.529 482 N N 0.162 118.866 118.700 0.006 0.000 2.280 482 N HA -0.010 4.747 4.740 0.028 0.000 0.192 482 N C -0.676 174.627 175.510 -0.344 0.000 1.109 482 N CA 0.155 53.203 53.050 -0.004 0.000 0.855 482 N CB -0.068 38.456 38.487 0.062 0.000 0.974 482 N HN 0.330 nan 8.380 nan 0.000 0.482 483 N N 1.241 119.741 118.700 -0.332 0.000 2.456 483 N HA 0.333 5.090 4.740 0.028 0.000 0.288 483 N C 0.185 175.450 175.510 -0.407 0.000 1.059 483 N CA -0.300 52.503 53.050 -0.412 0.000 0.946 483 N CB 1.877 40.176 38.487 -0.314 0.000 1.150 483 N HN 0.172 nan 8.380 nan 0.000 0.479 484 I N -2.480 117.827 120.570 -0.439 0.000 3.108 484 I HA 0.606 4.793 4.170 0.028 0.000 0.312 484 I C -0.157 175.938 176.117 -0.038 0.000 1.095 484 I CA -1.248 59.904 61.300 -0.247 0.000 1.000 484 I CB 1.809 39.637 38.000 -0.287 0.000 1.229 484 I HN 0.058 nan 8.210 nan 0.000 0.454 485 K N 2.883 123.335 120.400 0.088 0.000 2.312 485 K HA 0.211 4.548 4.320 0.028 0.000 0.287 485 K C -0.483 176.278 176.600 0.269 0.000 1.062 485 K CA 0.100 56.520 56.287 0.222 0.000 0.934 485 K CB 0.375 33.026 32.500 0.252 0.000 1.027 485 K HN 0.685 nan 8.250 nan 0.000 0.478 486 N N 3.461 122.365 118.700 0.339 0.000 2.508 486 N HA 0.206 4.963 4.740 0.028 0.000 0.264 486 N C -1.176 174.475 175.510 0.236 0.000 1.216 486 N CA -0.110 53.076 53.050 0.227 0.000 0.943 486 N CB 0.376 38.899 38.487 0.059 0.000 1.113 486 N HN 0.350 nan 8.380 nan 0.000 0.447 487 W N 0.396 121.475 121.300 -0.367 0.000 2.736 487 W HA 0.253 4.929 4.660 0.027 0.000 0.355 487 W C -0.186 175.970 176.519 -0.604 0.000 1.102 487 W CA -0.905 56.100 57.345 -0.567 0.000 1.164 487 W CB 0.033 29.011 29.460 -0.803 0.000 1.422 487 W HN 0.447 nan 8.180 nan 0.000 0.572 488 D N 0.793 121.133 120.400 -0.100 0.000 2.508 488 D HA 0.038 4.694 4.640 0.028 0.000 0.224 488 D C 0.672 176.958 176.300 -0.023 0.000 1.171 488 D CA 0.001 53.982 54.000 -0.032 0.000 1.006 488 D CB -0.242 40.555 40.800 -0.004 0.000 1.073 488 D HN 0.183 nan 8.370 nan 0.000 0.513 489 Y N 2.059 122.445 120.300 0.143 0.000 2.224 489 Y HA -0.151 4.416 4.550 0.028 0.000 0.289 489 Y C 2.517 178.431 175.900 0.023 0.000 1.146 489 Y CA 1.228 59.383 58.100 0.091 0.000 1.182 489 Y CB -0.529 37.869 38.460 -0.105 0.000 0.983 489 Y HN 0.480 nan 8.280 nan 0.000 0.524 490 A N 0.283 123.200 122.820 0.161 0.000 1.933 490 A HA -0.127 4.210 4.320 0.028 0.000 0.218 490 A C 2.557 180.173 177.584 0.054 0.000 1.175 490 A CA 1.753 53.846 52.037 0.093 0.000 0.628 490 A CB -1.476 17.588 19.000 0.105 0.000 0.814 490 A HN 0.474 nan 8.150 nan 0.000 0.444 491 G N -0.733 108.089 108.800 0.037 0.000 2.509 491 G HA2 -0.034 3.942 3.960 0.028 0.000 0.218 491 G HA3 -0.034 3.942 3.960 0.028 0.000 0.218 491 G C 1.339 176.196 174.900 -0.072 0.000 1.124 491 G CA 0.938 46.030 45.100 -0.014 0.000 0.776 491 G HN 0.435 nan 8.290 nan 0.000 0.547 492 L N 0.554 121.732 121.223 -0.075 0.000 2.191 492 L HA 0.030 4.387 4.340 0.028 0.000 0.212 492 L C 2.648 179.317 176.870 -0.335 0.000 1.103 492 L CA 1.298 55.986 54.840 -0.252 0.000 0.769 492 L CB -0.273 41.727 42.059 -0.099 0.000 0.908 492 L HN 0.112 nan 8.230 nan 0.000 0.438 493 M N -1.184 118.369 119.600 -0.078 0.000 2.086 493 M HA -0.151 4.346 4.480 0.028 0.000 0.261 493 M C 2.058 178.369 176.300 0.018 0.000 1.067 493 M CA 1.380 56.700 55.300 0.034 0.000 1.116 493 M CB -1.321 31.330 32.600 0.086 0.000 1.348 493 M HN 0.199 nan 8.290 nan 0.000 0.407 494 E N 0.449 120.640 120.200 -0.015 0.000 2.153 494 E HA -0.079 4.288 4.350 0.028 0.000 0.194 494 E C 2.390 178.977 176.600 -0.021 0.000 0.988 494 E CA 0.818 57.216 56.400 -0.004 0.000 0.811 494 E CB -0.516 29.178 29.700 -0.010 0.000 0.746 494 E HN 0.322 nan 8.360 nan 0.000 0.466 495 V N 0.870 120.719 119.914 -0.108 0.000 2.295 495 V HA -0.239 3.898 4.120 0.028 0.000 0.246 495 V C 2.057 178.160 176.094 0.014 0.000 1.049 495 V CA 1.588 63.813 62.300 -0.125 0.000 1.024 495 V CB -0.550 31.098 31.823 -0.292 0.000 0.648 495 V HN 0.129 nan 8.190 nan 0.000 0.447 496 F N 0.631 120.606 119.950 0.041 0.000 2.325 496 F HA -0.025 4.519 4.527 0.028 0.000 0.299 496 F C 2.282 178.105 175.800 0.039 0.000 1.090 496 F CA 0.553 58.577 58.000 0.041 0.000 1.392 496 F CB -1.197 37.835 39.000 0.053 0.000 1.053 496 F HN 0.221 nan 8.300 nan 0.000 0.521 497 N N 0.365 119.188 118.700 0.205 0.000 2.084 497 N HA -0.094 4.663 4.740 0.028 0.000 0.190 497 N C 1.882 177.455 175.510 0.106 0.000 1.030 497 N CA 1.507 54.635 53.050 0.131 0.000 0.849 497 N CB -0.818 37.722 38.487 0.089 0.000 1.012 497 N HN 0.289 nan 8.380 nan 0.000 0.423 498 G N 1.133 109.986 108.800 0.089 0.000 2.249 498 G HA2 -0.291 3.686 3.960 0.028 0.000 0.273 498 G HA3 -0.291 3.686 3.960 0.028 0.000 0.273 498 G C -0.324 174.603 174.900 0.046 0.000 1.036 498 G CA -0.031 45.111 45.100 0.069 0.000 0.824 498 G HN 0.292 nan 8.290 nan 0.000 0.504 499 N N 0.430 119.152 118.700 0.037 0.000 2.454 499 N HA 0.379 5.136 4.740 0.028 0.000 0.260 499 N C 1.443 176.956 175.510 0.005 0.000 1.218 499 N CA 1.656 54.720 53.050 0.024 0.000 0.904 499 N CB 0.907 39.408 38.487 0.024 0.000 1.065 499 N HN 1.364 nan 8.380 nan 0.000 0.462 500 G N 0.286 109.084 108.800 -0.004 0.000 2.175 500 G HA2 -0.196 3.781 3.960 0.028 0.000 0.244 500 G HA3 -0.196 3.781 3.960 0.028 0.000 0.244 500 G C 0.563 175.429 174.900 -0.058 0.000 0.982 500 G CA 0.228 45.312 45.100 -0.026 0.000 0.641 500 G HN 0.864 nan 8.290 nan 0.000 0.527 501 G N -1.062 107.710 108.800 -0.047 0.000 2.773 501 G HA2 0.510 4.487 3.960 0.028 0.000 0.186 501 G HA3 0.510 4.487 3.960 0.028 0.000 0.186 501 G C 0.686 175.525 174.900 -0.102 0.000 1.411 501 G CA 0.175 45.212 45.100 -0.106 0.000 1.054 501 G HN 0.126 nan 8.290 nan 0.000 0.579 502 Y N 0.805 121.115 120.300 0.017 0.000 2.352 502 Y HA 0.078 4.645 4.550 0.028 0.000 0.292 502 Y C 1.375 177.286 175.900 0.018 0.000 1.136 502 Y CA 1.319 59.428 58.100 0.015 0.000 1.227 502 Y CB 0.057 38.525 38.460 0.013 0.000 0.991 502 Y HN 0.596 nan 8.280 nan 0.000 0.545 503 D N -2.265 118.234 120.400 0.165 0.000 3.224 503 D HA 0.531 5.187 4.640 0.028 0.000 0.268 503 D C -0.512 175.834 176.300 0.077 0.000 1.310 503 D CA -0.309 53.756 54.000 0.108 0.000 1.035 503 D CB 0.686 41.547 40.800 0.102 0.000 1.293 503 D HN -0.080 nan 8.370 nan 0.000 0.630 504 S N -2.470 113.272 115.700 0.071 0.000 2.688 504 S HA 0.848 5.335 4.470 0.028 0.000 0.275 504 S C -0.493 174.147 174.600 0.067 0.000 1.175 504 S CA -0.470 57.767 58.200 0.062 0.000 0.818 504 S CB 1.497 64.727 63.200 0.049 0.000 1.157 504 S HN 1.267 nan 8.310 nan 0.000 0.482 505 G N -1.175 107.664 108.800 0.066 0.000 2.646 505 G HA2 0.727 4.703 3.960 0.028 0.000 0.291 505 G HA3 0.727 4.703 3.960 0.028 0.000 0.291 505 G C -0.575 174.364 174.900 0.064 0.000 1.445 505 G CA -0.248 44.896 45.100 0.072 0.000 0.814 505 G HN 1.553 nan 8.290 nan 0.000 0.495 506 A N -0.026 122.833 122.820 0.065 0.000 2.631 506 A HA 0.708 5.044 4.320 0.028 0.000 0.294 506 A C 1.004 178.624 177.584 0.060 0.000 1.156 506 A CA 0.524 52.594 52.037 0.055 0.000 0.963 506 A CB -0.149 18.880 19.000 0.047 0.000 1.202 506 A HN 1.542 nan 8.150 nan 0.000 0.523 507 G N 0.205 109.052 108.800 0.077 0.000 2.569 507 G HA2 0.463 4.440 3.960 0.028 0.000 0.249 507 G HA3 0.463 4.440 3.960 0.028 0.000 0.249 507 G C -0.266 174.673 174.900 0.065 0.000 1.216 507 G CA -0.221 44.929 45.100 0.084 0.000 0.845 507 G HN 0.371 nan 8.290 nan 0.000 0.568 508 K N -0.063 120.369 120.400 0.053 0.000 2.427 508 K HA 0.569 4.906 4.320 0.028 0.000 0.252 508 K C -0.364 176.255 176.600 0.031 0.000 0.931 508 K CA -0.723 55.585 56.287 0.036 0.000 0.793 508 K CB 2.618 35.131 32.500 0.022 0.000 1.211 508 K HN 0.607 nan 8.250 nan 0.000 0.426 509 G N 2.865 111.683 108.800 0.030 0.000 2.544 509 G HA2 0.661 4.638 3.960 0.028 0.000 0.313 509 G HA3 0.661 4.638 3.960 0.028 0.000 0.313 509 G C -0.974 173.943 174.900 0.028 0.000 1.316 509 G CA -0.525 44.592 45.100 0.028 0.000 0.944 509 G HN 0.359 nan 8.290 nan 0.000 0.489 510 L N 1.126 122.364 121.223 0.025 0.000 2.371 510 L HA 0.595 4.952 4.340 0.028 0.000 0.262 510 L C -0.136 176.781 176.870 0.078 0.000 1.006 510 L CA -1.070 53.795 54.840 0.042 0.000 0.818 510 L CB 2.771 44.845 42.059 0.025 0.000 1.354 510 L HN 0.323 nan 8.230 nan 0.000 0.415 511 K N 1.278 121.747 120.400 0.115 0.000 2.164 511 K HA 0.820 5.157 4.320 0.028 0.000 0.258 511 K C -0.864 175.843 176.600 0.178 0.000 0.951 511 K CA -0.620 55.794 56.287 0.212 0.000 0.844 511 K CB 2.220 34.865 32.500 0.241 0.000 1.099 511 K HN 0.666 nan 8.250 nan 0.000 0.435 512 A N 2.610 125.583 122.820 0.256 0.000 2.357 512 A HA 0.312 4.649 4.320 0.028 0.000 0.295 512 A C -0.243 177.485 177.584 0.241 0.000 1.121 512 A CA -0.692 51.459 52.037 0.190 0.000 0.742 512 A CB 0.641 19.735 19.000 0.157 0.000 1.181 512 A HN 0.832 nan 8.150 nan 0.000 0.454 513 K N 0.797 121.269 120.400 0.120 0.000 2.402 513 K HA 0.165 4.501 4.320 0.028 0.000 0.204 513 K C 0.309 176.942 176.600 0.055 0.000 1.056 513 K CA 0.836 57.168 56.287 0.076 0.000 1.069 513 K CB 0.958 33.410 32.500 -0.080 0.000 0.888 513 K HN 0.831 nan 8.250 nan 0.000 0.546 514 T N -4.623 109.964 114.554 0.055 0.000 2.841 514 T HA 0.353 4.720 4.350 0.028 0.000 0.296 514 T C 1.125 175.855 174.700 0.050 0.000 1.166 514 T CA -0.546 61.580 62.100 0.042 0.000 1.007 514 T CB 1.680 70.563 68.868 0.024 0.000 1.253 514 T HN -0.019 nan 8.240 nan 0.000 0.511 515 G N 0.033 108.857 108.800 0.040 0.000 2.422 515 G HA2 0.088 4.065 3.960 0.028 0.000 0.218 515 G HA3 0.088 4.065 3.960 0.028 0.000 0.218 515 G C 1.438 176.363 174.900 0.041 0.000 1.146 515 G CA 0.815 45.938 45.100 0.039 0.000 0.769 515 G HN 1.131 nan 8.290 nan 0.000 0.547 516 G N 0.534 109.354 108.800 0.034 0.000 2.402 516 G HA2 -0.106 3.870 3.960 0.028 0.000 0.216 516 G HA3 -0.106 3.870 3.960 0.028 0.000 0.216 516 G C 1.600 176.523 174.900 0.039 0.000 1.162 516 G CA 0.976 46.095 45.100 0.032 0.000 0.777 516 G HN 0.518 nan 8.290 nan 0.000 0.539 517 E N -0.375 119.850 120.200 0.042 0.000 2.106 517 E HA -0.075 4.291 4.350 0.028 0.000 0.192 517 E C 2.359 178.999 176.600 0.068 0.000 0.984 517 E CA 0.541 56.971 56.400 0.049 0.000 0.806 517 E CB -0.123 29.607 29.700 0.049 0.000 0.750 517 E HN 0.337 nan 8.360 nan 0.000 0.458 518 L N 1.009 122.281 121.223 0.081 0.000 2.056 518 L HA -0.089 4.268 4.340 0.028 0.000 0.207 518 L C 2.204 179.137 176.870 0.105 0.000 1.078 518 L CA 1.978 56.884 54.840 0.110 0.000 0.749 518 L CB -0.690 41.437 42.059 0.114 0.000 0.901 518 L HN 0.018 nan 8.230 nan 0.000 0.433 519 A N -0.873 121.993 122.820 0.078 0.000 1.902 519 A HA -0.177 4.160 4.320 0.028 0.000 0.217 519 A C 2.145 179.766 177.584 0.062 0.000 1.181 519 A CA 1.679 53.758 52.037 0.069 0.000 0.623 519 A CB -0.553 18.476 19.000 0.049 0.000 0.818 519 A HN 0.526 nan 8.150 nan 0.000 0.443 520 E N -0.087 120.144 120.200 0.052 0.000 2.072 520 E HA -0.098 4.268 4.350 0.028 0.000 0.191 520 E C 2.353 178.979 176.600 0.043 0.000 0.985 520 E CA 1.225 57.651 56.400 0.042 0.000 0.801 520 E CB -0.641 29.079 29.700 0.035 0.000 0.750 520 E HN 0.572 nan 8.360 nan 0.000 0.452 521 A N 1.161 124.012 122.820 0.051 0.000 1.933 521 A HA -0.130 4.207 4.320 0.028 0.000 0.218 521 A C 2.334 179.937 177.584 0.033 0.000 1.175 521 A CA 1.003 53.063 52.037 0.039 0.000 0.628 521 A CB -0.621 18.407 19.000 0.047 0.000 0.814 521 A HN 0.175 nan 8.150 nan 0.000 0.444 522 I N -0.881 119.732 120.570 0.071 0.000 2.286 522 I HA -0.266 3.921 4.170 0.028 0.000 0.248 522 I C 2.438 178.589 176.117 0.057 0.000 1.115 522 I CA 1.560 62.912 61.300 0.087 0.000 1.392 522 I CB -0.211 37.885 38.000 0.161 0.000 1.065 522 I HN 0.205 nan 8.210 nan 0.000 0.418 523 K N 0.436 120.866 120.400 0.050 0.000 2.032 523 K HA -0.155 4.182 4.320 0.028 0.000 0.209 523 K C 1.934 178.551 176.600 0.027 0.000 1.048 523 K CA 1.299 57.608 56.287 0.037 0.000 0.927 523 K CB -0.501 32.019 32.500 0.033 0.000 0.712 523 K HN 0.105 nan 8.250 nan 0.000 0.441 524 V N 0.757 120.684 119.914 0.022 0.000 2.343 524 V HA -0.261 3.876 4.120 0.028 0.000 0.247 524 V C 2.208 178.306 176.094 0.006 0.000 1.051 524 V CA 1.995 64.303 62.300 0.014 0.000 1.036 524 V CB -0.795 31.036 31.823 0.012 0.000 0.654 524 V HN 0.401 nan 8.190 nan 0.000 0.451 525 A N -0.137 122.680 122.820 -0.006 0.000 1.883 525 A HA -0.176 4.161 4.320 0.028 0.000 0.217 525 A C 2.212 179.795 177.584 -0.002 0.000 1.186 525 A CA 1.874 53.896 52.037 -0.025 0.000 0.624 525 A CB -0.589 18.363 19.000 -0.080 0.000 0.822 525 A HN 0.505 nan 8.150 nan 0.000 0.444 526 L N -1.005 120.227 121.223 0.016 0.000 2.131 526 L HA -0.168 4.189 4.340 0.028 0.000 0.210 526 L C 2.883 179.767 176.870 0.023 0.000 1.092 526 L CA 0.980 55.836 54.840 0.026 0.000 0.759 526 L CB -0.389 41.692 42.059 0.037 0.000 0.903 526 L HN 0.450 nan 8.230 nan 0.000 0.435 527 A N -0.825 122.008 122.820 0.020 0.000 2.123 527 A HA -0.073 4.264 4.320 0.028 0.000 0.214 527 A C 1.072 178.667 177.584 0.019 0.000 1.152 527 A CA 0.251 52.300 52.037 0.020 0.000 0.728 527 A CB -0.435 18.577 19.000 0.019 0.000 0.814 527 A HN 0.355 nan 8.150 nan 0.000 0.464 528 N N 1.204 119.915 118.700 0.018 0.000 2.448 528 N HA 0.093 4.850 4.740 0.028 0.000 0.250 528 N C 0.821 176.345 175.510 0.024 0.000 1.136 528 N CA 0.831 53.893 53.050 0.020 0.000 0.953 528 N CB 0.619 39.117 38.487 0.017 0.000 1.251 528 N HN 0.255 nan 8.380 nan 0.000 0.502 529 T N -1.325 113.245 114.554 0.026 0.000 3.086 529 T HA 0.169 4.536 4.350 0.028 0.000 0.250 529 T C 0.267 174.988 174.700 0.034 0.000 1.074 529 T CA 0.058 62.176 62.100 0.029 0.000 0.988 529 T CB 0.190 69.074 68.868 0.026 0.000 0.988 529 T HN 0.234 nan 8.240 nan 0.000 0.530 530 D N 0.971 121.393 120.400 0.036 0.000 2.398 530 D HA 0.370 5.027 4.640 0.028 0.000 0.210 530 D C 0.971 177.301 176.300 0.050 0.000 1.094 530 D CA 0.268 54.292 54.000 0.041 0.000 0.839 530 D CB 1.106 41.929 40.800 0.037 0.000 0.963 530 D HN 0.641 nan 8.370 nan 0.000 0.506 531 G N 0.868 109.699 108.800 0.052 0.000 2.349 531 G HA2 0.330 4.307 3.960 0.028 0.000 0.294 531 G HA3 0.330 4.307 3.960 0.028 0.000 0.294 531 G C -3.164 171.772 174.900 0.060 0.000 1.380 531 G CA -0.892 44.246 45.100 0.064 0.000 0.811 531 G HN -0.287 nan 8.290 nan 0.000 0.519 532 P HA 0.445 nan 4.420 nan 0.000 0.274 532 P C -0.541 176.784 177.300 0.043 0.000 1.237 532 P CA 0.017 63.156 63.100 0.065 0.000 0.793 532 P CB 1.195 32.953 31.700 0.097 0.000 0.977 533 T N 1.930 116.485 114.554 0.002 0.000 2.840 533 T HA 0.458 4.825 4.350 0.028 0.000 0.287 533 T C -0.459 174.193 174.700 -0.081 0.000 0.991 533 T CA -0.415 61.666 62.100 -0.031 0.000 0.964 533 T CB 0.540 69.372 68.868 -0.059 0.000 0.954 533 T HN 0.272 nan 8.240 nan 0.000 0.438 534 L N 4.894 126.085 121.223 -0.053 0.000 2.282 534 L HA 0.661 5.018 4.340 0.028 0.000 0.288 534 L C -1.088 175.709 176.870 -0.121 0.000 1.033 534 L CA -0.812 53.970 54.840 -0.096 0.000 0.807 534 L CB 0.492 42.529 42.059 -0.037 0.000 1.209 534 L HN 0.648 nan 8.230 nan 0.000 0.423 535 I N 5.045 125.497 120.570 -0.198 0.000 2.359 535 I HA 0.258 4.445 4.170 0.028 0.000 0.284 535 I C -0.106 175.959 176.117 -0.085 0.000 1.018 535 I CA -0.355 60.869 61.300 -0.127 0.000 1.173 535 I CB 1.518 39.410 38.000 -0.179 0.000 1.326 535 I HN 0.617 nan 8.210 nan 0.000 0.462 536 E N 6.275 126.447 120.200 -0.047 0.000 2.052 536 E HA 0.238 4.605 4.350 0.028 0.000 0.283 536 E C -1.167 175.381 176.600 -0.087 0.000 1.071 536 E CA -0.520 55.803 56.400 -0.127 0.000 0.851 536 E CB 0.667 30.321 29.700 -0.078 0.000 1.066 536 E HN 0.614 nan 8.360 nan 0.000 0.396 537 C N 5.825 125.042 119.300 -0.139 0.000 2.285 537 C HA 0.385 4.862 4.460 0.028 0.000 0.335 537 C C -0.407 174.503 174.990 -0.134 0.000 1.267 537 C CA -0.789 58.223 59.018 -0.011 0.000 1.762 537 C CB -0.847 26.921 27.740 0.046 0.000 2.365 537 C HN 0.601 nan 8.230 nan 0.000 0.527 538 F N 4.958 124.923 119.950 0.025 0.000 2.391 538 F HA 0.675 5.219 4.527 0.029 0.000 0.359 538 F C 0.613 176.426 175.800 0.021 0.000 1.122 538 F CA -0.450 57.563 58.000 0.023 0.000 1.120 538 F CB 0.499 39.510 39.000 0.019 0.000 1.142 538 F HN 0.503 nan 8.300 nan 0.000 0.483 539 I N -0.553 120.101 120.570 0.140 0.000 3.191 539 I HA 0.925 5.112 4.170 0.028 0.000 0.313 539 I C -0.027 176.145 176.117 0.091 0.000 1.193 539 I CA -1.335 60.024 61.300 0.100 0.000 0.968 539 I CB 1.828 39.861 38.000 0.056 0.000 1.262 539 I HN 0.536 nan 8.210 nan 0.000 0.456 540 G N 1.087 109.929 108.800 0.071 0.000 2.476 540 G HA2 0.271 4.247 3.960 0.028 0.000 0.269 540 G HA3 0.271 4.247 3.960 0.028 0.000 0.269 540 G C 0.442 175.373 174.900 0.052 0.000 1.195 540 G CA -0.513 44.627 45.100 0.067 0.000 0.843 540 G HN 0.976 nan 8.290 nan 0.000 0.545 541 R N 0.133 120.666 120.500 0.055 0.000 2.091 541 R HA -0.120 4.237 4.340 0.028 0.000 0.238 541 R C 1.621 177.930 176.300 0.014 0.000 1.136 541 R CA 2.019 58.138 56.100 0.032 0.000 0.959 541 R CB -0.070 30.242 30.300 0.019 0.000 0.856 541 R HN 0.557 nan 8.270 nan 0.000 0.437 542 E N 0.250 120.456 120.200 0.010 0.000 2.489 542 E HA -0.030 4.337 4.350 0.028 0.000 0.193 542 E C -0.433 176.165 176.600 -0.004 0.000 1.057 542 E CA 0.306 56.705 56.400 -0.003 0.000 0.866 542 E CB 0.236 29.932 29.700 -0.006 0.000 0.916 542 E HN 0.254 nan 8.360 nan 0.000 0.500 543 D N 1.048 121.451 120.400 0.006 0.000 2.551 543 D HA 0.033 4.690 4.640 0.028 0.000 0.223 543 D C -0.700 175.600 176.300 -0.000 0.000 1.144 543 D CA -0.319 53.683 54.000 0.005 0.000 1.025 543 D CB -0.542 40.267 40.800 0.016 0.000 1.085 543 D HN 0.175 nan 8.370 nan 0.000 0.506 544 C N 0.540 119.831 119.300 -0.014 0.000 3.108 544 C HA 0.856 5.333 4.460 0.028 0.000 0.321 544 C C 0.696 175.662 174.990 -0.040 0.000 1.357 544 C CA -0.727 58.278 59.018 -0.022 0.000 1.562 544 C CB 0.724 28.442 27.740 -0.037 0.000 2.003 544 C HN 0.477 nan 8.230 nan 0.000 0.460 545 T N -1.039 113.485 114.554 -0.050 0.000 2.903 545 T HA 0.195 4.561 4.350 0.028 0.000 0.314 545 T C 0.670 175.301 174.700 -0.115 0.000 1.078 545 T CA 0.309 62.373 62.100 -0.059 0.000 1.114 545 T CB 0.320 69.173 68.868 -0.026 0.000 0.987 545 T HN 0.820 nan 8.240 nan 0.000 0.548 546 E N 1.193 121.343 120.200 -0.084 0.000 2.153 546 E HA -0.152 4.215 4.350 0.028 0.000 0.194 546 E C 2.049 178.561 176.600 -0.145 0.000 0.988 546 E CA 1.285 57.630 56.400 -0.092 0.000 0.811 546 E CB -0.055 29.611 29.700 -0.057 0.000 0.746 546 E HN 0.789 nan 8.360 nan 0.000 0.466 547 E N 0.828 120.927 120.200 -0.169 0.000 2.077 547 E HA -0.199 4.168 4.350 0.028 0.000 0.193 547 E C 1.935 178.191 176.600 -0.574 0.000 0.989 547 E CA 0.657 56.908 56.400 -0.249 0.000 0.800 547 E CB -0.158 29.498 29.700 -0.073 0.000 0.746 547 E HN 0.106 nan 8.360 nan 0.000 0.452 548 L N 0.308 120.997 121.223 -0.890 0.000 2.042 548 L HA -0.166 4.191 4.340 0.028 0.000 0.210 548 L C 2.026 178.678 176.870 -0.364 0.000 1.076 548 L CA 1.484 55.696 54.840 -1.048 0.000 0.749 548 L CB -0.476 41.125 42.059 -0.762 0.000 0.893 548 L HN 0.023 nan 8.230 nan 0.000 0.432 549 V N -0.036 119.733 119.914 -0.243 0.000 2.287 549 V HA -0.330 3.807 4.120 0.028 0.000 0.248 549 V C 2.611 178.647 176.094 -0.096 0.000 1.053 549 V CA 2.343 64.568 62.300 -0.126 0.000 1.027 549 V CB -0.791 30.974 31.823 -0.098 0.000 0.646 549 V HN 0.484 nan 8.190 nan 0.000 0.447 550 K N -1.241 119.096 120.400 -0.105 0.000 2.025 550 K HA -0.235 4.102 4.320 0.028 0.000 0.207 550 K C 1.983 178.549 176.600 -0.057 0.000 1.049 550 K CA 1.985 58.228 56.287 -0.073 0.000 0.933 550 K CB -0.361 32.099 32.500 -0.067 0.000 0.714 550 K HN 0.609 nan 8.250 nan 0.000 0.438 551 W N 1.556 122.683 121.300 -0.288 0.000 2.358 551 W HA -0.125 4.551 4.660 0.027 0.000 0.303 551 W C 1.971 178.372 176.519 -0.196 0.000 1.208 551 W CA 1.937 59.114 57.345 -0.281 0.000 1.274 551 W CB -0.550 28.689 29.460 -0.368 0.000 1.138 551 W HN 0.094 nan 8.180 nan 0.000 0.515 552 G N 0.436 109.218 108.800 -0.030 0.000 2.432 552 G HA2 -0.273 3.703 3.960 0.028 0.000 0.219 552 G HA3 -0.273 3.703 3.960 0.028 0.000 0.219 552 G C 1.484 176.249 174.900 -0.225 0.000 1.135 552 G CA 1.073 46.072 45.100 -0.168 0.000 0.767 552 G HN 0.299 nan 8.290 nan 0.000 0.550 553 K N -0.153 120.154 120.400 -0.155 0.000 2.097 553 K HA 0.001 4.338 4.320 0.028 0.000 0.205 553 K C 2.734 179.241 176.600 -0.155 0.000 1.050 553 K CA 0.607 56.823 56.287 -0.119 0.000 0.938 553 K CB -0.059 32.395 32.500 -0.078 0.000 0.718 553 K HN 0.037 nan 8.250 nan 0.000 0.442 554 R N 0.550 120.915 120.500 -0.224 0.000 2.092 554 R HA -0.040 4.317 4.340 0.028 0.000 0.231 554 R C 2.297 178.427 176.300 -0.283 0.000 1.119 554 R CA 0.780 56.748 56.100 -0.221 0.000 0.970 554 R CB -0.828 29.334 30.300 -0.230 0.000 0.864 554 R HN 0.059 nan 8.270 nan 0.000 0.440 555 V N 1.441 121.061 119.914 -0.491 0.000 2.295 555 V HA -0.216 3.921 4.120 0.028 0.000 0.246 555 V C 2.548 178.513 176.094 -0.215 0.000 1.049 555 V CA 1.892 63.913 62.300 -0.465 0.000 1.024 555 V CB -0.852 30.459 31.823 -0.855 0.000 0.648 555 V HN 0.309 nan 8.190 nan 0.000 0.447 556 A N -0.100 122.614 122.820 -0.176 0.000 1.908 556 A HA -0.152 4.185 4.320 0.028 0.000 0.218 556 A C 2.403 179.958 177.584 -0.047 0.000 1.181 556 A CA 2.207 54.200 52.037 -0.073 0.000 0.627 556 A CB -0.756 18.230 19.000 -0.023 0.000 0.818 556 A HN 0.582 nan 8.150 nan 0.000 0.445 557 A N -0.277 122.511 122.820 -0.053 0.000 1.898 557 A HA 0.208 4.545 4.320 0.028 0.000 0.216 557 A C 2.503 180.092 177.584 0.009 0.000 1.181 557 A CA 1.972 53.998 52.037 -0.019 0.000 0.620 557 A CB -0.972 18.016 19.000 -0.019 0.000 0.819 557 A HN 1.025 nan 8.150 nan 0.000 0.442 558 A N 0.416 123.243 122.820 0.012 0.000 1.877 558 A HA -0.188 4.149 4.320 0.028 0.000 0.216 558 A C 1.882 179.516 177.584 0.084 0.000 1.186 558 A CA 1.809 53.903 52.037 0.095 0.000 0.620 558 A CB -0.651 18.409 19.000 0.101 0.000 0.822 558 A HN 0.525 nan 8.150 nan 0.000 0.443 559 N N 0.569 119.287 118.700 0.030 0.000 2.223 559 N HA -0.120 4.637 4.740 0.028 0.000 0.185 559 N C 1.771 177.284 175.510 0.005 0.000 1.016 559 N CA 1.811 54.873 53.050 0.020 0.000 0.863 559 N CB -0.363 38.117 38.487 -0.011 0.000 0.983 559 N HN 0.630 nan 8.380 nan 0.000 0.429 560 S N 0.172 115.869 115.700 -0.005 0.000 2.556 560 S HA 0.069 4.555 4.470 0.028 0.000 0.216 560 S C 0.576 175.176 174.600 -0.000 0.000 0.970 560 S CA -0.662 57.527 58.200 -0.017 0.000 0.912 560 S CB 0.040 63.220 63.200 -0.034 0.000 0.790 560 S HN 0.314 nan 8.310 nan 0.000 0.504 561 R N 1.875 122.386 120.500 0.018 0.000 2.640 561 R HA 0.186 4.543 4.340 0.028 0.000 0.270 561 R C -0.689 175.616 176.300 0.008 0.000 1.024 561 R CA -0.163 55.948 56.100 0.018 0.000 1.085 561 R CB 0.185 30.506 30.300 0.034 0.000 0.963 561 R HN 0.147 nan 8.270 nan 0.000 0.426 562 K N 3.145 123.547 120.400 0.003 0.000 2.319 562 K HA 0.154 4.491 4.320 0.028 0.000 0.265 562 K C -1.959 174.639 176.600 -0.004 0.000 1.000 562 K CA -1.305 54.981 56.287 -0.002 0.000 0.943 562 K CB 0.046 32.545 32.500 -0.002 0.000 0.950 562 K HN 0.527 nan 8.250 nan 0.000 0.485 563 P HA -0.019 nan 4.420 nan 0.000 0.267 563 P C -0.781 176.512 177.300 -0.012 0.000 1.200 563 P CA -0.209 62.885 63.100 -0.010 0.000 0.772 563 P CB 0.489 32.184 31.700 -0.009 0.000 0.855 564 V N 2.468 122.372 119.914 -0.016 0.000 2.863 564 V HA 0.192 4.329 4.120 0.028 0.000 0.307 564 V C 0.780 176.863 176.094 -0.017 0.000 1.061 564 V CA -0.823 61.467 62.300 -0.018 0.000 1.024 564 V CB 1.233 33.041 31.823 -0.026 0.000 1.049 564 V HN 0.594 nan 8.190 nan 0.000 0.471 565 N N 3.026 121.716 118.700 -0.016 0.000 2.452 565 N HA 0.073 4.830 4.740 0.028 0.000 0.266 565 N C -0.374 175.126 175.510 -0.016 0.000 1.209 565 N CA 0.036 53.078 53.050 -0.014 0.000 0.929 565 N CB 0.479 38.959 38.487 -0.012 0.000 1.063 565 N HN 0.505 nan 8.380 nan 0.000 0.472 566 K N 0.000 120.391 120.400 -0.015 0.000 2.780 566 K HA 0.000 4.337 4.320 0.028 0.000 0.191 566 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 566 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543