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 2wvh_1_Y 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 0.000 174.511 174.600 -0.149 0.000 1.055 2 S CA 0.000 58.182 58.200 -0.029 0.000 1.107 2 S CB 0.000 63.216 63.200 0.026 0.000 0.593 3 Y N 1.120 121.448 120.300 0.046 0.000 2.457 3 Y HA 0.741 5.292 4.550 0.001 0.000 0.333 3 Y C 1.164 177.101 175.900 0.062 0.000 1.119 3 Y CA 0.081 58.220 58.100 0.066 0.000 1.143 3 Y CB 2.193 40.727 38.460 0.123 0.000 1.230 3 Y HN 1.021 nan 8.280 nan 0.000 0.469 4 T N -2.787 111.894 114.554 0.212 0.000 2.949 4 T HA 0.363 4.713 4.350 0.001 0.000 0.287 4 T C 0.828 175.624 174.700 0.161 0.000 1.034 4 T CA -0.751 61.430 62.100 0.135 0.000 1.018 4 T CB 1.033 69.945 68.868 0.073 0.000 1.135 4 T HN 0.342 nan 8.240 nan 0.000 0.532 5 V N 1.544 121.504 119.914 0.078 0.000 2.282 5 V HA -0.102 4.018 4.120 0.001 0.000 0.249 5 V C 2.877 179.024 176.094 0.087 0.000 1.057 5 V CA 2.647 64.972 62.300 0.042 0.000 1.032 5 V CB -1.511 30.307 31.823 -0.007 0.000 0.645 5 V HN 1.110 nan 8.190 nan 0.000 0.447 6 G N -0.120 108.724 108.800 0.073 0.000 2.402 6 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 6 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 6 G C 1.746 176.699 174.900 0.089 0.000 1.162 6 G CA 1.561 46.697 45.100 0.059 0.000 0.777 6 G HN 0.593 nan 8.290 nan 0.000 0.539 7 T N -2.735 111.902 114.554 0.139 0.000 2.985 7 T HA -0.051 4.300 4.350 0.001 0.000 0.266 7 T C 2.074 176.968 174.700 0.322 0.000 1.076 7 T CA 1.015 63.222 62.100 0.178 0.000 1.135 7 T CB -0.345 68.588 68.868 0.108 0.000 0.890 7 T HN 0.252 nan 8.240 nan 0.000 0.480 8 Y N 1.785 122.206 120.300 0.203 0.000 2.145 8 Y HA 0.021 4.571 4.550 0.001 0.000 0.286 8 Y C 2.181 178.071 175.900 -0.017 0.000 1.145 8 Y CA 1.250 59.376 58.100 0.042 0.000 1.148 8 Y CB -0.603 37.844 38.460 -0.022 0.000 0.981 8 Y HN 0.221 nan 8.280 nan 0.000 0.507 9 L N 0.643 122.009 121.223 0.238 0.000 2.042 9 L HA -0.129 4.211 4.340 0.001 0.000 0.210 9 L C 2.405 179.269 176.870 -0.010 0.000 1.076 9 L CA 2.233 57.131 54.840 0.096 0.000 0.749 9 L CB -1.407 40.675 42.059 0.038 0.000 0.893 9 L HN 0.259 nan 8.230 nan 0.000 0.432 10 A N -0.703 122.112 122.820 -0.008 0.000 1.883 10 A HA -0.266 4.054 4.320 0.001 0.000 0.217 10 A C 2.264 179.829 177.584 -0.032 0.000 1.186 10 A CA 1.812 53.822 52.037 -0.045 0.000 0.624 10 A CB -0.808 18.183 19.000 -0.017 0.000 0.822 10 A HN 0.569 nan 8.150 nan 0.000 0.444 11 E N -0.076 120.114 120.200 -0.016 0.000 2.077 11 E HA -0.184 4.166 4.350 0.001 0.000 0.193 11 E C 2.171 178.700 176.600 -0.118 0.000 0.989 11 E CA 1.334 57.704 56.400 -0.050 0.000 0.800 11 E CB -0.185 29.475 29.700 -0.066 0.000 0.746 11 E HN 0.375 nan 8.360 nan 0.000 0.452 12 R N 0.113 120.505 120.500 -0.181 0.000 2.081 12 R HA -0.075 4.266 4.340 0.001 0.000 0.235 12 R C 2.532 178.784 176.300 -0.079 0.000 1.131 12 R CA 1.145 57.153 56.100 -0.154 0.000 0.960 12 R CB -0.983 29.232 30.300 -0.143 0.000 0.856 12 R HN 0.345 nan 8.270 nan 0.000 0.436 13 L N 0.099 121.285 121.223 -0.061 0.000 2.046 13 L HA -0.140 4.201 4.340 0.001 0.000 0.208 13 L C 2.459 179.329 176.870 0.001 0.000 1.077 13 L CA 0.948 55.769 54.840 -0.031 0.000 0.747 13 L CB -0.539 41.489 42.059 -0.053 0.000 0.896 13 L HN -0.056 nan 8.230 nan 0.000 0.432 14 V N -0.419 119.489 119.914 -0.009 0.000 2.343 14 V HA -0.292 3.828 4.120 0.001 0.000 0.247 14 V C 2.442 178.551 176.094 0.025 0.000 1.051 14 V CA 1.621 63.925 62.300 0.007 0.000 1.036 14 V CB -0.481 31.340 31.823 -0.004 0.000 0.654 14 V HN 0.499 nan 8.190 nan 0.000 0.451 15 Q N -0.202 119.606 119.800 0.013 0.000 2.170 15 Q HA -0.133 4.208 4.340 0.001 0.000 0.203 15 Q C 2.102 178.196 176.000 0.157 0.000 0.976 15 Q CA 1.871 57.704 55.803 0.051 0.000 0.858 15 Q CB -0.236 28.506 28.738 0.005 0.000 0.907 15 Q HN 0.867 nan 8.270 nan 0.000 0.433 16 I N -4.187 116.458 120.570 0.124 0.000 3.564 16 I HA 0.268 4.438 4.170 0.001 0.000 0.294 16 I C 0.943 177.215 176.117 0.259 0.000 1.289 16 I CA 0.822 62.267 61.300 0.242 0.000 1.325 16 I CB 0.031 38.037 38.000 0.009 0.000 1.039 16 I HN 0.192 nan 8.210 nan 0.000 0.474 17 G N 1.344 110.236 108.800 0.153 0.000 2.163 17 G HA2 -0.171 3.789 3.960 0.001 0.000 0.213 17 G HA3 -0.171 3.789 3.960 0.001 0.000 0.213 17 G C -0.229 174.743 174.900 0.121 0.000 0.991 17 G CA -0.349 44.817 45.100 0.111 0.000 0.653 17 G HN 0.223 nan 8.290 nan 0.000 0.518 18 L N 0.756 122.062 121.223 0.138 0.000 2.410 18 L HA 0.456 4.797 4.340 0.001 0.000 0.273 18 L C 1.436 178.375 176.870 0.115 0.000 1.152 18 L CA 0.364 55.320 54.840 0.193 0.000 0.855 18 L CB 1.038 43.182 42.059 0.142 0.000 1.129 18 L HN 0.004 nan 8.230 nan 0.000 0.463 19 K N 2.005 122.509 120.400 0.172 0.000 2.355 19 K HA 0.241 4.562 4.320 0.001 0.000 0.198 19 K C -0.347 175.959 176.600 -0.490 0.000 1.039 19 K CA 0.121 56.347 56.287 -0.100 0.000 1.075 19 K CB 0.331 32.790 32.500 -0.070 0.000 0.870 19 K HN 0.609 nan 8.250 nan 0.000 0.540 20 H N -0.452 118.531 119.070 -0.144 0.000 3.012 20 H HA 0.343 4.900 4.556 0.001 0.000 0.367 20 H C -0.422 174.566 175.328 -0.566 0.000 1.211 20 H CA -0.957 54.797 56.048 -0.491 0.000 1.139 20 H CB 1.340 30.647 29.762 -0.758 0.000 1.838 20 H HN 0.048 nan 8.280 nan 0.000 0.550 21 H N 0.333 119.110 119.070 -0.488 0.000 2.821 21 H HA 0.477 5.034 4.556 0.001 0.000 0.373 21 H C -1.545 173.456 175.328 -0.545 0.000 1.165 21 H CA -0.927 54.879 56.048 -0.404 0.000 1.154 21 H CB 1.293 30.951 29.762 -0.173 0.000 1.765 21 H HN 0.353 nan 8.280 nan 0.000 0.549 22 F N 0.719 120.616 119.950 -0.089 0.000 2.422 22 F HA 0.683 5.211 4.527 0.001 0.000 0.333 22 F C 0.296 176.108 175.800 0.020 0.000 1.095 22 F CA -0.380 57.566 58.000 -0.089 0.000 1.038 22 F CB 2.099 41.075 39.000 -0.040 0.000 1.156 22 F HN 0.853 nan 8.300 nan 0.000 0.483 23 A N 1.565 124.492 122.820 0.179 0.000 2.549 23 A HA 0.817 5.137 4.320 0.001 0.000 0.297 23 A C -1.909 175.831 177.584 0.259 0.000 1.061 23 A CA -0.710 51.456 52.037 0.215 0.000 0.690 23 A CB 1.573 20.710 19.000 0.230 0.000 1.287 23 A HN 0.491 nan 8.150 nan 0.000 0.402 24 V N 1.694 121.721 119.914 0.188 0.000 2.443 24 V HA 0.630 4.751 4.120 0.001 0.000 0.293 24 V C 0.692 176.847 176.094 0.102 0.000 1.021 24 V CA -0.331 62.054 62.300 0.141 0.000 0.848 24 V CB 1.171 33.042 31.823 0.080 0.000 0.998 24 V HN 1.438 nan 8.190 nan 0.000 0.424 25 A N 3.683 126.548 122.820 0.076 0.000 2.462 25 A HA 0.762 5.082 4.320 0.001 0.000 0.243 25 A C 0.644 178.238 177.584 0.017 0.000 1.076 25 A CA 0.687 52.747 52.037 0.039 0.000 0.773 25 A CB 0.349 19.337 19.000 -0.020 0.000 1.010 25 A HN 1.360 nan 8.150 nan 0.000 0.493 26 G N 0.331 109.144 108.800 0.023 0.000 2.677 26 G HA2 0.463 4.423 3.960 0.001 0.000 0.291 26 G HA3 0.463 4.423 3.960 0.001 0.000 0.291 26 G C -0.059 174.849 174.900 0.013 0.000 1.435 26 G CA 0.203 45.306 45.100 0.005 0.000 0.826 26 G HN 0.677 nan 8.290 nan 0.000 0.491 27 D N -0.931 119.456 120.400 -0.023 0.000 2.351 27 D HA -0.122 4.518 4.640 0.001 0.000 0.216 27 D C 0.817 177.042 176.300 -0.126 0.000 0.968 27 D CA 1.022 54.967 54.000 -0.092 0.000 0.899 27 D CB -0.033 40.680 40.800 -0.145 0.000 0.907 27 D HN 0.333 nan 8.370 nan 0.000 0.514 28 Y N 0.528 120.877 120.300 0.081 0.000 2.466 28 Y HA 0.134 4.684 4.550 0.001 0.000 0.272 28 Y C 1.126 177.053 175.900 0.045 0.000 1.169 28 Y CA 0.293 58.431 58.100 0.064 0.000 1.285 28 Y CB -0.071 38.441 38.460 0.086 0.000 1.078 28 Y HN 0.157 nan 8.280 nan 0.000 0.523 29 N N -1.675 117.120 118.700 0.157 0.000 2.118 29 N HA 0.042 4.782 4.740 0.001 0.000 0.226 29 N C 0.843 176.400 175.510 0.079 0.000 1.305 29 N CA 0.140 53.256 53.050 0.111 0.000 0.890 29 N CB -0.833 37.715 38.487 0.102 0.000 1.118 29 N HN 0.231 nan 8.380 nan 0.000 0.511 30 L N 0.041 121.301 121.223 0.062 0.000 2.012 30 L HA -0.071 4.269 4.340 0.001 0.000 0.210 30 L C 1.903 178.800 176.870 0.046 0.000 1.073 30 L CA 1.199 56.065 54.840 0.045 0.000 0.748 30 L CB -0.447 41.623 42.059 0.020 0.000 0.891 30 L HN 0.019 nan 8.230 nan 0.000 0.431 31 V N -0.076 119.865 119.914 0.044 0.000 2.358 31 V HA -0.276 3.845 4.120 0.001 0.000 0.246 31 V C 2.410 178.529 176.094 0.042 0.000 1.047 31 V CA 1.516 63.840 62.300 0.039 0.000 1.035 31 V CB -0.425 31.420 31.823 0.037 0.000 0.658 31 V HN 0.317 nan 8.190 nan 0.000 0.452 32 L N -0.143 121.108 121.223 0.047 0.000 2.012 32 L HA -0.177 4.163 4.340 0.001 0.000 0.210 32 L C 2.212 179.109 176.870 0.043 0.000 1.073 32 L CA 1.949 56.812 54.840 0.038 0.000 0.748 32 L CB -0.616 41.463 42.059 0.034 0.000 0.891 32 L HN 0.206 nan 8.230 nan 0.000 0.431 33 L N -0.759 120.506 121.223 0.069 0.000 2.046 33 L HA -0.229 4.111 4.340 0.001 0.000 0.208 33 L C 2.325 179.253 176.870 0.096 0.000 1.077 33 L CA 1.410 56.315 54.840 0.107 0.000 0.747 33 L CB -0.945 41.198 42.059 0.141 0.000 0.896 33 L HN 0.314 nan 8.230 nan 0.000 0.432 34 D N 0.052 120.493 120.400 0.068 0.000 2.104 34 D HA -0.190 4.451 4.640 0.001 0.000 0.194 34 D C 1.964 178.290 176.300 0.043 0.000 0.994 34 D CA 1.150 55.181 54.000 0.052 0.000 0.830 34 D CB -0.332 40.489 40.800 0.035 0.000 0.959 34 D HN 0.342 nan 8.370 nan 0.000 0.452 35 N N 0.352 119.073 118.700 0.035 0.000 2.166 35 N HA -0.079 4.661 4.740 0.001 0.000 0.186 35 N C 2.132 177.656 175.510 0.023 0.000 1.019 35 N CA 0.459 53.525 53.050 0.026 0.000 0.856 35 N CB -0.069 38.435 38.487 0.029 0.000 0.993 35 N HN 0.218 nan 8.380 nan 0.000 0.426 36 L N 1.083 122.317 121.223 0.019 0.000 2.083 36 L HA -0.115 4.226 4.340 0.001 0.000 0.209 36 L C 2.289 179.198 176.870 0.065 0.000 1.083 36 L CA 0.702 55.539 54.840 -0.005 0.000 0.752 36 L CB -0.358 41.646 42.059 -0.092 0.000 0.899 36 L HN 0.139 nan 8.230 nan 0.000 0.433 37 L N -0.529 120.744 121.223 0.083 0.000 2.265 37 L HA -0.207 4.133 4.340 0.001 0.000 0.215 37 L C 2.386 179.276 176.870 0.034 0.000 1.117 37 L CA 0.825 55.709 54.840 0.072 0.000 0.782 37 L CB -0.279 41.824 42.059 0.074 0.000 0.914 37 L HN 0.306 nan 8.230 nan 0.000 0.441 38 L N -0.721 120.515 121.223 0.021 0.000 2.191 38 L HA -0.146 4.194 4.340 0.001 0.000 0.212 38 L C 1.194 178.059 176.870 -0.008 0.000 1.103 38 L CA 0.427 55.267 54.840 -0.001 0.000 0.769 38 L CB -0.465 41.586 42.059 -0.014 0.000 0.908 38 L HN 0.302 nan 8.230 nan 0.000 0.438 39 N N 1.030 119.732 118.700 0.003 0.000 2.406 39 N HA -0.003 4.737 4.740 0.001 0.000 0.251 39 N C 0.458 175.964 175.510 -0.007 0.000 1.069 39 N CA 0.097 53.146 53.050 -0.002 0.000 0.947 39 N CB 0.967 39.458 38.487 0.007 0.000 1.111 39 N HN -0.007 nan 8.380 nan 0.000 0.497 40 K N 2.266 122.654 120.400 -0.019 0.000 2.444 40 K HA 0.114 4.434 4.320 0.001 0.000 0.193 40 K C 0.323 176.897 176.600 -0.044 0.000 1.024 40 K CA 0.073 56.342 56.287 -0.030 0.000 1.077 40 K CB 0.249 32.732 32.500 -0.027 0.000 0.833 40 K HN 0.498 nan 8.250 nan 0.000 0.517 41 N N 1.128 119.805 118.700 -0.039 0.000 2.398 41 N HA 0.025 4.765 4.740 0.001 0.000 0.188 41 N C 0.678 176.140 175.510 -0.079 0.000 1.122 41 N CA 0.292 53.313 53.050 -0.050 0.000 0.866 41 N CB 0.232 38.701 38.487 -0.030 0.000 0.970 41 N HN 0.382 nan 8.380 nan 0.000 0.462 42 M N -1.696 117.851 119.600 -0.088 0.000 2.569 42 M HA 0.490 4.971 4.480 0.001 0.000 0.279 42 M C -1.549 174.634 176.300 -0.195 0.000 1.253 42 M CA -0.814 54.390 55.300 -0.160 0.000 0.867 42 M CB 2.515 35.069 32.600 -0.076 0.000 1.727 42 M HN -0.301 nan 8.290 nan 0.000 0.467 43 E N 1.074 121.057 120.200 -0.361 0.000 2.214 43 E HA 0.345 4.695 4.350 0.001 0.000 0.274 43 E C -1.442 174.833 176.600 -0.541 0.000 0.977 43 E CA -0.805 55.388 56.400 -0.345 0.000 0.827 43 E CB 2.296 31.819 29.700 -0.294 0.000 1.130 43 E HN 0.613 nan 8.360 nan 0.000 0.394 44 Q N 2.000 121.461 119.800 -0.566 0.000 2.331 44 Q HA 0.305 4.646 4.340 0.001 0.000 0.257 44 Q C -1.413 174.014 176.000 -0.954 0.000 0.957 44 Q CA -0.487 54.769 55.803 -0.912 0.000 0.923 44 Q CB 1.057 29.469 28.738 -0.543 0.000 1.212 44 Q HN 0.259 nan 8.270 nan 0.000 0.443 45 V N 5.312 124.647 119.914 -0.965 0.000 2.398 45 V HA 0.335 4.455 4.120 0.001 0.000 0.286 45 V C -0.945 174.818 176.094 -0.552 0.000 1.026 45 V CA -0.678 61.192 62.300 -0.716 0.000 0.868 45 V CB 0.755 32.187 31.823 -0.652 0.000 0.982 45 V HN 0.656 nan 8.190 nan 0.000 0.443 46 Y N 2.483 122.815 120.300 0.053 0.000 2.352 46 Y HA 0.635 5.185 4.550 0.001 0.000 0.326 46 Y C 0.501 176.470 175.900 0.114 0.000 1.166 46 Y CA -0.716 57.429 58.100 0.074 0.000 1.182 46 Y CB 1.279 39.753 38.460 0.023 0.000 1.216 46 Y HN 0.562 nan 8.280 nan 0.000 0.474 47 C N 0.320 119.768 119.300 0.247 0.000 2.719 47 C HA 0.382 4.842 4.460 0.001 0.000 0.327 47 C C 1.493 176.511 174.990 0.048 0.000 1.238 47 C CA -0.760 58.327 59.018 0.115 0.000 1.727 47 C CB 1.414 29.241 27.740 0.145 0.000 2.256 47 C HN 1.116 nan 8.230 nan 0.000 0.489 48 C N 1.581 120.863 119.300 -0.031 0.000 2.496 48 C HA -0.022 4.438 4.460 0.001 0.000 0.281 48 C C 1.066 176.054 174.990 -0.002 0.000 1.250 48 C CA 1.111 60.108 59.018 -0.034 0.000 1.717 48 C CB -1.442 26.252 27.740 -0.076 0.000 2.082 48 C HN 1.012 nan 8.230 nan 0.000 0.472 49 N N -0.098 118.603 118.700 0.001 0.000 2.545 49 N HA 0.334 5.074 4.740 0.001 0.000 0.289 49 N C -0.274 175.243 175.510 0.011 0.000 1.279 49 N CA -0.567 52.489 53.050 0.010 0.000 0.824 49 N CB 0.394 38.889 38.487 0.015 0.000 1.395 49 N HN 0.049 nan 8.380 nan 0.000 0.526 50 E N -0.519 119.679 120.200 -0.003 0.000 2.152 50 E HA 0.006 4.357 4.350 0.001 0.000 0.192 50 E C 1.373 177.941 176.600 -0.052 0.000 0.983 50 E CA 0.396 56.784 56.400 -0.019 0.000 0.818 50 E CB -0.195 29.480 29.700 -0.041 0.000 0.758 50 E HN 0.537 nan 8.360 nan 0.000 0.467 51 L N 1.112 122.305 121.223 -0.050 0.000 2.017 51 L HA -0.166 4.174 4.340 0.001 0.000 0.208 51 L C 1.356 178.166 176.870 -0.100 0.000 1.073 51 L CA 1.795 56.569 54.840 -0.110 0.000 0.745 51 L CB -0.477 41.576 42.059 -0.010 0.000 0.894 51 L HN 0.040 nan 8.230 nan 0.000 0.432 52 N N -1.065 117.649 118.700 0.025 0.000 2.188 52 N HA -0.196 4.544 4.740 0.001 0.000 0.184 52 N C 2.035 177.570 175.510 0.041 0.000 1.018 52 N CA 1.404 54.503 53.050 0.081 0.000 0.858 52 N CB -1.109 37.400 38.487 0.038 0.000 0.989 52 N HN 0.543 nan 8.380 nan 0.000 0.426 53 C N 0.668 119.978 119.300 0.016 0.000 2.413 53 C HA -0.041 4.420 4.460 0.001 0.000 0.276 53 C C 2.767 177.726 174.990 -0.052 0.000 1.236 53 C CA 1.436 60.470 59.018 0.027 0.000 1.735 53 C CB -1.284 26.495 27.740 0.066 0.000 2.031 53 C HN 0.518 nan 8.230 nan 0.000 0.474 54 G N -0.837 107.908 108.800 -0.091 0.000 2.446 54 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 54 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 54 G C 1.339 176.177 174.900 -0.103 0.000 1.168 54 G CA 0.901 45.917 45.100 -0.141 0.000 0.771 54 G HN 0.486 nan 8.290 nan 0.000 0.551 55 F N 1.685 121.625 119.950 -0.016 0.000 2.293 55 F HA 0.049 4.576 4.527 0.001 0.000 0.300 55 F C 2.997 178.734 175.800 -0.105 0.000 1.086 55 F CA 0.822 58.825 58.000 0.004 0.000 1.375 55 F CB -0.470 38.539 39.000 0.014 0.000 1.045 55 F HN 0.085 nan 8.300 nan 0.000 0.516 56 S N -0.021 115.659 115.700 -0.034 0.000 2.356 56 S HA -0.156 4.314 4.470 0.001 0.000 0.223 56 S C 2.425 176.637 174.600 -0.648 0.000 1.032 56 S CA 1.077 59.081 58.200 -0.327 0.000 1.005 56 S CB -0.659 62.298 63.200 -0.405 0.000 0.867 56 S HN 0.347 nan 8.310 nan 0.000 0.449 57 A N 1.530 123.981 122.820 -0.615 0.000 1.933 57 A HA -0.151 4.169 4.320 0.001 0.000 0.218 57 A C 2.086 179.677 177.584 0.010 0.000 1.175 57 A CA 1.490 53.338 52.037 -0.315 0.000 0.628 57 A CB -0.557 18.397 19.000 -0.076 0.000 0.814 57 A HN 0.460 nan 8.150 nan 0.000 0.444 58 E N -0.119 120.128 120.200 0.078 0.000 2.058 58 E HA -0.175 4.175 4.350 0.001 0.000 0.194 58 E C 2.168 178.913 176.600 0.242 0.000 0.997 58 E CA 1.466 57.995 56.400 0.215 0.000 0.801 58 E CB -0.511 29.420 29.700 0.384 0.000 0.746 58 E HN 0.503 nan 8.360 nan 0.000 0.450 59 G N -0.304 108.607 108.800 0.185 0.000 2.422 59 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 59 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 59 G C 1.535 176.556 174.900 0.201 0.000 1.146 59 G CA 0.857 46.072 45.100 0.192 0.000 0.769 59 G HN 0.373 nan 8.290 nan 0.000 0.547 60 Y N 1.902 122.195 120.300 -0.012 0.000 2.181 60 Y HA -0.024 4.527 4.550 0.001 0.000 0.288 60 Y C 2.926 178.844 175.900 0.029 0.000 1.146 60 Y CA 1.456 59.556 58.100 0.001 0.000 1.164 60 Y CB -0.205 38.334 38.460 0.130 0.000 0.982 60 Y HN 0.246 nan 8.280 nan 0.000 0.515 61 A N 0.274 123.229 122.820 0.225 0.000 2.019 61 A HA -0.185 4.136 4.320 0.001 0.000 0.219 61 A C 2.215 179.842 177.584 0.073 0.000 1.164 61 A CA 1.629 53.752 52.037 0.144 0.000 0.644 61 A CB -0.550 18.545 19.000 0.158 0.000 0.805 61 A HN 0.542 nan 8.150 nan 0.000 0.449 62 R N -0.762 119.816 120.500 0.130 0.000 2.148 62 R HA 0.012 4.353 4.340 0.001 0.000 0.227 62 R C 2.254 178.602 176.300 0.081 0.000 1.103 62 R CA 1.085 57.292 56.100 0.179 0.000 0.983 62 R CB -0.254 30.255 30.300 0.350 0.000 0.874 62 R HN 0.513 nan 8.270 nan 0.000 0.451 63 A N 0.407 123.124 122.820 -0.173 0.000 1.984 63 A HA 0.023 4.344 4.320 0.001 0.000 0.214 63 A C 1.564 178.928 177.584 -0.368 0.000 1.173 63 A CA 0.788 52.529 52.037 -0.494 0.000 0.673 63 A CB 0.328 18.696 19.000 -1.053 0.000 0.830 63 A HN -0.025 nan 8.150 nan 0.000 0.453 64 K N -2.066 118.121 120.400 -0.355 0.000 2.412 64 K HA 0.275 4.595 4.320 0.001 0.000 0.202 64 K C 1.154 177.695 176.600 -0.098 0.000 1.102 64 K CA 0.833 56.955 56.287 -0.274 0.000 1.027 64 K CB 0.967 33.206 32.500 -0.435 0.000 0.931 64 K HN 0.659 nan 8.250 nan 0.000 0.557 65 G N 1.013 109.782 108.800 -0.052 0.000 2.279 65 G HA2 -0.211 3.749 3.960 0.001 0.000 0.223 65 G HA3 -0.211 3.749 3.960 0.001 0.000 0.223 65 G C 0.229 175.161 174.900 0.054 0.000 1.015 65 G CA 0.114 45.218 45.100 0.006 0.000 0.621 65 G HN 0.630 nan 8.290 nan 0.000 0.506 66 A N -0.964 121.915 122.820 0.098 0.000 2.588 66 A HA 1.157 5.477 4.320 0.001 0.000 0.290 66 A C -0.272 177.466 177.584 0.257 0.000 1.136 66 A CA 0.642 52.761 52.037 0.136 0.000 0.681 66 A CB 0.945 20.009 19.000 0.107 0.000 1.282 66 A HN 2.292 nan 8.150 nan 0.000 0.421 67 A N -1.137 121.817 122.820 0.224 0.000 2.586 67 A HA 1.010 5.330 4.320 0.001 0.000 0.290 67 A C -0.782 176.898 177.584 0.160 0.000 1.086 67 A CA 0.038 52.239 52.037 0.274 0.000 0.665 67 A CB 0.578 19.786 19.000 0.347 0.000 1.279 67 A HN 2.669 nan 8.150 nan 0.000 0.423 68 A N -0.595 122.323 122.820 0.163 0.000 2.520 68 A HA 0.960 5.280 4.320 0.001 0.000 0.298 68 A C -0.494 177.207 177.584 0.195 0.000 1.051 68 A CA 0.115 52.229 52.037 0.129 0.000 0.690 68 A CB 1.343 20.385 19.000 0.070 0.000 1.281 68 A HN 2.559 nan 8.150 nan 0.000 0.402 69 A N 1.151 124.056 122.820 0.142 0.000 2.356 69 A HA 0.717 5.038 4.320 0.001 0.000 0.310 69 A C -1.065 176.586 177.584 0.112 0.000 1.075 69 A CA -0.479 51.654 52.037 0.161 0.000 0.746 69 A CB 1.378 20.445 19.000 0.110 0.000 1.221 69 A HN 1.388 nan 8.150 nan 0.000 0.443 70 V N 3.305 123.300 119.914 0.134 0.000 2.409 70 V HA 0.639 4.760 4.120 0.001 0.000 0.291 70 V C 0.191 176.341 176.094 0.093 0.000 1.020 70 V CA -0.351 62.006 62.300 0.094 0.000 0.848 70 V CB 0.964 32.851 31.823 0.107 0.000 0.990 70 V HN 1.131 nan 8.190 nan 0.000 0.430 71 V N 1.631 121.581 119.914 0.060 0.000 3.156 71 V HA 0.794 4.915 4.120 0.001 0.000 0.311 71 V C -0.204 175.920 176.094 0.050 0.000 1.208 71 V CA -0.595 61.733 62.300 0.046 0.000 1.063 71 V CB 1.973 33.803 31.823 0.012 0.000 1.098 71 V HN 0.690 nan 8.190 nan 0.000 0.452 72 T N -0.548 114.028 114.554 0.037 0.000 2.912 72 T HA 0.510 4.860 4.350 0.001 0.000 0.280 72 T C -1.021 173.731 174.700 0.085 0.000 0.989 72 T CA -0.280 61.873 62.100 0.088 0.000 0.995 72 T CB 0.957 69.862 68.868 0.062 0.000 1.077 72 T HN 0.803 nan 8.240 nan 0.000 0.531 73 Y N 2.099 122.430 120.300 0.051 0.000 2.442 73 Y HA 0.301 4.852 4.550 0.001 0.000 0.330 73 Y C 1.441 177.338 175.900 -0.006 0.000 1.129 73 Y CA 1.264 59.353 58.100 -0.018 0.000 1.365 73 Y CB -0.016 38.340 38.460 -0.175 0.000 1.233 73 Y HN 0.976 nan 8.280 nan 0.000 0.529 74 S N 0.923 116.188 115.700 -0.724 0.000 1.577 74 S HA -0.357 4.114 4.470 0.001 0.000 0.240 74 S C 1.361 175.825 174.600 -0.226 0.000 0.755 74 S CA 2.029 59.936 58.200 -0.487 0.000 1.398 74 S CB -1.966 61.099 63.200 -0.224 0.000 1.552 74 S HN 1.143 nan 8.310 nan 0.000 0.510 75 V N 0.741 120.559 119.914 -0.160 0.000 2.427 75 V HA 0.173 4.293 4.120 0.001 0.000 0.248 75 V C 2.181 178.185 176.094 -0.149 0.000 1.051 75 V CA 2.516 64.728 62.300 -0.146 0.000 1.048 75 V CB -1.507 30.178 31.823 -0.230 0.000 0.666 75 V HN 0.695 nan 8.190 nan 0.000 0.456 76 G N -0.397 108.306 108.800 -0.161 0.000 2.471 76 G HA2 0.124 4.084 3.960 0.001 0.000 0.211 76 G HA3 0.124 4.084 3.960 0.001 0.000 0.211 76 G C 1.727 176.514 174.900 -0.188 0.000 1.194 76 G CA 0.851 45.873 45.100 -0.130 0.000 0.816 76 G HN 0.795 nan 8.290 nan 0.000 0.545 77 A N 0.533 123.196 122.820 -0.261 0.000 1.908 77 A HA 0.032 4.352 4.320 0.001 0.000 0.218 77 A C 2.373 179.472 177.584 -0.809 0.000 1.181 77 A CA 1.491 53.274 52.037 -0.424 0.000 0.627 77 A CB -0.512 18.256 19.000 -0.386 0.000 0.818 77 A HN 0.283 nan 8.150 nan 0.000 0.445 78 L N 0.772 121.579 121.223 -0.693 0.000 2.042 78 L HA -0.191 4.150 4.340 0.001 0.000 0.210 78 L C 3.008 179.692 176.870 -0.310 0.000 1.076 78 L CA 2.509 56.970 54.840 -0.632 0.000 0.749 78 L CB -0.732 41.162 42.059 -0.275 0.000 0.893 78 L HN 0.590 nan 8.230 nan 0.000 0.432 79 S N -1.343 114.245 115.700 -0.187 0.000 2.406 79 S HA -0.048 4.422 4.470 0.001 0.000 0.228 79 S C 2.115 176.675 174.600 -0.067 0.000 1.020 79 S CA 0.586 58.746 58.200 -0.065 0.000 0.965 79 S CB -0.680 62.499 63.200 -0.035 0.000 0.798 79 S HN 0.321 nan 8.310 nan 0.000 0.488 80 A N 1.415 124.160 122.820 -0.125 0.000 2.019 80 A HA 0.072 4.393 4.320 0.001 0.000 0.219 80 A C 1.794 179.415 177.584 0.062 0.000 1.164 80 A CA 1.115 53.106 52.037 -0.078 0.000 0.644 80 A CB -1.008 17.958 19.000 -0.056 0.000 0.805 80 A HN 0.469 nan 8.150 nan 0.000 0.449 81 F N 0.603 120.531 119.950 -0.037 0.000 2.192 81 F HA -0.174 4.353 4.527 0.001 0.000 0.301 81 F C 2.164 177.955 175.800 -0.015 0.000 1.079 81 F CA 1.124 59.107 58.000 -0.027 0.000 1.303 81 F CB -0.911 38.083 39.000 -0.010 0.000 1.024 81 F HN 0.337 nan 8.300 nan 0.000 0.494 82 D N 0.081 120.611 120.400 0.217 0.000 2.097 82 D HA -0.145 4.495 4.640 0.001 0.000 0.195 82 D C 2.249 178.596 176.300 0.079 0.000 0.989 82 D CA 1.429 55.597 54.000 0.280 0.000 0.827 82 D CB -0.150 40.819 40.800 0.283 0.000 0.966 82 D HN 0.188 nan 8.370 nan 0.000 0.456 83 A N 0.468 123.100 122.820 -0.312 0.000 1.968 83 A HA -0.080 4.241 4.320 0.001 0.000 0.217 83 A C 2.250 179.665 177.584 -0.281 0.000 1.169 83 A CA 0.658 52.310 52.037 -0.642 0.000 0.638 83 A CB -0.375 18.064 19.000 -0.936 0.000 0.812 83 A HN 0.251 nan 8.150 nan 0.000 0.446 84 I N 0.130 120.610 120.570 -0.149 0.000 2.252 84 I HA -0.148 4.022 4.170 0.001 0.000 0.245 84 I C 2.678 178.661 176.117 -0.223 0.000 1.102 84 I CA 1.370 62.613 61.300 -0.094 0.000 1.385 84 I CB -1.944 36.076 38.000 0.034 0.000 1.064 84 I HN 0.333 nan 8.210 nan 0.000 0.414 85 G N 0.767 109.360 108.800 -0.345 0.000 2.442 85 G HA2 -0.220 3.741 3.960 0.001 0.000 0.219 85 G HA3 -0.220 3.741 3.960 0.001 0.000 0.219 85 G C 1.756 175.800 174.900 -1.426 0.000 1.141 85 G CA 0.954 45.627 45.100 -0.712 0.000 0.763 85 G HN 0.478 nan 8.290 nan 0.000 0.554 86 G N 1.073 108.918 108.800 -1.591 0.000 2.421 86 G HA2 0.034 3.994 3.960 0.001 0.000 0.216 86 G HA3 0.034 3.994 3.960 0.001 0.000 0.216 86 G C 2.061 176.693 174.900 -0.447 0.000 1.171 86 G CA 1.526 45.779 45.100 -1.412 0.000 0.775 86 G HN 0.660 nan 8.290 nan 0.000 0.543 87 A N -0.318 122.366 122.820 -0.226 0.000 1.933 87 A HA -0.017 4.303 4.320 0.001 0.000 0.218 87 A C 2.196 179.740 177.584 -0.067 0.000 1.175 87 A CA 1.654 53.654 52.037 -0.061 0.000 0.628 87 A CB -0.602 18.394 19.000 -0.007 0.000 0.814 87 A HN 0.456 nan 8.150 nan 0.000 0.444 88 Y N 0.473 120.641 120.300 -0.221 0.000 2.145 88 Y HA -0.080 4.471 4.550 0.001 0.000 0.286 88 Y C 2.692 178.521 175.900 -0.119 0.000 1.145 88 Y CA 1.314 59.318 58.100 -0.159 0.000 1.148 88 Y CB -0.474 37.877 38.460 -0.181 0.000 0.981 88 Y HN 0.304 nan 8.280 nan 0.000 0.507 89 A N -0.169 122.689 122.820 0.062 0.000 1.972 89 A HA -0.140 4.181 4.320 0.001 0.000 0.219 89 A C 1.746 179.354 177.584 0.039 0.000 1.169 89 A CA 1.859 53.969 52.037 0.122 0.000 0.635 89 A CB -0.383 18.772 19.000 0.258 0.000 0.810 89 A HN 0.520 nan 8.150 nan 0.000 0.446 90 E N 0.158 120.350 120.200 -0.013 0.000 2.465 90 E HA 0.045 4.395 4.350 0.001 0.000 0.195 90 E C -0.552 176.037 176.600 -0.018 0.000 1.028 90 E CA -0.218 56.179 56.400 -0.005 0.000 0.899 90 E CB -0.204 29.501 29.700 0.008 0.000 1.032 90 E HN 0.605 nan 8.360 nan 0.000 0.468 91 N N 0.835 119.487 118.700 -0.080 0.000 2.738 91 N HA -0.204 4.536 4.740 0.001 0.000 0.249 91 N C -0.704 174.769 175.510 -0.061 0.000 1.047 91 N CA 0.632 53.616 53.050 -0.110 0.000 0.707 91 N CB -1.564 36.873 38.487 -0.083 0.000 0.937 91 N HN 0.224 nan 8.380 nan 0.000 0.545 92 L N 0.389 121.586 121.223 -0.042 0.000 2.333 92 L HA 0.421 4.762 4.340 0.001 0.000 0.280 92 L C -2.074 174.793 176.870 -0.005 0.000 1.004 92 L CA -1.836 53.006 54.840 0.004 0.000 0.820 92 L CB 1.961 44.057 42.059 0.061 0.000 1.247 92 L HN -0.228 nan 8.230 nan 0.000 0.416 93 P HA 0.076 nan 4.420 nan 0.000 0.256 93 P C -0.570 176.750 177.300 0.033 0.000 1.688 93 P CA -0.010 63.089 63.100 -0.002 0.000 1.162 93 P CB 0.152 31.847 31.700 -0.008 0.000 1.870 94 V N 5.082 125.019 119.914 0.038 0.000 2.407 94 V HA 0.279 4.399 4.120 0.001 0.000 0.278 94 V C 0.696 176.819 176.094 0.049 0.000 1.037 94 V CA -0.543 61.793 62.300 0.061 0.000 0.900 94 V CB 1.331 33.191 31.823 0.063 0.000 0.983 94 V HN 0.290 nan 8.190 nan 0.000 0.459 95 I N 5.918 126.518 120.570 0.050 0.000 2.297 95 I HA 0.280 4.450 4.170 0.001 0.000 0.291 95 I C -0.352 175.789 176.117 0.041 0.000 1.033 95 I CA -0.347 60.971 61.300 0.030 0.000 1.253 95 I CB 1.209 39.212 38.000 0.005 0.000 1.396 95 I HN 0.410 nan 8.210 nan 0.000 0.476 96 L N 8.997 130.253 121.223 0.055 0.000 2.260 96 L HA 0.506 4.846 4.340 0.001 0.000 0.289 96 L C -0.649 176.201 176.870 -0.033 0.000 1.057 96 L CA 0.088 54.968 54.840 0.068 0.000 0.811 96 L CB 0.544 42.712 42.059 0.181 0.000 1.184 96 L HN 0.381 nan 8.230 nan 0.000 0.429 97 I N 4.283 124.826 120.570 -0.046 0.000 2.362 97 I HA 0.406 4.577 4.170 0.001 0.000 0.289 97 I C 0.105 176.171 176.117 -0.086 0.000 0.994 97 I CA 0.073 61.302 61.300 -0.119 0.000 1.158 97 I CB 1.737 39.687 38.000 -0.083 0.000 1.315 97 I HN 0.580 nan 8.210 nan 0.000 0.451 98 S N 3.971 119.577 115.700 -0.156 0.000 2.472 98 S HA 0.773 5.244 4.470 0.001 0.000 0.303 98 S C 0.220 174.818 174.600 -0.003 0.000 1.099 98 S CA -0.626 57.552 58.200 -0.037 0.000 1.077 98 S CB 1.037 64.256 63.200 0.030 0.000 1.031 98 S HN 0.793 nan 8.310 nan 0.000 0.487 99 G N 2.082 110.924 108.800 0.070 0.000 2.636 99 G HA2 0.587 4.547 3.960 0.001 0.000 0.246 99 G HA3 0.587 4.547 3.960 0.001 0.000 0.246 99 G C -0.202 174.751 174.900 0.088 0.000 1.216 99 G CA 0.118 45.278 45.100 0.100 0.000 0.854 99 G HN 1.154 nan 8.290 nan 0.000 0.572 100 A N 1.134 123.931 122.820 -0.038 0.000 2.602 100 A HA 0.872 5.193 4.320 0.001 0.000 0.290 100 A C -2.937 174.321 177.584 -0.544 0.000 1.114 100 A CA -1.298 50.553 52.037 -0.310 0.000 0.683 100 A CB 1.193 20.124 19.000 -0.114 0.000 1.281 100 A HN 0.510 nan 8.150 nan 0.000 0.416 101 P HA 0.019 nan 4.420 nan 0.000 0.269 101 P C -0.347 176.830 177.300 -0.206 0.000 1.217 101 P CA -0.303 62.366 63.100 -0.719 0.000 0.783 101 P CB 0.339 31.460 31.700 -0.964 0.000 0.898 102 N N 2.888 121.558 118.700 -0.049 0.000 2.292 102 N HA -0.115 4.625 4.740 0.001 0.000 0.258 102 N C 1.065 176.592 175.510 0.030 0.000 1.261 102 N CA 0.224 53.291 53.050 0.029 0.000 0.845 102 N CB 0.218 38.734 38.487 0.050 0.000 1.064 102 N HN 0.370 nan 8.380 nan 0.000 0.471 103 N N 3.788 122.556 118.700 0.115 0.000 2.520 103 N HA -0.143 4.598 4.740 0.001 0.000 0.185 103 N C 0.312 175.916 175.510 0.158 0.000 1.068 103 N CA 0.939 54.114 53.050 0.208 0.000 0.911 103 N CB -0.279 38.316 38.487 0.180 0.000 0.961 103 N HN 0.472 nan 8.380 nan 0.000 0.446 104 N N 0.497 119.246 118.700 0.082 0.000 2.515 104 N HA -0.049 4.691 4.740 0.001 0.000 0.185 104 N C -0.112 175.416 175.510 0.030 0.000 1.109 104 N CA 0.537 53.622 53.050 0.058 0.000 0.903 104 N CB 0.079 38.605 38.487 0.064 0.000 0.969 104 N HN 0.353 nan 8.380 nan 0.000 0.450 105 D N -0.218 120.166 120.400 -0.027 0.000 2.328 105 D HA 0.024 4.664 4.640 0.001 0.000 0.221 105 D C 0.184 176.367 176.300 -0.196 0.000 1.072 105 D CA 0.219 54.170 54.000 -0.083 0.000 0.850 105 D CB 0.241 40.962 40.800 -0.131 0.000 0.922 105 D HN 0.287 nan 8.370 nan 0.000 0.516 106 H N 0.422 119.465 119.070 -0.044 0.000 2.525 106 H HA 0.343 4.899 4.556 0.001 0.000 0.339 106 H C 1.042 176.334 175.328 -0.061 0.000 1.109 106 H CA -0.123 55.907 56.048 -0.029 0.000 1.352 106 H CB 1.535 31.205 29.762 -0.153 0.000 1.461 106 H HN -0.045 nan 8.280 nan 0.000 0.533 107 A N 1.936 124.802 122.820 0.077 0.000 2.783 107 A HA -0.227 4.094 4.320 0.001 0.000 0.292 107 A C 1.275 178.821 177.584 -0.062 0.000 1.495 107 A CA 1.168 53.210 52.037 0.008 0.000 0.787 107 A CB -1.885 17.116 19.000 0.003 0.000 1.017 107 A HN 0.848 nan 8.150 nan 0.000 0.516 108 A N -1.298 121.439 122.820 -0.137 0.000 2.469 108 A HA 0.582 4.902 4.320 0.001 0.000 0.245 108 A C 2.134 179.517 177.584 -0.335 0.000 1.221 108 A CA 1.251 53.085 52.037 -0.338 0.000 0.946 108 A CB -0.362 18.239 19.000 -0.665 0.000 1.049 108 A HN 2.596 nan 8.150 nan 0.000 0.529 109 G N 0.066 108.797 108.800 -0.116 0.000 2.221 109 G HA2 -0.269 3.691 3.960 0.001 0.000 0.265 109 G HA3 -0.269 3.691 3.960 0.001 0.000 0.265 109 G C -0.141 174.847 174.900 0.146 0.000 1.041 109 G CA 0.632 45.735 45.100 0.006 0.000 0.807 109 G HN 0.818 nan 8.290 nan 0.000 0.502 110 H N -1.144 117.977 119.070 0.084 0.000 2.467 110 H HA 0.472 5.029 4.556 0.001 0.000 0.326 110 H C -0.073 175.358 175.328 0.171 0.000 1.094 110 H CA -1.164 54.942 56.048 0.097 0.000 1.253 110 H CB 1.945 31.747 29.762 0.067 0.000 1.439 110 H HN 0.094 nan 8.280 nan 0.000 0.479 111 V N 6.061 126.128 119.914 0.256 0.000 2.432 111 V HA 0.174 4.294 4.120 0.001 0.000 0.275 111 V C 0.082 176.311 176.094 0.224 0.000 1.043 111 V CA -0.372 62.071 62.300 0.238 0.000 0.925 111 V CB 0.814 32.722 31.823 0.141 0.000 0.985 111 V HN 0.520 nan 8.190 nan 0.000 0.466 112 L N 3.481 124.887 121.223 0.307 0.000 2.333 112 L HA 0.557 4.898 4.340 0.001 0.000 0.269 112 L C -0.050 176.978 176.870 0.263 0.000 1.010 112 L CA -1.038 53.929 54.840 0.212 0.000 0.818 112 L CB 1.735 43.827 42.059 0.054 0.000 1.306 112 L HN 0.645 nan 8.230 nan 0.000 0.430 113 H N 1.883 121.008 119.070 0.091 0.000 2.852 113 H HA 0.056 4.612 4.556 0.001 0.000 0.362 113 H C 0.087 175.504 175.328 0.148 0.000 1.122 113 H CA 0.665 56.712 56.048 -0.002 0.000 1.419 113 H CB 0.337 29.980 29.762 -0.198 0.000 1.401 113 H HN 0.527 nan 8.280 nan 0.000 0.609 114 H N -0.785 118.099 119.070 -0.310 0.000 2.992 114 H HA -0.152 4.404 4.556 0.001 0.000 0.266 114 H C -0.466 175.004 175.328 0.235 0.000 1.200 114 H CA 0.831 56.841 56.048 -0.063 0.000 1.135 114 H CB -1.851 27.985 29.762 0.122 0.000 1.282 114 H HN 0.704 nan 8.280 nan 0.000 0.351 115 A N -0.374 122.660 122.820 0.357 0.000 2.524 115 A HA 0.678 4.998 4.320 0.001 0.000 0.286 115 A C 1.165 178.894 177.584 0.242 0.000 1.203 115 A CA -0.330 51.990 52.037 0.472 0.000 0.736 115 A CB 0.562 19.998 19.000 0.727 0.000 1.322 115 A HN 0.069 nan 8.150 nan 0.000 0.424 116 L N 0.331 121.628 121.223 0.123 0.000 2.465 116 L HA 0.176 4.516 4.340 0.001 0.000 0.224 116 L C 1.718 178.584 176.870 -0.007 0.000 1.145 116 L CA 1.353 56.159 54.840 -0.057 0.000 0.834 116 L CB -0.293 41.585 42.059 -0.301 0.000 0.944 116 L HN 1.331 nan 8.230 nan 0.000 0.451 117 G N -0.479 108.357 108.800 0.060 0.000 2.179 117 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 117 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 117 G C 0.307 175.219 174.900 0.020 0.000 0.990 117 G CA -0.213 44.921 45.100 0.056 0.000 0.646 117 G HN 0.302 nan 8.290 nan 0.000 0.517 118 K N -0.568 119.811 120.400 -0.035 0.000 2.502 118 K HA 0.664 4.985 4.320 0.001 0.000 0.252 118 K C 1.504 178.017 176.600 -0.146 0.000 1.043 118 K CA 0.035 56.269 56.287 -0.089 0.000 0.999 118 K CB 0.670 33.086 32.500 -0.139 0.000 1.343 118 K HN 0.191 nan 8.250 nan 0.000 0.513 119 T N -2.336 112.113 114.554 -0.174 0.000 3.092 119 T HA 0.090 4.440 4.350 0.001 0.000 0.258 119 T C -0.337 174.162 174.700 -0.336 0.000 1.031 119 T CA -0.405 61.607 62.100 -0.146 0.000 0.925 119 T CB -0.373 68.492 68.868 -0.005 0.000 1.036 119 T HN 0.559 nan 8.240 nan 0.000 0.544 120 D N 0.125 120.191 120.400 -0.557 0.000 2.419 120 D HA 0.365 5.005 4.640 0.001 0.000 0.234 120 D C -0.968 174.877 176.300 -0.758 0.000 1.014 120 D CA -1.348 52.393 54.000 -0.432 0.000 0.919 120 D CB 0.812 41.565 40.800 -0.079 0.000 1.366 120 D HN 0.173 nan 8.370 nan 0.000 0.490 121 Y N -0.833 119.557 120.300 0.149 0.000 2.712 121 Y HA 0.144 4.694 4.550 0.001 0.000 0.250 121 Y C 0.842 176.836 175.900 0.156 0.000 1.101 121 Y CA -0.598 57.585 58.100 0.138 0.000 1.118 121 Y CB 0.196 38.637 38.460 -0.031 0.000 1.203 121 Y HN 0.614 nan 8.280 nan 0.000 0.587 122 H N -2.105 117.119 119.070 0.257 0.000 2.586 122 H HA 0.022 4.578 4.556 0.001 0.000 0.273 122 H C 1.309 176.721 175.328 0.139 0.000 0.997 122 H CA 0.274 56.446 56.048 0.206 0.000 1.177 122 H CB -0.395 29.475 29.762 0.180 0.000 1.471 122 H HN 0.567 nan 8.280 nan 0.000 0.538 123 Y N 1.410 121.690 120.300 -0.034 0.000 2.224 123 Y HA -0.133 4.417 4.550 0.001 0.000 0.289 123 Y C 2.564 178.521 175.900 0.094 0.000 1.146 123 Y CA 1.262 59.363 58.100 0.002 0.000 1.182 123 Y CB -0.551 37.873 38.460 -0.061 0.000 0.983 123 Y HN 0.182 nan 8.280 nan 0.000 0.524 124 Q N 0.540 120.087 119.800 -0.421 0.000 2.084 124 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 124 Q C 2.225 178.197 176.000 -0.047 0.000 0.978 124 Q CA 1.746 57.457 55.803 -0.154 0.000 0.844 124 Q CB -0.216 28.325 28.738 -0.328 0.000 0.898 124 Q HN 0.598 nan 8.270 nan 0.000 0.426 125 L N 1.135 122.355 121.223 -0.005 0.000 2.017 125 L HA -0.184 4.156 4.340 0.001 0.000 0.208 125 L C 2.009 178.820 176.870 -0.099 0.000 1.073 125 L CA 1.900 56.702 54.840 -0.063 0.000 0.745 125 L CB -0.455 41.705 42.059 0.168 0.000 0.894 125 L HN 0.178 nan 8.230 nan 0.000 0.432 126 E N -0.450 119.770 120.200 0.033 0.000 2.110 126 E HA -0.226 4.124 4.350 0.001 0.000 0.193 126 E C 2.200 178.775 176.600 -0.042 0.000 0.988 126 E CA 1.791 58.213 56.400 0.037 0.000 0.804 126 E CB -0.385 29.403 29.700 0.147 0.000 0.745 126 E HN 0.605 nan 8.360 nan 0.000 0.458 127 M N 0.240 119.820 119.600 -0.034 0.000 2.086 127 M HA -0.106 4.375 4.480 0.001 0.000 0.261 127 M C 2.411 178.465 176.300 -0.409 0.000 1.067 127 M CA 1.583 56.823 55.300 -0.100 0.000 1.116 127 M CB -0.348 32.324 32.600 0.119 0.000 1.348 127 M HN 0.048 nan 8.290 nan 0.000 0.407 128 A N 0.561 123.003 122.820 -0.629 0.000 1.978 128 A HA -0.183 4.138 4.320 0.001 0.000 0.220 128 A C 2.057 179.330 177.584 -0.518 0.000 1.170 128 A CA 1.676 53.150 52.037 -0.939 0.000 0.636 128 A CB -0.604 17.653 19.000 -1.238 0.000 0.810 128 A HN 0.452 nan 8.150 nan 0.000 0.448 129 K N -0.021 120.186 120.400 -0.323 0.000 2.281 129 K HA -0.101 4.220 4.320 0.001 0.000 0.203 129 K C 1.225 177.711 176.600 -0.190 0.000 1.046 129 K CA 1.168 57.345 56.287 -0.183 0.000 0.938 129 K CB -0.189 32.252 32.500 -0.100 0.000 0.737 129 K HN 0.491 nan 8.250 nan 0.000 0.458 130 N N 1.086 119.644 118.700 -0.236 0.000 2.457 130 N HA -0.053 4.687 4.740 0.001 0.000 0.180 130 N C 1.361 176.682 175.510 -0.315 0.000 1.050 130 N CA 0.995 53.913 53.050 -0.220 0.000 0.906 130 N CB 0.315 38.698 38.487 -0.174 0.000 0.968 130 N HN 0.390 nan 8.380 nan 0.000 0.445 131 I N -2.559 117.785 120.570 -0.376 0.000 3.994 131 I HA 0.263 4.433 4.170 0.001 0.000 0.323 131 I C -0.343 175.570 176.117 -0.339 0.000 1.501 131 I CA -0.472 60.550 61.300 -0.462 0.000 1.112 131 I CB 0.566 38.343 38.000 -0.373 0.000 1.254 131 I HN -0.242 nan 8.210 nan 0.000 0.495 132 T N -2.908 111.530 114.554 -0.194 0.000 2.887 132 T HA 0.753 5.103 4.350 0.001 0.000 0.292 132 T C 0.636 175.436 174.700 0.166 0.000 1.087 132 T CA -0.089 62.047 62.100 0.060 0.000 1.009 132 T CB 2.383 71.263 68.868 0.020 0.000 1.203 132 T HN 0.015 nan 8.240 nan 0.000 0.518 133 A N 0.202 123.139 122.820 0.194 0.000 2.132 133 A HA 0.755 5.075 4.320 0.001 0.000 0.213 133 A C 1.096 178.714 177.584 0.057 0.000 1.154 133 A CA 0.614 52.731 52.037 0.133 0.000 0.753 133 A CB -0.564 18.467 19.000 0.052 0.000 0.826 133 A HN 1.590 nan 8.150 nan 0.000 0.469 134 A N -1.602 121.246 122.820 0.045 0.000 2.604 134 A HA 0.736 5.056 4.320 0.001 0.000 0.295 134 A C -0.847 176.795 177.584 0.097 0.000 1.067 134 A CA 0.116 52.185 52.037 0.053 0.000 0.683 134 A CB 0.748 19.708 19.000 -0.066 0.000 1.281 134 A HN 1.617 nan 8.150 nan 0.000 0.407 135 A N 1.598 124.502 122.820 0.140 0.000 2.466 135 A HA 0.729 5.049 4.320 0.001 0.000 0.284 135 A C -1.302 176.406 177.584 0.207 0.000 1.049 135 A CA -0.372 51.797 52.037 0.220 0.000 0.760 135 A CB 1.154 20.233 19.000 0.132 0.000 1.274 135 A HN 0.636 nan 8.150 nan 0.000 0.412 136 E N 0.793 121.114 120.200 0.202 0.000 2.293 136 E HA 0.668 5.018 4.350 0.001 0.000 0.270 136 E C -0.716 175.891 176.600 0.012 0.000 0.879 136 E CA -0.599 55.854 56.400 0.087 0.000 0.756 136 E CB 2.466 32.195 29.700 0.049 0.000 1.208 136 E HN 0.905 nan 8.360 nan 0.000 0.428 137 A N 3.264 126.037 122.820 -0.079 0.000 2.304 137 A HA 0.699 5.019 4.320 0.001 0.000 0.323 137 A C -0.316 176.960 177.584 -0.513 0.000 1.195 137 A CA -0.632 51.224 52.037 -0.302 0.000 0.826 137 A CB 0.374 19.159 19.000 -0.358 0.000 1.184 137 A HN 0.550 nan 8.150 nan 0.000 0.496 138 I N 2.622 122.883 120.570 -0.514 0.000 2.354 138 I HA 0.267 4.438 4.170 0.001 0.000 0.286 138 I C -0.502 175.356 176.117 -0.431 0.000 1.007 138 I CA -0.127 60.937 61.300 -0.394 0.000 1.167 138 I CB 1.068 38.940 38.000 -0.213 0.000 1.320 138 I HN 0.806 nan 8.210 nan 0.000 0.458 139 Y N 3.020 123.282 120.300 -0.064 0.000 2.498 139 Y HA 0.117 4.667 4.550 0.001 0.000 0.259 139 Y C 1.347 177.220 175.900 -0.046 0.000 1.086 139 Y CA -0.278 57.780 58.100 -0.071 0.000 1.287 139 Y CB 0.411 38.787 38.460 -0.140 0.000 1.146 139 Y HN 0.520 nan 8.280 nan 0.000 0.523 140 T N -3.806 110.790 114.554 0.070 0.000 2.906 140 T HA 0.361 4.711 4.350 0.001 0.000 0.295 140 T C -2.446 172.246 174.700 -0.014 0.000 1.061 140 T CA -2.406 59.713 62.100 0.032 0.000 1.000 140 T CB 2.636 71.521 68.868 0.029 0.000 1.103 140 T HN -0.353 nan 8.240 nan 0.000 0.486 141 P HA -0.005 nan 4.420 nan 0.000 0.217 141 P C 1.051 178.312 177.300 -0.066 0.000 1.150 141 P CA 0.976 64.053 63.100 -0.038 0.000 0.832 141 P CB 0.104 31.794 31.700 -0.016 0.000 0.787 142 E N -0.060 120.111 120.200 -0.049 0.000 2.153 142 E HA -0.163 4.187 4.350 0.001 0.000 0.194 142 E C 1.739 178.287 176.600 -0.086 0.000 0.988 142 E CA 1.027 57.391 56.400 -0.060 0.000 0.811 142 E CB -0.665 29.013 29.700 -0.036 0.000 0.746 142 E HN 0.453 nan 8.360 nan 0.000 0.466 143 E N 0.022 120.174 120.200 -0.080 0.000 2.435 143 E HA 0.040 4.390 4.350 0.001 0.000 0.195 143 E C 1.857 178.377 176.600 -0.134 0.000 1.029 143 E CA 0.423 56.769 56.400 -0.090 0.000 0.865 143 E CB 0.070 29.730 29.700 -0.066 0.000 0.833 143 E HN 0.257 nan 8.360 nan 0.000 0.510 144 A N 2.368 125.089 122.820 -0.166 0.000 1.865 144 A HA -0.126 4.195 4.320 0.001 0.000 0.217 144 A C -0.290 177.098 177.584 -0.327 0.000 1.191 144 A CA 1.233 53.140 52.037 -0.216 0.000 0.623 144 A CB -1.468 17.406 19.000 -0.210 0.000 0.826 144 A HN 0.119 nan 8.150 nan 0.000 0.444 145 P HA -0.166 nan 4.420 nan 0.000 0.215 145 P C 1.751 178.897 177.300 -0.257 0.000 1.157 145 P CA 2.172 64.814 63.100 -0.763 0.000 0.874 145 P CB -0.162 31.138 31.700 -0.666 0.000 0.790 146 A N -0.464 122.263 122.820 -0.155 0.000 1.898 146 A HA -0.205 4.115 4.320 0.001 0.000 0.216 146 A C 2.114 179.689 177.584 -0.016 0.000 1.181 146 A CA 1.816 53.817 52.037 -0.059 0.000 0.620 146 A CB -1.031 17.931 19.000 -0.064 0.000 0.819 146 A HN 0.132 nan 8.150 nan 0.000 0.442 147 K N -0.455 119.917 120.400 -0.047 0.000 2.103 147 K HA 0.057 4.377 4.320 0.001 0.000 0.204 147 K C 1.746 178.363 176.600 0.028 0.000 1.052 147 K CA 1.250 57.537 56.287 0.001 0.000 0.945 147 K CB -0.290 32.180 32.500 -0.049 0.000 0.722 147 K HN 0.518 nan 8.250 nan 0.000 0.443 148 I N 1.508 122.070 120.570 -0.013 0.000 2.179 148 I HA -0.304 3.867 4.170 0.001 0.000 0.242 148 I C 1.606 177.758 176.117 0.058 0.000 1.088 148 I CA 1.284 62.601 61.300 0.027 0.000 1.357 148 I CB -0.293 37.755 38.000 0.080 0.000 1.051 148 I HN 0.150 nan 8.210 nan 0.000 0.409 149 D N -0.388 120.068 120.400 0.094 0.000 2.117 149 D HA -0.239 4.402 4.640 0.001 0.000 0.197 149 D C 1.983 178.308 176.300 0.042 0.000 0.987 149 D CA 1.498 55.541 54.000 0.071 0.000 0.829 149 D CB -0.478 40.377 40.800 0.091 0.000 0.961 149 D HN 0.442 nan 8.370 nan 0.000 0.460 150 H N 0.855 119.913 119.070 -0.019 0.000 2.321 150 H HA -0.104 4.453 4.556 0.001 0.000 0.300 150 H C 2.007 177.320 175.328 -0.025 0.000 1.087 150 H CA 2.519 58.553 56.048 -0.023 0.000 1.319 150 H CB -0.264 29.485 29.762 -0.022 0.000 1.379 150 H HN 0.058 nan 8.280 nan 0.000 0.501 151 V N -1.043 118.774 119.914 -0.162 0.000 2.427 151 V HA -0.122 3.999 4.120 0.001 0.000 0.248 151 V C 2.446 178.437 176.094 -0.172 0.000 1.051 151 V CA 1.853 64.027 62.300 -0.210 0.000 1.048 151 V CB -0.798 30.987 31.823 -0.064 0.000 0.666 151 V HN 0.448 nan 8.190 nan 0.000 0.456 152 I N 0.022 120.518 120.570 -0.122 0.000 2.202 152 I HA -0.179 3.992 4.170 0.001 0.000 0.242 152 I C 2.888 178.898 176.117 -0.178 0.000 1.091 152 I CA 1.924 63.145 61.300 -0.131 0.000 1.368 152 I CB -0.411 37.521 38.000 -0.113 0.000 1.058 152 I HN 0.266 nan 8.210 nan 0.000 0.410 153 K N 0.183 120.478 120.400 -0.174 0.000 2.057 153 K HA -0.143 4.178 4.320 0.001 0.000 0.207 153 K C 2.126 178.626 176.600 -0.168 0.000 1.049 153 K CA 1.880 58.062 56.287 -0.175 0.000 0.931 153 K CB -0.284 32.149 32.500 -0.112 0.000 0.714 153 K HN 0.306 nan 8.250 nan 0.000 0.440 154 T N 1.152 115.578 114.554 -0.215 0.000 2.708 154 T HA -0.174 4.177 4.350 0.001 0.000 0.266 154 T C 1.970 176.588 174.700 -0.137 0.000 1.037 154 T CA 1.463 63.446 62.100 -0.196 0.000 1.146 154 T CB -0.295 68.387 68.868 -0.310 0.000 0.865 154 T HN 0.336 nan 8.240 nan 0.000 0.435 155 A N 1.383 124.122 122.820 -0.135 0.000 1.892 155 A HA -0.063 4.257 4.320 0.001 0.000 0.218 155 A C 2.334 179.862 177.584 -0.094 0.000 1.188 155 A CA 1.445 53.424 52.037 -0.097 0.000 0.631 155 A CB -0.972 17.980 19.000 -0.079 0.000 0.822 155 A HN 0.489 nan 8.150 nan 0.000 0.447 156 L N -1.393 119.757 121.223 -0.123 0.000 2.083 156 L HA -0.167 4.174 4.340 0.001 0.000 0.209 156 L C 2.843 179.672 176.870 -0.068 0.000 1.083 156 L CA 1.763 56.535 54.840 -0.113 0.000 0.752 156 L CB -0.479 41.436 42.059 -0.241 0.000 0.899 156 L HN 0.482 nan 8.230 nan 0.000 0.433 157 R N 0.092 120.548 120.500 -0.074 0.000 2.062 157 R HA -0.114 4.227 4.340 0.001 0.000 0.229 157 R C 2.035 178.316 176.300 -0.032 0.000 1.128 157 R CA 1.138 57.216 56.100 -0.036 0.000 0.960 157 R CB 0.126 30.409 30.300 -0.030 0.000 0.855 157 R HN 0.274 nan 8.270 nan 0.000 0.432 158 E N 0.782 120.949 120.200 -0.056 0.000 2.371 158 E HA -0.036 4.315 4.350 0.001 0.000 0.194 158 E C -0.079 176.465 176.600 -0.094 0.000 1.012 158 E CA 0.220 56.579 56.400 -0.068 0.000 0.860 158 E CB 0.308 29.959 29.700 -0.082 0.000 0.811 158 E HN 0.129 nan 8.360 nan 0.000 0.502 159 K N 1.164 121.513 120.400 -0.084 0.000 3.244 159 K HA -0.136 4.184 4.320 0.001 0.000 0.270 159 K C -0.305 176.207 176.600 -0.147 0.000 1.016 159 K CA 0.690 56.923 56.287 -0.089 0.000 0.754 159 K CB -1.284 31.171 32.500 -0.075 0.000 1.326 159 K HN 0.084 nan 8.250 nan 0.000 0.465 160 K N -0.769 119.541 120.400 -0.149 0.000 2.512 160 K HA 0.532 4.853 4.320 0.001 0.000 0.263 160 K C -2.648 173.907 176.600 -0.075 0.000 0.966 160 K CA -2.161 54.001 56.287 -0.208 0.000 0.851 160 K CB 1.985 34.297 32.500 -0.313 0.000 1.395 160 K HN -0.191 nan 8.250 nan 0.000 0.440 161 P HA 0.223 nan 4.420 nan 0.000 0.274 161 P C -0.454 176.881 177.300 0.059 0.000 1.237 161 P CA -0.524 62.599 63.100 0.038 0.000 0.793 161 P CB 0.664 32.401 31.700 0.062 0.000 0.977 162 V N -1.513 118.434 119.914 0.056 0.000 3.160 162 V HA 0.676 4.796 4.120 0.001 0.000 0.310 162 V C -1.602 174.573 176.094 0.135 0.000 1.181 162 V CA -1.109 61.233 62.300 0.070 0.000 1.047 162 V CB 2.044 33.870 31.823 0.005 0.000 1.068 162 V HN 0.528 nan 8.190 nan 0.000 0.441 163 Y N 1.339 121.641 120.300 0.002 0.000 2.425 163 Y HA 0.835 5.385 4.550 0.001 0.000 0.344 163 Y C -1.387 174.526 175.900 0.021 0.000 0.969 163 Y CA -1.009 57.107 58.100 0.027 0.000 1.052 163 Y CB 1.915 40.391 38.460 0.027 0.000 1.215 163 Y HN 0.860 nan 8.280 nan 0.000 0.451 164 L N 6.406 127.273 121.223 -0.593 0.000 2.410 164 L HA 0.460 4.800 4.340 0.001 0.000 0.270 164 L C -1.328 175.094 176.870 -0.747 0.000 0.983 164 L CA -0.763 53.776 54.840 -0.502 0.000 0.822 164 L CB 2.312 44.226 42.059 -0.242 0.000 1.285 164 L HN 0.798 nan 8.230 nan 0.000 0.409 165 E N 4.294 124.177 120.200 -0.529 0.000 2.238 165 E HA 0.712 5.062 4.350 0.001 0.000 0.267 165 E C -1.353 175.125 176.600 -0.203 0.000 0.887 165 E CA -0.819 55.395 56.400 -0.309 0.000 0.769 165 E CB 2.811 32.452 29.700 -0.099 0.000 1.187 165 E HN 0.454 nan 8.360 nan 0.000 0.416 166 I N 1.927 122.421 120.570 -0.127 0.000 2.478 166 I HA 0.386 4.557 4.170 0.001 0.000 0.287 166 I C -0.125 175.969 176.117 -0.038 0.000 1.042 166 I CA -1.164 60.077 61.300 -0.098 0.000 1.067 166 I CB 1.941 39.899 38.000 -0.070 0.000 1.233 166 I HN 0.778 nan 8.210 nan 0.000 0.431 167 A N 4.242 127.053 122.820 -0.015 0.000 2.567 167 A HA -0.009 4.312 4.320 0.001 0.000 0.240 167 A C 1.467 179.081 177.584 0.051 0.000 1.053 167 A CA 0.117 52.184 52.037 0.050 0.000 0.755 167 A CB -0.001 19.077 19.000 0.130 0.000 0.978 167 A HN 1.129 nan 8.150 nan 0.000 0.507 168 C N 1.884 121.231 119.300 0.078 0.000 2.419 168 C HA -0.081 4.379 4.460 0.001 0.000 0.281 168 C C 1.695 176.735 174.990 0.083 0.000 1.336 168 C CA 0.853 59.940 59.018 0.114 0.000 1.770 168 C CB -1.315 26.560 27.740 0.226 0.000 1.929 168 C HN 0.902 nan 8.230 nan 0.000 0.509 169 N N 2.293 121.038 118.700 0.074 0.000 2.322 169 N HA 0.036 4.777 4.740 0.001 0.000 0.194 169 N C 1.072 176.609 175.510 0.046 0.000 1.126 169 N CA 0.788 53.873 53.050 0.057 0.000 0.845 169 N CB -0.685 37.836 38.487 0.057 0.000 0.976 169 N HN 0.865 nan 8.380 nan 0.000 0.475 170 I N -4.954 115.641 120.570 0.042 0.000 4.154 170 I HA 0.482 4.652 4.170 0.001 0.000 0.334 170 I C 1.606 177.736 176.117 0.021 0.000 1.371 170 I CA -0.374 60.944 61.300 0.029 0.000 1.110 170 I CB 0.275 38.289 38.000 0.024 0.000 1.085 170 I HN -0.056 nan 8.210 nan 0.000 0.398 171 A N 1.127 123.962 122.820 0.025 0.000 2.019 171 A HA -0.083 4.238 4.320 0.001 0.000 0.219 171 A C 2.273 179.875 177.584 0.029 0.000 1.164 171 A CA 2.015 54.066 52.037 0.024 0.000 0.644 171 A CB -0.560 18.457 19.000 0.028 0.000 0.805 171 A HN 0.469 nan 8.150 nan 0.000 0.449 172 S N -0.775 114.942 115.700 0.028 0.000 2.556 172 S HA 0.315 4.785 4.470 0.001 0.000 0.216 172 S C 0.592 175.208 174.600 0.026 0.000 0.970 172 S CA -0.211 58.005 58.200 0.026 0.000 0.912 172 S CB -0.250 62.963 63.200 0.022 0.000 0.790 172 S HN 0.517 nan 8.310 nan 0.000 0.504 173 M N 2.553 122.169 119.600 0.025 0.000 2.250 173 M HA 0.303 4.783 4.480 0.001 0.000 0.344 173 M C -2.569 173.749 176.300 0.030 0.000 1.150 173 M CA -2.070 53.244 55.300 0.023 0.000 1.147 173 M CB 0.290 32.901 32.600 0.018 0.000 1.498 173 M HN -0.195 nan 8.290 nan 0.000 0.461 174 P HA 0.112 nan 4.420 nan 0.000 0.268 174 P C -1.043 176.279 177.300 0.037 0.000 1.205 174 P CA -0.440 62.687 63.100 0.045 0.000 0.771 174 P CB 0.398 32.120 31.700 0.036 0.000 0.858 175 C N 0.003 119.340 119.300 0.061 0.000 3.336 175 C HA 0.874 5.334 4.460 0.001 0.000 0.339 175 C C 0.144 175.175 174.990 0.069 0.000 1.468 175 C CA -1.120 57.909 59.018 0.019 0.000 1.287 175 C CB 0.961 28.664 27.740 -0.062 0.000 1.682 175 C HN 0.671 nan 8.230 nan 0.000 0.451 176 A N 0.699 123.531 122.820 0.020 0.000 2.492 176 A HA 0.536 4.857 4.320 0.001 0.000 0.236 176 A C 0.630 178.315 177.584 0.169 0.000 1.078 176 A CA 0.589 52.668 52.037 0.070 0.000 0.773 176 A CB -0.518 18.498 19.000 0.027 0.000 1.023 176 A HN 2.436 nan 8.150 nan 0.000 0.504 177 A N 1.642 124.528 122.820 0.111 0.000 2.302 177 A HA 0.686 5.006 4.320 0.001 0.000 0.285 177 A C -2.408 175.086 177.584 -0.151 0.000 1.105 177 A CA -1.514 50.452 52.037 -0.118 0.000 0.816 177 A CB -0.251 18.738 19.000 -0.019 0.000 1.067 177 A HN 0.654 nan 8.150 nan 0.000 0.489 178 P HA 0.379 nan 4.420 nan 0.000 0.279 178 P C 0.465 177.603 177.300 -0.269 0.000 1.239 178 P CA 0.049 62.831 63.100 -0.529 0.000 0.789 178 P CB 1.063 32.190 31.700 -0.955 0.000 0.933 179 G N 2.830 111.544 108.800 -0.143 0.000 2.508 179 G HA2 0.406 4.366 3.960 0.001 0.000 0.278 179 G HA3 0.406 4.366 3.960 0.001 0.000 0.278 179 G C -2.390 172.460 174.900 -0.083 0.000 1.389 179 G CA -1.243 43.808 45.100 -0.082 0.000 1.050 179 G HN 0.331 nan 8.290 nan 0.000 0.522 180 P HA 0.224 nan 4.420 nan 0.000 0.267 180 P C 0.632 177.927 177.300 -0.010 0.000 1.200 180 P CA 0.410 63.497 63.100 -0.023 0.000 0.772 180 P CB 0.993 32.690 31.700 -0.005 0.000 0.855 181 A N 2.584 125.413 122.820 0.014 0.000 1.933 181 A HA -0.191 4.130 4.320 0.001 0.000 0.218 181 A C 2.133 179.814 177.584 0.163 0.000 1.175 181 A CA 2.132 54.213 52.037 0.074 0.000 0.628 181 A CB -1.702 17.361 19.000 0.105 0.000 0.814 181 A HN 0.625 nan 8.150 nan 0.000 0.444 182 S N 0.379 116.152 115.700 0.121 0.000 2.420 182 S HA -0.086 4.385 4.470 0.001 0.000 0.237 182 S C 1.976 176.661 174.600 0.141 0.000 1.023 182 S CA 1.348 59.635 58.200 0.145 0.000 0.991 182 S CB -0.739 62.495 63.200 0.057 0.000 0.792 182 S HN 0.965 nan 8.310 nan 0.000 0.488 183 A N 1.880 124.743 122.820 0.072 0.000 2.019 183 A HA 0.134 4.454 4.320 0.001 0.000 0.219 183 A C 2.226 179.812 177.584 0.004 0.000 1.164 183 A CA 1.310 53.367 52.037 0.034 0.000 0.644 183 A CB -0.751 18.254 19.000 0.009 0.000 0.805 183 A HN 0.582 nan 8.150 nan 0.000 0.449 184 L N -2.516 118.686 121.223 -0.035 0.000 2.313 184 L HA -0.016 4.324 4.340 0.001 0.000 0.214 184 L C 1.708 178.361 176.870 -0.361 0.000 1.119 184 L CA 0.745 55.446 54.840 -0.232 0.000 0.809 184 L CB -0.303 41.528 42.059 -0.381 0.000 0.933 184 L HN 0.388 nan 8.230 nan 0.000 0.449 185 F N -1.099 118.834 119.950 -0.029 0.000 2.749 185 F HA 0.120 4.647 4.527 0.001 0.000 0.300 185 F C 1.063 176.845 175.800 -0.031 0.000 1.103 185 F CA -0.721 57.259 58.000 -0.034 0.000 1.342 185 F CB -0.300 38.676 39.000 -0.039 0.000 1.098 185 F HN -0.022 nan 8.300 nan 0.000 0.586 186 N N 1.871 120.639 118.700 0.113 0.000 2.365 186 N HA -0.005 4.736 4.740 0.001 0.000 0.265 186 N C -0.908 174.629 175.510 0.045 0.000 1.288 186 N CA 0.647 53.738 53.050 0.067 0.000 0.869 186 N CB 0.080 38.593 38.487 0.044 0.000 1.071 186 N HN 0.069 nan 8.380 nan 0.000 0.480 187 D N 0.575 121.002 120.400 0.046 0.000 2.596 187 D HA 0.157 4.797 4.640 0.001 0.000 0.234 187 D C -1.019 175.324 176.300 0.071 0.000 1.181 187 D CA -0.624 53.406 54.000 0.051 0.000 0.856 187 D CB 1.058 41.881 40.800 0.037 0.000 1.498 187 D HN 0.591 nan 8.370 nan 0.000 0.446 188 E N 0.655 120.919 120.200 0.108 0.000 2.415 188 E HA 0.453 4.803 4.350 0.001 0.000 0.262 188 E C -0.522 176.210 176.600 0.220 0.000 1.038 188 E CA -0.701 55.775 56.400 0.125 0.000 0.921 188 E CB 0.855 30.612 29.700 0.095 0.000 0.950 188 E HN 0.348 nan 8.360 nan 0.000 0.438 189 A N 2.955 125.868 122.820 0.154 0.000 2.257 189 A HA 0.301 4.622 4.320 0.001 0.000 0.289 189 A C 0.052 177.749 177.584 0.188 0.000 1.095 189 A CA -0.646 51.499 52.037 0.179 0.000 0.836 189 A CB 0.750 19.804 19.000 0.089 0.000 1.111 189 A HN 0.650 nan 8.150 nan 0.000 0.497 190 S N 0.222 116.050 115.700 0.213 0.000 2.560 190 S HA 0.113 4.584 4.470 0.001 0.000 0.284 190 S C 0.044 174.660 174.600 0.027 0.000 1.327 190 S CA 0.067 58.303 58.200 0.060 0.000 1.055 190 S CB 0.226 63.475 63.200 0.082 0.000 0.868 190 S HN 0.729 nan 8.310 nan 0.000 0.506 191 D N 1.250 121.645 120.400 -0.007 0.000 2.401 191 D HA 0.074 4.715 4.640 0.001 0.000 0.254 191 D C 1.032 177.340 176.300 0.013 0.000 1.192 191 D CA -0.005 54.000 54.000 0.008 0.000 0.885 191 D CB 0.693 41.498 40.800 0.007 0.000 1.147 191 D HN 0.501 nan 8.370 nan 0.000 0.478 192 E N 3.664 123.874 120.200 0.017 0.000 2.058 192 E HA -0.213 4.137 4.350 0.001 0.000 0.194 192 E C 1.797 178.402 176.600 0.008 0.000 0.997 192 E CA 1.858 58.266 56.400 0.013 0.000 0.801 192 E CB -0.329 29.378 29.700 0.013 0.000 0.746 192 E HN 0.583 nan 8.360 nan 0.000 0.450 193 A N -0.275 122.555 122.820 0.016 0.000 1.902 193 A HA -0.170 4.151 4.320 0.001 0.000 0.217 193 A C 2.439 180.038 177.584 0.026 0.000 1.181 193 A CA 1.988 54.039 52.037 0.023 0.000 0.623 193 A CB -0.712 18.309 19.000 0.035 0.000 0.818 193 A HN 0.292 nan 8.150 nan 0.000 0.443 194 S N -0.533 115.192 115.700 0.042 0.000 2.368 194 S HA -0.116 4.354 4.470 0.001 0.000 0.224 194 S C 1.877 176.428 174.600 -0.082 0.000 1.029 194 S CA 1.324 59.564 58.200 0.067 0.000 0.988 194 S CB -0.453 62.813 63.200 0.110 0.000 0.838 194 S HN 0.524 nan 8.310 nan 0.000 0.462 195 L N 3.052 124.246 121.223 -0.047 0.000 1.989 195 L HA -0.109 4.232 4.340 0.001 0.000 0.211 195 L C 1.710 178.530 176.870 -0.083 0.000 1.071 195 L CA 1.827 56.638 54.840 -0.048 0.000 0.749 195 L CB -1.043 41.016 42.059 0.000 0.000 0.890 195 L HN 0.153 nan 8.230 nan 0.000 0.431 196 N N 0.209 118.869 118.700 -0.067 0.000 2.120 196 N HA -0.143 4.597 4.740 0.001 0.000 0.188 196 N C 1.817 177.255 175.510 -0.120 0.000 1.024 196 N CA 1.673 54.682 53.050 -0.068 0.000 0.852 196 N CB -0.482 37.986 38.487 -0.033 0.000 1.003 196 N HN 0.559 nan 8.380 nan 0.000 0.424 197 A N 1.032 123.754 122.820 -0.164 0.000 1.930 197 A HA 0.057 4.377 4.320 0.001 0.000 0.217 197 A C 2.386 179.611 177.584 -0.597 0.000 1.175 197 A CA 1.810 53.711 52.037 -0.227 0.000 0.627 197 A CB -0.723 18.261 19.000 -0.027 0.000 0.815 197 A HN 0.319 nan 8.150 nan 0.000 0.443 198 A N -0.538 121.704 122.820 -0.964 0.000 1.902 198 A HA -0.002 4.319 4.320 0.001 0.000 0.217 198 A C 2.231 179.676 177.584 -0.231 0.000 1.181 198 A CA 1.787 53.225 52.037 -0.999 0.000 0.623 198 A CB -0.923 17.632 19.000 -0.742 0.000 0.818 198 A HN 0.373 nan 8.150 nan 0.000 0.443 199 V N 0.028 119.883 119.914 -0.099 0.000 2.295 199 V HA -0.220 3.900 4.120 0.001 0.000 0.246 199 V C 2.621 178.689 176.094 -0.043 0.000 1.049 199 V CA 2.143 64.412 62.300 -0.053 0.000 1.024 199 V CB -0.644 31.119 31.823 -0.100 0.000 0.648 199 V HN 0.577 nan 8.190 nan 0.000 0.447 200 E N -0.167 119.998 120.200 -0.059 0.000 2.077 200 E HA -0.202 4.149 4.350 0.001 0.000 0.193 200 E C 2.302 178.917 176.600 0.026 0.000 0.989 200 E CA 1.005 57.396 56.400 -0.014 0.000 0.800 200 E CB -0.046 29.646 29.700 -0.013 0.000 0.746 200 E HN 0.567 nan 8.360 nan 0.000 0.452 201 E N -0.189 120.020 120.200 0.015 0.000 2.150 201 E HA -0.101 4.249 4.350 0.001 0.000 0.193 201 E C 2.052 178.734 176.600 0.138 0.000 0.985 201 E CA 0.930 57.389 56.400 0.099 0.000 0.814 201 E CB -0.267 29.529 29.700 0.160 0.000 0.752 201 E HN 0.238 nan 8.360 nan 0.000 0.466 202 T N 1.841 116.460 114.554 0.108 0.000 2.777 202 T HA -0.055 4.296 4.350 0.001 0.000 0.266 202 T C 2.150 176.960 174.700 0.184 0.000 1.040 202 T CA 0.675 62.872 62.100 0.163 0.000 1.141 202 T CB -0.173 68.784 68.868 0.148 0.000 0.868 202 T HN 0.096 nan 8.240 nan 0.000 0.444 203 L N 0.409 121.700 121.223 0.113 0.000 2.046 203 L HA -0.109 4.232 4.340 0.001 0.000 0.208 203 L C 2.648 179.582 176.870 0.105 0.000 1.077 203 L CA 1.445 56.342 54.840 0.095 0.000 0.747 203 L CB -0.493 41.599 42.059 0.054 0.000 0.896 203 L HN 0.207 nan 8.230 nan 0.000 0.432 204 K N -0.582 119.887 120.400 0.116 0.000 2.097 204 K HA -0.202 4.118 4.320 0.001 0.000 0.206 204 K C 2.008 178.693 176.600 0.142 0.000 1.049 204 K CA 1.458 57.812 56.287 0.111 0.000 0.933 204 K CB -0.213 32.356 32.500 0.114 0.000 0.717 204 K HN 0.080 nan 8.250 nan 0.000 0.442 205 F N 1.633 121.613 119.950 0.050 0.000 2.146 205 F HA -0.068 4.459 4.527 0.001 0.000 0.298 205 F C 1.654 177.481 175.800 0.045 0.000 1.096 205 F CA 1.101 59.132 58.000 0.051 0.000 1.275 205 F CB 0.049 39.087 39.000 0.064 0.000 1.008 205 F HN -0.053 nan 8.300 nan 0.000 0.480 206 I N -1.966 118.658 120.570 0.091 0.000 3.812 206 I HA 0.337 4.507 4.170 0.001 0.000 0.320 206 I C 1.882 177.984 176.117 -0.026 0.000 1.276 206 I CA 0.638 61.936 61.300 -0.004 0.000 1.164 206 I CB -0.861 37.208 38.000 0.116 0.000 1.009 206 I HN 0.055 nan 8.210 nan 0.000 0.431 207 A N 2.473 125.282 122.820 -0.019 0.000 1.873 207 A HA -0.183 4.137 4.320 0.001 0.000 0.218 207 A C 1.690 179.253 177.584 -0.036 0.000 1.193 207 A CA 1.782 53.811 52.037 -0.012 0.000 0.629 207 A CB -0.758 18.241 19.000 -0.000 0.000 0.826 207 A HN 0.682 nan 8.150 nan 0.000 0.447 208 N N -0.267 118.391 118.700 -0.071 0.000 2.453 208 N HA 0.192 4.933 4.740 0.001 0.000 0.270 208 N C -0.897 174.553 175.510 -0.102 0.000 1.195 208 N CA -0.061 52.946 53.050 -0.072 0.000 0.902 208 N CB 0.441 38.889 38.487 -0.064 0.000 1.186 208 N HN 0.327 nan 8.380 nan 0.000 0.510 209 R N 0.526 120.963 120.500 -0.105 0.000 2.487 209 R HA 0.089 4.429 4.340 0.001 0.000 0.288 209 R C -0.209 176.060 176.300 -0.053 0.000 1.394 209 R CA -0.392 55.642 56.100 -0.109 0.000 1.155 209 R CB 1.232 31.420 30.300 -0.187 0.000 1.156 209 R HN 0.038 nan 8.270 nan 0.000 0.553 210 D N 2.011 122.389 120.400 -0.037 0.000 2.149 210 D HA -0.080 4.560 4.640 0.001 0.000 0.201 210 D C -0.135 176.162 176.300 -0.005 0.000 0.972 210 D CA 1.208 55.200 54.000 -0.013 0.000 0.835 210 D CB 0.523 41.321 40.800 -0.004 0.000 0.966 210 D HN 0.165 nan 8.370 nan 0.000 0.476 211 K N 0.568 120.956 120.400 -0.019 0.000 2.127 211 K HA 0.233 4.554 4.320 0.001 0.000 0.261 211 K C -0.982 175.616 176.600 -0.004 0.000 1.129 211 K CA -0.267 56.010 56.287 -0.016 0.000 0.993 211 K CB 1.430 33.890 32.500 -0.067 0.000 1.410 211 K HN -0.054 nan 8.250 nan 0.000 0.380 212 V N 2.626 122.550 119.914 0.018 0.000 2.350 212 V HA 0.358 4.479 4.120 0.001 0.000 0.276 212 V C 0.137 176.251 176.094 0.032 0.000 1.028 212 V CA -0.843 61.482 62.300 0.042 0.000 0.860 212 V CB 1.194 33.052 31.823 0.060 0.000 0.990 212 V HN 0.691 nan 8.190 nan 0.000 0.453 213 A N 5.014 127.860 122.820 0.043 0.000 2.312 213 A HA 0.840 5.160 4.320 0.001 0.000 0.326 213 A C -0.574 177.038 177.584 0.046 0.000 1.172 213 A CA -0.539 51.511 52.037 0.023 0.000 0.821 213 A CB 1.426 20.437 19.000 0.018 0.000 1.166 213 A HN 0.627 nan 8.150 nan 0.000 0.493 214 V N 2.716 122.634 119.914 0.006 0.000 2.398 214 V HA 0.380 4.501 4.120 0.001 0.000 0.286 214 V C -0.640 175.445 176.094 -0.014 0.000 1.026 214 V CA -0.395 61.929 62.300 0.039 0.000 0.868 214 V CB 1.162 33.002 31.823 0.029 0.000 0.982 214 V HN 0.743 nan 8.190 nan 0.000 0.443 215 L N 6.801 128.044 121.223 0.034 0.000 2.294 215 L HA 0.564 4.905 4.340 0.001 0.000 0.283 215 L C -0.301 176.574 176.870 0.007 0.000 1.015 215 L CA 0.063 54.913 54.840 0.016 0.000 0.831 215 L CB 1.569 43.675 42.059 0.078 0.000 1.217 215 L HN 0.450 nan 8.230 nan 0.000 0.420 216 V N 5.430 125.327 119.914 -0.029 0.000 2.432 216 V HA 0.613 4.734 4.120 0.001 0.000 0.271 216 V C 0.976 177.055 176.094 -0.024 0.000 1.046 216 V CA 0.015 62.319 62.300 0.007 0.000 0.945 216 V CB 0.679 32.525 31.823 0.038 0.000 0.992 216 V HN 0.890 nan 8.190 nan 0.000 0.471 217 G N 2.682 111.475 108.800 -0.012 0.000 2.521 217 G HA2 0.435 4.395 3.960 0.001 0.000 0.323 217 G HA3 0.435 4.395 3.960 0.001 0.000 0.323 217 G C 0.829 175.732 174.900 0.005 0.000 1.211 217 G CA 0.163 45.211 45.100 -0.087 0.000 0.979 217 G HN 0.793 nan 8.290 nan 0.000 0.490 218 S N -1.278 114.375 115.700 -0.078 0.000 2.603 218 S HA 0.046 4.517 4.470 0.001 0.000 0.220 218 S C 1.303 176.026 174.600 0.203 0.000 0.967 218 S CA 0.372 58.579 58.200 0.011 0.000 0.920 218 S CB 0.067 63.171 63.200 -0.161 0.000 0.773 218 S HN 0.504 nan 8.310 nan 0.000 0.529 219 K N 0.247 120.702 120.400 0.091 0.000 2.387 219 K HA 0.348 4.668 4.320 0.001 0.000 0.198 219 K C 1.155 177.777 176.600 0.037 0.000 1.022 219 K CA -0.185 56.135 56.287 0.054 0.000 1.128 219 K CB 0.042 32.536 32.500 -0.011 0.000 0.853 219 K HN 0.176 nan 8.250 nan 0.000 0.523 220 L N 1.454 122.733 121.223 0.093 0.000 2.083 220 L HA -0.125 4.215 4.340 0.001 0.000 0.209 220 L C 2.299 179.080 176.870 -0.148 0.000 1.083 220 L CA 1.727 56.575 54.840 0.014 0.000 0.752 220 L CB -0.207 41.920 42.059 0.113 0.000 0.899 220 L HN 0.101 nan 8.230 nan 0.000 0.433 221 R N -0.812 119.466 120.500 -0.369 0.000 2.090 221 R HA -0.094 4.246 4.340 0.001 0.000 0.228 221 R C 2.160 178.341 176.300 -0.197 0.000 1.110 221 R CA 1.170 57.017 56.100 -0.421 0.000 0.973 221 R CB -0.328 29.541 30.300 -0.718 0.000 0.869 221 R HN 0.425 nan 8.270 nan 0.000 0.440 222 A N 0.698 123.444 122.820 -0.123 0.000 1.972 222 A HA -0.078 4.243 4.320 0.001 0.000 0.219 222 A C 2.189 179.739 177.584 -0.056 0.000 1.169 222 A CA 1.622 53.617 52.037 -0.070 0.000 0.635 222 A CB -0.576 18.395 19.000 -0.047 0.000 0.810 222 A HN 0.518 nan 8.150 nan 0.000 0.446 223 A N -1.499 121.291 122.820 -0.050 0.000 2.238 223 A HA 0.403 4.723 4.320 0.001 0.000 0.208 223 A C 1.762 179.320 177.584 -0.042 0.000 1.177 223 A CA 1.117 53.139 52.037 -0.025 0.000 0.804 223 A CB -1.082 17.917 19.000 -0.002 0.000 0.823 223 A HN 1.877 nan 8.150 nan 0.000 0.482 224 G N -1.682 107.074 108.800 -0.074 0.000 2.305 224 G HA2 -0.019 3.941 3.960 0.001 0.000 0.287 224 G HA3 -0.019 3.941 3.960 0.001 0.000 0.287 224 G C 0.620 175.481 174.900 -0.065 0.000 1.036 224 G CA 0.447 45.499 45.100 -0.081 0.000 0.887 224 G HN 1.573 nan 8.290 nan 0.000 0.505 225 A N -1.139 121.648 122.820 -0.054 0.000 2.564 225 A HA 0.601 4.922 4.320 0.001 0.000 0.279 225 A C 1.438 179.020 177.584 -0.003 0.000 1.232 225 A CA 1.012 53.039 52.037 -0.015 0.000 0.950 225 A CB 0.192 19.202 19.000 0.017 0.000 1.138 225 A HN 0.492 nan 8.150 nan 0.000 0.526 226 E N 0.271 120.443 120.200 -0.047 0.000 2.051 226 E HA -0.234 4.117 4.350 0.001 0.000 0.192 226 E C 1.778 178.364 176.600 -0.023 0.000 0.991 226 E CA 1.466 57.845 56.400 -0.035 0.000 0.799 226 E CB -0.014 29.619 29.700 -0.111 0.000 0.748 226 E HN 0.792 nan 8.360 nan 0.000 0.449 227 E N 0.493 120.666 120.200 -0.044 0.000 2.077 227 E HA -0.191 4.160 4.350 0.001 0.000 0.193 227 E C 2.015 178.613 176.600 -0.003 0.000 0.989 227 E CA 0.955 57.329 56.400 -0.043 0.000 0.800 227 E CB -0.057 29.613 29.700 -0.050 0.000 0.746 227 E HN 0.219 nan 8.360 nan 0.000 0.452 228 A N 1.017 123.848 122.820 0.017 0.000 1.969 228 A HA -0.041 4.279 4.320 0.001 0.000 0.218 228 A C 2.329 179.985 177.584 0.120 0.000 1.169 228 A CA 1.514 53.581 52.037 0.048 0.000 0.635 228 A CB -0.562 18.456 19.000 0.031 0.000 0.810 228 A HN 0.406 nan 8.150 nan 0.000 0.445 229 A N -0.476 122.433 122.820 0.149 0.000 1.933 229 A HA 0.023 4.343 4.320 0.001 0.000 0.218 229 A C 2.183 179.976 177.584 0.348 0.000 1.175 229 A CA 1.727 53.936 52.037 0.286 0.000 0.628 229 A CB -0.755 18.434 19.000 0.315 0.000 0.814 229 A HN 0.369 nan 8.150 nan 0.000 0.444 230 V N 0.288 120.304 119.914 0.170 0.000 2.358 230 V HA -0.239 3.881 4.120 0.001 0.000 0.246 230 V C 2.413 178.558 176.094 0.087 0.000 1.047 230 V CA 2.141 64.478 62.300 0.062 0.000 1.035 230 V CB -0.655 31.076 31.823 -0.154 0.000 0.658 230 V HN 0.503 nan 8.190 nan 0.000 0.452 231 K N -0.460 119.985 120.400 0.076 0.000 2.063 231 K HA -0.206 4.114 4.320 0.001 0.000 0.208 231 K C 2.153 178.810 176.600 0.095 0.000 1.048 231 K CA 1.895 58.221 56.287 0.066 0.000 0.928 231 K CB -0.431 32.101 32.500 0.053 0.000 0.713 231 K HN 0.474 nan 8.250 nan 0.000 0.442 232 F N 1.770 121.724 119.950 0.006 0.000 2.134 232 F HA -0.147 4.380 4.527 0.001 0.000 0.299 232 F C 2.143 177.928 175.800 -0.024 0.000 1.097 232 F CA 1.367 59.355 58.000 -0.019 0.000 1.264 232 F CB -0.436 38.550 39.000 -0.023 0.000 1.001 232 F HN -0.050 nan 8.300 nan 0.000 0.479 233 A N -0.215 122.456 122.820 -0.249 0.000 1.968 233 A HA -0.097 4.223 4.320 0.001 0.000 0.217 233 A C 1.912 179.200 177.584 -0.494 0.000 1.169 233 A CA 1.561 53.332 52.037 -0.445 0.000 0.638 233 A CB -0.875 18.104 19.000 -0.035 0.000 0.812 233 A HN 0.413 nan 8.150 nan 0.000 0.446 234 D N 0.344 120.625 120.400 -0.197 0.000 2.117 234 D HA -0.053 4.588 4.640 0.001 0.000 0.197 234 D C 2.188 178.408 176.300 -0.134 0.000 0.987 234 D CA 1.524 55.478 54.000 -0.077 0.000 0.829 234 D CB -0.325 40.508 40.800 0.055 0.000 0.961 234 D HN 0.417 nan 8.370 nan 0.000 0.460 235 A N 0.368 123.091 122.820 -0.163 0.000 1.929 235 A HA -0.078 4.242 4.320 0.001 0.000 0.216 235 A C 2.141 179.601 177.584 -0.205 0.000 1.176 235 A CA 0.790 52.749 52.037 -0.130 0.000 0.628 235 A CB -0.583 18.377 19.000 -0.067 0.000 0.816 235 A HN 0.240 nan 8.150 nan 0.000 0.444 236 L N -0.699 120.279 121.223 -0.409 0.000 2.072 236 L HA 0.177 4.517 4.340 0.001 0.000 0.205 236 L C 1.724 178.426 176.870 -0.279 0.000 1.079 236 L CA 2.039 56.638 54.840 -0.402 0.000 0.752 236 L CB -0.532 41.093 42.059 -0.723 0.000 0.906 236 L HN 0.731 nan 8.230 nan 0.000 0.436 237 G N -1.402 107.165 108.800 -0.388 0.000 2.153 237 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 237 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 237 G C 0.645 175.490 174.900 -0.092 0.000 0.994 237 G CA 0.304 45.284 45.100 -0.199 0.000 0.698 237 G HN 0.868 nan 8.290 nan 0.000 0.521 238 G N -0.688 107.985 108.800 -0.213 0.000 2.535 238 G HA2 0.783 4.743 3.960 0.001 0.000 0.303 238 G HA3 0.783 4.743 3.960 0.001 0.000 0.303 238 G C 0.437 175.311 174.900 -0.043 0.000 1.237 238 G CA 0.216 45.264 45.100 -0.087 0.000 0.986 238 G HN 1.504 nan 8.290 nan 0.000 0.494 239 A N -0.969 121.838 122.820 -0.021 0.000 2.401 239 A HA 0.541 4.861 4.320 0.001 0.000 0.259 239 A C -0.269 177.238 177.584 -0.128 0.000 1.103 239 A CA -0.195 51.804 52.037 -0.063 0.000 0.789 239 A CB 0.606 19.564 19.000 -0.070 0.000 1.035 239 A HN 0.809 nan 8.150 nan 0.000 0.491 240 V N 1.919 121.722 119.914 -0.184 0.000 2.444 240 V HA 0.668 4.789 4.120 0.001 0.000 0.294 240 V C 0.381 176.293 176.094 -0.303 0.000 1.022 240 V CA -0.131 62.000 62.300 -0.280 0.000 0.850 240 V CB 1.148 32.653 31.823 -0.530 0.000 0.992 240 V HN 1.211 nan 8.190 nan 0.000 0.426 241 A N 3.263 125.935 122.820 -0.245 0.000 2.374 241 A HA 0.915 5.235 4.320 0.001 0.000 0.317 241 A C 0.091 177.614 177.584 -0.102 0.000 1.094 241 A CA -0.550 51.346 52.037 -0.235 0.000 0.765 241 A CB 1.636 20.514 19.000 -0.203 0.000 1.268 241 A HN 0.877 nan 8.150 nan 0.000 0.438 242 T N 0.255 114.796 114.554 -0.021 0.000 2.867 242 T HA 0.623 4.974 4.350 0.001 0.000 0.282 242 T C 0.317 174.936 174.700 -0.136 0.000 1.000 242 T CA -0.543 61.534 62.100 -0.038 0.000 1.042 242 T CB 0.515 69.395 68.868 0.020 0.000 0.973 242 T HN 0.544 nan 8.240 nan 0.000 0.465 243 M N 2.070 121.561 119.600 -0.183 0.000 2.232 243 M HA 0.341 4.821 4.480 0.001 0.000 0.321 243 M C 1.944 177.960 176.300 -0.473 0.000 1.101 243 M CA -0.536 54.587 55.300 -0.295 0.000 1.181 243 M CB 0.357 32.785 32.600 -0.288 0.000 1.432 243 M HN 0.946 nan 8.290 nan 0.000 0.457 244 A N 1.745 124.081 122.820 -0.807 0.000 1.884 244 A HA -0.182 4.138 4.320 0.001 0.000 0.219 244 A C 2.091 179.168 177.584 -0.845 0.000 1.197 244 A CA 2.461 53.835 52.037 -1.105 0.000 0.637 244 A CB -1.208 16.330 19.000 -2.437 0.000 0.827 244 A HN 0.960 nan 8.150 nan 0.000 0.450 245 A N -1.148 121.183 122.820 -0.814 0.000 2.209 245 A HA 0.405 4.725 4.320 0.001 0.000 0.212 245 A C 1.870 179.094 177.584 -0.600 0.000 1.158 245 A CA 1.352 53.012 52.037 -0.628 0.000 0.742 245 A CB -0.581 18.090 19.000 -0.548 0.000 0.790 245 A HN 1.140 nan 8.150 nan 0.000 0.472 246 A N -0.652 121.796 122.820 -0.619 0.000 2.379 246 A HA 0.352 4.673 4.320 0.001 0.000 0.236 246 A C 0.842 178.001 177.584 -0.707 0.000 1.272 246 A CA -0.165 51.353 52.037 -0.865 0.000 0.886 246 A CB -0.341 18.432 19.000 -0.378 0.000 0.962 246 A HN 0.266 nan 8.150 nan 0.000 0.504 247 K N 1.343 121.463 120.400 -0.466 0.000 2.466 247 K HA 0.145 4.465 4.320 0.001 0.000 0.278 247 K C 1.020 177.480 176.600 -0.234 0.000 1.048 247 K CA 1.284 57.419 56.287 -0.253 0.000 1.088 247 K CB -0.169 32.258 32.500 -0.121 0.000 0.884 247 K HN 1.070 nan 8.250 nan 0.000 0.478 248 S N 2.696 118.344 115.700 -0.086 0.000 2.765 248 S HA -0.153 4.317 4.470 0.001 0.000 0.266 248 S C 0.761 175.503 174.600 0.236 0.000 1.302 248 S CA 0.779 58.993 58.200 0.024 0.000 1.274 248 S CB -2.204 61.002 63.200 0.010 0.000 1.559 248 S HN 0.498 nan 8.310 nan 0.000 0.658 249 F N 1.031 120.956 119.950 -0.040 0.000 2.748 249 F HA 0.578 5.105 4.527 0.001 0.000 0.299 249 F C 0.832 176.665 175.800 0.056 0.000 1.154 249 F CA -0.318 57.680 58.000 -0.004 0.000 1.446 249 F CB -0.317 38.686 39.000 0.005 0.000 1.112 249 F HN 0.511 nan 8.300 nan 0.000 0.584 250 F N 0.449 120.413 119.950 0.024 0.000 2.578 250 F HA 0.520 5.047 4.527 0.001 0.000 0.311 250 F C -2.675 172.981 175.800 -0.239 0.000 1.094 250 F CA -2.940 55.008 58.000 -0.087 0.000 0.923 250 F CB 1.548 40.501 39.000 -0.079 0.000 1.230 250 F HN -0.335 nan 8.300 nan 0.000 0.450 251 P HA 0.140 nan 4.420 nan 0.000 0.266 251 P C -0.311 176.800 177.300 -0.315 0.000 1.215 251 P CA 0.297 63.151 63.100 -0.411 0.000 0.763 251 P CB 0.568 31.994 31.700 -0.457 0.000 0.806 252 E N 1.915 121.940 120.200 -0.290 0.000 2.435 252 E HA -0.103 4.248 4.350 0.001 0.000 0.195 252 E C 0.723 177.353 176.600 0.050 0.000 1.029 252 E CA 0.629 56.869 56.400 -0.266 0.000 0.865 252 E CB 0.119 29.726 29.700 -0.154 0.000 0.833 252 E HN 0.631 nan 8.360 nan 0.000 0.510 253 E N 1.024 121.226 120.200 0.003 0.000 2.478 253 E HA -0.009 4.341 4.350 0.001 0.000 0.194 253 E C 0.585 177.216 176.600 0.052 0.000 1.045 253 E CA -0.253 56.171 56.400 0.041 0.000 0.868 253 E CB 0.128 29.831 29.700 0.004 0.000 0.885 253 E HN 0.085 nan 8.360 nan 0.000 0.505 254 N N 2.371 121.108 118.700 0.062 0.000 2.447 254 N HA -0.030 4.710 4.740 0.001 0.000 0.263 254 N C -1.597 173.995 175.510 0.136 0.000 1.226 254 N CA -1.023 52.089 53.050 0.102 0.000 0.906 254 N CB 1.074 39.661 38.487 0.167 0.000 1.060 254 N HN -0.091 nan 8.380 nan 0.000 0.468 255 P HA -0.112 nan 4.420 nan 0.000 0.228 255 P C 0.420 177.633 177.300 -0.146 0.000 1.151 255 P CA 1.306 64.346 63.100 -0.101 0.000 0.770 255 P CB 0.058 31.627 31.700 -0.218 0.000 0.786 256 H N -2.773 116.387 119.070 0.149 0.000 2.551 256 H HA 0.038 4.594 4.556 0.001 0.000 0.266 256 H C 0.393 175.764 175.328 0.073 0.000 0.964 256 H CA -0.133 55.974 56.048 0.099 0.000 1.180 256 H CB -0.425 29.391 29.762 0.089 0.000 1.408 256 H HN 0.171 nan 8.280 nan 0.000 0.563 257 Y N 2.716 123.095 120.300 0.132 0.000 2.465 257 Y HA 0.073 4.623 4.550 0.001 0.000 0.331 257 Y C 1.411 177.245 175.900 -0.110 0.000 1.102 257 Y CA -0.599 57.511 58.100 0.018 0.000 1.358 257 Y CB 0.282 38.848 38.460 0.177 0.000 1.213 257 Y HN 0.090 nan 8.280 nan 0.000 0.525 258 I N 2.721 122.795 120.570 -0.827 0.000 4.018 258 I HA 0.629 4.800 4.170 0.001 0.000 0.337 258 I C 0.799 176.397 176.117 -0.866 0.000 1.327 258 I CA 0.430 61.173 61.300 -0.929 0.000 1.100 258 I CB -0.041 37.142 38.000 -1.361 0.000 1.025 258 I HN 0.786 nan 8.210 nan 0.000 0.396 259 G N 1.220 109.121 108.800 -1.499 0.000 2.396 259 G HA2 -0.127 3.833 3.960 0.001 0.000 0.254 259 G HA3 -0.127 3.833 3.960 0.001 0.000 0.254 259 G C -0.534 173.851 174.900 -0.858 0.000 1.248 259 G CA -0.365 44.016 45.100 -1.199 0.000 1.033 259 G HN 0.141 nan 8.290 nan 0.000 0.502 260 T N 0.778 114.758 114.554 -0.956 0.000 2.832 260 T HA 0.523 4.874 4.350 0.001 0.000 0.296 260 T C 0.520 175.167 174.700 -0.087 0.000 0.968 260 T CA 0.892 62.762 62.100 -0.382 0.000 1.107 260 T CB 1.307 70.043 68.868 -0.220 0.000 0.916 260 T HN 1.132 nan 8.240 nan 0.000 0.517 261 S N 3.293 118.970 115.700 -0.040 0.000 2.420 261 S HA 0.460 4.930 4.470 0.001 0.000 0.313 261 S C -1.156 173.560 174.600 0.193 0.000 1.079 261 S CA -0.652 57.594 58.200 0.076 0.000 1.104 261 S CB 0.088 63.309 63.200 0.035 0.000 0.969 261 S HN 0.770 nan 8.310 nan 0.000 0.471 262 W N 5.427 126.762 121.300 0.057 0.000 0.969 262 W HA 0.385 5.045 4.660 0.001 0.000 0.317 262 W C 0.523 177.119 176.519 0.129 0.000 0.875 262 W CA -0.311 57.081 57.345 0.078 0.000 1.411 262 W CB -0.064 29.423 29.460 0.046 0.000 1.457 262 W HN 1.125 nan 8.180 nan 0.000 0.491 263 G N 2.365 111.363 108.800 0.330 0.000 2.611 263 G HA2 -0.420 3.540 3.960 0.001 0.000 0.301 263 G HA3 -0.420 3.540 3.960 0.001 0.000 0.301 263 G C 1.046 176.034 174.900 0.146 0.000 1.233 263 G CA 1.080 46.303 45.100 0.206 0.000 0.993 263 G HN 0.580 nan 8.290 nan 0.000 0.553 264 E N 0.399 120.651 120.200 0.087 0.000 2.511 264 E HA 0.171 4.521 4.350 0.001 0.000 0.196 264 E C 1.708 178.336 176.600 0.046 0.000 1.066 264 E CA 1.292 57.727 56.400 0.059 0.000 0.871 264 E CB -0.033 29.683 29.700 0.028 0.000 0.863 264 E HN 1.320 nan 8.360 nan 0.000 0.520 265 V N -1.524 118.415 119.914 0.042 0.000 3.006 265 V HA 0.314 4.434 4.120 0.001 0.000 0.357 265 V C 0.132 176.347 176.094 0.201 0.000 1.377 265 V CA -0.801 61.528 62.300 0.048 0.000 1.198 265 V CB 0.130 31.893 31.823 -0.101 0.000 1.216 265 V HN 0.030 nan 8.190 nan 0.000 0.520 266 S N 0.426 116.267 115.700 0.235 0.000 2.600 266 S HA 0.541 5.011 4.470 0.001 0.000 0.265 266 S C -0.202 174.610 174.600 0.354 0.000 1.325 266 S CA -0.150 58.235 58.200 0.308 0.000 1.002 266 S CB 0.380 63.723 63.200 0.238 0.000 0.921 266 S HN 0.468 nan 8.310 nan 0.000 0.554 267 Y N 1.747 122.119 120.300 0.120 0.000 2.550 267 Y HA 0.164 4.715 4.550 0.001 0.000 0.343 267 Y C -1.946 174.029 175.900 0.125 0.000 1.245 267 Y CA -1.815 56.349 58.100 0.107 0.000 1.462 267 Y CB -0.795 37.709 38.460 0.073 0.000 1.340 267 Y HN 0.398 nan 8.280 nan 0.000 0.604 268 P HA 0.060 nan 4.420 nan 0.000 0.261 268 P C 0.686 178.124 177.300 0.230 0.000 1.183 268 P CA 1.937 65.125 63.100 0.147 0.000 0.761 268 P CB 0.265 32.003 31.700 0.064 0.000 0.785 269 G N 1.697 110.603 108.800 0.178 0.000 2.267 269 G HA2 -0.326 3.634 3.960 0.001 0.000 0.257 269 G HA3 -0.326 3.634 3.960 0.001 0.000 0.257 269 G C 1.041 176.170 174.900 0.382 0.000 0.998 269 G CA 0.301 45.526 45.100 0.207 0.000 0.620 269 G HN 0.403 nan 8.290 nan 0.000 0.529 270 V N 0.877 121.003 119.914 0.353 0.000 2.307 270 V HA -0.072 4.048 4.120 0.001 0.000 0.245 270 V C 2.450 178.661 176.094 0.195 0.000 1.045 270 V CA 2.817 65.261 62.300 0.239 0.000 1.024 270 V CB -0.297 31.604 31.823 0.129 0.000 0.651 270 V HN 0.626 nan 8.190 nan 0.000 0.449 271 E N 0.389 120.701 120.200 0.185 0.000 2.058 271 E HA -0.312 4.038 4.350 0.001 0.000 0.194 271 E C 2.300 178.997 176.600 0.161 0.000 0.997 271 E CA 1.830 58.324 56.400 0.157 0.000 0.801 271 E CB -0.100 29.685 29.700 0.141 0.000 0.746 271 E HN 0.532 nan 8.360 nan 0.000 0.450 272 K N -0.591 119.928 120.400 0.198 0.000 2.097 272 K HA -0.091 4.230 4.320 0.001 0.000 0.205 272 K C 2.050 178.835 176.600 0.308 0.000 1.050 272 K CA 1.649 58.079 56.287 0.238 0.000 0.938 272 K CB 0.038 32.694 32.500 0.260 0.000 0.718 272 K HN 0.102 nan 8.250 nan 0.000 0.442 273 T N 1.290 116.069 114.554 0.376 0.000 2.777 273 T HA -0.116 4.235 4.350 0.001 0.000 0.266 273 T C 1.728 176.498 174.700 0.116 0.000 1.040 273 T CA 1.126 63.442 62.100 0.359 0.000 1.141 273 T CB -0.027 69.101 68.868 0.432 0.000 0.868 273 T HN 0.146 nan 8.240 nan 0.000 0.444 274 M N 1.136 120.801 119.600 0.108 0.000 2.159 274 M HA 0.006 4.486 4.480 0.001 0.000 0.263 274 M C 2.207 178.527 176.300 0.034 0.000 1.063 274 M CA 1.353 56.690 55.300 0.061 0.000 1.110 274 M CB -0.955 31.691 32.600 0.076 0.000 1.374 274 M HN 0.204 nan 8.290 nan 0.000 0.411 275 K N 0.172 120.598 120.400 0.043 0.000 2.148 275 K HA -0.134 4.187 4.320 0.001 0.000 0.204 275 K C 1.497 178.068 176.600 -0.048 0.000 1.050 275 K CA 0.961 57.258 56.287 0.017 0.000 0.942 275 K CB 0.277 32.805 32.500 0.046 0.000 0.724 275 K HN 0.165 nan 8.250 nan 0.000 0.446 276 E N 0.365 120.483 120.200 -0.137 0.000 2.442 276 E HA 0.065 4.415 4.350 0.001 0.000 0.195 276 E C 0.149 176.588 176.600 -0.269 0.000 1.030 276 E CA 0.150 56.362 56.400 -0.313 0.000 0.869 276 E CB 0.256 29.457 29.700 -0.832 0.000 0.857 276 E HN 0.308 nan 8.360 nan 0.000 0.505 277 A N 1.840 124.564 122.820 -0.160 0.000 2.531 277 A HA -0.034 4.286 4.320 0.001 0.000 0.236 277 A C 0.715 178.262 177.584 -0.061 0.000 1.062 277 A CA 0.082 52.064 52.037 -0.091 0.000 0.760 277 A CB 0.281 19.268 19.000 -0.021 0.000 0.995 277 A HN -0.081 nan 8.150 nan 0.000 0.501 278 D N 0.633 121.002 120.400 -0.053 0.000 2.249 278 D HA 0.244 4.884 4.640 0.001 0.000 0.205 278 D C 0.618 176.917 176.300 -0.002 0.000 0.962 278 D CA 1.758 55.729 54.000 -0.048 0.000 0.860 278 D CB 0.122 40.876 40.800 -0.076 0.000 0.955 278 D HN 0.706 nan 8.370 nan 0.000 0.505 279 A N 0.277 123.128 122.820 0.052 0.000 2.488 279 A HA 0.546 4.867 4.320 0.001 0.000 0.298 279 A C -1.144 176.532 177.584 0.153 0.000 1.044 279 A CA -0.562 51.580 52.037 0.174 0.000 0.693 279 A CB 1.985 21.120 19.000 0.226 0.000 1.272 279 A HN -0.102 nan 8.150 nan 0.000 0.402 280 V N 3.452 123.470 119.914 0.173 0.000 2.407 280 V HA 0.367 4.488 4.120 0.001 0.000 0.291 280 V C -0.398 175.786 176.094 0.149 0.000 1.018 280 V CA -0.162 62.218 62.300 0.134 0.000 0.842 280 V CB 1.355 33.242 31.823 0.106 0.000 0.996 280 V HN 0.730 nan 8.190 nan 0.000 0.426 281 I N 4.713 125.378 120.570 0.158 0.000 2.287 281 I HA 0.492 4.662 4.170 0.001 0.000 0.290 281 I C 0.719 176.920 176.117 0.139 0.000 1.069 281 I CA -0.200 61.197 61.300 0.162 0.000 1.237 281 I CB 1.162 39.301 38.000 0.232 0.000 1.418 281 I HN 0.663 nan 8.210 nan 0.000 0.481 282 A N 8.311 131.206 122.820 0.126 0.000 2.302 282 A HA 0.606 4.926 4.320 0.001 0.000 0.295 282 A C -0.175 177.451 177.584 0.070 0.000 1.235 282 A CA -0.417 51.693 52.037 0.121 0.000 0.876 282 A CB 0.150 19.279 19.000 0.216 0.000 1.133 282 A HN 0.739 nan 8.150 nan 0.000 0.533 283 L N 2.807 124.062 121.223 0.055 0.000 2.270 283 L HA 0.486 4.827 4.340 0.001 0.000 0.286 283 L C 1.011 177.888 176.870 0.012 0.000 1.059 283 L CA 0.014 54.881 54.840 0.046 0.000 0.839 283 L CB 0.693 42.803 42.059 0.086 0.000 1.221 283 L HN 1.075 nan 8.230 nan 0.000 0.431 284 A N 3.461 126.272 122.820 -0.015 0.000 2.667 284 A HA -0.115 4.206 4.320 0.001 0.000 0.298 284 A C -2.438 175.085 177.584 -0.102 0.000 1.483 284 A CA -0.460 51.553 52.037 -0.039 0.000 0.738 284 A CB -1.849 17.148 19.000 -0.005 0.000 1.067 284 A HN 0.466 nan 8.150 nan 0.000 0.451 285 P HA 0.531 nan 4.420 nan 0.000 0.279 285 P C -0.322 176.697 177.300 -0.469 0.000 1.252 285 P CA -0.356 62.473 63.100 -0.453 0.000 0.811 285 P CB 1.404 32.602 31.700 -0.836 0.000 1.035 286 V N 2.896 122.507 119.914 -0.505 0.000 2.376 286 V HA 0.299 4.419 4.120 0.001 0.000 0.287 286 V C -0.611 175.256 176.094 -0.378 0.000 1.015 286 V CA -0.285 61.814 62.300 -0.335 0.000 0.834 286 V CB 0.261 31.984 31.823 -0.167 0.000 1.001 286 V HN 0.312 nan 8.190 nan 0.000 0.428 287 F N 5.646 125.630 119.950 0.057 0.000 2.334 287 F HA 0.461 4.989 4.527 0.001 0.000 0.365 287 F C 0.686 176.569 175.800 0.138 0.000 1.124 287 F CA -0.795 57.261 58.000 0.095 0.000 1.166 287 F CB 0.298 39.384 39.000 0.143 0.000 1.355 287 F HN 0.663 nan 8.300 nan 0.000 0.532 288 N N 0.301 119.101 118.700 0.166 0.000 2.906 288 N HA 0.200 4.941 4.740 0.001 0.000 0.327 288 N C 0.648 175.920 175.510 -0.397 0.000 1.344 288 N CA -0.749 52.324 53.050 0.039 0.000 0.823 288 N CB 0.247 38.749 38.487 0.026 0.000 1.351 288 N HN 0.266 nan 8.380 nan 0.000 0.604 289 D N -1.307 118.723 120.400 -0.617 0.000 2.218 289 D HA -0.205 4.435 4.640 0.001 0.000 0.204 289 D C 0.985 177.164 176.300 -0.203 0.000 0.976 289 D CA 1.420 54.836 54.000 -0.973 0.000 0.853 289 D CB -0.385 40.088 40.800 -0.545 0.000 0.939 289 D HN 0.441 nan 8.370 nan 0.000 0.481 290 Y N 1.673 121.919 120.300 -0.089 0.000 2.206 290 Y HA -0.028 4.523 4.550 0.001 0.000 0.292 290 Y C 2.927 179.115 175.900 0.481 0.000 1.123 290 Y CA 0.778 59.066 58.100 0.313 0.000 1.142 290 Y CB -0.731 37.977 38.460 0.414 0.000 1.006 290 Y HN 0.128 nan 8.280 nan 0.000 0.518 291 S N -1.305 114.601 115.700 0.343 0.000 2.489 291 S HA -0.074 4.396 4.470 0.001 0.000 0.228 291 S C 1.509 176.303 174.600 0.324 0.000 0.995 291 S CA 1.055 59.383 58.200 0.213 0.000 0.934 291 S CB -0.930 62.258 63.200 -0.019 0.000 0.771 291 S HN 0.470 nan 8.310 nan 0.000 0.522 292 T N -1.948 112.743 114.554 0.227 0.000 3.145 292 T HA 0.240 4.591 4.350 0.001 0.000 0.255 292 T C 0.323 175.114 174.700 0.151 0.000 1.039 292 T CA 0.260 62.477 62.100 0.195 0.000 0.928 292 T CB -0.745 68.199 68.868 0.128 0.000 1.029 292 T HN 0.273 nan 8.240 nan 0.000 0.554 293 T N 1.949 116.639 114.554 0.227 0.000 3.580 293 T HA -0.066 4.284 4.350 0.001 0.000 0.402 293 T C 1.223 175.847 174.700 -0.125 0.000 0.765 293 T CA 0.862 63.000 62.100 0.063 0.000 2.064 293 T CB -2.194 66.737 68.868 0.104 0.000 1.724 293 T HN 1.736 nan 8.240 nan 0.000 0.719 294 G N 0.674 109.315 108.800 -0.265 0.000 2.246 294 G HA2 -0.279 3.681 3.960 0.001 0.000 0.273 294 G HA3 -0.279 3.681 3.960 0.001 0.000 0.273 294 G C 0.465 175.310 174.900 -0.091 0.000 1.055 294 G CA 0.646 45.568 45.100 -0.296 0.000 0.851 294 G HN 1.362 nan 8.290 nan 0.000 0.500 295 W N -3.015 118.333 121.300 0.080 0.000 3.456 295 W HA -0.323 4.338 4.660 0.001 0.000 0.314 295 W C 1.851 178.397 176.519 0.044 0.000 1.192 295 W CA 1.331 58.714 57.345 0.063 0.000 0.654 295 W CB -2.285 27.201 29.460 0.042 0.000 2.251 295 W HN 1.020 nan 8.180 nan 0.000 1.360 296 T N -4.297 110.366 114.554 0.182 0.000 3.051 296 T HA 0.054 4.405 4.350 0.001 0.000 0.255 296 T C 0.507 175.281 174.700 0.123 0.000 1.085 296 T CA 1.080 63.258 62.100 0.129 0.000 1.109 296 T CB 0.282 69.194 68.868 0.074 0.000 0.921 296 T HN 0.071 nan 8.240 nan 0.000 0.488 297 D N 0.881 121.367 120.400 0.144 0.000 2.456 297 D HA 0.379 5.019 4.640 0.001 0.000 0.287 297 D C -0.925 175.451 176.300 0.127 0.000 1.186 297 D CA -0.697 53.386 54.000 0.139 0.000 0.916 297 D CB -0.315 40.591 40.800 0.177 0.000 1.029 297 D HN 0.425 nan 8.370 nan 0.000 0.498 298 I N 3.296 123.915 120.570 0.082 0.000 2.354 298 I HA 0.344 4.514 4.170 0.001 0.000 0.292 298 I C -1.608 174.458 176.117 -0.085 0.000 0.989 298 I CA -1.984 59.309 61.300 -0.011 0.000 1.188 298 I CB 1.551 39.570 38.000 0.031 0.000 1.342 298 I HN 0.176 nan 8.210 nan 0.000 0.457 299 P HA -0.029 nan 4.420 nan 0.000 0.266 299 P C -0.672 176.564 177.300 -0.108 0.000 1.195 299 P CA -0.147 62.863 63.100 -0.149 0.000 0.768 299 P CB 0.612 32.165 31.700 -0.245 0.000 0.838 300 D N 3.708 124.086 120.400 -0.037 0.000 2.382 300 D HA 0.028 4.669 4.640 0.001 0.000 0.259 300 D C -1.446 174.848 176.300 -0.011 0.000 1.224 300 D CA -1.862 52.129 54.000 -0.015 0.000 0.894 300 D CB 0.600 41.408 40.800 0.012 0.000 1.127 300 D HN 0.116 nan 8.370 nan 0.000 0.487 301 P HA -0.106 nan 4.420 nan 0.000 0.219 301 P C 0.604 177.916 177.300 0.019 0.000 1.146 301 P CA 1.251 64.340 63.100 -0.019 0.000 0.808 301 P CB 0.256 31.942 31.700 -0.024 0.000 0.779 302 K N -0.674 119.757 120.400 0.051 0.000 2.418 302 K HA 0.047 4.367 4.320 0.001 0.000 0.195 302 K C 1.573 178.308 176.600 0.224 0.000 1.035 302 K CA 0.753 57.106 56.287 0.110 0.000 1.003 302 K CB 0.035 32.584 32.500 0.083 0.000 0.793 302 K HN 0.129 nan 8.250 nan 0.000 0.494 303 K N 0.025 120.535 120.400 0.183 0.000 2.355 303 K HA 0.121 4.442 4.320 0.001 0.000 0.198 303 K C -0.291 176.464 176.600 0.258 0.000 1.039 303 K CA -0.258 56.192 56.287 0.272 0.000 1.075 303 K CB 0.452 33.035 32.500 0.140 0.000 0.870 303 K HN -0.052 nan 8.250 nan 0.000 0.540 304 L N 1.922 123.204 121.223 0.098 0.000 2.319 304 L HA 0.162 4.502 4.340 0.001 0.000 0.280 304 L C -0.709 176.100 176.870 -0.102 0.000 1.099 304 L CA -0.225 54.630 54.840 0.026 0.000 0.828 304 L CB 1.208 43.267 42.059 0.000 0.000 1.150 304 L HN -0.241 nan 8.230 nan 0.000 0.442 305 V N 6.774 126.658 119.914 -0.051 0.000 2.328 305 V HA 0.290 4.411 4.120 0.001 0.000 0.278 305 V C -0.285 175.797 176.094 -0.019 0.000 1.021 305 V CA -0.584 61.655 62.300 -0.102 0.000 0.838 305 V CB 1.267 33.073 31.823 -0.028 0.000 0.999 305 V HN 0.566 nan 8.190 nan 0.000 0.447 306 L N 5.845 127.042 121.223 -0.044 0.000 2.272 306 L HA 0.720 5.061 4.340 0.001 0.000 0.284 306 L C 0.493 177.320 176.870 -0.073 0.000 1.045 306 L CA -0.167 54.670 54.840 -0.004 0.000 0.842 306 L CB 0.839 42.910 42.059 0.020 0.000 1.224 306 L HN 0.681 nan 8.230 nan 0.000 0.430 307 A N 5.686 128.462 122.820 -0.073 0.000 2.540 307 A HA 0.541 4.861 4.320 0.001 0.000 0.340 307 A C 0.104 177.631 177.584 -0.096 0.000 1.424 307 A CA -0.674 51.262 52.037 -0.169 0.000 0.940 307 A CB -0.149 18.764 19.000 -0.146 0.000 1.149 307 A HN 0.687 nan 8.150 nan 0.000 0.505 308 E N 2.647 122.789 120.200 -0.097 0.000 2.351 308 E HA 0.135 4.485 4.350 0.001 0.000 0.255 308 E C -1.707 174.864 176.600 -0.049 0.000 1.188 308 E CA -1.704 54.661 56.400 -0.058 0.000 0.940 308 E CB 0.041 29.712 29.700 -0.048 0.000 1.094 308 E HN 0.256 nan 8.360 nan 0.000 0.474 309 P HA -0.110 nan 4.420 nan 0.000 0.216 309 P C 0.676 177.989 177.300 0.021 0.000 1.150 309 P CA 1.620 64.723 63.100 0.006 0.000 0.843 309 P CB 0.226 31.928 31.700 0.004 0.000 0.787 310 R N -1.586 118.899 120.500 -0.024 0.000 2.572 310 R HA 0.292 4.632 4.340 0.001 0.000 0.370 310 R C 0.044 176.276 176.300 -0.112 0.000 1.005 310 R CA 0.112 56.166 56.100 -0.076 0.000 1.146 310 R CB 0.648 30.909 30.300 -0.065 0.000 1.390 310 R HN 0.194 nan 8.270 nan 0.000 0.553 311 S N -1.285 114.356 115.700 -0.099 0.000 2.565 311 S HA 0.550 5.021 4.470 0.001 0.000 0.269 311 S C -0.927 173.588 174.600 -0.143 0.000 1.153 311 S CA -0.786 57.356 58.200 -0.097 0.000 0.835 311 S CB 2.323 65.486 63.200 -0.063 0.000 1.122 311 S HN -0.136 nan 8.310 nan 0.000 0.462 312 V N 1.372 121.212 119.914 -0.124 0.000 2.588 312 V HA 0.645 4.765 4.120 0.001 0.000 0.304 312 V C -0.840 175.247 176.094 -0.011 0.000 1.042 312 V CA -0.674 61.511 62.300 -0.192 0.000 0.877 312 V CB 1.783 33.326 31.823 -0.467 0.000 0.996 312 V HN 0.860 nan 8.190 nan 0.000 0.425 313 V N 5.129 125.010 119.914 -0.055 0.000 2.357 313 V HA 0.677 4.797 4.120 0.001 0.000 0.284 313 V C -0.398 175.659 176.094 -0.062 0.000 1.018 313 V CA -0.521 61.757 62.300 -0.037 0.000 0.841 313 V CB 1.649 33.436 31.823 -0.060 0.000 0.991 313 V HN 0.644 nan 8.190 nan 0.000 0.437 314 V N 5.077 124.982 119.914 -0.015 0.000 2.851 314 V HA 0.584 4.704 4.120 0.001 0.000 0.307 314 V C 0.201 176.235 176.094 -0.100 0.000 1.129 314 V CA -0.389 61.838 62.300 -0.120 0.000 0.932 314 V CB 1.883 33.680 31.823 -0.044 0.000 1.024 314 V HN 0.964 nan 8.190 nan 0.000 0.426 315 N N 4.299 122.812 118.700 -0.312 0.000 2.735 315 N HA -0.151 4.589 4.740 0.001 0.000 0.248 315 N C 0.879 176.384 175.510 -0.008 0.000 1.083 315 N CA 1.968 54.969 53.050 -0.082 0.000 0.703 315 N CB -1.167 37.389 38.487 0.116 0.000 1.005 315 N HN 2.335 nan 8.380 nan 0.000 0.550 316 G N -1.512 107.252 108.800 -0.061 0.000 2.148 316 G HA2 -0.282 3.678 3.960 0.001 0.000 0.254 316 G HA3 -0.282 3.678 3.960 0.001 0.000 0.254 316 G C 0.097 174.946 174.900 -0.084 0.000 0.981 316 G CA 0.536 45.607 45.100 -0.049 0.000 0.670 316 G HN 0.581 nan 8.290 nan 0.000 0.528 317 I N -0.444 120.058 120.570 -0.114 0.000 2.545 317 I HA 0.483 4.654 4.170 0.001 0.000 0.292 317 I C 0.337 176.218 176.117 -0.395 0.000 1.040 317 I CA -1.088 60.044 61.300 -0.280 0.000 1.068 317 I CB 2.065 39.855 38.000 -0.350 0.000 1.251 317 I HN 0.092 nan 8.210 nan 0.000 0.424 318 R N 5.288 125.512 120.500 -0.461 0.000 2.265 318 R HA 0.522 4.863 4.340 0.001 0.000 0.319 318 R C -1.732 174.241 176.300 -0.544 0.000 1.006 318 R CA -0.352 55.534 56.100 -0.356 0.000 0.880 318 R CB 0.733 30.913 30.300 -0.199 0.000 1.077 318 R HN 0.434 nan 8.270 nan 0.000 0.454 319 F N 6.961 126.854 119.950 -0.095 0.000 2.359 319 F HA 0.368 4.896 4.527 0.001 0.000 0.370 319 F C -1.797 173.938 175.800 -0.108 0.000 1.077 319 F CA -2.213 55.732 58.000 -0.092 0.000 1.136 319 F CB 1.316 40.257 39.000 -0.098 0.000 1.387 319 F HN 0.385 nan 8.300 nan 0.000 0.468 320 P HA 0.101 nan 4.420 nan 0.000 0.274 320 P C 0.061 177.344 177.300 -0.029 0.000 1.256 320 P CA -0.065 63.022 63.100 -0.022 0.000 0.795 320 P CB 1.087 32.764 31.700 -0.038 0.000 1.038 321 S N -2.813 112.832 115.700 -0.091 0.000 3.635 321 S HA -0.086 4.385 4.470 0.001 0.000 0.328 321 S C -0.006 174.492 174.600 -0.171 0.000 1.135 321 S CA 0.573 58.685 58.200 -0.145 0.000 0.942 321 S CB -2.082 61.073 63.200 -0.075 0.000 0.930 321 S HN 0.413 nan 8.310 nan 0.000 0.512 322 V N 1.904 121.712 119.914 -0.176 0.000 2.349 322 V HA 0.312 4.433 4.120 0.001 0.000 0.284 322 V C 0.239 176.244 176.094 -0.148 0.000 1.014 322 V CA -0.732 61.488 62.300 -0.134 0.000 0.826 322 V CB 1.034 32.804 31.823 -0.089 0.000 1.009 322 V HN 0.504 nan 8.190 nan 0.000 0.431 323 H N 3.400 122.471 119.070 0.002 0.000 2.886 323 H HA 0.097 4.654 4.556 0.001 0.000 0.329 323 H C 0.906 176.248 175.328 0.023 0.000 1.044 323 H CA -0.374 55.675 56.048 0.002 0.000 1.456 323 H CB 1.239 31.004 29.762 0.006 0.000 1.464 323 H HN 0.563 nan 8.280 nan 0.000 0.573 324 L N 3.868 125.173 121.223 0.137 0.000 2.043 324 L HA -0.214 4.126 4.340 0.001 0.000 0.212 324 L C 2.229 179.178 176.870 0.131 0.000 1.075 324 L CA 1.852 56.760 54.840 0.113 0.000 0.752 324 L CB -0.514 41.583 42.059 0.063 0.000 0.891 324 L HN 0.644 nan 8.230 nan 0.000 0.432 325 K N -0.890 119.567 120.400 0.095 0.000 2.026 325 K HA -0.199 4.121 4.320 0.001 0.000 0.208 325 K C 1.706 178.338 176.600 0.053 0.000 1.048 325 K CA 1.850 58.167 56.287 0.050 0.000 0.929 325 K CB -0.164 32.340 32.500 0.006 0.000 0.713 325 K HN 0.408 nan 8.250 nan 0.000 0.439 326 D N -0.345 120.108 120.400 0.088 0.000 2.117 326 D HA -0.175 4.465 4.640 0.001 0.000 0.198 326 D C 1.773 178.110 176.300 0.061 0.000 0.982 326 D CA 0.968 55.011 54.000 0.071 0.000 0.828 326 D CB -0.425 40.436 40.800 0.102 0.000 0.967 326 D HN 0.296 nan 8.370 nan 0.000 0.464 327 Y N 1.744 122.019 120.300 -0.042 0.000 2.128 327 Y HA -0.176 4.375 4.550 0.001 0.000 0.284 327 Y C 2.211 178.031 175.900 -0.133 0.000 1.154 327 Y CA 1.368 59.410 58.100 -0.096 0.000 1.149 327 Y CB -0.513 37.880 38.460 -0.111 0.000 0.976 327 Y HN -0.117 nan 8.280 nan 0.000 0.505 328 L N -0.823 120.286 121.223 -0.190 0.000 2.046 328 L HA -0.229 4.111 4.340 0.001 0.000 0.208 328 L C 2.363 179.135 176.870 -0.164 0.000 1.077 328 L CA 1.830 56.486 54.840 -0.308 0.000 0.747 328 L CB -0.920 41.080 42.059 -0.098 0.000 0.896 328 L HN 0.227 nan 8.230 nan 0.000 0.432 329 T N -0.952 113.557 114.554 -0.074 0.000 2.708 329 T HA -0.233 4.117 4.350 0.001 0.000 0.266 329 T C 2.015 176.683 174.700 -0.054 0.000 1.037 329 T CA 1.511 63.591 62.100 -0.033 0.000 1.146 329 T CB -0.187 68.672 68.868 -0.016 0.000 0.865 329 T HN 0.143 nan 8.240 nan 0.000 0.435 330 R N 0.781 121.229 120.500 -0.088 0.000 2.075 330 R HA 0.044 4.384 4.340 0.001 0.000 0.232 330 R C 2.185 178.411 176.300 -0.123 0.000 1.126 330 R CA 0.998 57.045 56.100 -0.089 0.000 0.963 330 R CB -0.953 29.298 30.300 -0.082 0.000 0.858 330 R HN 0.272 nan 8.270 nan 0.000 0.435 331 L N 0.235 121.311 121.223 -0.245 0.000 2.083 331 L HA 0.055 4.396 4.340 0.001 0.000 0.209 331 L C 2.019 178.887 176.870 -0.004 0.000 1.083 331 L CA 2.097 56.793 54.840 -0.241 0.000 0.752 331 L CB -0.873 40.818 42.059 -0.615 0.000 0.899 331 L HN 0.290 nan 8.230 nan 0.000 0.433 332 A N -1.435 121.418 122.820 0.054 0.000 2.015 332 A HA -0.212 4.108 4.320 0.001 0.000 0.219 332 A C 2.141 179.754 177.584 0.048 0.000 1.163 332 A CA 1.538 53.653 52.037 0.131 0.000 0.646 332 A CB -0.429 18.645 19.000 0.123 0.000 0.806 332 A HN 0.653 nan 8.150 nan 0.000 0.448 333 Q N -1.031 118.777 119.800 0.013 0.000 2.389 333 Q HA 0.037 4.378 4.340 0.001 0.000 0.204 333 Q C 1.487 177.489 176.000 0.003 0.000 0.944 333 Q CA 0.973 56.778 55.803 0.003 0.000 0.908 333 Q CB 0.112 28.846 28.738 -0.008 0.000 1.002 333 Q HN 0.584 nan 8.270 nan 0.000 0.493 334 K N -0.528 119.874 120.400 0.003 0.000 2.435 334 K HA 0.165 4.486 4.320 0.001 0.000 0.199 334 K C 0.148 176.759 176.600 0.017 0.000 1.153 334 K CA -0.068 56.220 56.287 0.003 0.000 0.974 334 K CB 1.184 33.677 32.500 -0.012 0.000 0.997 334 K HN -0.056 nan 8.250 nan 0.000 0.547 335 V N 2.781 122.718 119.914 0.037 0.000 2.811 335 V HA 0.040 4.160 4.120 0.001 0.000 0.302 335 V C 0.128 176.236 176.094 0.023 0.000 1.063 335 V CA -0.082 62.250 62.300 0.053 0.000 1.088 335 V CB 1.272 33.169 31.823 0.123 0.000 0.982 335 V HN 0.381 nan 8.190 nan 0.000 0.485 336 S N 5.317 121.029 115.700 0.020 0.000 2.693 336 S HA 0.542 5.013 4.470 0.001 0.000 0.276 336 S C -0.324 174.272 174.600 -0.008 0.000 1.192 336 S CA -0.772 57.431 58.200 0.006 0.000 0.994 336 S CB 1.126 64.332 63.200 0.011 0.000 1.012 336 S HN 0.690 nan 8.310 nan 0.000 0.550 337 K N 1.189 121.583 120.400 -0.010 0.000 2.447 337 K HA 0.178 4.498 4.320 0.001 0.000 0.281 337 K C -0.462 176.131 176.600 -0.011 0.000 1.031 337 K CA 0.617 56.894 56.287 -0.018 0.000 1.019 337 K CB 0.181 32.681 32.500 -0.001 0.000 0.918 337 K HN 0.521 nan 8.250 nan 0.000 0.476 338 K N 3.247 123.633 120.400 -0.025 0.000 2.687 338 K HA 0.078 4.398 4.320 0.001 0.000 0.197 338 K C -0.023 176.577 176.600 -0.000 0.000 1.049 338 K CA -0.144 56.139 56.287 -0.008 0.000 1.030 338 K CB 1.168 33.665 32.500 -0.004 0.000 1.261 338 K HN 0.771 nan 8.250 nan 0.000 0.565 339 T N -2.805 111.764 114.554 0.024 0.000 3.129 339 T HA -0.002 4.348 4.350 0.001 0.000 0.251 339 T C 1.852 176.597 174.700 0.074 0.000 1.117 339 T CA 0.608 62.740 62.100 0.053 0.000 1.034 339 T CB 0.221 69.128 68.868 0.066 0.000 0.968 339 T HN 0.460 nan 8.240 nan 0.000 0.526 340 G N 1.894 110.729 108.800 0.060 0.000 2.556 340 G HA2 -0.179 3.781 3.960 0.001 0.000 0.220 340 G HA3 -0.179 3.781 3.960 0.001 0.000 0.220 340 G C 1.769 176.742 174.900 0.123 0.000 1.156 340 G CA 0.962 46.108 45.100 0.076 0.000 0.766 340 G HN 0.751 nan 8.290 nan 0.000 0.583 341 A N -0.317 122.565 122.820 0.103 0.000 1.975 341 A HA 0.304 4.625 4.320 0.001 0.000 0.215 341 A C 2.293 180.021 177.584 0.240 0.000 1.170 341 A CA 1.394 53.520 52.037 0.149 0.000 0.656 341 A CB -0.267 18.774 19.000 0.069 0.000 0.821 341 A HN 0.403 nan 8.150 nan 0.000 0.449 342 L N 0.277 121.605 121.223 0.175 0.000 2.056 342 L HA -0.132 4.208 4.340 0.001 0.000 0.207 342 L C 1.540 178.559 176.870 0.248 0.000 1.078 342 L CA 2.305 57.267 54.840 0.204 0.000 0.749 342 L CB -0.657 41.499 42.059 0.160 0.000 0.901 342 L HN 0.322 nan 8.230 nan 0.000 0.433 343 D N -0.918 119.598 120.400 0.194 0.000 2.117 343 D HA -0.257 4.384 4.640 0.001 0.000 0.197 343 D C 2.051 178.453 176.300 0.170 0.000 0.987 343 D CA 1.594 55.688 54.000 0.155 0.000 0.829 343 D CB -0.382 40.493 40.800 0.125 0.000 0.961 343 D HN 0.412 nan 8.370 nan 0.000 0.460 344 F N 0.732 120.736 119.950 0.090 0.000 2.134 344 F HA -0.209 4.318 4.527 0.001 0.000 0.299 344 F C 2.138 177.997 175.800 0.098 0.000 1.097 344 F CA 1.061 59.108 58.000 0.078 0.000 1.264 344 F CB -0.398 38.649 39.000 0.078 0.000 1.001 344 F HN -0.103 nan 8.300 nan 0.000 0.479 345 F N 1.464 121.491 119.950 0.128 0.000 2.095 345 F HA -0.189 4.339 4.527 0.001 0.000 0.298 345 F C 2.235 177.988 175.800 -0.079 0.000 1.104 345 F CA 2.113 60.125 58.000 0.020 0.000 1.232 345 F CB -0.624 38.428 39.000 0.086 0.000 0.987 345 F HN -0.131 nan 8.300 nan 0.000 0.475 346 K N 0.045 120.408 120.400 -0.062 0.000 2.097 346 K HA -0.150 4.171 4.320 0.001 0.000 0.206 346 K C 2.239 178.694 176.600 -0.241 0.000 1.049 346 K CA 1.565 57.751 56.287 -0.168 0.000 0.933 346 K CB -0.451 32.059 32.500 0.017 0.000 0.717 346 K HN 0.410 nan 8.250 nan 0.000 0.442 347 S N 0.847 116.415 115.700 -0.221 0.000 2.547 347 S HA -0.022 4.448 4.470 0.001 0.000 0.235 347 S C 1.756 176.166 174.600 -0.318 0.000 0.980 347 S CA 0.563 58.626 58.200 -0.228 0.000 0.941 347 S CB -0.334 62.754 63.200 -0.187 0.000 0.763 347 S HN 0.199 nan 8.310 nan 0.000 0.532 348 L N 0.701 121.662 121.223 -0.436 0.000 2.313 348 L HA 0.070 4.411 4.340 0.001 0.000 0.214 348 L C 0.494 177.188 176.870 -0.294 0.000 1.119 348 L CA 0.203 54.802 54.840 -0.403 0.000 0.809 348 L CB -0.789 40.995 42.059 -0.458 0.000 0.933 348 L HN 0.275 nan 8.230 nan 0.000 0.449 349 N N -0.282 118.239 118.700 -0.298 0.000 2.710 349 N HA -0.242 4.499 4.740 0.001 0.000 0.249 349 N C 0.983 176.374 175.510 -0.199 0.000 1.059 349 N CA 0.863 53.784 53.050 -0.216 0.000 0.720 349 N CB -0.918 37.482 38.487 -0.145 0.000 0.983 349 N HN 0.439 nan 8.380 nan 0.000 0.544 350 A N -0.261 122.397 122.820 -0.270 0.000 2.121 350 A HA 0.377 4.698 4.320 0.001 0.000 0.218 350 A C 1.512 179.029 177.584 -0.112 0.000 1.154 350 A CA 1.645 53.574 52.037 -0.181 0.000 0.679 350 A CB -0.304 18.581 19.000 -0.192 0.000 0.795 350 A HN 1.369 nan 8.150 nan 0.000 0.458 351 G N -1.013 107.716 108.800 -0.118 0.000 2.828 351 G HA2 -0.044 3.916 3.960 0.001 0.000 0.463 351 G HA3 -0.044 3.916 3.960 0.001 0.000 0.463 351 G C -0.416 174.479 174.900 -0.007 0.000 1.394 351 G CA 0.008 45.075 45.100 -0.055 0.000 0.862 351 G HN 0.652 nan 8.290 nan 0.000 0.540 352 E N -1.283 118.922 120.200 0.009 0.000 2.314 352 E HA 0.605 4.956 4.350 0.001 0.000 0.262 352 E C 0.602 177.188 176.600 -0.023 0.000 1.093 352 E CA -0.828 55.590 56.400 0.031 0.000 0.908 352 E CB 1.005 30.728 29.700 0.038 0.000 1.091 352 E HN 1.047 nan 8.360 nan 0.000 0.425 353 L N 2.730 123.904 121.223 -0.082 0.000 2.584 353 L HA 0.041 4.381 4.340 0.001 0.000 0.272 353 L C 0.055 176.861 176.870 -0.105 0.000 1.195 353 L CA 0.840 55.566 54.840 -0.191 0.000 0.920 353 L CB 0.047 41.832 42.059 -0.457 0.000 1.173 353 L HN 0.426 nan 8.230 nan 0.000 0.489 354 K N 5.797 126.148 120.400 -0.082 0.000 2.378 354 K HA 0.144 4.464 4.320 0.001 0.000 0.288 354 K C -0.659 175.914 176.600 -0.045 0.000 1.057 354 K CA -0.008 56.249 56.287 -0.050 0.000 0.971 354 K CB 0.249 32.726 32.500 -0.039 0.000 0.975 354 K HN 0.617 nan 8.250 nan 0.000 0.475 355 K N 2.235 122.617 120.400 -0.030 0.000 2.259 355 K HA 0.367 4.688 4.320 0.001 0.000 0.249 355 K C -0.710 175.883 176.600 -0.012 0.000 0.942 355 K CA -0.901 55.374 56.287 -0.020 0.000 0.816 355 K CB 1.905 34.397 32.500 -0.013 0.000 1.155 355 K HN 0.643 nan 8.250 nan 0.000 0.428 356 A N 1.655 124.470 122.820 -0.009 0.000 2.498 356 A HA 0.411 4.731 4.320 0.001 0.000 0.239 356 A C 0.113 177.696 177.584 -0.003 0.000 1.068 356 A CA -0.068 51.965 52.037 -0.006 0.000 0.766 356 A CB 0.113 19.111 19.000 -0.004 0.000 1.003 356 A HN 0.787 nan 8.150 nan 0.000 0.497 357 A N 3.337 126.155 122.820 -0.002 0.000 2.313 357 A HA 0.602 4.923 4.320 0.001 0.000 0.261 357 A C -2.164 175.421 177.584 0.002 0.000 1.090 357 A CA -1.334 50.703 52.037 0.000 0.000 0.807 357 A CB -0.699 18.301 19.000 0.000 0.000 1.055 357 A HN 0.683 nan 8.150 nan 0.000 0.492 358 P HA 0.230 nan 4.420 nan 0.000 0.261 358 P C -0.150 177.154 177.300 0.006 0.000 1.183 358 P CA 0.652 63.756 63.100 0.006 0.000 0.761 358 P CB 0.368 32.072 31.700 0.008 0.000 0.785 359 A N 3.038 125.863 122.820 0.007 0.000 2.313 359 A HA 0.228 4.549 4.320 0.001 0.000 0.261 359 A C 0.277 177.866 177.584 0.009 0.000 1.090 359 A CA -0.382 51.660 52.037 0.007 0.000 0.807 359 A CB 0.001 19.006 19.000 0.009 0.000 1.055 359 A HN 0.520 nan 8.150 nan 0.000 0.492 360 D N 0.638 121.043 120.400 0.007 0.000 2.401 360 D HA 0.205 4.845 4.640 0.001 0.000 0.254 360 D C -1.644 174.662 176.300 0.011 0.000 1.192 360 D CA -1.346 52.658 54.000 0.008 0.000 0.885 360 D CB 0.764 41.567 40.800 0.005 0.000 1.147 360 D HN 0.093 nan 8.370 nan 0.000 0.478 361 P HA -0.142 nan 4.420 nan 0.000 0.218 361 P C 0.887 178.196 177.300 0.015 0.000 1.146 361 P CA 1.183 64.293 63.100 0.016 0.000 0.813 361 P CB 0.094 31.803 31.700 0.016 0.000 0.778 362 S N -2.369 113.337 115.700 0.010 0.000 2.535 362 S HA 0.370 4.841 4.470 0.001 0.000 0.214 362 S C 1.019 175.622 174.600 0.005 0.000 0.980 362 S CA -0.234 57.971 58.200 0.007 0.000 0.907 362 S CB -0.561 62.641 63.200 0.003 0.000 0.790 362 S HN 0.094 nan 8.310 nan 0.000 0.510 363 A N 2.771 125.596 122.820 0.007 0.000 2.386 363 A HA 0.592 4.913 4.320 0.001 0.000 0.248 363 A C -2.535 175.056 177.584 0.010 0.000 1.082 363 A CA -1.537 50.503 52.037 0.006 0.000 0.789 363 A CB -0.542 18.461 19.000 0.005 0.000 1.025 363 A HN 0.269 nan 8.150 nan 0.000 0.490 364 P HA 0.090 nan 4.420 nan 0.000 0.262 364 P C -0.284 177.031 177.300 0.026 0.000 1.182 364 P CA -0.090 63.019 63.100 0.015 0.000 0.761 364 P CB 0.195 31.900 31.700 0.009 0.000 0.795 365 L N 5.827 127.076 121.223 0.044 0.000 2.540 365 L HA 0.141 4.482 4.340 0.001 0.000 0.276 365 L C -0.084 176.811 176.870 0.041 0.000 1.212 365 L CA 0.390 55.261 54.840 0.052 0.000 0.893 365 L CB 0.061 42.170 42.059 0.084 0.000 1.138 365 L HN 0.222 nan 8.230 nan 0.000 0.491 366 V N 2.151 122.081 119.914 0.028 0.000 3.046 366 V HA 0.531 4.651 4.120 0.001 0.000 0.316 366 V C 0.849 176.952 176.094 0.016 0.000 1.104 366 V CA -0.504 61.805 62.300 0.016 0.000 1.006 366 V CB 1.524 33.350 31.823 0.005 0.000 1.058 366 V HN 0.809 nan 8.190 nan 0.000 0.440 367 N N 2.173 120.880 118.700 0.011 0.000 2.061 367 N HA -0.181 4.559 4.740 0.001 0.000 0.193 367 N C 1.680 177.195 175.510 0.009 0.000 1.030 367 N CA 2.659 55.717 53.050 0.014 0.000 0.856 367 N CB -0.295 38.204 38.487 0.020 0.000 1.023 367 N HN 1.014 nan 8.380 nan 0.000 0.424 368 A N -0.201 122.623 122.820 0.006 0.000 1.972 368 A HA -0.154 4.167 4.320 0.001 0.000 0.219 368 A C 2.140 179.723 177.584 -0.003 0.000 1.169 368 A CA 1.887 53.926 52.037 0.003 0.000 0.635 368 A CB -0.743 18.258 19.000 0.001 0.000 0.810 368 A HN 0.528 nan 8.150 nan 0.000 0.446 369 E N 0.373 120.573 120.200 0.000 0.000 2.072 369 E HA -0.084 4.267 4.350 0.001 0.000 0.190 369 E C 1.689 178.282 176.600 -0.011 0.000 0.982 369 E CA 1.195 57.596 56.400 0.000 0.000 0.803 369 E CB -0.397 29.310 29.700 0.011 0.000 0.755 369 E HN 0.634 nan 8.360 nan 0.000 0.453 370 I N 0.568 121.130 120.570 -0.014 0.000 2.163 370 I HA -0.283 3.888 4.170 0.001 0.000 0.243 370 I C 2.407 178.454 176.117 -0.117 0.000 1.085 370 I CA 1.181 62.450 61.300 -0.051 0.000 1.347 370 I CB -0.518 37.463 38.000 -0.032 0.000 1.044 370 I HN 0.202 nan 8.210 nan 0.000 0.408 371 A N 0.720 123.496 122.820 -0.073 0.000 1.933 371 A HA -0.243 4.077 4.320 0.001 0.000 0.218 371 A C 2.466 180.010 177.584 -0.067 0.000 1.175 371 A CA 1.702 53.697 52.037 -0.071 0.000 0.628 371 A CB -0.668 18.324 19.000 -0.014 0.000 0.814 371 A HN 0.357 nan 8.150 nan 0.000 0.444 372 R N -0.435 120.039 120.500 -0.042 0.000 2.083 372 R HA -0.183 4.158 4.340 0.001 0.000 0.237 372 R C 2.329 178.605 176.300 -0.039 0.000 1.137 372 R CA 1.939 58.023 56.100 -0.027 0.000 0.951 372 R CB -0.306 29.987 30.300 -0.012 0.000 0.851 372 R HN 0.697 nan 8.270 nan 0.000 0.434 373 Q N -0.378 119.390 119.800 -0.055 0.000 2.123 373 Q HA -0.081 4.259 4.340 0.001 0.000 0.199 373 Q C 2.191 178.133 176.000 -0.096 0.000 0.966 373 Q CA 1.389 57.164 55.803 -0.046 0.000 0.845 373 Q CB 0.171 28.901 28.738 -0.014 0.000 0.907 373 Q HN 0.223 nan 8.270 nan 0.000 0.439 374 V N 1.365 121.142 119.914 -0.229 0.000 2.343 374 V HA -0.264 3.857 4.120 0.001 0.000 0.247 374 V C 2.183 178.199 176.094 -0.131 0.000 1.051 374 V CA 2.041 64.150 62.300 -0.318 0.000 1.036 374 V CB -0.532 30.962 31.823 -0.548 0.000 0.654 374 V HN 0.414 nan 8.190 nan 0.000 0.451 375 E N 0.430 120.577 120.200 -0.088 0.000 2.118 375 E HA -0.232 4.118 4.350 0.001 0.000 0.195 375 E C 2.110 178.703 176.600 -0.011 0.000 0.992 375 E CA 1.330 57.711 56.400 -0.032 0.000 0.804 375 E CB -0.220 29.473 29.700 -0.011 0.000 0.741 375 E HN 0.587 nan 8.360 nan 0.000 0.458 376 A N 0.474 123.287 122.820 -0.011 0.000 2.121 376 A HA -0.044 4.276 4.320 0.001 0.000 0.218 376 A C 1.979 179.575 177.584 0.019 0.000 1.154 376 A CA 0.526 52.568 52.037 0.008 0.000 0.679 376 A CB -0.276 18.731 19.000 0.011 0.000 0.795 376 A HN 0.310 nan 8.150 nan 0.000 0.458 377 L N -0.334 120.901 121.223 0.019 0.000 2.492 377 L HA 0.119 4.460 4.340 0.001 0.000 0.223 377 L C 0.164 177.056 176.870 0.037 0.000 1.132 377 L CA -0.151 54.716 54.840 0.044 0.000 0.850 377 L CB -0.248 41.858 42.059 0.080 0.000 0.966 377 L HN 0.297 nan 8.230 nan 0.000 0.454 378 L N 1.058 122.294 121.223 0.021 0.000 2.477 378 L HA 0.074 4.414 4.340 0.001 0.000 0.272 378 L C 0.640 177.522 176.870 0.020 0.000 1.157 378 L CA 0.177 55.028 54.840 0.018 0.000 0.889 378 L CB 0.231 42.296 42.059 0.010 0.000 1.158 378 L HN 0.195 nan 8.230 nan 0.000 0.473 379 T N -0.155 114.410 114.554 0.020 0.000 2.888 379 T HA 0.441 4.792 4.350 0.001 0.000 0.288 379 T C -2.233 172.473 174.700 0.011 0.000 1.063 379 T CA -1.986 60.124 62.100 0.017 0.000 1.010 379 T CB 2.055 70.935 68.868 0.020 0.000 1.214 379 T HN 0.186 nan 8.240 nan 0.000 0.533 380 P HA 0.044 nan 4.420 nan 0.000 0.226 380 P C 0.709 178.011 177.300 0.004 0.000 1.146 380 P CA 0.782 63.881 63.100 -0.001 0.000 0.773 380 P CB -0.042 31.654 31.700 -0.006 0.000 0.772 381 N N -1.657 117.050 118.700 0.013 0.000 2.235 381 N HA 0.032 4.772 4.740 0.001 0.000 0.209 381 N C -0.444 175.087 175.510 0.035 0.000 1.122 381 N CA 0.163 53.226 53.050 0.021 0.000 0.845 381 N CB 0.009 38.507 38.487 0.019 0.000 1.004 381 N HN -0.116 nan 8.380 nan 0.000 0.499 382 T N -0.477 114.095 114.554 0.030 0.000 2.902 382 T HA 0.448 4.799 4.350 0.001 0.000 0.283 382 T C -0.513 174.201 174.700 0.023 0.000 1.009 382 T CA -0.258 61.863 62.100 0.034 0.000 1.051 382 T CB 1.687 70.571 68.868 0.027 0.000 0.999 382 T HN -0.101 nan 8.240 nan 0.000 0.474 383 T N 2.149 116.710 114.554 0.012 0.000 2.841 383 T HA 0.471 4.822 4.350 0.001 0.000 0.285 383 T C -0.519 174.117 174.700 -0.106 0.000 0.991 383 T CA -0.499 61.559 62.100 -0.070 0.000 0.966 383 T CB 1.185 69.966 68.868 -0.145 0.000 0.962 383 T HN 0.328 nan 8.240 nan 0.000 0.438 384 V N 5.207 125.050 119.914 -0.118 0.000 2.370 384 V HA 0.401 4.521 4.120 0.001 0.000 0.279 384 V C -0.045 175.965 176.094 -0.139 0.000 1.029 384 V CA -0.885 61.359 62.300 -0.093 0.000 0.870 384 V CB 1.022 32.804 31.823 -0.068 0.000 0.984 384 V HN 0.725 nan 8.190 nan 0.000 0.451 385 I N 4.679 125.186 120.570 -0.104 0.000 2.301 385 I HA 0.502 4.673 4.170 0.001 0.000 0.292 385 I C 0.552 176.719 176.117 0.084 0.000 1.046 385 I CA -0.085 61.179 61.300 -0.060 0.000 1.282 385 I CB 1.049 38.949 38.000 -0.167 0.000 1.409 385 I HN 0.654 nan 8.210 nan 0.000 0.484 386 A N 5.760 128.705 122.820 0.209 0.000 2.258 386 A HA 0.500 4.821 4.320 0.001 0.000 0.316 386 A C 0.066 178.004 177.584 0.591 0.000 1.279 386 A CA -0.571 51.670 52.037 0.341 0.000 0.876 386 A CB 0.709 19.908 19.000 0.331 0.000 1.170 386 A HN 0.671 nan 8.150 nan 0.000 0.520 387 E N 1.820 122.271 120.200 0.419 0.000 2.390 387 E HA 0.313 4.663 4.350 0.001 0.000 0.261 387 E C 0.146 176.795 176.600 0.083 0.000 1.076 387 E CA 0.193 56.811 56.400 0.362 0.000 0.905 387 E CB 0.467 30.289 29.700 0.204 0.000 0.984 387 E HN 0.577 nan 8.360 nan 0.000 0.427 388 T N 2.763 117.225 114.554 -0.153 0.000 2.905 388 T HA 0.448 4.799 4.350 0.001 0.000 0.299 388 T C 0.368 174.671 174.700 -0.662 0.000 1.024 388 T CA 0.846 62.360 62.100 -0.977 0.000 1.151 388 T CB -0.038 68.476 68.868 -0.589 0.000 0.987 388 T HN 0.760 nan 8.240 nan 0.000 0.535 389 G N 3.042 111.361 108.800 -0.802 0.000 2.265 389 G HA2 -0.095 3.865 3.960 0.001 0.000 0.246 389 G HA3 -0.095 3.865 3.960 0.001 0.000 0.246 389 G C 0.290 175.187 174.900 -0.006 0.000 1.299 389 G CA 0.010 44.950 45.100 -0.266 0.000 1.117 389 G HN 0.535 nan 8.290 nan 0.000 0.485 390 D N -0.003 120.458 120.400 0.102 0.000 2.218 390 D HA 0.027 4.668 4.640 0.001 0.000 0.204 390 D C 2.543 179.008 176.300 0.274 0.000 0.976 390 D CA 1.867 56.009 54.000 0.237 0.000 0.853 390 D CB -0.091 40.792 40.800 0.138 0.000 0.939 390 D HN 0.273 nan 8.370 nan 0.000 0.481 391 S N -0.369 115.438 115.700 0.179 0.000 2.383 391 S HA -0.172 4.299 4.470 0.001 0.000 0.229 391 S C 1.508 176.321 174.600 0.354 0.000 1.030 391 S CA 0.731 59.060 58.200 0.215 0.000 1.002 391 S CB -0.324 62.985 63.200 0.180 0.000 0.829 391 S HN 0.450 nan 8.310 nan 0.000 0.467 392 W N 1.194 122.553 121.300 0.099 0.000 2.304 392 W HA -0.097 4.564 4.660 0.001 0.000 0.315 392 W C 1.873 178.308 176.519 -0.140 0.000 1.233 392 W CA 0.578 57.870 57.345 -0.089 0.000 1.261 392 W CB -1.369 27.768 29.460 -0.539 0.000 1.150 392 W HN 0.343 nan 8.180 nan 0.000 0.494 393 F N -0.078 120.052 119.950 0.299 0.000 2.293 393 F HA -0.108 4.420 4.527 0.001 0.000 0.297 393 F C 2.164 178.065 175.800 0.168 0.000 1.089 393 F CA 1.016 59.132 58.000 0.193 0.000 1.377 393 F CB -1.044 38.004 39.000 0.079 0.000 1.051 393 F HN -0.197 nan 8.300 nan 0.000 0.511 394 N N 0.726 119.608 118.700 0.304 0.000 2.084 394 N HA -0.146 4.594 4.740 0.001 0.000 0.190 394 N C 2.073 177.681 175.510 0.162 0.000 1.030 394 N CA 1.488 54.649 53.050 0.186 0.000 0.849 394 N CB -0.708 37.854 38.487 0.126 0.000 1.012 394 N HN 0.267 nan 8.380 nan 0.000 0.423 395 A N 0.603 123.534 122.820 0.186 0.000 1.930 395 A HA -0.153 4.167 4.320 0.001 0.000 0.217 395 A C 2.195 179.882 177.584 0.172 0.000 1.175 395 A CA 1.373 53.493 52.037 0.140 0.000 0.627 395 A CB -0.538 18.534 19.000 0.120 0.000 0.815 395 A HN 0.231 nan 8.150 nan 0.000 0.443 396 Q N 0.027 119.976 119.800 0.248 0.000 2.226 396 Q HA -0.060 4.280 4.340 0.001 0.000 0.204 396 Q C 1.913 178.107 176.000 0.323 0.000 0.975 396 Q CA 1.561 57.519 55.803 0.258 0.000 0.866 396 Q CB -0.244 28.645 28.738 0.251 0.000 0.915 396 Q HN 0.662 nan 8.270 nan 0.000 0.440 397 R N -1.077 119.585 120.500 0.270 0.000 2.299 397 R HA 0.180 4.520 4.340 0.001 0.000 0.197 397 R C 0.059 176.475 176.300 0.193 0.000 0.971 397 R CA -0.027 56.209 56.100 0.227 0.000 1.030 397 R CB 0.093 30.470 30.300 0.128 0.000 0.932 397 R HN 0.276 nan 8.270 nan 0.000 0.477 398 M N 1.208 120.913 119.600 0.174 0.000 2.211 398 M HA 0.110 4.590 4.480 0.001 0.000 0.356 398 M C 0.085 176.478 176.300 0.156 0.000 1.216 398 M CA -0.352 55.021 55.300 0.122 0.000 1.134 398 M CB 1.036 33.676 32.600 0.067 0.000 1.564 398 M HN -0.350 nan 8.290 nan 0.000 0.463 399 K N 4.027 124.506 120.400 0.132 0.000 2.316 399 K HA 0.378 4.699 4.320 0.001 0.000 0.289 399 K C -1.400 175.249 176.600 0.082 0.000 1.070 399 K CA 0.108 56.478 56.287 0.139 0.000 0.928 399 K CB 0.126 32.703 32.500 0.128 0.000 1.039 399 K HN 0.598 nan 8.250 nan 0.000 0.480 400 L N 7.690 128.951 121.223 0.064 0.000 2.276 400 L HA 0.415 4.755 4.340 0.001 0.000 0.286 400 L C -1.946 174.929 176.870 0.009 0.000 1.061 400 L CA -2.361 52.490 54.840 0.019 0.000 0.807 400 L CB 1.202 43.254 42.059 -0.011 0.000 1.177 400 L HN 0.557 nan 8.230 nan 0.000 0.429 401 P HA 0.065 nan 4.420 nan 0.000 0.271 401 P C -0.808 176.478 177.300 -0.022 0.000 1.216 401 P CA -0.438 62.661 63.100 -0.002 0.000 0.776 401 P CB 0.352 32.054 31.700 0.003 0.000 0.881 402 N N 1.665 120.344 118.700 -0.035 0.000 2.359 402 N HA 0.216 4.956 4.740 0.001 0.000 0.261 402 N C 1.611 177.094 175.510 -0.044 0.000 1.267 402 N CA 1.813 54.828 53.050 -0.058 0.000 0.864 402 N CB -0.272 38.174 38.487 -0.069 0.000 1.063 402 N HN 0.753 nan 8.380 nan 0.000 0.474 403 G N 0.171 108.942 108.800 -0.048 0.000 2.284 403 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 403 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 403 G C 0.225 175.116 174.900 -0.015 0.000 1.009 403 G CA 0.060 45.141 45.100 -0.032 0.000 0.625 403 G HN 0.902 nan 8.290 nan 0.000 0.501 404 A N 1.326 124.136 122.820 -0.016 0.000 2.477 404 A HA 0.659 4.980 4.320 0.001 0.000 0.246 404 A C 0.611 178.187 177.584 -0.013 0.000 1.078 404 A CA 0.418 52.450 52.037 -0.009 0.000 0.770 404 A CB 0.281 19.274 19.000 -0.011 0.000 1.011 404 A HN 0.437 nan 8.150 nan 0.000 0.494 405 R N 1.195 121.688 120.500 -0.012 0.000 2.711 405 R HA 0.637 4.978 4.340 0.001 0.000 0.284 405 R C -1.336 174.913 176.300 -0.085 0.000 0.968 405 R CA -0.733 55.357 56.100 -0.016 0.000 0.924 405 R CB 1.631 31.949 30.300 0.030 0.000 1.162 405 R HN 0.423 nan 8.270 nan 0.000 0.465 406 V N 2.251 122.088 119.914 -0.128 0.000 2.604 406 V HA 0.319 4.440 4.120 0.001 0.000 0.305 406 V C -0.291 175.631 176.094 -0.287 0.000 1.043 406 V CA -0.813 61.322 62.300 -0.275 0.000 0.888 406 V CB 2.245 33.813 31.823 -0.425 0.000 0.995 406 V HN 0.535 nan 8.190 nan 0.000 0.429 407 E N 3.345 123.386 120.200 -0.266 0.000 2.145 407 E HA 0.494 4.845 4.350 0.001 0.000 0.270 407 E C -1.603 174.988 176.600 -0.016 0.000 0.906 407 E CA -0.409 55.950 56.400 -0.069 0.000 0.761 407 E CB 2.061 31.794 29.700 0.054 0.000 1.116 407 E HN 0.518 nan 8.360 nan 0.000 0.408 408 Y N 0.385 120.683 120.300 -0.004 0.000 2.468 408 Y HA 0.239 4.790 4.550 0.001 0.000 0.342 408 Y C 0.711 176.369 175.900 -0.405 0.000 1.021 408 Y CA -0.980 57.005 58.100 -0.191 0.000 1.079 408 Y CB 1.677 39.876 38.460 -0.435 0.000 1.226 408 Y HN 0.399 nan 8.280 nan 0.000 0.460 409 E N 3.284 123.221 120.200 -0.439 0.000 3.312 409 E HA 0.210 4.560 4.350 0.001 0.000 0.215 409 E C 0.098 176.605 176.600 -0.155 0.000 1.160 409 E CA 0.052 56.090 56.400 -0.603 0.000 1.267 409 E CB 0.131 28.943 29.700 -1.480 0.000 1.361 409 E HN 0.823 nan 8.360 nan 0.000 0.433 410 M N 0.636 120.097 119.600 -0.231 0.000 2.558 410 M HA -0.063 4.417 4.480 0.001 0.000 0.255 410 M C 1.870 178.125 176.300 -0.075 0.000 1.113 410 M CA 0.741 55.864 55.300 -0.295 0.000 1.097 410 M CB 0.333 32.437 32.600 -0.826 0.000 1.426 410 M HN 0.185 nan 8.290 nan 0.000 0.488 411 Q N -0.001 119.780 119.800 -0.032 0.000 2.134 411 Q HA -0.106 4.234 4.340 0.001 0.000 0.195 411 Q C 1.765 177.860 176.000 0.159 0.000 0.958 411 Q CA 1.530 57.357 55.803 0.039 0.000 0.840 411 Q CB -0.266 28.507 28.738 0.058 0.000 0.918 411 Q HN 0.628 nan 8.270 nan 0.000 0.467 412 W N 0.410 121.695 121.300 -0.026 0.000 2.441 412 W HA 0.102 4.762 4.660 0.001 0.000 0.302 412 W C 0.542 177.097 176.519 0.059 0.000 1.191 412 W CA 1.375 58.739 57.345 0.033 0.000 1.327 412 W CB 0.021 29.522 29.460 0.068 0.000 1.128 412 W HN 0.375 nan 8.180 nan 0.000 0.522 413 G N 1.557 110.460 108.800 0.172 0.000 2.295 413 G HA2 -0.327 3.633 3.960 0.001 0.000 0.287 413 G HA3 -0.327 3.633 3.960 0.001 0.000 0.287 413 G C -0.197 174.723 174.900 0.033 0.000 1.055 413 G CA 0.418 45.602 45.100 0.140 0.000 0.922 413 G HN 0.550 nan 8.290 nan 0.000 0.503 414 H N 0.684 119.762 119.070 0.012 0.000 2.864 414 H HA 0.388 4.944 4.556 0.001 0.000 0.281 414 H C 1.362 176.737 175.328 0.079 0.000 1.093 414 H CA -0.176 55.904 56.048 0.055 0.000 1.453 414 H CB 0.277 30.238 29.762 0.331 0.000 1.462 414 H HN 0.641 nan 8.280 nan 0.000 0.480 415 I N 1.479 122.111 120.570 0.102 0.000 2.648 415 I HA 0.265 4.436 4.170 0.001 0.000 0.284 415 I C 1.124 177.414 176.117 0.289 0.000 1.153 415 I CA 0.829 62.212 61.300 0.140 0.000 1.426 415 I CB 0.699 38.706 38.000 0.012 0.000 1.381 415 I HN 0.760 nan 8.210 nan 0.000 0.571 416 G N 4.877 113.800 108.800 0.206 0.000 2.213 416 G HA2 -0.341 3.619 3.960 0.001 0.000 0.236 416 G HA3 -0.341 3.619 3.960 0.001 0.000 0.236 416 G C 0.384 175.307 174.900 0.039 0.000 0.991 416 G CA 0.488 45.676 45.100 0.147 0.000 0.629 416 G HN 1.094 nan 8.290 nan 0.000 0.517 417 W N 2.739 123.890 121.300 -0.249 0.000 2.321 417 W HA -0.146 4.514 4.660 0.001 0.000 0.306 417 W C 2.550 178.903 176.519 -0.277 0.000 1.217 417 W CA 3.477 60.418 57.345 -0.673 0.000 1.257 417 W CB -0.508 28.588 29.460 -0.606 0.000 1.145 417 W HN 0.701 nan 8.180 nan 0.000 0.509 418 S N -0.103 115.439 115.700 -0.264 0.000 2.399 418 S HA -0.214 4.257 4.470 0.001 0.000 0.231 418 S C 1.679 176.025 174.600 -0.422 0.000 1.022 418 S CA 1.669 59.510 58.200 -0.598 0.000 0.983 418 S CB -1.055 62.115 63.200 -0.051 0.000 0.803 418 S HN 0.197 nan 8.310 nan 0.000 0.480 419 V N 3.205 122.994 119.914 -0.208 0.000 2.255 419 V HA -0.010 4.111 4.120 0.001 0.000 0.243 419 V C -0.398 175.641 176.094 -0.092 0.000 1.038 419 V CA 1.681 63.924 62.300 -0.096 0.000 1.008 419 V CB -1.698 30.079 31.823 -0.076 0.000 0.645 419 V HN 0.382 nan 8.190 nan 0.000 0.449 420 P HA -0.079 nan 4.420 nan 0.000 0.218 420 P C 1.601 178.877 177.300 -0.041 0.000 1.149 420 P CA 1.827 64.933 63.100 0.010 0.000 0.817 420 P CB -0.134 31.613 31.700 0.078 0.000 0.785 421 A N 0.350 122.967 122.820 -0.337 0.000 1.902 421 A HA -0.101 4.220 4.320 0.001 0.000 0.217 421 A C 2.355 179.801 177.584 -0.230 0.000 1.181 421 A CA 2.124 53.897 52.037 -0.441 0.000 0.623 421 A CB -1.599 16.623 19.000 -1.296 0.000 0.818 421 A HN 0.199 nan 8.150 nan 0.000 0.443 422 A N -1.053 121.628 122.820 -0.232 0.000 1.933 422 A HA -0.014 4.306 4.320 0.001 0.000 0.218 422 A C 2.019 179.658 177.584 0.091 0.000 1.175 422 A CA 1.614 53.614 52.037 -0.062 0.000 0.628 422 A CB -0.720 18.247 19.000 -0.055 0.000 0.814 422 A HN 0.727 nan 8.150 nan 0.000 0.444 423 F N 1.303 121.234 119.950 -0.032 0.000 2.046 423 F HA -0.071 4.456 4.527 0.001 0.000 0.297 423 F C 2.295 178.140 175.800 0.074 0.000 1.123 423 F CA 1.750 59.762 58.000 0.021 0.000 1.199 423 F CB -0.946 38.053 39.000 -0.002 0.000 0.972 423 F HN 0.176 nan 8.300 nan 0.000 0.474 424 G N -1.352 107.340 108.800 -0.179 0.000 2.418 424 G HA2 -0.358 3.602 3.960 0.001 0.000 0.217 424 G HA3 -0.358 3.602 3.960 0.001 0.000 0.217 424 G C 1.650 176.549 174.900 -0.001 0.000 1.158 424 G CA 0.966 45.934 45.100 -0.220 0.000 0.771 424 G HN 0.527 nan 8.290 nan 0.000 0.545 425 Y N 1.895 122.141 120.300 -0.090 0.000 2.128 425 Y HA -0.039 4.512 4.550 0.001 0.000 0.284 425 Y C 2.962 178.802 175.900 -0.099 0.000 1.154 425 Y CA 1.598 59.650 58.100 -0.081 0.000 1.149 425 Y CB -0.273 38.146 38.460 -0.068 0.000 0.976 425 Y HN 0.249 nan 8.280 nan 0.000 0.505 426 A N -0.980 121.895 122.820 0.091 0.000 1.969 426 A HA -0.132 4.188 4.320 0.001 0.000 0.218 426 A C 2.295 179.810 177.584 -0.116 0.000 1.169 426 A CA 1.753 53.803 52.037 0.022 0.000 0.635 426 A CB -1.228 17.812 19.000 0.067 0.000 0.810 426 A HN 0.333 nan 8.150 nan 0.000 0.445 427 V N -0.319 119.464 119.914 -0.217 0.000 2.407 427 V HA -0.168 3.953 4.120 0.001 0.000 0.248 427 V C 2.654 178.585 176.094 -0.271 0.000 1.055 427 V CA 1.991 64.109 62.300 -0.304 0.000 1.049 427 V CB -1.103 30.459 31.823 -0.435 0.000 0.662 427 V HN 0.616 nan 8.190 nan 0.000 0.455 428 G N -1.064 107.588 108.800 -0.246 0.000 2.603 428 G HA2 0.257 4.218 3.960 0.001 0.000 0.214 428 G HA3 0.257 4.218 3.960 0.001 0.000 0.214 428 G C 0.718 175.371 174.900 -0.411 0.000 1.140 428 G CA 0.728 45.539 45.100 -0.483 0.000 0.800 428 G HN 0.652 nan 8.290 nan 0.000 0.533 429 A N 0.454 123.047 122.820 -0.377 0.000 3.355 429 A HA 0.651 4.971 4.320 0.001 0.000 0.290 429 A C -1.704 175.810 177.584 -0.117 0.000 0.973 429 A CA -0.813 51.055 52.037 -0.281 0.000 0.933 429 A CB 1.059 19.796 19.000 -0.438 0.000 1.138 429 A HN 0.041 nan 8.150 nan 0.000 0.490 430 P HA -0.134 nan 4.420 nan 0.000 0.226 430 P C 1.293 178.590 177.300 -0.005 0.000 1.153 430 P CA 1.037 64.122 63.100 -0.026 0.000 0.777 430 P CB 0.290 31.979 31.700 -0.018 0.000 0.794 431 E N 0.397 120.587 120.200 -0.016 0.000 2.427 431 E HA -0.073 4.277 4.350 0.001 0.000 0.196 431 E C 0.482 177.089 176.600 0.012 0.000 1.028 431 E CA 0.499 56.897 56.400 -0.004 0.000 0.864 431 E CB -0.187 29.504 29.700 -0.015 0.000 0.813 431 E HN 0.271 nan 8.360 nan 0.000 0.514 432 R N 0.782 121.298 120.500 0.026 0.000 2.596 432 R HA 0.383 4.724 4.340 0.001 0.000 0.267 432 R C 0.241 176.580 176.300 0.065 0.000 1.026 432 R CA -0.816 55.317 56.100 0.055 0.000 1.087 432 R CB 1.196 31.557 30.300 0.101 0.000 1.132 432 R HN -0.044 nan 8.270 nan 0.000 0.531 433 R N 2.082 122.620 120.500 0.063 0.000 2.248 433 R HA 0.082 4.422 4.340 0.001 0.000 0.337 433 R C -0.963 175.383 176.300 0.076 0.000 1.085 433 R CA -0.200 55.939 56.100 0.065 0.000 0.934 433 R CB 0.194 30.529 30.300 0.058 0.000 1.034 433 R HN 0.484 nan 8.270 nan 0.000 0.465 434 N N 6.088 124.837 118.700 0.083 0.000 2.437 434 N HA 0.268 5.008 4.740 0.001 0.000 0.259 434 N C -0.661 174.889 175.510 0.068 0.000 0.983 434 N CA -0.199 52.898 53.050 0.078 0.000 0.937 434 N CB 1.498 40.056 38.487 0.119 0.000 1.122 434 N HN 0.526 nan 8.380 nan 0.000 0.499 435 I N 2.243 122.848 120.570 0.059 0.000 2.433 435 I HA 0.292 4.462 4.170 0.001 0.000 0.292 435 I C -0.588 175.586 176.117 0.095 0.000 1.001 435 I CA -1.020 60.354 61.300 0.123 0.000 1.119 435 I CB 1.956 40.066 38.000 0.184 0.000 1.289 435 I HN 0.162 nan 8.210 nan 0.000 0.438 436 L N 7.758 129.061 121.223 0.133 0.000 2.325 436 L HA 0.567 4.908 4.340 0.001 0.000 0.281 436 L C -0.933 176.052 176.870 0.192 0.000 1.004 436 L CA -0.213 54.692 54.840 0.108 0.000 0.823 436 L CB 1.325 43.426 42.059 0.070 0.000 1.236 436 L HN 0.523 nan 8.230 nan 0.000 0.415 437 M N 6.241 125.939 119.600 0.165 0.000 2.101 437 M HA 0.550 5.030 4.480 0.001 0.000 0.340 437 M C -1.173 175.211 176.300 0.140 0.000 1.057 437 M CA -0.613 54.789 55.300 0.170 0.000 0.984 437 M CB 1.752 34.428 32.600 0.127 0.000 1.560 437 M HN 0.497 nan 8.290 nan 0.000 0.435 438 V N 2.833 122.811 119.914 0.107 0.000 2.851 438 V HA 0.806 4.926 4.120 0.001 0.000 0.307 438 V C -0.230 175.869 176.094 0.009 0.000 1.129 438 V CA -0.341 62.011 62.300 0.086 0.000 0.932 438 V CB 2.319 34.225 31.823 0.137 0.000 1.024 438 V HN 0.925 nan 8.190 nan 0.000 0.426 439 G N 3.303 112.104 108.800 0.000 0.000 2.539 439 G HA2 0.341 4.302 3.960 0.001 0.000 0.258 439 G HA3 0.341 4.302 3.960 0.001 0.000 0.258 439 G C 0.616 175.444 174.900 -0.121 0.000 1.202 439 G CA 0.426 45.490 45.100 -0.060 0.000 0.851 439 G HN 0.987 nan 8.290 nan 0.000 0.556 440 D N 0.829 121.088 120.400 -0.235 0.000 2.104 440 D HA -0.141 4.499 4.640 0.001 0.000 0.194 440 D C 2.266 178.470 176.300 -0.159 0.000 0.994 440 D CA 1.624 55.389 54.000 -0.392 0.000 0.830 440 D CB -1.065 39.486 40.800 -0.415 0.000 0.959 440 D HN 0.488 nan 8.370 nan 0.000 0.452 441 G N 0.109 108.856 108.800 -0.088 0.000 2.446 441 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 441 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 441 G C 1.822 176.705 174.900 -0.028 0.000 1.168 441 G CA 1.553 46.618 45.100 -0.059 0.000 0.771 441 G HN 0.409 nan 8.290 nan 0.000 0.551 442 S N 0.430 116.130 115.700 -0.000 0.000 2.368 442 S HA -0.060 4.410 4.470 0.001 0.000 0.224 442 S C 1.896 176.540 174.600 0.073 0.000 1.029 442 S CA 0.906 59.130 58.200 0.041 0.000 0.988 442 S CB -0.420 62.812 63.200 0.053 0.000 0.838 442 S HN 0.376 nan 8.310 nan 0.000 0.462 443 F N 2.712 122.616 119.950 -0.077 0.000 2.154 443 F HA -0.216 4.312 4.527 0.001 0.000 0.301 443 F C 2.371 178.166 175.800 -0.009 0.000 1.087 443 F CA 1.594 59.565 58.000 -0.049 0.000 1.274 443 F CB -0.442 38.480 39.000 -0.131 0.000 1.009 443 F HN 0.199 nan 8.300 nan 0.000 0.485 444 Q N -0.343 119.423 119.800 -0.057 0.000 2.226 444 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 444 Q C 2.096 178.111 176.000 0.026 0.000 0.975 444 Q CA 1.333 57.036 55.803 -0.168 0.000 0.866 444 Q CB -0.277 28.250 28.738 -0.352 0.000 0.915 444 Q HN 0.405 nan 8.270 nan 0.000 0.440 445 L N -0.084 121.155 121.223 0.026 0.000 2.201 445 L HA -0.107 4.233 4.340 0.001 0.000 0.212 445 L C 1.857 178.779 176.870 0.087 0.000 1.105 445 L CA 1.755 56.652 54.840 0.095 0.000 0.775 445 L CB -0.071 42.073 42.059 0.141 0.000 0.913 445 L HN 0.297 nan 8.230 nan 0.000 0.440 446 T N -6.171 108.378 114.554 -0.009 0.000 3.332 446 T HA 0.373 4.724 4.350 0.001 0.000 0.304 446 T C 1.426 176.025 174.700 -0.168 0.000 0.971 446 T CA 0.196 62.277 62.100 -0.031 0.000 0.954 446 T CB 0.055 68.924 68.868 0.001 0.000 1.175 446 T HN 0.042 nan 8.240 nan 0.000 0.519 447 A N 2.788 125.449 122.820 -0.265 0.000 1.958 447 A HA -0.222 4.099 4.320 0.001 0.000 0.221 447 A C 2.457 179.973 177.584 -0.113 0.000 1.178 447 A CA 1.915 53.672 52.037 -0.466 0.000 0.642 447 A CB -0.628 18.265 19.000 -0.178 0.000 0.816 447 A HN 0.706 nan 8.150 nan 0.000 0.453 448 Q N -0.613 119.162 119.800 -0.041 0.000 2.364 448 Q HA -0.189 4.151 4.340 0.001 0.000 0.209 448 Q C 1.225 176.976 176.000 -0.415 0.000 0.977 448 Q CA 1.727 57.412 55.803 -0.197 0.000 0.885 448 Q CB -0.408 28.281 28.738 -0.082 0.000 0.941 448 Q HN 0.597 nan 8.270 nan 0.000 0.464 449 E N 0.899 120.921 120.200 -0.297 0.000 2.347 449 E HA -0.023 4.328 4.350 0.001 0.000 0.196 449 E C 1.844 178.205 176.600 -0.399 0.000 1.008 449 E CA 0.340 56.518 56.400 -0.369 0.000 0.852 449 E CB -0.047 29.495 29.700 -0.264 0.000 0.783 449 E HN 0.221 nan 8.360 nan 0.000 0.505 450 V N 0.359 120.108 119.914 -0.275 0.000 2.490 450 V HA -0.281 3.839 4.120 0.001 0.000 0.250 450 V C 2.238 178.167 176.094 -0.276 0.000 1.061 450 V CA 1.626 63.859 62.300 -0.111 0.000 1.064 450 V CB -0.807 31.159 31.823 0.238 0.000 0.670 450 V HN 0.381 nan 8.190 nan 0.000 0.461 451 A N -0.556 121.820 122.820 -0.741 0.000 1.978 451 A HA -0.251 4.070 4.320 0.001 0.000 0.220 451 A C 2.184 179.577 177.584 -0.317 0.000 1.170 451 A CA 1.621 53.276 52.037 -0.637 0.000 0.636 451 A CB -0.359 18.103 19.000 -0.896 0.000 0.810 451 A HN 0.547 nan 8.150 nan 0.000 0.448 452 Q N -0.700 118.849 119.800 -0.419 0.000 2.172 452 Q HA -0.034 4.307 4.340 0.001 0.000 0.200 452 Q C 2.117 178.032 176.000 -0.142 0.000 0.964 452 Q CA 1.334 56.891 55.803 -0.409 0.000 0.855 452 Q CB -0.514 27.635 28.738 -0.981 0.000 0.918 452 Q HN 0.796 nan 8.270 nan 0.000 0.444 453 M N -0.115 119.429 119.600 -0.093 0.000 2.108 453 M HA -0.156 4.325 4.480 0.001 0.000 0.261 453 M C 2.243 178.617 176.300 0.124 0.000 1.066 453 M CA 1.180 56.586 55.300 0.178 0.000 1.107 453 M CB -0.398 32.302 32.600 0.167 0.000 1.356 453 M HN -0.030 nan 8.290 nan 0.000 0.406 454 V N 0.131 120.085 119.914 0.066 0.000 2.295 454 V HA -0.282 3.839 4.120 0.001 0.000 0.246 454 V C 2.411 178.551 176.094 0.076 0.000 1.049 454 V CA 1.983 64.332 62.300 0.082 0.000 1.024 454 V CB -0.833 31.046 31.823 0.094 0.000 0.648 454 V HN 0.471 nan 8.190 nan 0.000 0.447 455 R N -0.190 120.343 120.500 0.054 0.000 2.091 455 R HA -0.127 4.214 4.340 0.001 0.000 0.238 455 R C 1.903 178.259 176.300 0.094 0.000 1.136 455 R CA 1.593 57.732 56.100 0.066 0.000 0.959 455 R CB -0.155 30.172 30.300 0.045 0.000 0.856 455 R HN 0.458 nan 8.270 nan 0.000 0.437 456 L N 0.488 121.790 121.223 0.132 0.000 2.628 456 L HA 0.158 4.498 4.340 0.001 0.000 0.229 456 L C 0.050 176.983 176.870 0.106 0.000 1.137 456 L CA 0.114 55.034 54.840 0.133 0.000 0.909 456 L CB 0.155 42.327 42.059 0.189 0.000 1.137 456 L HN 0.160 nan 8.230 nan 0.000 0.470 457 K N 0.747 121.207 120.400 0.100 0.000 3.125 457 K HA -0.163 4.158 4.320 0.001 0.000 0.268 457 K C -0.474 176.175 176.600 0.082 0.000 1.078 457 K CA 0.400 56.736 56.287 0.082 0.000 0.775 457 K CB -1.907 30.632 32.500 0.064 0.000 1.253 457 K HN 0.292 nan 8.250 nan 0.000 0.486 458 L N 0.864 122.150 121.223 0.105 0.000 2.281 458 L HA 0.246 4.586 4.340 0.001 0.000 0.285 458 L C -1.631 175.292 176.870 0.088 0.000 1.074 458 L CA -2.156 52.743 54.840 0.097 0.000 0.817 458 L CB 0.478 42.615 42.059 0.129 0.000 1.168 458 L HN -0.144 nan 8.230 nan 0.000 0.434 459 P HA 0.072 nan 4.420 nan 0.000 0.226 459 P C -0.190 177.144 177.300 0.057 0.000 1.758 459 P CA -0.109 63.025 63.100 0.057 0.000 0.896 459 P CB -0.103 31.625 31.700 0.047 0.000 1.784 460 V N 1.555 121.511 119.914 0.071 0.000 2.637 460 V HA 0.052 4.172 4.120 0.001 0.000 0.296 460 V C 0.973 177.083 176.094 0.027 0.000 1.046 460 V CA 0.033 62.372 62.300 0.066 0.000 1.066 460 V CB 0.425 32.303 31.823 0.092 0.000 0.968 460 V HN 0.186 nan 8.190 nan 0.000 0.483 461 I N 5.977 126.549 120.570 0.004 0.000 2.312 461 I HA 0.408 4.578 4.170 0.001 0.000 0.290 461 I C -0.253 175.778 176.117 -0.144 0.000 1.008 461 I CA -0.115 61.125 61.300 -0.101 0.000 1.226 461 I CB 0.959 38.900 38.000 -0.099 0.000 1.371 461 I HN 0.438 nan 8.210 nan 0.000 0.468 462 I N 6.500 126.938 120.570 -0.221 0.000 2.330 462 I HA 0.277 4.448 4.170 0.001 0.000 0.289 462 I C -0.742 175.180 176.117 -0.325 0.000 1.001 462 I CA -0.425 60.787 61.300 -0.147 0.000 1.193 462 I CB 0.816 38.794 38.000 -0.036 0.000 1.345 462 I HN 0.365 nan 8.210 nan 0.000 0.461 463 F N 6.810 126.746 119.950 -0.024 0.000 2.368 463 F HA 0.249 4.776 4.527 0.001 0.000 0.362 463 F C 0.119 175.857 175.800 -0.104 0.000 1.137 463 F CA -0.498 57.473 58.000 -0.049 0.000 1.161 463 F CB 0.728 39.716 39.000 -0.019 0.000 1.265 463 F HN 0.304 nan 8.300 nan 0.000 0.530 464 L N 6.192 127.361 121.223 -0.089 0.000 2.261 464 L HA 0.387 4.727 4.340 0.001 0.000 0.289 464 L C -0.545 176.186 176.870 -0.232 0.000 1.059 464 L CA -0.391 54.290 54.840 -0.266 0.000 0.816 464 L CB 0.345 42.082 42.059 -0.537 0.000 1.191 464 L HN 0.355 nan 8.230 nan 0.000 0.431 465 I N 5.383 125.848 120.570 -0.175 0.000 2.308 465 I HA 0.123 4.293 4.170 0.001 0.000 0.293 465 I C 0.497 176.484 176.117 -0.217 0.000 1.078 465 I CA -0.125 61.094 61.300 -0.135 0.000 1.292 465 I CB 0.055 38.030 38.000 -0.043 0.000 1.423 465 I HN 0.537 nan 8.210 nan 0.000 0.493 466 N N 6.723 125.252 118.700 -0.286 0.000 2.645 466 N HA 0.091 4.831 4.740 0.001 0.000 0.233 466 N C 0.203 175.662 175.510 -0.084 0.000 1.058 466 N CA -0.231 52.654 53.050 -0.276 0.000 0.942 466 N CB 0.214 38.382 38.487 -0.532 0.000 1.210 466 N HN 0.458 nan 8.380 nan 0.000 0.512 467 N N 2.926 121.642 118.700 0.026 0.000 2.328 467 N HA 0.016 4.757 4.740 0.001 0.000 0.247 467 N C -0.392 175.266 175.510 0.247 0.000 1.165 467 N CA -0.613 52.509 53.050 0.120 0.000 0.873 467 N CB -0.531 38.023 38.487 0.111 0.000 1.125 467 N HN 0.317 nan 8.380 nan 0.000 0.513 468 Y N 1.473 121.812 120.300 0.064 0.000 3.389 468 Y HA -0.171 4.379 4.550 0.001 0.000 0.213 468 Y C 1.175 177.128 175.900 0.089 0.000 1.272 468 Y CA 0.851 59.005 58.100 0.091 0.000 1.444 468 Y CB -1.641 36.881 38.460 0.104 0.000 1.445 468 Y HN 0.658 nan 8.280 nan 0.000 0.583 469 G N -0.051 108.794 108.800 0.075 0.000 2.143 469 G HA2 -0.374 3.587 3.960 0.001 0.000 0.248 469 G HA3 -0.374 3.587 3.960 0.001 0.000 0.248 469 G C -0.056 174.839 174.900 -0.009 0.000 0.991 469 G CA -0.037 45.044 45.100 -0.031 0.000 0.689 469 G HN 1.033 nan 8.290 nan 0.000 0.522 470 Y N 2.767 123.047 120.300 -0.033 0.000 2.537 470 Y HA 0.451 5.001 4.550 0.001 0.000 0.339 470 Y C 1.091 176.979 175.900 -0.020 0.000 1.066 470 Y CA 0.833 58.920 58.100 -0.022 0.000 1.357 470 Y CB 0.483 38.948 38.460 0.008 0.000 1.175 470 Y HN 0.457 nan 8.280 nan 0.000 0.525 471 T N 2.324 116.563 114.554 -0.525 0.000 2.888 471 T HA 0.238 4.589 4.350 0.001 0.000 0.288 471 T C 0.582 174.982 174.700 -0.500 0.000 1.063 471 T CA -0.795 61.096 62.100 -0.349 0.000 1.010 471 T CB 1.168 69.925 68.868 -0.186 0.000 1.214 471 T HN 0.517 nan 8.240 nan 0.000 0.533 472 I N 0.869 121.297 120.570 -0.237 0.000 2.454 472 I HA -0.019 4.152 4.170 0.001 0.000 0.254 472 I C 2.031 178.051 176.117 -0.160 0.000 1.156 472 I CA 1.472 62.669 61.300 -0.172 0.000 1.433 472 I CB -0.961 37.007 38.000 -0.054 0.000 1.082 472 I HN 0.765 nan 8.210 nan 0.000 0.432 473 E N -0.261 119.856 120.200 -0.139 0.000 2.153 473 E HA -0.155 4.196 4.350 0.001 0.000 0.194 473 E C 2.296 178.854 176.600 -0.071 0.000 0.988 473 E CA 1.299 57.667 56.400 -0.053 0.000 0.811 473 E CB -0.388 29.305 29.700 -0.013 0.000 0.746 473 E HN 0.380 nan 8.360 nan 0.000 0.466 474 V N 0.663 120.439 119.914 -0.230 0.000 2.490 474 V HA -0.249 3.871 4.120 0.001 0.000 0.250 474 V C 2.184 178.212 176.094 -0.110 0.000 1.061 474 V CA 1.923 64.091 62.300 -0.219 0.000 1.064 474 V CB -0.390 31.174 31.823 -0.432 0.000 0.670 474 V HN 0.360 nan 8.190 nan 0.000 0.461 475 M N -0.016 119.512 119.600 -0.120 0.000 2.325 475 M HA 0.010 4.490 4.480 0.001 0.000 0.265 475 M C 2.009 178.301 176.300 -0.014 0.000 1.094 475 M CA 1.820 57.113 55.300 -0.011 0.000 1.161 475 M CB 0.103 32.719 32.600 0.028 0.000 1.358 475 M HN 0.424 nan 8.290 nan 0.000 0.446 476 I N -3.531 117.029 120.570 -0.017 0.000 3.265 476 I HA 0.103 4.274 4.170 0.001 0.000 0.282 476 I C 0.285 176.418 176.117 0.027 0.000 1.207 476 I CA 0.588 61.885 61.300 -0.005 0.000 1.449 476 I CB -0.139 37.855 38.000 -0.011 0.000 1.121 476 I HN 0.260 nan 8.210 nan 0.000 0.442 477 H N 1.505 120.565 119.070 -0.018 0.000 2.490 477 H HA 0.326 4.882 4.556 0.001 0.000 0.230 477 H C -1.204 174.153 175.328 0.048 0.000 1.417 477 H CA -0.631 55.433 56.048 0.027 0.000 1.449 477 H CB 0.270 30.059 29.762 0.045 0.000 1.649 477 H HN 0.131 nan 8.280 nan 0.000 0.519 478 D N 1.134 121.571 120.400 0.062 0.000 2.382 478 D HA 0.467 5.108 4.640 0.001 0.000 0.245 478 D C 0.359 176.592 176.300 -0.111 0.000 1.120 478 D CA 0.856 54.843 54.000 -0.020 0.000 0.890 478 D CB 1.226 41.994 40.800 -0.053 0.000 1.201 478 D HN 0.711 nan 8.370 nan 0.000 0.433 479 G N 2.130 110.692 108.800 -0.396 0.000 2.547 479 G HA2 0.310 4.270 3.960 0.001 0.000 0.291 479 G HA3 0.310 4.270 3.960 0.001 0.000 0.291 479 G C -2.370 172.038 174.900 -0.820 0.000 1.471 479 G CA -0.902 43.702 45.100 -0.826 0.000 0.798 479 G HN 0.226 nan 8.290 nan 0.000 0.504 480 P HA -0.070 nan 4.420 nan 0.000 0.219 480 P C 1.266 178.418 177.300 -0.247 0.000 1.146 480 P CA 1.209 64.128 63.100 -0.302 0.000 0.808 480 P CB -0.116 31.493 31.700 -0.152 0.000 0.779 481 Y N -1.899 118.390 120.300 -0.018 0.000 2.571 481 Y HA 0.071 4.622 4.550 0.001 0.000 0.294 481 Y C 1.526 177.396 175.900 -0.050 0.000 1.141 481 Y CA 0.155 58.237 58.100 -0.029 0.000 1.308 481 Y CB -2.047 36.395 38.460 -0.030 0.000 1.002 481 Y HN -0.075 nan 8.280 nan 0.000 0.551 482 N N 0.333 119.019 118.700 -0.024 0.000 2.463 482 N HA -0.048 4.692 4.740 0.001 0.000 0.181 482 N C -0.512 174.942 175.510 -0.094 0.000 1.078 482 N CA 0.300 53.339 53.050 -0.018 0.000 0.902 482 N CB -0.210 38.233 38.487 -0.072 0.000 0.970 482 N HN 0.376 nan 8.380 nan 0.000 0.451 483 N N 1.215 119.843 118.700 -0.120 0.000 2.524 483 N HA 0.288 5.028 4.740 0.001 0.000 0.283 483 N C 0.303 175.735 175.510 -0.130 0.000 1.142 483 N CA -0.249 52.691 53.050 -0.184 0.000 0.984 483 N CB 1.664 40.046 38.487 -0.176 0.000 1.155 483 N HN 0.179 nan 8.380 nan 0.000 0.467 484 I N -2.758 117.699 120.570 -0.189 0.000 3.108 484 I HA 0.590 4.761 4.170 0.001 0.000 0.312 484 I C -0.234 175.906 176.117 0.038 0.000 1.095 484 I CA -1.256 60.010 61.300 -0.057 0.000 1.000 484 I CB 1.925 39.896 38.000 -0.049 0.000 1.229 484 I HN 0.061 nan 8.210 nan 0.000 0.454 485 K N 3.087 123.570 120.400 0.138 0.000 2.312 485 K HA 0.202 4.522 4.320 0.001 0.000 0.287 485 K C -0.470 176.309 176.600 0.299 0.000 1.062 485 K CA 0.117 56.558 56.287 0.257 0.000 0.934 485 K CB 0.320 32.996 32.500 0.293 0.000 1.027 485 K HN 0.691 nan 8.250 nan 0.000 0.478 486 N N 3.713 122.653 118.700 0.401 0.000 2.518 486 N HA 0.159 4.900 4.740 0.001 0.000 0.266 486 N C -1.110 174.578 175.510 0.296 0.000 1.196 486 N CA -0.096 53.148 53.050 0.323 0.000 0.947 486 N CB 0.362 38.997 38.487 0.245 0.000 1.098 486 N HN 0.339 nan 8.380 nan 0.000 0.450 487 W N 0.610 121.716 121.300 -0.324 0.000 2.671 487 W HA 0.262 4.922 4.660 0.001 0.000 0.360 487 W C -0.124 176.054 176.519 -0.568 0.000 1.128 487 W CA -0.870 56.151 57.345 -0.541 0.000 1.184 487 W CB 0.020 28.992 29.460 -0.814 0.000 1.415 487 W HN 0.442 nan 8.180 nan 0.000 0.604 488 D N 0.507 120.851 120.400 -0.094 0.000 2.483 488 D HA 0.082 4.723 4.640 0.001 0.000 0.220 488 D C 0.585 176.870 176.300 -0.026 0.000 1.173 488 D CA -0.127 53.856 54.000 -0.028 0.000 0.964 488 D CB -0.183 40.620 40.800 0.005 0.000 1.046 488 D HN 0.170 nan 8.370 nan 0.000 0.517 489 Y N 2.223 122.613 120.300 0.150 0.000 2.224 489 Y HA -0.127 4.423 4.550 0.001 0.000 0.289 489 Y C 2.500 178.412 175.900 0.020 0.000 1.146 489 Y CA 1.191 59.343 58.100 0.086 0.000 1.182 489 Y CB -0.511 37.876 38.460 -0.122 0.000 0.983 489 Y HN 0.494 nan 8.280 nan 0.000 0.524 490 A N 0.327 123.246 122.820 0.164 0.000 1.902 490 A HA -0.133 4.188 4.320 0.001 0.000 0.217 490 A C 2.568 180.185 177.584 0.056 0.000 1.181 490 A CA 1.781 53.876 52.037 0.097 0.000 0.623 490 A CB -1.497 17.571 19.000 0.114 0.000 0.818 490 A HN 0.472 nan 8.150 nan 0.000 0.443 491 G N -0.699 108.124 108.800 0.038 0.000 2.509 491 G HA2 -0.053 3.908 3.960 0.001 0.000 0.218 491 G HA3 -0.053 3.908 3.960 0.001 0.000 0.218 491 G C 1.348 176.204 174.900 -0.073 0.000 1.124 491 G CA 0.986 46.077 45.100 -0.014 0.000 0.776 491 G HN 0.451 nan 8.290 nan 0.000 0.547 492 L N 0.172 121.350 121.223 -0.076 0.000 2.201 492 L HA 0.086 4.427 4.340 0.001 0.000 0.212 492 L C 2.584 179.258 176.870 -0.327 0.000 1.105 492 L CA 1.205 55.897 54.840 -0.247 0.000 0.775 492 L CB -0.268 41.738 42.059 -0.088 0.000 0.913 492 L HN 0.070 nan 8.230 nan 0.000 0.440 493 M N -0.777 118.785 119.600 -0.065 0.000 2.080 493 M HA -0.177 4.303 4.480 0.001 0.000 0.260 493 M C 2.143 178.458 176.300 0.026 0.000 1.068 493 M CA 1.524 56.852 55.300 0.047 0.000 1.109 493 M CB -1.156 31.492 32.600 0.081 0.000 1.342 493 M HN 0.241 nan 8.290 nan 0.000 0.405 494 E N -0.186 120.005 120.200 -0.015 0.000 2.150 494 E HA -0.089 4.261 4.350 0.001 0.000 0.193 494 E C 2.314 178.903 176.600 -0.019 0.000 0.985 494 E CA 0.850 57.249 56.400 -0.002 0.000 0.814 494 E CB -0.481 29.212 29.700 -0.011 0.000 0.752 494 E HN 0.306 nan 8.360 nan 0.000 0.466 495 V N 1.003 120.852 119.914 -0.109 0.000 2.287 495 V HA -0.246 3.875 4.120 0.001 0.000 0.248 495 V C 2.104 178.207 176.094 0.016 0.000 1.053 495 V CA 1.642 63.865 62.300 -0.127 0.000 1.027 495 V CB -0.573 31.068 31.823 -0.304 0.000 0.646 495 V HN 0.125 nan 8.190 nan 0.000 0.447 496 F N 0.629 120.604 119.950 0.042 0.000 2.325 496 F HA -0.035 4.492 4.527 0.001 0.000 0.299 496 F C 2.281 178.106 175.800 0.042 0.000 1.090 496 F CA 0.628 58.654 58.000 0.044 0.000 1.392 496 F CB -1.197 37.838 39.000 0.058 0.000 1.053 496 F HN 0.223 nan 8.300 nan 0.000 0.521 497 N N 0.325 119.151 118.700 0.209 0.000 2.120 497 N HA -0.084 4.656 4.740 0.001 0.000 0.188 497 N C 1.805 177.378 175.510 0.107 0.000 1.024 497 N CA 1.415 54.545 53.050 0.133 0.000 0.852 497 N CB -0.768 37.773 38.487 0.091 0.000 1.003 497 N HN 0.277 nan 8.380 nan 0.000 0.424 498 G N 1.187 110.043 108.800 0.092 0.000 2.305 498 G HA2 -0.292 3.668 3.960 0.001 0.000 0.287 498 G HA3 -0.292 3.668 3.960 0.001 0.000 0.287 498 G C -0.290 174.637 174.900 0.044 0.000 1.036 498 G CA -0.029 45.113 45.100 0.070 0.000 0.887 498 G HN 0.278 nan 8.290 nan 0.000 0.505 499 N N 0.451 119.172 118.700 0.034 0.000 2.492 499 N HA 0.412 5.152 4.740 0.001 0.000 0.262 499 N C 1.344 176.853 175.510 -0.001 0.000 1.202 499 N CA 1.406 54.468 53.050 0.021 0.000 0.926 499 N CB 0.933 39.433 38.487 0.021 0.000 1.078 499 N HN 1.395 nan 8.380 nan 0.000 0.454 500 G N 0.208 109.003 108.800 -0.010 0.000 2.137 500 G HA2 -0.161 3.800 3.960 0.001 0.000 0.237 500 G HA3 -0.161 3.800 3.960 0.001 0.000 0.237 500 G C 0.458 175.316 174.900 -0.069 0.000 1.002 500 G CA 0.243 45.323 45.100 -0.033 0.000 0.702 500 G HN 0.890 nan 8.290 nan 0.000 0.515 501 G N -1.764 106.998 108.800 -0.063 0.000 3.217 501 G HA2 0.592 4.552 3.960 0.001 0.000 0.213 501 G HA3 0.592 4.552 3.960 0.001 0.000 0.213 501 G C 0.628 175.455 174.900 -0.121 0.000 1.294 501 G CA 0.005 45.022 45.100 -0.138 0.000 0.987 501 G HN 0.076 nan 8.290 nan 0.000 0.584 502 Y N 0.751 121.061 120.300 0.016 0.000 2.165 502 Y HA -0.015 4.536 4.550 0.001 0.000 0.286 502 Y C 1.724 177.634 175.900 0.017 0.000 1.155 502 Y CA 1.769 59.878 58.100 0.014 0.000 1.164 502 Y CB -0.115 38.352 38.460 0.012 0.000 0.978 502 Y HN 0.617 nan 8.280 nan 0.000 0.513 503 D N -1.874 118.629 120.400 0.172 0.000 2.720 503 D HA 0.531 5.171 4.640 0.001 0.000 0.232 503 D C -0.373 175.973 176.300 0.076 0.000 1.173 503 D CA -0.294 53.770 54.000 0.108 0.000 1.082 503 D CB 0.643 41.503 40.800 0.100 0.000 1.235 503 D HN 0.009 nan 8.370 nan 0.000 0.636 504 S N -2.613 113.129 115.700 0.070 0.000 2.705 504 S HA 0.840 5.311 4.470 0.001 0.000 0.280 504 S C -0.511 174.130 174.600 0.068 0.000 1.174 504 S CA -0.502 57.734 58.200 0.060 0.000 0.823 504 S CB 1.482 64.710 63.200 0.048 0.000 1.162 504 S HN 1.202 nan 8.310 nan 0.000 0.487 505 G N -1.106 107.734 108.800 0.066 0.000 2.703 505 G HA2 0.703 4.664 3.960 0.001 0.000 0.294 505 G HA3 0.703 4.664 3.960 0.001 0.000 0.294 505 G C -0.569 174.371 174.900 0.067 0.000 1.451 505 G CA -0.231 44.914 45.100 0.075 0.000 0.869 505 G HN 1.495 nan 8.290 nan 0.000 0.516 506 A N 0.399 123.260 122.820 0.068 0.000 2.701 506 A HA 0.717 5.037 4.320 0.001 0.000 0.297 506 A C 0.985 178.607 177.584 0.064 0.000 1.197 506 A CA 0.430 52.502 52.037 0.059 0.000 0.963 506 A CB -0.154 18.877 19.000 0.051 0.000 1.175 506 A HN 1.452 nan 8.150 nan 0.000 0.531 507 G N 0.012 108.861 108.800 0.081 0.000 2.507 507 G HA2 0.503 4.464 3.960 0.001 0.000 0.271 507 G HA3 0.503 4.464 3.960 0.001 0.000 0.271 507 G C -0.344 174.598 174.900 0.069 0.000 1.189 507 G CA -0.377 44.776 45.100 0.088 0.000 0.859 507 G HN 0.338 nan 8.290 nan 0.000 0.542 508 K N -0.197 120.237 120.400 0.058 0.000 2.427 508 K HA 0.548 4.868 4.320 0.001 0.000 0.252 508 K C -0.379 176.242 176.600 0.035 0.000 0.931 508 K CA -0.702 55.609 56.287 0.040 0.000 0.793 508 K CB 2.547 35.062 32.500 0.025 0.000 1.211 508 K HN 0.598 nan 8.250 nan 0.000 0.426 509 G N 3.160 111.981 108.800 0.035 0.000 2.487 509 G HA2 0.627 4.588 3.960 0.001 0.000 0.314 509 G HA3 0.627 4.588 3.960 0.001 0.000 0.314 509 G C -0.865 174.055 174.900 0.033 0.000 1.267 509 G CA -0.503 44.617 45.100 0.033 0.000 0.937 509 G HN 0.358 nan 8.290 nan 0.000 0.481 510 L N 1.231 122.471 121.223 0.028 0.000 2.354 510 L HA 0.625 4.965 4.340 0.001 0.000 0.264 510 L C -0.087 176.834 176.870 0.085 0.000 1.008 510 L CA -1.069 53.798 54.840 0.044 0.000 0.819 510 L CB 2.673 44.746 42.059 0.023 0.000 1.339 510 L HN 0.330 nan 8.230 nan 0.000 0.420 511 K N 1.162 121.636 120.400 0.123 0.000 2.203 511 K HA 0.854 5.175 4.320 0.001 0.000 0.251 511 K C -1.044 175.668 176.600 0.186 0.000 0.944 511 K CA -0.666 55.759 56.287 0.230 0.000 0.829 511 K CB 2.382 35.033 32.500 0.251 0.000 1.125 511 K HN 0.666 nan 8.250 nan 0.000 0.430 512 A N 2.331 125.313 122.820 0.270 0.000 2.414 512 A HA 0.329 4.649 4.320 0.001 0.000 0.286 512 A C -0.354 177.380 177.584 0.249 0.000 1.073 512 A CA -0.718 51.436 52.037 0.195 0.000 0.727 512 A CB 0.743 19.839 19.000 0.161 0.000 1.215 512 A HN 0.822 nan 8.150 nan 0.000 0.430 513 K N 0.814 121.289 120.400 0.126 0.000 2.402 513 K HA 0.172 4.492 4.320 0.001 0.000 0.204 513 K C 0.281 176.919 176.600 0.063 0.000 1.056 513 K CA 0.821 57.162 56.287 0.091 0.000 1.069 513 K CB 1.031 33.495 32.500 -0.060 0.000 0.888 513 K HN 0.832 nan 8.250 nan 0.000 0.546 514 T N -4.264 110.326 114.554 0.060 0.000 2.883 514 T HA 0.363 4.713 4.350 0.001 0.000 0.296 514 T C 1.151 175.883 174.700 0.053 0.000 1.117 514 T CA -0.497 61.630 62.100 0.044 0.000 1.006 514 T CB 1.747 70.630 68.868 0.025 0.000 1.191 514 T HN -0.012 nan 8.240 nan 0.000 0.508 515 G N 0.205 109.030 108.800 0.042 0.000 2.442 515 G HA2 0.040 4.000 3.960 0.001 0.000 0.219 515 G HA3 0.040 4.000 3.960 0.001 0.000 0.219 515 G C 1.457 176.383 174.900 0.044 0.000 1.141 515 G CA 0.885 46.010 45.100 0.042 0.000 0.763 515 G HN 1.146 nan 8.290 nan 0.000 0.554 516 G N 0.481 109.302 108.800 0.036 0.000 2.402 516 G HA2 -0.105 3.856 3.960 0.001 0.000 0.216 516 G HA3 -0.105 3.856 3.960 0.001 0.000 0.216 516 G C 1.621 176.545 174.900 0.040 0.000 1.162 516 G CA 1.022 46.142 45.100 0.033 0.000 0.777 516 G HN 0.525 nan 8.290 nan 0.000 0.539 517 E N -0.371 119.855 120.200 0.044 0.000 2.106 517 E HA -0.063 4.287 4.350 0.001 0.000 0.192 517 E C 2.359 179.001 176.600 0.070 0.000 0.984 517 E CA 0.513 56.944 56.400 0.051 0.000 0.806 517 E CB -0.135 29.596 29.700 0.050 0.000 0.750 517 E HN 0.327 nan 8.360 nan 0.000 0.458 518 L N 1.081 122.355 121.223 0.085 0.000 2.046 518 L HA -0.124 4.216 4.340 0.001 0.000 0.208 518 L C 2.212 179.148 176.870 0.109 0.000 1.077 518 L CA 1.989 56.898 54.840 0.115 0.000 0.747 518 L CB -0.663 41.471 42.059 0.124 0.000 0.896 518 L HN 0.035 nan 8.230 nan 0.000 0.432 519 A N -0.869 122.000 122.820 0.081 0.000 1.908 519 A HA -0.185 4.135 4.320 0.001 0.000 0.218 519 A C 2.135 179.758 177.584 0.064 0.000 1.181 519 A CA 1.747 53.827 52.037 0.071 0.000 0.627 519 A CB -0.543 18.488 19.000 0.052 0.000 0.818 519 A HN 0.535 nan 8.150 nan 0.000 0.445 520 E N -0.070 120.163 120.200 0.055 0.000 2.072 520 E HA -0.077 4.274 4.350 0.001 0.000 0.191 520 E C 2.374 179.001 176.600 0.046 0.000 0.985 520 E CA 1.228 57.655 56.400 0.044 0.000 0.801 520 E CB -0.772 28.950 29.700 0.036 0.000 0.750 520 E HN 0.563 nan 8.360 nan 0.000 0.452 521 A N 1.340 124.192 122.820 0.053 0.000 1.902 521 A HA -0.155 4.165 4.320 0.001 0.000 0.217 521 A C 2.361 179.965 177.584 0.035 0.000 1.181 521 A CA 1.184 53.245 52.037 0.040 0.000 0.623 521 A CB -0.718 18.309 19.000 0.046 0.000 0.818 521 A HN 0.185 nan 8.150 nan 0.000 0.443 522 I N -0.597 120.018 120.570 0.075 0.000 2.286 522 I HA -0.285 3.885 4.170 0.001 0.000 0.248 522 I C 2.489 178.644 176.117 0.064 0.000 1.115 522 I CA 1.561 62.918 61.300 0.095 0.000 1.392 522 I CB -0.250 37.852 38.000 0.172 0.000 1.065 522 I HN 0.321 nan 8.210 nan 0.000 0.418 523 K N 0.250 120.683 120.400 0.055 0.000 2.057 523 K HA -0.117 4.204 4.320 0.001 0.000 0.206 523 K C 2.082 178.701 176.600 0.031 0.000 1.050 523 K CA 1.179 57.492 56.287 0.042 0.000 0.935 523 K CB -0.173 32.349 32.500 0.038 0.000 0.715 523 K HN 0.157 nan 8.250 nan 0.000 0.439 524 V N 1.463 121.392 119.914 0.026 0.000 2.407 524 V HA -0.265 3.856 4.120 0.001 0.000 0.248 524 V C 2.358 178.459 176.094 0.012 0.000 1.055 524 V CA 2.045 64.356 62.300 0.018 0.000 1.049 524 V CB -0.662 31.171 31.823 0.016 0.000 0.662 524 V HN 0.350 nan 8.190 nan 0.000 0.455 525 A N -0.280 122.541 122.820 0.002 0.000 1.898 525 A HA -0.128 4.192 4.320 0.001 0.000 0.216 525 A C 2.196 179.784 177.584 0.007 0.000 1.181 525 A CA 1.639 53.667 52.037 -0.015 0.000 0.620 525 A CB -0.511 18.451 19.000 -0.065 0.000 0.819 525 A HN 0.501 nan 8.150 nan 0.000 0.442 526 L N -0.920 120.317 121.223 0.024 0.000 2.131 526 L HA -0.163 4.178 4.340 0.001 0.000 0.210 526 L C 2.885 179.772 176.870 0.028 0.000 1.092 526 L CA 0.964 55.824 54.840 0.033 0.000 0.759 526 L CB -0.370 41.715 42.059 0.043 0.000 0.903 526 L HN 0.446 nan 8.230 nan 0.000 0.435 527 A N -0.875 121.960 122.820 0.025 0.000 2.123 527 A HA -0.074 4.247 4.320 0.001 0.000 0.214 527 A C 1.086 178.684 177.584 0.023 0.000 1.152 527 A CA 0.253 52.304 52.037 0.023 0.000 0.728 527 A CB -0.419 18.595 19.000 0.022 0.000 0.814 527 A HN 0.343 nan 8.150 nan 0.000 0.464 528 N N 1.231 119.944 118.700 0.022 0.000 2.415 528 N HA 0.093 4.834 4.740 0.001 0.000 0.250 528 N C 0.879 176.406 175.510 0.029 0.000 1.127 528 N CA 0.876 53.940 53.050 0.024 0.000 0.945 528 N CB 0.620 39.120 38.487 0.022 0.000 1.196 528 N HN 0.292 nan 8.380 nan 0.000 0.499 529 T N -1.350 113.222 114.554 0.030 0.000 3.069 529 T HA 0.173 4.524 4.350 0.001 0.000 0.252 529 T C 0.348 175.070 174.700 0.037 0.000 1.053 529 T CA 0.046 62.166 62.100 0.032 0.000 0.964 529 T CB 0.236 69.121 68.868 0.028 0.000 1.005 529 T HN 0.193 nan 8.240 nan 0.000 0.532 530 D N 1.041 121.465 120.400 0.039 0.000 2.369 530 D HA 0.374 5.015 4.640 0.001 0.000 0.211 530 D C 0.962 177.294 176.300 0.054 0.000 1.077 530 D CA 0.333 54.359 54.000 0.044 0.000 0.842 530 D CB 1.062 41.886 40.800 0.040 0.000 0.947 530 D HN 0.641 nan 8.370 nan 0.000 0.509 531 G N 0.784 109.618 108.800 0.056 0.000 2.451 531 G HA2 0.333 4.293 3.960 0.001 0.000 0.292 531 G HA3 0.333 4.293 3.960 0.001 0.000 0.292 531 G C -3.122 171.818 174.900 0.067 0.000 1.427 531 G CA -0.922 44.219 45.100 0.069 0.000 0.792 531 G HN -0.298 nan 8.290 nan 0.000 0.498 532 P HA 0.367 nan 4.420 nan 0.000 0.274 532 P C -0.599 176.732 177.300 0.052 0.000 1.237 532 P CA 0.161 63.306 63.100 0.074 0.000 0.793 532 P CB 1.269 33.034 31.700 0.108 0.000 0.977 533 T N 2.400 116.962 114.554 0.012 0.000 2.847 533 T HA 0.387 4.737 4.350 0.001 0.000 0.291 533 T C -0.257 174.398 174.700 -0.075 0.000 0.998 533 T CA -0.410 61.676 62.100 -0.023 0.000 0.967 533 T CB 0.531 69.368 68.868 -0.050 0.000 0.954 533 T HN 0.287 nan 8.240 nan 0.000 0.441 534 L N 5.160 126.356 121.223 -0.045 0.000 2.264 534 L HA 0.616 4.956 4.340 0.001 0.000 0.289 534 L C -0.903 175.895 176.870 -0.120 0.000 1.044 534 L CA -0.747 54.038 54.840 -0.092 0.000 0.807 534 L CB 0.348 42.386 42.059 -0.034 0.000 1.192 534 L HN 0.642 nan 8.230 nan 0.000 0.425 535 I N 5.134 125.580 120.570 -0.207 0.000 2.330 535 I HA 0.222 4.392 4.170 0.001 0.000 0.286 535 I C 0.056 176.115 176.117 -0.097 0.000 1.025 535 I CA -0.316 60.898 61.300 -0.143 0.000 1.197 535 I CB 1.341 39.208 38.000 -0.221 0.000 1.358 535 I HN 0.616 nan 8.210 nan 0.000 0.467 536 E N 6.310 126.480 120.200 -0.050 0.000 2.070 536 E HA 0.198 4.549 4.350 0.001 0.000 0.282 536 E C -1.083 175.461 176.600 -0.094 0.000 1.104 536 E CA -0.544 55.779 56.400 -0.130 0.000 0.876 536 E CB 0.556 30.210 29.700 -0.076 0.000 1.055 536 E HN 0.618 nan 8.360 nan 0.000 0.401 537 C N 6.137 125.358 119.300 -0.132 0.000 2.265 537 C HA 0.333 4.793 4.460 0.001 0.000 0.332 537 C C -0.342 174.583 174.990 -0.109 0.000 1.248 537 C CA -0.827 58.191 59.018 0.001 0.000 1.727 537 C CB -1.144 26.634 27.740 0.063 0.000 2.348 537 C HN 0.590 nan 8.230 nan 0.000 0.519 538 F N 4.939 124.911 119.950 0.035 0.000 2.390 538 F HA 0.557 5.084 4.527 0.001 0.000 0.361 538 F C 0.664 176.478 175.800 0.023 0.000 1.124 538 F CA -0.500 57.520 58.000 0.032 0.000 1.149 538 F CB 0.311 39.328 39.000 0.029 0.000 1.160 538 F HN 0.494 nan 8.300 nan 0.000 0.501 539 I N -0.147 120.504 120.570 0.135 0.000 2.892 539 I HA 0.939 5.109 4.170 0.001 0.000 0.306 539 I C 0.315 176.468 176.117 0.060 0.000 1.078 539 I CA -1.115 60.234 61.300 0.082 0.000 1.032 539 I CB 1.754 39.777 38.000 0.039 0.000 1.229 539 I HN 0.531 nan 8.210 nan 0.000 0.435 540 G N 2.776 111.586 108.800 0.017 0.000 2.634 540 G HA2 0.411 4.371 3.960 0.001 0.000 0.255 540 G HA3 0.411 4.371 3.960 0.001 0.000 0.255 540 G C -0.286 174.540 174.900 -0.124 0.000 1.205 540 G CA -0.804 44.280 45.100 -0.026 0.000 0.884 540 G HN 0.735 nan 8.290 nan 0.000 0.549 541 R N -0.551 119.828 120.500 -0.201 0.000 2.543 541 R HA 0.297 4.637 4.340 0.001 0.000 0.268 541 R C 0.163 176.008 176.300 -0.759 0.000 1.067 541 R CA -0.284 55.502 56.100 -0.524 0.000 1.142 541 R CB 0.596 30.726 30.300 -0.283 0.000 1.110 541 R HN 0.761 nan 8.270 nan 0.000 0.549 542 E N 0.132 119.333 120.200 -1.666 0.000 2.586 542 E HA -0.239 4.112 4.350 0.001 0.000 0.259 542 E C -0.980 175.418 176.600 -0.336 0.000 1.107 542 E CA 0.819 56.740 56.400 -0.800 0.000 0.754 542 E CB -0.760 28.736 29.700 -0.340 0.000 1.335 542 E HN 0.443 nan 8.360 nan 0.000 0.411 543 D N 0.632 120.850 120.400 -0.303 0.000 2.404 543 D HA 0.339 4.979 4.640 0.001 0.000 0.267 543 D C -0.544 175.746 176.300 -0.017 0.000 1.194 543 D CA -0.367 53.568 54.000 -0.108 0.000 0.910 543 D CB 0.168 40.916 40.800 -0.088 0.000 1.090 543 D HN 0.268 nan 8.370 nan 0.000 0.511 544 C N 0.646 119.958 119.300 0.021 0.000 3.318 544 C HA 0.898 5.359 4.460 0.001 0.000 0.329 544 C C 0.640 175.633 174.990 0.005 0.000 1.449 544 C CA -0.650 58.396 59.018 0.047 0.000 1.397 544 C CB 0.753 28.555 27.740 0.103 0.000 1.810 544 C HN 0.522 nan 8.230 nan 0.000 0.449 545 T N -1.167 113.380 114.554 -0.011 0.000 2.856 545 T HA 0.242 4.592 4.350 0.001 0.000 0.306 545 T C 0.659 175.300 174.700 -0.098 0.000 1.062 545 T CA 0.360 62.436 62.100 -0.040 0.000 1.083 545 T CB 0.378 69.238 68.868 -0.013 0.000 0.984 545 T HN 0.817 nan 8.240 nan 0.000 0.542 546 E N 0.996 121.149 120.200 -0.079 0.000 2.106 546 E HA -0.140 4.211 4.350 0.001 0.000 0.192 546 E C 2.085 178.592 176.600 -0.155 0.000 0.984 546 E CA 1.253 57.599 56.400 -0.090 0.000 0.806 546 E CB -0.063 29.604 29.700 -0.055 0.000 0.750 546 E HN 0.786 nan 8.360 nan 0.000 0.458 547 E N 0.901 120.986 120.200 -0.193 0.000 2.085 547 E HA -0.205 4.146 4.350 0.001 0.000 0.194 547 E C 1.955 178.163 176.600 -0.653 0.000 0.994 547 E CA 0.709 56.933 56.400 -0.295 0.000 0.801 547 E CB -0.184 29.445 29.700 -0.117 0.000 0.743 547 E HN 0.105 nan 8.360 nan 0.000 0.453 548 L N 0.285 120.904 121.223 -1.007 0.000 2.042 548 L HA -0.177 4.163 4.340 0.001 0.000 0.210 548 L C 2.028 178.681 176.870 -0.361 0.000 1.076 548 L CA 1.516 55.701 54.840 -1.091 0.000 0.749 548 L CB -0.412 41.215 42.059 -0.720 0.000 0.893 548 L HN 0.028 nan 8.230 nan 0.000 0.432 549 V N -0.243 119.528 119.914 -0.238 0.000 2.307 549 V HA -0.283 3.838 4.120 0.001 0.000 0.245 549 V C 2.613 178.644 176.094 -0.105 0.000 1.045 549 V CA 2.154 64.382 62.300 -0.120 0.000 1.024 549 V CB -0.711 31.064 31.823 -0.080 0.000 0.651 549 V HN 0.455 nan 8.190 nan 0.000 0.449 550 K N -1.166 119.166 120.400 -0.112 0.000 2.002 550 K HA -0.256 4.065 4.320 0.001 0.000 0.209 550 K C 1.999 178.552 176.600 -0.078 0.000 1.048 550 K CA 2.195 58.431 56.287 -0.084 0.000 0.930 550 K CB -0.369 32.088 32.500 -0.073 0.000 0.714 550 K HN 0.619 nan 8.250 nan 0.000 0.438 551 W N 1.366 122.483 121.300 -0.305 0.000 2.358 551 W HA -0.119 4.541 4.660 0.001 0.000 0.303 551 W C 1.956 178.335 176.519 -0.233 0.000 1.208 551 W CA 1.916 59.072 57.345 -0.314 0.000 1.274 551 W CB -0.632 28.568 29.460 -0.433 0.000 1.138 551 W HN 0.097 nan 8.180 nan 0.000 0.515 552 G N 0.623 109.364 108.800 -0.098 0.000 2.442 552 G HA2 -0.298 3.663 3.960 0.001 0.000 0.219 552 G HA3 -0.298 3.663 3.960 0.001 0.000 0.219 552 G C 1.489 176.195 174.900 -0.322 0.000 1.141 552 G CA 1.211 46.144 45.100 -0.278 0.000 0.763 552 G HN 0.319 nan 8.290 nan 0.000 0.554 553 K N -0.212 120.060 120.400 -0.213 0.000 2.097 553 K HA 0.025 4.345 4.320 0.001 0.000 0.205 553 K C 2.754 179.238 176.600 -0.194 0.000 1.050 553 K CA 0.496 56.686 56.287 -0.162 0.000 0.938 553 K CB -0.066 32.371 32.500 -0.105 0.000 0.718 553 K HN 0.028 nan 8.250 nan 0.000 0.442 554 R N 0.611 120.957 120.500 -0.257 0.000 2.075 554 R HA -0.061 4.279 4.340 0.001 0.000 0.232 554 R C 2.297 178.416 176.300 -0.300 0.000 1.126 554 R CA 0.965 56.920 56.100 -0.241 0.000 0.963 554 R CB -0.836 29.316 30.300 -0.246 0.000 0.858 554 R HN 0.063 nan 8.270 nan 0.000 0.435 555 V N 1.269 120.867 119.914 -0.528 0.000 2.427 555 V HA -0.173 3.947 4.120 0.001 0.000 0.248 555 V C 2.533 178.470 176.094 -0.261 0.000 1.051 555 V CA 1.698 63.695 62.300 -0.505 0.000 1.048 555 V CB -0.816 30.432 31.823 -0.958 0.000 0.666 555 V HN 0.299 nan 8.190 nan 0.000 0.456 556 A N 0.178 122.855 122.820 -0.238 0.000 1.902 556 A HA -0.125 4.195 4.320 0.001 0.000 0.217 556 A C 2.449 180.002 177.584 -0.052 0.000 1.181 556 A CA 2.075 54.047 52.037 -0.107 0.000 0.623 556 A CB -0.817 18.138 19.000 -0.075 0.000 0.818 556 A HN 0.558 nan 8.150 nan 0.000 0.443 557 A N -0.118 122.663 122.820 -0.064 0.000 1.908 557 A HA 0.111 4.431 4.320 0.001 0.000 0.218 557 A C 2.512 180.103 177.584 0.011 0.000 1.181 557 A CA 2.283 54.306 52.037 -0.023 0.000 0.627 557 A CB -1.036 17.945 19.000 -0.031 0.000 0.818 557 A HN 1.065 nan 8.150 nan 0.000 0.445 558 A N 0.201 123.029 122.820 0.013 0.000 1.877 558 A HA -0.220 4.101 4.320 0.001 0.000 0.216 558 A C 1.907 179.554 177.584 0.105 0.000 1.186 558 A CA 1.665 53.762 52.037 0.100 0.000 0.620 558 A CB -0.929 18.142 19.000 0.119 0.000 0.822 558 A HN 0.720 nan 8.150 nan 0.000 0.443 559 N N 0.095 118.829 118.700 0.057 0.000 2.205 559 N HA -0.148 4.592 4.740 0.001 0.000 0.186 559 N C 1.587 177.124 175.510 0.044 0.000 1.015 559 N CA 1.480 54.563 53.050 0.056 0.000 0.862 559 N CB -0.101 38.398 38.487 0.021 0.000 0.986 559 N HN 0.634 nan 8.380 nan 0.000 0.429 560 S N 0.748 116.470 115.700 0.037 0.000 2.540 560 S HA 0.056 4.527 4.470 0.001 0.000 0.218 560 S C 0.506 175.126 174.600 0.033 0.000 0.977 560 S CA -0.683 57.537 58.200 0.035 0.000 0.918 560 S CB -0.026 63.199 63.200 0.042 0.000 0.806 560 S HN 0.240 nan 8.310 nan 0.000 0.496 561 R N 2.521 123.045 120.500 0.041 0.000 2.585 561 R HA 0.126 4.466 4.340 0.001 0.000 0.275 561 R C 0.023 176.338 176.300 0.025 0.000 1.018 561 R CA -0.340 55.780 56.100 0.034 0.000 1.072 561 R CB 0.069 30.396 30.300 0.045 0.000 0.953 561 R HN 0.442 nan 8.270 nan 0.000 0.419 562 K N 2.956 123.366 120.400 0.017 0.000 2.230 562 K HA 0.267 4.587 4.320 0.001 0.000 0.253 562 K C -2.114 174.490 176.600 0.007 0.000 1.008 562 K CA -1.395 54.899 56.287 0.011 0.000 0.910 562 K CB -0.098 32.407 32.500 0.008 0.000 0.994 562 K HN 0.385 nan 8.250 nan 0.000 0.495 563 P HA 0.019 nan 4.420 nan 0.000 0.268 563 P C -0.957 176.340 177.300 -0.004 0.000 1.205 563 P CA -0.453 62.647 63.100 -0.001 0.000 0.771 563 P CB 0.693 32.392 31.700 -0.001 0.000 0.858 564 V N 3.307 123.216 119.914 -0.009 0.000 2.567 564 V HA 0.182 4.302 4.120 0.001 0.000 0.289 564 V C 0.815 176.902 176.094 -0.012 0.000 1.049 564 V CA -0.735 61.557 62.300 -0.012 0.000 0.969 564 V CB 1.235 33.047 31.823 -0.019 0.000 0.995 564 V HN 0.623 nan 8.190 nan 0.000 0.471 565 N N 3.470 122.164 118.700 -0.011 0.000 2.525 565 N HA 0.166 4.906 4.740 0.001 0.000 0.271 565 N C -0.545 174.958 175.510 -0.013 0.000 1.194 565 N CA -0.436 52.608 53.050 -0.010 0.000 0.964 565 N CB 0.768 39.250 38.487 -0.009 0.000 1.126 565 N HN 0.529 nan 8.380 nan 0.000 0.452 566 K N 0.000 120.393 120.400 -0.012 0.000 2.780 566 K HA 0.000 4.320 4.320 0.001 0.000 0.191 566 K CA 0.000 56.279 56.287 -0.013 0.000 0.838 566 K CB 0.000 32.492 32.500 -0.012 0.000 1.064 566 K HN 0.000 nan 8.250 nan 0.000 0.543