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 2ahu_1_C DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE XYLDALVIAQ AVHNNGGIVX XQVQKXVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXL PLNQRKLVAR RALFEXRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITSX XXXXGANVNT DATA SEQUENCE RAILDXTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIXGTGGFI DATA SEQUENCE DISATSKKII FCGTLTAGSL KTEIADGKLN IVQEGRVKKF IRELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDGLHLI EIAPGVDLQK DILDKXDFTP DATA SEQUENCE VISPELKLXD ERLFIDAAXG FVLPEA 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.208 176.094 0.190 0.000 1.182 4 V CA 0.000 62.380 62.300 0.134 0.000 1.235 4 V CB 0.000 31.912 31.823 0.148 0.000 1.184 5 K N 4.586 125.032 120.400 0.076 0.000 2.316 5 K HA 0.738 5.058 4.320 0.000 0.000 0.251 5 K C -2.824 173.723 176.600 -0.088 0.000 0.934 5 K CA -1.872 54.363 56.287 -0.086 0.000 0.802 5 K CB 2.445 34.897 32.500 -0.081 0.000 1.171 5 K HN 0.425 nan 8.250 nan 0.000 0.426 6 P HA 0.066 nan 4.420 nan 0.000 0.265 6 P C -2.421 174.849 177.300 -0.050 0.000 1.193 6 P CA -0.806 62.233 63.100 -0.101 0.000 0.765 6 P CB -0.348 31.243 31.700 -0.181 0.000 0.823 7 P HA 0.224 nan 4.420 nan 0.000 0.275 7 P C -0.210 177.092 177.300 0.003 0.000 1.228 7 P CA -0.215 62.888 63.100 0.005 0.000 0.786 7 P CB 0.964 32.675 31.700 0.019 0.000 0.927 8 R N 1.842 122.347 120.500 0.008 0.000 2.390 8 R HA 0.457 4.797 4.340 0.000 0.000 0.291 8 R C 0.075 176.386 176.300 0.018 0.000 1.070 8 R CA -0.516 55.592 56.100 0.013 0.000 1.014 8 R CB 0.359 30.672 30.300 0.022 0.000 1.007 8 R HN 0.482 nan 8.270 nan 0.000 0.466 9 I N 3.508 124.089 120.570 0.017 0.000 2.330 9 I HA 0.075 4.245 4.170 0.000 0.000 0.289 9 I C -0.011 176.118 176.117 0.020 0.000 1.001 9 I CA -0.535 60.776 61.300 0.018 0.000 1.193 9 I CB 1.198 39.208 38.000 0.016 0.000 1.345 9 I HN 0.680 nan 8.210 nan 0.000 0.461 10 N N 5.323 124.035 118.700 0.020 0.000 2.721 10 N HA -0.217 4.523 4.740 0.000 0.000 0.249 10 N C 0.984 176.511 175.510 0.028 0.000 1.072 10 N CA 1.232 54.295 53.050 0.021 0.000 0.710 10 N CB -0.922 37.575 38.487 0.017 0.000 0.993 10 N HN 1.178 nan 8.380 nan 0.000 0.547 11 G N -1.019 107.802 108.800 0.034 0.000 2.234 11 G HA2 -0.380 3.580 3.960 0.000 0.000 0.260 11 G HA3 -0.380 3.580 3.960 0.000 0.000 0.260 11 G C 0.171 175.101 174.900 0.050 0.000 0.987 11 G CA 0.550 45.678 45.100 0.048 0.000 0.625 11 G HN 0.563 nan 8.290 nan 0.000 0.532 12 R N 0.262 120.784 120.500 0.037 0.000 2.442 12 R HA 0.456 4.796 4.340 0.000 0.000 0.291 12 R C 0.500 176.814 176.300 0.023 0.000 1.069 12 R CA -0.156 55.963 56.100 0.032 0.000 1.022 12 R CB 1.803 32.117 30.300 0.023 0.000 0.976 12 R HN 0.211 nan 8.270 nan 0.000 0.443 13 V N 5.565 125.490 119.914 0.019 0.000 2.585 13 V HA 0.091 4.211 4.120 0.000 0.000 0.296 13 V C -1.957 174.132 176.094 -0.008 0.000 1.035 13 V CA -1.750 60.550 62.300 0.001 0.000 1.084 13 V CB 0.803 32.619 31.823 -0.011 0.000 0.953 13 V HN 0.628 nan 8.190 nan 0.000 0.483 14 P HA 0.113 nan 4.420 nan 0.000 0.263 14 P C -1.037 176.248 177.300 -0.025 0.000 1.195 14 P CA 0.258 63.343 63.100 -0.025 0.000 0.762 14 P CB 0.420 32.087 31.700 -0.055 0.000 0.799 15 V N 5.733 125.640 119.914 -0.011 0.000 2.384 15 V HA 0.440 4.560 4.120 0.000 0.000 0.287 15 V C 0.274 176.368 176.094 0.000 0.000 1.020 15 V CA -0.317 61.977 62.300 -0.009 0.000 0.850 15 V CB 1.052 32.871 31.823 -0.006 0.000 0.987 15 V HN 0.392 nan 8.190 nan 0.000 0.436 16 L N 3.092 124.315 121.223 0.001 0.000 2.359 16 L HA 0.619 4.959 4.340 0.000 0.000 0.256 16 L C 0.396 177.273 176.870 0.011 0.000 1.026 16 L CA -0.684 54.168 54.840 0.020 0.000 0.828 16 L CB 2.734 44.820 42.059 0.044 0.000 1.406 16 L HN 0.721 nan 8.230 nan 0.000 0.413 17 S N 0.149 115.860 115.700 0.019 0.000 2.584 17 S HA 0.273 4.743 4.470 0.000 0.000 0.270 17 S C 1.062 175.665 174.600 0.005 0.000 1.346 17 S CA 0.020 58.224 58.200 0.007 0.000 1.018 17 S CB 1.454 64.661 63.200 0.011 0.000 0.899 17 S HN 0.740 nan 8.310 nan 0.000 0.542 18 A N 1.564 124.373 122.820 -0.019 0.000 1.940 18 A HA -0.145 4.175 4.320 0.000 0.000 0.219 18 A C 2.230 179.809 177.584 -0.008 0.000 1.176 18 A CA 1.878 53.890 52.037 -0.042 0.000 0.631 18 A CB -1.156 17.800 19.000 -0.074 0.000 0.814 18 A HN 0.892 nan 8.150 nan 0.000 0.446 19 Q N 0.121 119.926 119.800 0.007 0.000 2.061 19 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 19 Q C 1.866 177.894 176.000 0.047 0.000 0.984 19 Q CA 1.968 57.786 55.803 0.025 0.000 0.846 19 Q CB -0.369 28.380 28.738 0.018 0.000 0.902 19 Q HN 0.805 nan 8.270 nan 0.000 0.421 20 E N 0.467 120.702 120.200 0.059 0.000 2.077 20 E HA -0.155 4.195 4.350 0.000 0.000 0.193 20 E C 2.023 178.740 176.600 0.195 0.000 0.989 20 E CA 0.879 57.340 56.400 0.100 0.000 0.800 20 E CB -0.236 29.527 29.700 0.106 0.000 0.746 20 E HN 0.412 nan 8.360 nan 0.000 0.452 21 A N 1.308 124.226 122.820 0.163 0.000 1.877 21 A HA -0.170 4.150 4.320 0.000 0.000 0.216 21 A C 2.537 180.285 177.584 0.274 0.000 1.186 21 A CA 1.776 53.938 52.037 0.207 0.000 0.620 21 A CB -0.926 18.116 19.000 0.070 0.000 0.822 21 A HN 0.253 nan 8.150 nan 0.000 0.443 22 V N -2.072 117.949 119.914 0.178 0.000 2.970 22 V HA -0.111 4.009 4.120 0.000 0.000 0.260 22 V C 1.503 177.697 176.094 0.167 0.000 1.100 22 V CA 1.911 64.334 62.300 0.204 0.000 1.122 22 V CB -1.137 30.789 31.823 0.172 0.000 0.721 22 V HN 0.414 nan 8.190 nan 0.000 0.483 23 N N 0.399 119.163 118.700 0.107 0.000 2.443 23 N HA -0.112 4.628 4.740 0.000 0.000 0.184 23 N C 1.260 176.703 175.510 -0.111 0.000 1.037 23 N CA 1.550 54.582 53.050 -0.030 0.000 0.896 23 N CB -0.493 37.914 38.487 -0.134 0.000 0.959 23 N HN 0.734 nan 8.380 nan 0.000 0.442 24 Y N 0.209 120.547 120.300 0.065 0.000 2.490 24 Y HA 0.265 4.815 4.550 0.000 0.000 0.281 24 Y C 0.554 176.491 175.900 0.061 0.000 1.174 24 Y CA -0.163 57.972 58.100 0.058 0.000 1.295 24 Y CB 0.154 38.649 38.460 0.058 0.000 1.062 24 Y HN -0.088 nan 8.280 nan 0.000 0.522 25 I N 4.049 124.726 120.570 0.179 0.000 2.337 25 I HA 0.169 4.339 4.170 0.000 0.000 0.291 25 I C -2.040 174.123 176.117 0.076 0.000 1.046 25 I CA -2.040 59.334 61.300 0.124 0.000 1.324 25 I CB 0.668 38.744 38.000 0.128 0.000 1.409 25 I HN -0.095 nan 8.210 nan 0.000 0.494 26 P HA 0.200 nan 4.420 nan 0.000 0.278 26 P C -0.883 176.436 177.300 0.032 0.000 1.266 26 P CA -0.565 62.557 63.100 0.038 0.000 0.807 26 P CB 0.655 32.373 31.700 0.029 0.000 1.094 27 D N 0.508 120.927 120.400 0.031 0.000 2.449 27 D HA -0.027 4.613 4.640 0.000 0.000 0.236 27 D C 0.863 177.169 176.300 0.011 0.000 1.149 27 D CA 0.702 54.720 54.000 0.030 0.000 0.878 27 D CB -0.057 40.763 40.800 0.032 0.000 1.198 27 D HN 0.467 nan 8.370 nan 0.000 0.446 28 E N -1.770 118.433 120.200 0.005 0.000 3.673 28 E HA -0.254 4.096 4.350 0.000 0.000 0.309 28 E C -0.218 176.357 176.600 -0.042 0.000 0.819 28 E CA 0.655 57.043 56.400 -0.019 0.000 1.111 28 E CB -1.293 28.393 29.700 -0.023 0.000 1.561 28 E HN 0.555 nan 8.360 nan 0.000 0.450 29 A N 1.104 123.905 122.820 -0.031 0.000 2.498 29 A HA 0.255 4.575 4.320 0.000 0.000 0.239 29 A C 0.550 178.091 177.584 -0.072 0.000 1.068 29 A CA 0.644 52.653 52.037 -0.047 0.000 0.766 29 A CB 0.361 19.343 19.000 -0.030 0.000 1.003 29 A HN 0.104 nan 8.150 nan 0.000 0.497 30 T N 3.152 117.650 114.554 -0.094 0.000 2.727 30 T HA 0.400 4.751 4.350 0.000 0.000 0.298 30 T C -0.304 174.337 174.700 -0.097 0.000 0.942 30 T CA 0.003 62.040 62.100 -0.105 0.000 0.997 30 T CB 0.068 68.848 68.868 -0.147 0.000 0.917 30 T HN 0.518 nan 8.240 nan 0.000 0.487 31 L N 4.379 125.537 121.223 -0.108 0.000 2.282 31 L HA 0.614 4.954 4.340 0.000 0.000 0.288 31 L C -0.461 176.318 176.870 -0.152 0.000 1.033 31 L CA -0.619 54.105 54.840 -0.195 0.000 0.807 31 L CB 0.802 42.679 42.059 -0.303 0.000 1.209 31 L HN 0.741 nan 8.230 nan 0.000 0.423 32 C N 5.854 125.063 119.300 -0.152 0.000 2.303 32 C HA 0.758 5.218 4.460 0.000 0.000 0.326 32 C C -0.380 174.562 174.990 -0.080 0.000 1.285 32 C CA -0.524 58.445 59.018 -0.081 0.000 1.675 32 C CB 0.396 28.117 27.740 -0.031 0.000 2.289 32 C HN 0.651 nan 8.230 nan 0.000 0.512 33 V N 7.777 127.671 119.914 -0.035 0.000 2.357 33 V HA 0.338 4.458 4.120 0.000 0.000 0.284 33 V C 0.084 176.220 176.094 0.071 0.000 1.018 33 V CA -0.525 61.800 62.300 0.043 0.000 0.841 33 V CB 1.159 33.016 31.823 0.056 0.000 0.991 33 V HN 0.821 nan 8.190 nan 0.000 0.437 34 L N 4.864 126.153 121.223 0.111 0.000 2.439 34 L HA 0.842 5.182 4.340 0.000 0.000 0.269 34 L C 0.532 177.460 176.870 0.096 0.000 1.179 34 L CA 1.483 56.385 54.840 0.103 0.000 0.828 34 L CB 0.862 42.997 42.059 0.127 0.000 1.106 34 L HN 0.978 nan 8.230 nan 0.000 0.467 35 G N 2.242 111.090 108.800 0.081 0.000 2.326 35 G HA2 0.543 4.504 3.960 0.000 0.000 0.413 35 G HA3 0.543 4.504 3.960 0.000 0.000 0.413 35 G C -1.651 173.279 174.900 0.050 0.000 1.444 35 G CA -0.274 44.863 45.100 0.062 0.000 1.002 35 G HN 1.097 nan 8.290 nan 0.000 0.649 36 A N -0.639 122.197 122.820 0.025 0.000 2.548 36 A HA 1.038 5.358 4.320 0.000 0.000 0.262 36 A C 0.869 178.448 177.584 -0.008 0.000 1.271 36 A CA 0.293 52.348 52.037 0.030 0.000 0.839 36 A CB 0.738 19.758 19.000 0.033 0.000 1.381 36 A HN 2.417 nan 8.150 nan 0.000 0.468 37 G N -1.601 107.206 108.800 0.010 0.000 2.491 37 G HA2 0.508 4.468 3.960 0.000 0.000 0.242 37 G HA3 0.508 4.468 3.960 0.000 0.000 0.242 37 G C 1.069 175.894 174.900 -0.126 0.000 1.266 37 G CA 0.615 45.711 45.100 -0.008 0.000 0.844 37 G HN 2.309 nan 8.290 nan 0.000 0.571 38 G N -0.450 108.226 108.800 -0.207 0.000 2.221 38 G HA2 0.206 4.166 3.960 0.000 0.000 0.265 38 G HA3 0.206 4.166 3.960 0.000 0.000 0.265 38 G C 1.363 175.710 174.900 -0.923 0.000 1.041 38 G CA 1.031 45.891 45.100 -0.400 0.000 0.807 38 G HN 2.595 nan 8.290 nan 0.000 0.502 39 G N -1.435 106.620 108.800 -1.242 0.000 2.175 39 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 39 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 39 G C 0.499 175.210 174.900 -0.316 0.000 0.982 39 G CA 0.177 44.703 45.100 -0.956 0.000 0.641 39 G HN 1.390 nan 8.290 nan 0.000 0.527 40 I N 1.500 121.935 120.570 -0.224 0.000 2.664 40 I HA 0.147 4.317 4.170 0.000 0.000 0.284 40 I C 1.800 177.901 176.117 -0.028 0.000 1.154 40 I CA 0.401 61.648 61.300 -0.087 0.000 1.402 40 I CB 0.352 38.318 38.000 -0.056 0.000 1.395 40 I HN 0.291 nan 8.210 nan 0.000 0.545 41 L N 4.603 125.832 121.223 0.010 0.000 3.843 41 L HA -0.239 4.101 4.340 0.000 0.000 0.411 41 L C 0.613 177.517 176.870 0.057 0.000 1.205 41 L CA 0.524 55.400 54.840 0.060 0.000 0.945 41 L CB -0.961 41.170 42.059 0.121 0.000 1.929 41 L HN 0.721 nan 8.230 nan 0.000 0.934 42 E N 0.645 120.864 120.200 0.032 0.000 2.174 42 E HA 0.468 4.818 4.350 0.000 0.000 0.282 42 E C 0.524 177.160 176.600 0.060 0.000 0.992 42 E CA 0.201 56.636 56.400 0.060 0.000 0.803 42 E CB 1.286 31.024 29.700 0.063 0.000 1.090 42 E HN 0.290 nan 8.360 nan 0.000 0.396 43 A N 4.511 127.368 122.820 0.063 0.000 3.026 43 A HA 0.088 4.408 4.320 0.000 0.000 0.272 43 A C 1.090 178.662 177.584 -0.019 0.000 1.782 43 A CA -0.181 51.858 52.037 0.003 0.000 1.451 43 A CB -0.470 18.516 19.000 -0.024 0.000 1.081 43 A HN 0.792 nan 8.150 nan 0.000 0.611 44 T N 0.525 115.095 114.554 0.026 0.000 2.759 44 T HA -0.189 4.162 4.350 0.000 0.000 0.269 44 T C 2.304 176.994 174.700 -0.016 0.000 1.042 44 T CA 2.355 64.482 62.100 0.045 0.000 1.140 44 T CB -0.313 68.611 68.868 0.094 0.000 0.864 44 T HN 0.894 nan 8.240 nan 0.000 0.455 45 T N 0.682 115.205 114.554 -0.051 0.000 2.915 45 T HA 0.081 4.431 4.350 0.000 0.000 0.269 45 T C 1.983 176.599 174.700 -0.139 0.000 1.071 45 T CA 0.656 62.712 62.100 -0.073 0.000 1.132 45 T CB -0.557 68.273 68.868 -0.064 0.000 0.878 45 T HN 0.289 nan 8.240 nan 0.000 0.479 46 L N -0.050 121.012 121.223 -0.268 0.000 2.095 46 L HA 0.187 4.527 4.340 0.000 0.000 0.204 46 L C 2.728 179.364 176.870 -0.390 0.000 1.080 46 L CA 0.937 55.443 54.840 -0.557 0.000 0.759 46 L CB -0.422 40.906 42.059 -1.220 0.000 0.914 46 L HN 0.220 nan 8.230 nan 0.000 0.439 47 I N -0.594 119.882 120.570 -0.156 0.000 2.226 47 I HA -0.290 3.880 4.170 0.000 0.000 0.245 47 I C 2.475 178.629 176.117 0.063 0.000 1.100 47 I CA 1.518 62.876 61.300 0.097 0.000 1.374 47 I CB -0.591 37.489 38.000 0.133 0.000 1.057 47 I HN 0.240 nan 8.210 nan 0.000 0.413 48 T N 0.726 115.288 114.554 0.013 0.000 2.746 48 T HA -0.153 4.197 4.350 0.000 0.000 0.267 48 T C 2.064 176.778 174.700 0.023 0.000 1.039 48 T CA 1.509 63.619 62.100 0.017 0.000 1.142 48 T CB -0.301 68.566 68.868 -0.001 0.000 0.866 48 T HN 0.488 nan 8.240 nan 0.000 0.444 49 A N 1.145 123.964 122.820 -0.001 0.000 1.902 49 A HA 0.004 4.324 4.320 0.000 0.000 0.217 49 A C 2.229 179.852 177.584 0.064 0.000 1.181 49 A CA 1.224 53.270 52.037 0.014 0.000 0.623 49 A CB -0.754 18.235 19.000 -0.019 0.000 0.818 49 A HN 0.405 nan 8.150 nan 0.000 0.443 50 L N -0.197 121.086 121.223 0.100 0.000 2.027 50 L HA -0.020 4.320 4.340 0.000 0.000 0.206 50 L C 2.647 179.610 176.870 0.156 0.000 1.074 50 L CA 2.228 57.170 54.840 0.170 0.000 0.745 50 L CB -0.862 41.365 42.059 0.281 0.000 0.898 50 L HN 0.325 nan 8.230 nan 0.000 0.433 51 A N -1.200 121.698 122.820 0.130 0.000 1.933 51 A HA -0.230 4.090 4.320 0.000 0.000 0.218 51 A C 2.153 179.817 177.584 0.133 0.000 1.175 51 A CA 1.863 53.977 52.037 0.127 0.000 0.628 51 A CB -0.786 18.268 19.000 0.091 0.000 0.814 51 A HN 0.568 nan 8.150 nan 0.000 0.444 52 D N -0.656 119.801 120.400 0.095 0.000 2.123 52 D HA -0.122 4.519 4.640 0.000 0.000 0.200 52 D C 1.966 178.311 176.300 0.075 0.000 0.976 52 D CA 1.208 55.251 54.000 0.071 0.000 0.831 52 D CB -0.096 40.731 40.800 0.045 0.000 0.974 52 D HN 0.517 nan 8.370 nan 0.000 0.469 53 K N -0.370 120.085 120.400 0.091 0.000 2.063 53 K HA -0.211 4.109 4.320 0.000 0.000 0.208 53 K C 2.264 178.921 176.600 0.094 0.000 1.048 53 K CA 1.009 57.345 56.287 0.082 0.000 0.928 53 K CB -0.275 32.282 32.500 0.095 0.000 0.713 53 K HN 0.144 nan 8.250 nan 0.000 0.442 54 Y N 1.499 121.821 120.300 0.037 0.000 2.242 54 Y HA -0.207 4.343 4.550 0.000 0.000 0.291 54 Y C 2.314 178.230 175.900 0.027 0.000 1.137 54 Y CA 1.881 60.002 58.100 0.034 0.000 1.181 54 Y CB 0.045 38.530 38.460 0.042 0.000 0.989 54 Y HN 0.000 nan 8.280 nan 0.000 0.527 55 K N -0.027 120.432 120.400 0.098 0.000 2.103 55 K HA -0.251 4.069 4.320 0.000 0.000 0.207 55 K C 1.940 178.504 176.600 -0.060 0.000 1.048 55 K CA 2.081 58.383 56.287 0.024 0.000 0.930 55 K CB -0.117 32.422 32.500 0.065 0.000 0.716 55 K HN 0.491 nan 8.250 nan 0.000 0.444 56 Q N -1.055 118.718 119.800 -0.046 0.000 2.163 56 Q HA -0.049 4.291 4.340 0.000 0.000 0.198 56 Q C 1.516 177.466 176.000 -0.084 0.000 0.954 56 Q CA 1.648 57.421 55.803 -0.050 0.000 0.851 56 Q CB 0.558 29.284 28.738 -0.020 0.000 0.928 56 Q HN 0.487 nan 8.270 nan 0.000 0.459 57 T N -4.037 110.445 114.554 -0.119 0.000 3.004 57 T HA 0.074 4.424 4.350 0.000 0.000 0.266 57 T C 0.372 174.946 174.700 -0.209 0.000 0.986 57 T CA -0.292 61.736 62.100 -0.121 0.000 0.902 57 T CB 0.621 69.452 68.868 -0.062 0.000 1.118 57 T HN -0.015 nan 8.240 nan 0.000 0.522 58 Q N 1.697 121.230 119.800 -0.444 0.000 2.480 58 Q HA -0.149 4.191 4.340 0.000 0.000 0.265 58 Q C 0.035 175.842 176.000 -0.322 0.000 1.072 58 Q CA 1.649 56.983 55.803 -0.780 0.000 1.018 58 Q CB -2.789 25.683 28.738 -0.443 0.000 1.433 58 Q HN 0.975 nan 8.270 nan 0.000 0.513 59 T N -3.419 111.089 114.554 -0.076 0.000 2.896 59 T HA 0.773 5.124 4.350 0.000 0.000 0.297 59 T C -2.805 172.047 174.700 0.253 0.000 1.108 59 T CA -1.835 60.351 62.100 0.144 0.000 1.004 59 T CB 3.553 72.454 68.868 0.056 0.000 1.159 59 T HN -0.177 nan 8.240 nan 0.000 0.499 60 P HA 0.459 nan 4.420 nan 0.000 0.275 60 P C -0.824 176.607 177.300 0.217 0.000 1.266 60 P CA -0.674 62.526 63.100 0.167 0.000 0.793 60 P CB 0.812 32.575 31.700 0.105 0.000 1.074 61 R N 0.072 120.659 120.500 0.145 0.000 2.803 61 R HA 0.381 4.721 4.340 0.000 0.000 0.276 61 R C -0.051 176.285 176.300 0.060 0.000 0.978 61 R CA -0.723 55.458 56.100 0.136 0.000 0.939 61 R CB 0.572 30.962 30.300 0.149 0.000 1.179 61 R HN 0.408 nan 8.270 nan 0.000 0.472 62 N N 0.713 119.435 118.700 0.038 0.000 2.740 62 N HA -0.179 4.561 4.740 0.000 0.000 0.248 62 N C -0.984 174.541 175.510 0.024 0.000 1.062 62 N CA 0.544 53.615 53.050 0.035 0.000 0.704 62 N CB -0.958 37.556 38.487 0.045 0.000 0.968 62 N HN 0.274 nan 8.380 nan 0.000 0.547 63 L N 0.341 121.569 121.223 0.008 0.000 2.467 63 L HA 0.185 4.525 4.340 0.000 0.000 0.270 63 L C 0.921 177.823 176.870 0.054 0.000 1.205 63 L CA 0.545 55.387 54.840 0.003 0.000 0.828 63 L CB 0.828 42.873 42.059 -0.023 0.000 1.101 63 L HN 0.082 nan 8.230 nan 0.000 0.479 64 S N 3.170 118.896 115.700 0.043 0.000 2.475 64 S HA 0.649 5.119 4.470 0.000 0.000 0.298 64 S C -0.449 174.247 174.600 0.159 0.000 1.119 64 S CA -0.523 57.781 58.200 0.173 0.000 1.085 64 S CB 1.173 64.334 63.200 -0.066 0.000 1.028 64 S HN 0.240 nan 8.310 nan 0.000 0.489 65 I N 3.433 124.160 120.570 0.260 0.000 2.441 65 I HA 0.488 4.658 4.170 0.000 0.000 0.295 65 I C -0.416 175.792 176.117 0.152 0.000 0.994 65 I CA -0.627 60.736 61.300 0.105 0.000 1.144 65 I CB 1.392 39.395 38.000 0.005 0.000 1.314 65 I HN 0.552 nan 8.210 nan 0.000 0.445 66 I N 3.990 124.599 120.570 0.064 0.000 2.418 66 I HA 0.267 4.437 4.170 0.000 0.000 0.287 66 I C 0.024 176.120 176.117 -0.035 0.000 1.008 66 I CA -0.327 60.995 61.300 0.038 0.000 1.104 66 I CB 1.999 40.035 38.000 0.060 0.000 1.264 66 I HN 0.469 nan 8.210 nan 0.000 0.438 67 S N 7.480 123.130 115.700 -0.082 0.000 2.653 67 S HA 0.426 4.896 4.470 0.000 0.000 0.272 67 S C -1.947 172.620 174.600 -0.055 0.000 1.221 67 S CA -1.507 56.644 58.200 -0.081 0.000 1.149 67 S CB 1.011 64.121 63.200 -0.150 0.000 1.029 67 S HN 0.291 nan 8.310 nan 0.000 0.481 68 P HA -0.028 nan 4.420 nan 0.000 0.215 68 P C 0.236 177.560 177.300 0.039 0.000 1.157 68 P CA 1.229 64.335 63.100 0.010 0.000 0.874 68 P CB 0.116 31.831 31.700 0.025 0.000 0.790 69 T N -1.321 113.266 114.554 0.056 0.000 2.950 69 T HA 0.573 4.923 4.350 0.000 0.000 0.288 69 T C 0.318 175.066 174.700 0.080 0.000 1.035 69 T CA -0.635 61.524 62.100 0.098 0.000 1.028 69 T CB 1.512 70.444 68.868 0.106 0.000 1.109 69 T HN -0.111 nan 8.240 nan 0.000 0.514 70 G N 1.195 110.084 108.800 0.149 0.000 2.355 70 G HA2 0.516 4.476 3.960 0.000 0.000 0.276 70 G HA3 0.516 4.476 3.960 0.000 0.000 0.276 70 G C -0.674 174.280 174.900 0.090 0.000 1.198 70 G CA -0.337 44.830 45.100 0.111 0.000 0.876 70 G HN 0.446 nan 8.290 nan 0.000 0.478 71 L N 1.911 123.161 121.223 0.045 0.000 2.379 71 L HA 0.828 5.168 4.340 0.000 0.000 0.269 71 L C 0.971 177.896 176.870 0.091 0.000 1.084 71 L CA 1.074 55.950 54.840 0.061 0.000 0.802 71 L CB 1.404 43.503 42.059 0.068 0.000 1.175 71 L HN 1.061 nan 8.230 nan 0.000 0.448 72 G N 1.282 110.164 108.800 0.138 0.000 2.362 72 G HA2 0.018 3.978 3.960 0.000 0.000 0.517 72 G HA3 0.018 3.978 3.960 0.000 0.000 0.517 72 G C -0.956 174.111 174.900 0.279 0.000 1.256 72 G CA -0.070 45.185 45.100 0.258 0.000 1.027 72 G HN 0.755 nan 8.290 nan 0.000 0.491 73 D N -0.995 119.570 120.400 0.275 0.000 2.623 73 D HA 0.267 4.907 4.640 0.000 0.000 0.252 73 D C 0.943 177.320 176.300 0.128 0.000 1.294 73 D CA -0.322 53.812 54.000 0.224 0.000 0.824 73 D CB -0.122 40.818 40.800 0.232 0.000 1.070 73 D HN 0.883 nan 8.370 nan 0.000 0.487 74 R N -0.885 119.678 120.500 0.106 0.000 3.758 74 R HA -0.158 4.183 4.340 0.000 0.000 0.299 74 R C 0.291 176.628 176.300 0.061 0.000 1.182 74 R CA 0.930 57.075 56.100 0.075 0.000 0.809 74 R CB -1.982 28.363 30.300 0.076 0.000 1.249 74 R HN 0.495 nan 8.270 nan 0.000 0.497 75 A N -0.732 122.123 122.820 0.058 0.000 3.069 75 A HA 0.330 4.650 4.320 0.000 0.000 0.173 75 A C -0.198 177.404 177.584 0.030 0.000 0.939 75 A CA -0.253 51.807 52.037 0.039 0.000 1.472 75 A CB 0.253 19.271 19.000 0.030 0.000 2.157 75 A HN 0.041 nan 8.150 nan 0.000 0.821 76 D N 0.582 120.990 120.400 0.012 0.000 2.349 76 D HA 0.212 4.852 4.640 0.000 0.000 0.214 76 D C 0.895 177.189 176.300 -0.009 0.000 1.063 76 D CA 0.215 54.217 54.000 0.003 0.000 0.847 76 D CB 0.258 41.054 40.800 -0.007 0.000 0.933 76 D HN 0.290 nan 8.370 nan 0.000 0.513 77 R N -0.242 120.250 120.500 -0.014 0.000 2.523 77 R HA 0.525 4.865 4.340 0.000 0.000 0.223 77 R C 1.211 177.565 176.300 0.090 0.000 1.280 77 R CA -0.120 55.964 56.100 -0.027 0.000 1.047 77 R CB -0.039 30.124 30.300 -0.228 0.000 1.650 77 R HN 0.034 nan 8.270 nan 0.000 0.545 78 G N 0.996 109.918 108.800 0.204 0.000 2.556 78 G HA2 -0.341 3.619 3.960 0.000 0.000 0.283 78 G HA3 -0.341 3.619 3.960 0.000 0.000 0.283 78 G C 0.622 175.589 174.900 0.111 0.000 1.177 78 G CA 0.540 45.751 45.100 0.186 0.000 0.978 78 G HN 0.719 nan 8.290 nan 0.000 0.554 79 I N -1.948 118.662 120.570 0.066 0.000 3.875 79 I HA 0.433 4.603 4.170 0.000 0.000 0.329 79 I C 2.122 178.254 176.117 0.026 0.000 1.295 79 I CA 1.131 62.457 61.300 0.043 0.000 1.129 79 I CB 0.502 38.507 38.000 0.008 0.000 1.008 79 I HN 0.249 nan 8.210 nan 0.000 0.413 80 S N 2.555 118.274 115.700 0.031 0.000 2.392 80 S HA -0.095 4.375 4.470 0.000 0.000 0.232 80 S C -0.414 174.202 174.600 0.028 0.000 1.041 80 S CA 2.013 60.229 58.200 0.027 0.000 1.026 80 S CB -1.159 62.060 63.200 0.030 0.000 0.845 80 S HN 0.459 nan 8.310 nan 0.000 0.465 81 P HA -0.015 nan 4.420 nan 0.000 0.223 81 P C 0.804 178.126 177.300 0.037 0.000 1.144 81 P CA 0.830 63.953 63.100 0.038 0.000 0.783 81 P CB -0.132 31.595 31.700 0.044 0.000 0.771 82 L N -1.843 119.394 121.223 0.024 0.000 2.591 82 L HA 0.157 4.497 4.340 0.000 0.000 0.228 82 L C 1.570 178.415 176.870 -0.042 0.000 1.133 82 L CA 0.063 54.897 54.840 -0.009 0.000 0.880 82 L CB -0.564 41.493 42.059 -0.003 0.000 1.033 82 L HN -0.101 nan 8.230 nan 0.000 0.450 83 A N 0.047 122.861 122.820 -0.010 0.000 2.543 83 A HA 0.149 4.469 4.320 0.000 0.000 0.258 83 A C 0.464 178.049 177.584 0.001 0.000 1.391 83 A CA -0.210 51.825 52.037 -0.003 0.000 1.066 83 A CB -0.519 18.494 19.000 0.022 0.000 0.972 83 A HN 0.367 nan 8.150 nan 0.000 0.560 84 Q N 0.934 120.718 119.800 -0.026 0.000 2.279 84 Q HA 0.207 4.547 4.340 0.000 0.000 0.256 84 Q C -0.565 175.428 176.000 -0.013 0.000 0.937 84 Q CA -0.236 55.586 55.803 0.031 0.000 0.933 84 Q CB 1.072 29.893 28.738 0.138 0.000 1.189 84 Q HN 0.546 nan 8.270 nan 0.000 0.417 85 E N 0.657 120.902 120.200 0.075 0.000 2.465 85 E HA 0.048 4.398 4.350 0.000 0.000 0.260 85 E C 0.713 177.382 176.600 0.116 0.000 0.980 85 E CA 0.825 57.266 56.400 0.069 0.000 0.927 85 E CB 0.354 30.101 29.700 0.078 0.000 0.934 85 E HN 0.951 nan 8.360 nan 0.000 0.459 86 G N 2.512 111.342 108.800 0.049 0.000 2.258 86 G HA2 -0.293 3.667 3.960 0.000 0.000 0.233 86 G HA3 -0.293 3.667 3.960 0.000 0.000 0.233 86 G C 0.649 175.499 174.900 -0.084 0.000 1.006 86 G CA 0.261 45.417 45.100 0.093 0.000 0.620 86 G HN 0.495 nan 8.290 nan 0.000 0.511 87 L N 1.039 121.970 121.223 -0.486 0.000 2.044 87 L HA 0.497 4.837 4.340 0.000 0.000 0.205 87 L C 1.167 177.892 176.870 -0.243 0.000 1.075 87 L CA 1.612 56.037 54.840 -0.691 0.000 0.747 87 L CB 0.005 41.438 42.059 -1.045 0.000 0.903 87 L HN 0.260 nan 8.230 nan 0.000 0.435 88 V N 0.531 120.359 119.914 -0.144 0.000 2.495 88 V HA 0.273 4.394 4.120 0.000 0.000 0.298 88 V C 0.577 176.695 176.094 0.039 0.000 1.031 88 V CA -0.260 62.026 62.300 -0.025 0.000 0.871 88 V CB 1.465 33.282 31.823 -0.009 0.000 0.988 88 V HN 0.461 nan 8.190 nan 0.000 0.432 89 K N 2.155 122.620 120.400 0.107 0.000 2.425 89 K HA 0.219 4.539 4.320 0.000 0.000 0.201 89 K C -0.149 176.608 176.600 0.262 0.000 1.128 89 K CA -0.287 56.090 56.287 0.150 0.000 1.000 89 K CB 1.022 33.602 32.500 0.135 0.000 0.961 89 K HN 0.530 nan 8.250 nan 0.000 0.555 90 W N 0.494 121.826 121.300 0.054 0.000 3.624 90 W HA 0.558 5.218 4.660 0.000 0.000 0.312 90 W C -2.243 174.339 176.519 0.105 0.000 1.203 90 W CA -0.307 57.095 57.345 0.096 0.000 1.225 90 W CB 2.045 31.561 29.460 0.092 0.000 1.321 90 W HN 0.054 nan 8.180 nan 0.000 0.506 91 A N 5.010 127.752 122.820 -0.131 0.000 2.486 91 A HA 0.775 5.095 4.320 0.000 0.000 0.300 91 A C -2.584 174.787 177.584 -0.354 0.000 1.048 91 A CA -0.695 51.279 52.037 -0.106 0.000 0.696 91 A CB 1.744 20.738 19.000 -0.011 0.000 1.278 91 A HN 0.968 nan 8.150 nan 0.000 0.405 92 L N 2.168 123.237 121.223 -0.256 0.000 2.372 92 L HA 0.784 5.125 4.340 0.000 0.000 0.273 92 L C -1.181 175.619 176.870 -0.117 0.000 0.989 92 L CA -0.142 54.604 54.840 -0.157 0.000 0.841 92 L CB 1.016 42.928 42.059 -0.246 0.000 1.225 92 L HN 0.742 nan 8.230 nan 0.000 0.414 93 C N 2.537 121.794 119.300 -0.071 0.000 2.712 93 C HA 0.690 5.150 4.460 0.000 0.000 0.308 93 C C 1.442 176.456 174.990 0.039 0.000 1.201 93 C CA -0.217 58.645 59.018 -0.259 0.000 1.554 93 C CB 1.627 28.786 27.740 -0.969 0.000 2.117 93 C HN 0.974 nan 8.230 nan 0.000 0.480 94 G N -0.752 108.076 108.800 0.048 0.000 2.494 94 G HA2 0.064 4.024 3.960 0.000 0.000 0.216 94 G HA3 0.064 4.024 3.960 0.000 0.000 0.216 94 G C 0.407 175.499 174.900 0.320 0.000 1.140 94 G CA 0.642 45.850 45.100 0.180 0.000 0.801 94 G HN 0.833 nan 8.290 nan 0.000 0.536 95 H N -2.231 116.901 119.070 0.103 0.000 2.877 95 H HA 0.241 4.797 4.556 0.000 0.000 0.347 95 H C -0.568 174.807 175.328 0.079 0.000 1.042 95 H CA -0.980 55.172 56.048 0.173 0.000 1.276 95 H CB 1.482 31.329 29.762 0.142 0.000 1.681 95 H HN 0.110 nan 8.280 nan 0.000 0.521 96 W N 2.319 123.520 121.300 -0.165 0.000 2.735 96 W HA 0.192 4.852 4.660 -0.000 0.000 0.264 96 W C 2.290 178.655 176.519 -0.256 0.000 1.233 96 W CA 0.782 58.037 57.345 -0.150 0.000 1.408 96 W CB 0.154 29.584 29.460 -0.051 0.000 1.038 96 W HN 0.789 nan 8.180 nan 0.000 0.603 97 G N -0.080 108.560 108.800 -0.267 0.000 2.470 97 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 97 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 97 G C 1.355 176.174 174.900 -0.135 0.000 1.121 97 G CA 1.056 46.047 45.100 -0.182 0.000 0.766 97 G HN 0.188 nan 8.290 nan 0.000 0.553 98 Q N 0.276 119.948 119.800 -0.214 0.000 2.172 98 Q HA 0.113 4.453 4.340 0.000 0.000 0.200 98 Q C 0.894 176.904 176.000 0.016 0.000 0.964 98 Q CA 0.624 56.413 55.803 -0.023 0.000 0.855 98 Q CB 0.140 28.912 28.738 0.056 0.000 0.918 98 Q HN 0.294 nan 8.270 nan 0.000 0.444 99 S N 1.393 117.085 115.700 -0.014 0.000 2.269 99 S HA 0.252 4.722 4.470 0.000 0.000 0.194 99 S C -2.232 172.385 174.600 0.029 0.000 1.547 99 S CA -1.085 57.121 58.200 0.011 0.000 1.186 99 S CB 1.270 64.462 63.200 -0.013 0.000 1.069 99 S HN 0.253 nan 8.310 nan 0.000 0.473 100 P HA 0.023 nan 4.420 nan 0.000 0.233 100 P C 1.114 178.453 177.300 0.065 0.000 1.167 100 P CA 0.416 63.553 63.100 0.062 0.000 0.770 100 P CB 0.374 32.103 31.700 0.049 0.000 0.837 101 R N -0.341 120.190 120.500 0.052 0.000 2.115 101 R HA 0.039 4.379 4.340 0.000 0.000 0.226 101 R C 2.329 178.668 176.300 0.065 0.000 1.100 101 R CA 0.927 57.057 56.100 0.049 0.000 0.980 101 R CB -0.965 29.357 30.300 0.037 0.000 0.875 101 R HN 0.149 nan 8.270 nan 0.000 0.445 102 I N -0.170 120.444 120.570 0.073 0.000 2.286 102 I HA -0.172 3.999 4.170 0.000 0.000 0.245 102 I C 1.835 178.102 176.117 0.250 0.000 1.104 102 I CA 1.248 62.613 61.300 0.108 0.000 1.397 102 I CB -0.979 37.026 38.000 0.009 0.000 1.072 102 I HN 0.082 nan 8.210 nan 0.000 0.417 103 S N 0.937 116.809 115.700 0.287 0.000 2.374 103 S HA -0.211 4.260 4.470 0.000 0.000 0.227 103 S C 1.574 176.246 174.600 0.120 0.000 1.037 103 S CA 1.580 59.963 58.200 0.305 0.000 1.024 103 S CB -0.284 63.050 63.200 0.224 0.000 0.861 103 S HN 0.427 nan 8.310 nan 0.000 0.456 104 D N 1.385 121.837 120.400 0.086 0.000 2.123 104 D HA -0.067 4.574 4.640 0.000 0.000 0.196 104 D C 1.878 178.198 176.300 0.033 0.000 0.992 104 D CA 0.811 54.836 54.000 0.041 0.000 0.833 104 D CB -0.415 40.407 40.800 0.037 0.000 0.954 104 D HN 0.326 nan 8.370 nan 0.000 0.455 105 L N 0.464 121.722 121.223 0.058 0.000 2.046 105 L HA -0.145 4.195 4.340 0.000 0.000 0.208 105 L C 2.515 179.400 176.870 0.025 0.000 1.077 105 L CA 1.117 55.985 54.840 0.047 0.000 0.747 105 L CB -0.410 41.689 42.059 0.067 0.000 0.896 105 L HN -0.013 nan 8.230 nan 0.000 0.432 106 A N 0.053 122.892 122.820 0.031 0.000 1.873 106 A HA -0.221 4.099 4.320 0.000 0.000 0.215 106 A C 2.137 179.650 177.584 -0.118 0.000 1.186 106 A CA 1.613 53.601 52.037 -0.081 0.000 0.616 106 A CB -0.490 18.364 19.000 -0.242 0.000 0.823 106 A HN 0.407 nan 8.150 nan 0.000 0.442 107 E N -0.268 119.874 120.200 -0.096 0.000 2.171 107 E HA -0.223 4.128 4.350 0.000 0.000 0.197 107 E C 1.691 178.251 176.600 -0.067 0.000 0.997 107 E CA 1.459 57.804 56.400 -0.091 0.000 0.810 107 E CB -0.127 29.534 29.700 -0.065 0.000 0.738 107 E HN 0.715 nan 8.360 nan 0.000 0.467 108 Q N -0.035 119.738 119.800 -0.044 0.000 2.246 108 Q HA 0.095 4.436 4.340 0.000 0.000 0.202 108 Q C -0.302 175.681 176.000 -0.030 0.000 0.883 108 Q CA -0.220 55.565 55.803 -0.030 0.000 0.952 108 Q CB 0.465 29.195 28.738 -0.013 0.000 1.078 108 Q HN 0.221 nan 8.270 nan 0.000 0.493 109 N N 0.926 119.599 118.700 -0.046 0.000 2.725 109 N HA -0.197 4.543 4.740 0.000 0.000 0.249 109 N C 0.140 175.638 175.510 -0.020 0.000 1.103 109 N CA 0.937 53.960 53.050 -0.044 0.000 0.707 109 N CB -0.495 37.968 38.487 -0.040 0.000 1.043 109 N HN 0.420 nan 8.380 nan 0.000 0.553 110 K N -0.141 120.254 120.400 -0.008 0.000 2.334 110 K HA 0.176 4.496 4.320 0.000 0.000 0.195 110 K C 1.253 177.869 176.600 0.026 0.000 1.045 110 K CA 0.631 56.926 56.287 0.013 0.000 1.004 110 K CB 0.562 33.074 32.500 0.020 0.000 0.837 110 K HN 0.477 nan 8.250 nan 0.000 0.510 111 I N -1.975 118.607 120.570 0.020 0.000 2.892 111 I HA 0.394 4.564 4.170 0.000 0.000 0.306 111 I C -0.498 175.609 176.117 -0.016 0.000 1.078 111 I CA -1.370 59.953 61.300 0.038 0.000 1.032 111 I CB 1.375 39.420 38.000 0.075 0.000 1.229 111 I HN -0.337 nan 8.210 nan 0.000 0.435 112 I N 3.064 123.629 120.570 -0.009 0.000 2.529 112 I HA 0.513 4.684 4.170 0.000 0.000 0.284 112 I C 0.482 176.408 176.117 -0.319 0.000 1.082 112 I CA 0.029 61.236 61.300 -0.154 0.000 1.406 112 I CB 0.780 38.774 38.000 -0.010 0.000 1.405 112 I HN 0.841 nan 8.210 nan 0.000 0.548 113 A N 7.141 129.667 122.820 -0.489 0.000 2.429 113 A HA 0.723 5.043 4.320 0.000 0.000 0.289 113 A C -1.602 175.663 177.584 -0.532 0.000 1.043 113 A CA -0.459 51.354 52.037 -0.374 0.000 0.722 113 A CB 0.877 19.626 19.000 -0.418 0.000 1.243 113 A HN 0.541 nan 8.150 nan 0.000 0.415 114 Y N 0.559 120.800 120.300 -0.098 0.000 2.499 114 Y HA 0.550 5.100 4.550 0.000 0.000 0.347 114 Y C 0.345 176.386 175.900 0.235 0.000 0.987 114 Y CA -0.591 57.502 58.100 -0.013 0.000 1.044 114 Y CB 2.540 40.919 38.460 -0.136 0.000 1.245 114 Y HN 0.755 nan 8.280 nan 0.000 0.461 115 N N 1.757 120.731 118.700 0.457 0.000 2.623 115 N HA 0.257 4.997 4.740 0.000 0.000 0.256 115 N C -1.667 174.124 175.510 0.469 0.000 1.045 115 N CA -0.443 52.923 53.050 0.526 0.000 0.863 115 N CB 0.502 39.324 38.487 0.559 0.000 1.182 115 N HN 0.430 nan 8.380 nan 0.000 0.523 116 Y N 2.047 122.474 120.300 0.212 0.000 2.336 116 Y HA 0.267 4.817 4.550 0.000 0.000 0.331 116 Y C -1.828 174.109 175.900 0.062 0.000 1.211 116 Y CA -2.300 55.865 58.100 0.108 0.000 1.346 116 Y CB 0.041 38.509 38.460 0.013 0.000 1.271 116 Y HN 0.467 nan 8.280 nan 0.000 0.538 117 P HA -0.050 nan 4.420 nan 0.000 0.265 117 P C 0.680 177.966 177.300 -0.024 0.000 1.187 117 P CA 0.285 63.426 63.100 0.068 0.000 0.766 117 P CB 0.497 32.187 31.700 -0.017 0.000 0.820 118 Q N 2.836 122.614 119.800 -0.036 0.000 2.112 118 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 118 Q C 1.998 177.658 176.000 -0.567 0.000 0.987 118 Q CA 2.381 58.085 55.803 -0.166 0.000 0.858 118 Q CB -0.802 27.912 28.738 -0.040 0.000 0.905 118 Q HN 0.676 nan 8.270 nan 0.000 0.420 119 G N -0.243 107.902 108.800 -1.092 0.000 2.402 119 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 119 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 119 G C 1.416 176.038 174.900 -0.464 0.000 1.162 119 G CA 0.808 45.024 45.100 -1.473 0.000 0.777 119 G HN 0.294 nan 8.290 nan 0.000 0.539 120 V N 0.784 120.548 119.914 -0.250 0.000 2.343 120 V HA -0.131 3.990 4.120 0.000 0.000 0.247 120 V C 2.725 178.688 176.094 -0.219 0.000 1.051 120 V CA 1.504 63.626 62.300 -0.296 0.000 1.036 120 V CB -0.443 30.938 31.823 -0.736 0.000 0.654 120 V HN 0.372 nan 8.190 nan 0.000 0.451 121 L N -0.268 120.893 121.223 -0.103 0.000 1.990 121 L HA -0.262 4.078 4.340 0.000 0.000 0.213 121 L C 2.720 179.582 176.870 -0.012 0.000 1.072 121 L CA 2.529 57.402 54.840 0.055 0.000 0.755 121 L CB -0.487 41.598 42.059 0.044 0.000 0.889 121 L HN 0.432 nan 8.230 nan 0.000 0.432 122 T N -1.280 113.227 114.554 -0.079 0.000 2.788 122 T HA -0.237 4.113 4.350 0.000 0.000 0.268 122 T C 1.750 176.430 174.700 -0.032 0.000 1.044 122 T CA 1.644 63.718 62.100 -0.042 0.000 1.139 122 T CB -0.031 68.822 68.868 -0.026 0.000 0.867 122 T HN 0.463 nan 8.240 nan 0.000 0.454 123 Q N 0.174 119.937 119.800 -0.062 0.000 2.119 123 Q HA -0.079 4.261 4.340 0.000 0.000 0.201 123 Q C 2.646 178.631 176.000 -0.025 0.000 0.972 123 Q CA 1.903 57.681 55.803 -0.042 0.000 0.847 123 Q CB -0.310 28.397 28.738 -0.052 0.000 0.903 123 Q HN 0.729 nan 8.270 nan 0.000 0.433 124 T N -0.966 113.577 114.554 -0.018 0.000 2.867 124 T HA -0.070 4.280 4.350 0.000 0.000 0.268 124 T C 1.827 176.549 174.700 0.036 0.000 1.057 124 T CA 0.656 62.770 62.100 0.023 0.000 1.136 124 T CB -0.239 68.695 68.868 0.110 0.000 0.874 124 T HN 0.134 nan 8.240 nan 0.000 0.466 125 L N 0.152 121.392 121.223 0.029 0.000 2.093 125 L HA 0.090 4.430 4.340 0.000 0.000 0.208 125 L C 3.240 180.127 176.870 0.028 0.000 1.085 125 L CA 1.238 56.095 54.840 0.029 0.000 0.755 125 L CB -0.465 41.608 42.059 0.023 0.000 0.904 125 L HN 0.200 nan 8.230 nan 0.000 0.435 126 R N 0.140 120.650 120.500 0.016 0.000 2.081 126 R HA -0.170 4.170 4.340 0.000 0.000 0.235 126 R C 2.349 178.662 176.300 0.022 0.000 1.131 126 R CA 1.363 57.471 56.100 0.013 0.000 0.960 126 R CB -0.216 30.085 30.300 0.001 0.000 0.856 126 R HN 0.347 nan 8.270 nan 0.000 0.436 127 A N 0.730 123.563 122.820 0.022 0.000 1.883 127 A HA -0.146 4.174 4.320 0.000 0.000 0.217 127 A C 2.350 179.971 177.584 0.062 0.000 1.186 127 A CA 1.767 53.824 52.037 0.033 0.000 0.624 127 A CB -0.854 18.159 19.000 0.021 0.000 0.822 127 A HN 0.520 nan 8.150 nan 0.000 0.444 128 A N -0.160 122.699 122.820 0.065 0.000 1.940 128 A HA 0.108 4.428 4.320 0.000 0.000 0.219 128 A C 2.484 180.152 177.584 0.140 0.000 1.176 128 A CA 2.181 54.274 52.037 0.094 0.000 0.631 128 A CB -1.004 18.035 19.000 0.065 0.000 0.814 128 A HN 1.136 nan 8.150 nan 0.000 0.446 129 A N -0.431 122.440 122.820 0.086 0.000 1.940 129 A HA 0.180 4.500 4.320 0.000 0.000 0.219 129 A C 2.223 179.820 177.584 0.022 0.000 1.176 129 A CA 1.913 53.988 52.037 0.064 0.000 0.631 129 A CB -0.690 18.332 19.000 0.036 0.000 0.814 129 A HN 1.158 nan 8.150 nan 0.000 0.446 130 A N -2.433 120.408 122.820 0.036 0.000 2.307 130 A HA 0.307 4.627 4.320 0.000 0.000 0.218 130 A C 0.630 178.264 177.584 0.082 0.000 1.228 130 A CA 0.536 52.576 52.037 0.005 0.000 0.857 130 A CB -0.799 18.211 19.000 0.016 0.000 0.897 130 A HN 0.715 nan 8.150 nan 0.000 0.495 131 H N -1.046 118.037 119.070 0.022 0.000 2.861 131 H HA -0.165 4.391 4.556 0.000 0.000 0.289 131 H C -0.279 175.067 175.328 0.029 0.000 1.176 131 H CA 0.373 56.435 56.048 0.022 0.000 1.146 131 H CB -1.385 28.388 29.762 0.018 0.000 1.330 131 H HN 0.733 nan 8.280 nan 0.000 0.379 132 Q N 1.218 121.101 119.800 0.139 0.000 2.288 132 Q HA 0.071 4.411 4.340 0.000 0.000 0.254 132 Q C -1.310 174.748 176.000 0.097 0.000 0.932 132 Q CA -1.525 54.338 55.803 0.099 0.000 0.902 132 Q CB 0.990 29.771 28.738 0.071 0.000 1.203 132 Q HN 0.235 nan 8.270 nan 0.000 0.415 133 P HA -0.023 nan 4.420 nan 0.000 0.225 133 P C 0.102 177.492 177.300 0.150 0.000 1.156 133 P CA 0.744 63.934 63.100 0.150 0.000 0.787 133 P CB 0.533 32.353 31.700 0.201 0.000 0.802 134 G N -0.147 108.703 108.800 0.085 0.000 2.342 134 G HA2 0.498 4.458 3.960 0.000 0.000 0.297 134 G HA3 0.498 4.458 3.960 0.000 0.000 0.297 134 G C -1.874 172.922 174.900 -0.173 0.000 1.313 134 G CA -0.690 44.273 45.100 -0.227 0.000 0.830 134 G HN 0.184 nan 8.290 nan 0.000 0.506 135 I N -2.045 118.355 120.570 -0.282 0.000 2.646 135 I HA 0.815 4.985 4.170 0.000 0.000 0.299 135 I C -0.903 175.195 176.117 -0.031 0.000 1.036 135 I CA -1.468 59.773 61.300 -0.099 0.000 1.074 135 I CB 2.260 40.219 38.000 -0.067 0.000 1.258 135 I HN 0.389 nan 8.210 nan 0.000 0.430 136 I N 4.355 124.936 120.570 0.019 0.000 2.312 136 I HA 0.485 4.655 4.170 0.000 0.000 0.290 136 I C 0.024 176.163 176.117 0.037 0.000 1.008 136 I CA -0.109 61.219 61.300 0.047 0.000 1.226 136 I CB 1.472 39.393 38.000 -0.133 0.000 1.371 136 I HN 0.691 nan 8.210 nan 0.000 0.468 137 S N 3.404 119.224 115.700 0.199 0.000 2.536 137 S HA 0.282 4.752 4.470 0.000 0.000 0.271 137 S C -0.185 174.616 174.600 0.335 0.000 1.134 137 S CA -0.753 57.584 58.200 0.229 0.000 0.897 137 S CB 1.392 64.668 63.200 0.127 0.000 1.094 137 S HN 0.729 nan 8.310 nan 0.000 0.473 138 D N 2.692 123.275 120.400 0.305 0.000 2.339 138 D HA 0.100 4.740 4.640 0.000 0.000 0.217 138 D C 0.510 176.818 176.300 0.013 0.000 1.050 138 D CA -0.120 53.945 54.000 0.108 0.000 0.856 138 D CB -0.168 40.588 40.800 -0.074 0.000 0.922 138 D HN 0.401 nan 8.370 nan 0.000 0.518 139 I N 1.352 121.911 120.570 -0.019 0.000 2.664 139 I HA 0.293 4.463 4.170 0.000 0.000 0.284 139 I C 1.824 177.955 176.117 0.023 0.000 1.154 139 I CA 1.148 62.391 61.300 -0.095 0.000 1.402 139 I CB 0.005 37.786 38.000 -0.365 0.000 1.395 139 I HN 0.430 nan 8.210 nan 0.000 0.545 140 G N 6.591 115.394 108.800 0.004 0.000 2.238 140 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 140 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 140 G C 0.453 175.321 174.900 -0.054 0.000 0.996 140 G CA -0.645 44.453 45.100 -0.003 0.000 0.632 140 G HN 0.438 nan 8.290 nan 0.000 0.503 141 I N 2.076 122.611 120.570 -0.058 0.000 2.826 141 I HA 0.277 4.447 4.170 0.000 0.000 0.295 141 I C 1.898 177.965 176.117 -0.084 0.000 1.213 141 I CA 2.506 63.757 61.300 -0.082 0.000 1.436 141 I CB -0.030 37.912 38.000 -0.096 0.000 1.348 141 I HN 1.370 nan 8.210 nan 0.000 0.570 142 G N 4.227 112.977 108.800 -0.082 0.000 2.179 142 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 142 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 142 G C 0.358 175.230 174.900 -0.047 0.000 0.977 142 G CA 0.582 45.635 45.100 -0.079 0.000 0.641 142 G HN 0.905 nan 8.290 nan 0.000 0.533 143 T N -2.511 112.026 114.554 -0.029 0.000 2.870 143 T HA 0.641 4.991 4.350 0.000 0.000 0.277 143 T C 1.357 176.072 174.700 0.024 0.000 1.000 143 T CA 0.120 62.245 62.100 0.042 0.000 0.982 143 T CB 0.995 69.908 68.868 0.074 0.000 1.249 143 T HN 1.123 nan 8.240 nan 0.000 0.589 144 F N 0.044 119.969 119.950 -0.042 0.000 2.408 144 F HA 0.140 4.667 4.527 0.000 0.000 0.300 144 F C 1.600 177.374 175.800 -0.044 0.000 1.090 144 F CA 0.413 58.376 58.000 -0.063 0.000 1.427 144 F CB -1.177 37.728 39.000 -0.158 0.000 1.070 144 F HN 0.228 nan 8.300 nan 0.000 0.549 145 V N 0.359 119.793 119.914 -0.799 0.000 2.719 145 V HA -0.166 3.954 4.120 0.000 0.000 0.252 145 V C 0.904 176.828 176.094 -0.282 0.000 1.065 145 V CA 1.290 63.226 62.300 -0.606 0.000 1.086 145 V CB -0.848 30.671 31.823 -0.507 0.000 0.700 145 V HN 0.315 nan 8.190 nan 0.000 0.467 146 D N 1.237 121.516 120.400 -0.203 0.000 2.487 146 D HA -0.004 4.636 4.640 0.000 0.000 0.243 146 D C -1.356 174.886 176.300 -0.098 0.000 1.154 146 D CA -1.601 52.314 54.000 -0.141 0.000 0.876 146 D CB 1.727 42.468 40.800 -0.098 0.000 1.161 146 D HN 0.146 nan 8.370 nan 0.000 0.478 147 P HA -0.109 nan 4.420 nan 0.000 0.222 147 P C 0.927 178.211 177.300 -0.026 0.000 1.147 147 P CA 0.822 63.894 63.100 -0.046 0.000 0.790 147 P CB 0.250 31.922 31.700 -0.047 0.000 0.780 148 R N -0.834 119.644 120.500 -0.036 0.000 2.280 148 R HA 0.008 4.348 4.340 0.000 0.000 0.207 148 R C 2.139 178.430 176.300 -0.014 0.000 1.043 148 R CA 0.841 56.925 56.100 -0.026 0.000 1.006 148 R CB -0.097 30.181 30.300 -0.036 0.000 0.885 148 R HN 0.419 nan 8.270 nan 0.000 0.467 149 Q N -0.611 119.185 119.800 -0.007 0.000 2.679 149 Q HA 0.076 4.417 4.340 0.000 0.000 0.255 149 Q C 1.095 177.123 176.000 0.046 0.000 1.053 149 Q CA 0.054 55.871 55.803 0.023 0.000 0.620 149 Q CB 0.221 28.984 28.738 0.042 0.000 3.775 149 Q HN -0.038 nan 8.270 nan 0.000 0.446 150 Q N -0.529 119.320 119.800 0.082 0.000 2.281 150 Q HA 0.227 4.567 4.340 0.000 0.000 0.215 150 Q C 0.236 176.288 176.000 0.087 0.000 0.867 150 Q CA 0.582 56.450 55.803 0.108 0.000 0.940 150 Q CB 1.116 29.978 28.738 0.207 0.000 1.111 150 Q HN 0.749 nan 8.270 nan 0.000 0.513 151 G N 0.349 109.167 108.800 0.029 0.000 2.258 151 G HA2 -0.221 3.739 3.960 0.000 0.000 0.274 151 G HA3 -0.221 3.739 3.960 0.000 0.000 0.274 151 G C 0.850 175.799 174.900 0.083 0.000 1.021 151 G CA 0.450 45.563 45.100 0.022 0.000 0.798 151 G HN 0.861 nan 8.290 nan 0.000 0.507 152 G N -1.487 107.321 108.800 0.013 0.000 2.168 152 G HA2 -0.313 3.647 3.960 0.000 0.000 0.263 152 G HA3 -0.313 3.647 3.960 0.000 0.000 0.263 152 G C 0.402 175.474 174.900 0.287 0.000 0.977 152 G CA 1.185 46.341 45.100 0.094 0.000 0.659 152 G HN 1.080 nan 8.290 nan 0.000 0.533 153 K N -0.176 120.334 120.400 0.184 0.000 2.276 153 K HA 0.564 4.884 4.320 0.000 0.000 0.283 153 K C 1.270 177.845 176.600 -0.040 0.000 1.044 153 K CA -0.484 55.782 56.287 -0.035 0.000 0.944 153 K CB 1.124 33.586 32.500 -0.063 0.000 1.012 153 K HN 0.163 nan 8.250 nan 0.000 0.472 154 L N 1.843 122.944 121.223 -0.203 0.000 2.513 154 L HA 0.010 4.350 4.340 0.000 0.000 0.222 154 L C 0.389 177.119 176.870 -0.232 0.000 1.096 154 L CA 0.121 54.815 54.840 -0.244 0.000 0.857 154 L CB -0.236 41.530 42.059 -0.489 0.000 1.026 154 L HN 0.742 nan 8.230 nan 0.000 0.469 155 N N -2.418 116.151 118.700 -0.218 0.000 3.157 155 N HA 0.112 4.852 4.740 0.000 0.000 0.291 155 N C 0.198 175.635 175.510 -0.122 0.000 1.515 155 N CA -0.737 52.214 53.050 -0.164 0.000 0.807 155 N CB 0.694 39.078 38.487 -0.172 0.000 1.672 155 N HN -0.237 nan 8.380 nan 0.000 0.592 156 E N -0.820 119.326 120.200 -0.089 0.000 2.216 156 E HA 0.015 4.365 4.350 0.000 0.000 0.192 156 E C 1.296 177.863 176.600 -0.055 0.000 0.988 156 E CA 0.412 56.776 56.400 -0.061 0.000 0.834 156 E CB 0.012 29.685 29.700 -0.044 0.000 0.772 156 E HN 0.379 nan 8.360 nan 0.000 0.479 157 V N 0.621 120.496 119.914 -0.063 0.000 2.809 157 V HA -0.082 4.038 4.120 0.000 0.000 0.256 157 V C 0.431 176.494 176.094 -0.053 0.000 1.080 157 V CA 1.155 63.428 62.300 -0.044 0.000 1.102 157 V CB -0.055 31.748 31.823 -0.034 0.000 0.705 157 V HN 0.149 nan 8.190 nan 0.000 0.475 158 T N 1.871 116.355 114.554 -0.117 0.000 2.779 158 T HA 0.216 4.566 4.350 0.000 0.000 0.296 158 T C 0.727 175.383 174.700 -0.074 0.000 0.938 158 T CA -0.196 61.798 62.100 -0.177 0.000 1.119 158 T CB 0.914 69.531 68.868 -0.419 0.000 0.891 158 T HN 0.306 nan 8.240 nan 0.000 0.526 159 K N 1.701 122.116 120.400 0.025 0.000 2.424 159 K HA 0.163 4.483 4.320 0.000 0.000 0.200 159 K C 0.775 177.461 176.600 0.143 0.000 1.279 159 K CA -0.007 56.323 56.287 0.072 0.000 0.918 159 K CB 0.263 32.802 32.500 0.064 0.000 1.287 159 K HN 0.568 nan 8.250 nan 0.000 0.502 160 E N 2.975 123.308 120.200 0.222 0.000 2.415 160 E HA -0.034 4.316 4.350 0.000 0.000 0.263 160 E C -0.874 175.902 176.600 0.293 0.000 0.995 160 E CA 0.074 56.623 56.400 0.248 0.000 0.915 160 E CB 0.514 30.383 29.700 0.282 0.000 0.951 160 E HN -0.007 nan 8.360 nan 0.000 0.449 161 D N 5.026 125.541 120.400 0.192 0.000 2.343 161 D HA 0.073 4.713 4.640 0.000 0.000 0.255 161 D C 0.767 177.154 176.300 0.145 0.000 1.187 161 D CA 0.116 54.216 54.000 0.167 0.000 0.875 161 D CB 1.109 41.972 40.800 0.105 0.000 1.136 161 D HN 0.466 nan 8.370 nan 0.000 0.469 162 L N 2.096 123.398 121.223 0.132 0.000 2.556 162 L HA 0.272 4.612 4.340 0.000 0.000 0.226 162 L C 0.609 177.526 176.870 0.078 0.000 1.089 162 L CA 0.354 55.254 54.840 0.099 0.000 0.864 162 L CB 0.252 42.333 42.059 0.036 0.000 1.067 162 L HN 0.222 nan 8.230 nan 0.000 0.477 163 I N 0.794 121.372 120.570 0.013 0.000 2.509 163 I HA 0.293 4.464 4.170 0.000 0.000 0.293 163 I C -0.531 175.552 176.117 -0.057 0.000 1.020 163 I CA -0.578 60.633 61.300 -0.147 0.000 1.088 163 I CB 1.972 39.767 38.000 -0.341 0.000 1.267 163 I HN 0.008 nan 8.210 nan 0.000 0.430 164 K N 5.936 126.324 120.400 -0.020 0.000 2.482 164 K HA 0.586 4.906 4.320 0.000 0.000 0.257 164 K C -1.549 175.050 176.600 -0.002 0.000 0.969 164 K CA -0.912 55.378 56.287 0.005 0.000 0.842 164 K CB 2.642 35.165 32.500 0.038 0.000 1.359 164 K HN 0.491 nan 8.250 nan 0.000 0.441 165 L N 3.162 124.375 121.223 -0.016 0.000 2.331 165 L HA 0.302 4.642 4.340 0.000 0.000 0.278 165 L C -0.299 176.579 176.870 0.014 0.000 1.106 165 L CA -0.542 54.294 54.840 -0.007 0.000 0.824 165 L CB 1.256 43.297 42.059 -0.030 0.000 1.142 165 L HN 0.673 nan 8.230 nan 0.000 0.443 166 V N 1.760 121.717 119.914 0.072 0.000 3.126 166 V HA 0.668 4.788 4.120 0.000 0.000 0.314 166 V C -0.848 175.282 176.094 0.061 0.000 1.138 166 V CA -0.853 61.476 62.300 0.048 0.000 1.034 166 V CB 2.365 34.281 31.823 0.155 0.000 1.075 166 V HN 0.700 nan 8.190 nan 0.000 0.442 167 E N 0.715 120.822 120.200 -0.156 0.000 2.275 167 E HA 0.641 4.991 4.350 0.000 0.000 0.270 167 E C -2.135 174.214 176.600 -0.419 0.000 0.882 167 E CA -0.121 56.217 56.400 -0.103 0.000 0.758 167 E CB 2.548 32.175 29.700 -0.122 0.000 1.195 167 E HN 0.688 nan 8.360 nan 0.000 0.419 168 F N 0.780 120.881 119.950 0.252 0.000 2.581 168 F HA 0.197 4.724 4.527 0.000 0.000 0.311 168 F C 0.161 176.084 175.800 0.205 0.000 1.113 168 F CA -0.807 57.292 58.000 0.166 0.000 0.935 168 F CB 1.541 40.567 39.000 0.043 0.000 1.232 168 F HN 0.343 nan 8.300 nan 0.000 0.445 169 D N 2.491 123.054 120.400 0.272 0.000 2.751 169 D HA -0.318 4.322 4.640 0.000 0.000 0.233 169 D C 0.387 176.767 176.300 0.133 0.000 1.149 169 D CA 1.302 55.413 54.000 0.184 0.000 0.682 169 D CB -0.887 40.033 40.800 0.201 0.000 1.068 169 D HN 0.955 nan 8.370 nan 0.000 0.429 170 N N -0.722 118.033 118.700 0.091 0.000 2.747 170 N HA -0.252 4.488 4.740 0.000 0.000 0.249 170 N C -0.861 174.664 175.510 0.025 0.000 1.107 170 N CA 1.184 54.259 53.050 0.041 0.000 0.707 170 N CB -0.325 38.177 38.487 0.025 0.000 1.054 170 N HN 0.434 nan 8.380 nan 0.000 0.555 171 K N 0.576 121.006 120.400 0.051 0.000 2.426 171 K HA 0.337 4.657 4.320 0.000 0.000 0.251 171 K C -0.895 175.605 176.600 -0.167 0.000 0.941 171 K CA -0.673 55.562 56.287 -0.087 0.000 0.808 171 K CB 1.695 34.109 32.500 -0.142 0.000 1.265 171 K HN 0.110 nan 8.250 nan 0.000 0.432 172 E N 1.606 121.638 120.200 -0.280 0.000 2.313 172 E HA 0.197 4.547 4.350 0.000 0.000 0.276 172 E C -1.043 175.286 176.600 -0.452 0.000 1.031 172 E CA -0.024 56.240 56.400 -0.225 0.000 0.857 172 E CB 0.656 30.259 29.700 -0.162 0.000 1.040 172 E HN 0.316 nan 8.360 nan 0.000 0.408 173 Y N 0.648 120.985 120.300 0.062 0.000 2.609 173 Y HA 0.388 4.938 4.550 0.000 0.000 0.342 173 Y C -0.256 175.667 175.900 0.039 0.000 1.058 173 Y CA -0.942 57.205 58.100 0.078 0.000 1.055 173 Y CB 1.275 39.839 38.460 0.173 0.000 1.292 173 Y HN 0.276 nan 8.280 nan 0.000 0.476 174 L N 1.829 123.157 121.223 0.175 0.000 2.322 174 L HA 0.376 4.716 4.340 0.000 0.000 0.279 174 L C -1.229 175.665 176.870 0.041 0.000 1.036 174 L CA -0.966 53.857 54.840 -0.029 0.000 0.807 174 L CB 1.271 43.138 42.059 -0.320 0.000 1.226 174 L HN 0.602 nan 8.230 nan 0.000 0.433 175 Y N 2.708 122.934 120.300 -0.123 0.000 2.335 175 Y HA 0.387 4.937 4.550 0.000 0.000 0.339 175 Y C -1.167 174.628 175.900 -0.176 0.000 0.987 175 Y CA -0.578 57.496 58.100 -0.044 0.000 1.140 175 Y CB 0.637 39.109 38.460 0.020 0.000 1.173 175 Y HN 0.307 nan 8.280 nan 0.000 0.486 176 Y N 5.663 125.603 120.300 -0.600 0.000 2.335 176 Y HA 0.296 4.846 4.550 0.000 0.000 0.339 176 Y C 0.269 175.791 175.900 -0.631 0.000 0.987 176 Y CA -0.852 56.899 58.100 -0.582 0.000 1.140 176 Y CB 1.130 39.194 38.460 -0.661 0.000 1.173 176 Y HN 0.497 nan 8.280 nan 0.000 0.486 177 K N 2.505 122.816 120.400 -0.148 0.000 2.401 177 K HA 0.489 4.809 4.320 0.000 0.000 0.278 177 K C -0.420 176.242 176.600 0.104 0.000 1.018 177 K CA -0.254 56.021 56.287 -0.019 0.000 0.981 177 K CB 0.427 33.011 32.500 0.140 0.000 0.933 177 K HN 0.803 nan 8.250 nan 0.000 0.477 178 A N 5.524 128.373 122.820 0.049 0.000 2.289 178 A HA 0.420 4.740 4.320 0.000 0.000 0.298 178 A C -0.455 177.164 177.584 0.059 0.000 1.208 178 A CA -0.668 51.413 52.037 0.072 0.000 0.845 178 A CB 0.094 19.119 19.000 0.042 0.000 1.125 178 A HN 0.742 nan 8.150 nan 0.000 0.517 179 I N 2.212 122.813 120.570 0.052 0.000 2.378 179 I HA 0.500 4.671 4.170 0.000 0.000 0.291 179 I C 0.550 176.664 176.117 -0.005 0.000 0.992 179 I CA -0.233 61.068 61.300 0.001 0.000 1.154 179 I CB 1.991 39.983 38.000 -0.012 0.000 1.315 179 I HN 0.678 nan 8.210 nan 0.000 0.448 180 A N 8.130 130.935 122.820 -0.025 0.000 2.290 180 A HA 0.811 5.132 4.320 0.000 0.000 0.310 180 A C -2.532 175.030 177.584 -0.037 0.000 1.202 180 A CA -1.462 50.569 52.037 -0.011 0.000 0.837 180 A CB 0.148 19.151 19.000 0.004 0.000 1.139 180 A HN 0.390 nan 8.150 nan 0.000 0.509 181 P HA 0.321 nan 4.420 nan 0.000 0.276 181 P C -0.348 176.931 177.300 -0.036 0.000 1.244 181 P CA -0.293 62.782 63.100 -0.041 0.000 0.801 181 P CB 0.961 32.642 31.700 -0.030 0.000 1.006 182 D N -0.234 120.136 120.400 -0.050 0.000 2.338 182 D HA 0.128 4.768 4.640 0.000 0.000 0.208 182 D C 0.444 176.729 176.300 -0.025 0.000 0.997 182 D CA 1.136 55.114 54.000 -0.036 0.000 0.880 182 D CB 0.460 41.234 40.800 -0.044 0.000 0.980 182 D HN 0.205 nan 8.370 nan 0.000 0.509 183 I N 0.651 121.189 120.570 -0.052 0.000 2.647 183 I HA 0.504 4.675 4.170 0.000 0.000 0.295 183 I C -0.637 175.426 176.117 -0.089 0.000 1.078 183 I CA -1.076 60.189 61.300 -0.058 0.000 1.048 183 I CB 1.924 39.860 38.000 -0.107 0.000 1.239 183 I HN -0.272 nan 8.210 nan 0.000 0.421 184 A N 5.647 128.460 122.820 -0.011 0.000 2.356 184 A HA 0.807 5.127 4.320 0.000 0.000 0.310 184 A C -1.420 176.291 177.584 0.213 0.000 1.075 184 A CA -0.376 51.677 52.037 0.028 0.000 0.746 184 A CB 1.012 20.052 19.000 0.066 0.000 1.221 184 A HN 0.384 nan 8.150 nan 0.000 0.443 185 F N 3.380 123.350 119.950 0.033 0.000 2.303 185 F HA 0.451 4.978 4.527 0.000 0.000 0.368 185 F C 0.461 176.284 175.800 0.037 0.000 1.105 185 F CA -1.363 56.657 58.000 0.033 0.000 1.153 185 F CB 0.402 39.423 39.000 0.034 0.000 1.362 185 F HN 0.567 nan 8.300 nan 0.000 0.511 186 I N 0.537 121.233 120.570 0.209 0.000 3.217 186 I HA 0.820 4.990 4.170 0.000 0.000 0.308 186 I C -0.631 175.536 176.117 0.083 0.000 1.091 186 I CA -1.247 60.139 61.300 0.143 0.000 1.013 186 I CB 2.539 40.618 38.000 0.132 0.000 1.250 186 I HN 0.439 nan 8.210 nan 0.000 0.496 187 R N 1.444 121.986 120.500 0.069 0.000 2.680 187 R HA 0.852 5.192 4.340 0.000 0.000 0.269 187 R C -1.939 174.250 176.300 -0.186 0.000 1.026 187 R CA -0.405 55.677 56.100 -0.030 0.000 0.889 187 R CB 2.286 32.583 30.300 -0.005 0.000 1.241 187 R HN 1.078 nan 8.270 nan 0.000 0.463 188 A N 0.911 123.509 122.820 -0.371 0.000 2.567 188 A HA 0.471 4.791 4.320 0.000 0.000 0.289 188 A C 0.097 177.399 177.584 -0.470 0.000 1.177 188 A CA -0.527 51.001 52.037 -0.849 0.000 0.694 188 A CB 1.406 19.840 19.000 -0.944 0.000 1.292 188 A HN 0.698 nan 8.150 nan 0.000 0.425 189 T N 0.507 114.790 114.554 -0.452 0.000 2.770 189 T HA 0.175 4.525 4.350 0.000 0.000 0.258 189 T C 0.465 175.078 174.700 -0.144 0.000 1.039 189 T CA 2.077 64.056 62.100 -0.202 0.000 1.143 189 T CB -0.143 68.657 68.868 -0.113 0.000 0.866 189 T HN 0.767 nan 8.240 nan 0.000 0.428 190 T N 0.943 115.410 114.554 -0.144 0.000 2.916 190 T HA 0.571 4.921 4.350 0.000 0.000 0.305 190 T C -0.823 173.838 174.700 -0.065 0.000 1.119 190 T CA -0.956 61.098 62.100 -0.076 0.000 1.008 190 T CB 1.728 70.575 68.868 -0.036 0.000 1.129 190 T HN 0.559 nan 8.240 nan 0.000 0.480 191 C N 1.333 120.612 119.300 -0.035 0.000 2.994 191 C HA 0.944 5.405 4.460 0.000 0.000 0.304 191 C C -0.259 174.745 174.990 0.023 0.000 1.273 191 C CA -1.104 57.913 59.018 -0.002 0.000 1.537 191 C CB 1.195 28.924 27.740 -0.019 0.000 2.001 191 C HN 0.958 nan 8.230 nan 0.000 0.471 192 D N 1.023 121.461 120.400 0.063 0.000 2.433 192 D HA 0.263 4.903 4.640 0.000 0.000 0.255 192 D C 1.317 177.653 176.300 0.060 0.000 1.226 192 D CA 0.203 54.237 54.000 0.058 0.000 1.015 192 D CB 0.541 41.376 40.800 0.058 0.000 1.091 192 D HN 0.848 nan 8.370 nan 0.000 0.527 193 S N -1.168 114.561 115.700 0.049 0.000 2.469 193 S HA -0.182 4.288 4.470 0.000 0.000 0.238 193 S C 1.064 175.701 174.600 0.061 0.000 0.998 193 S CA 0.869 59.093 58.200 0.041 0.000 0.957 193 S CB -0.576 62.641 63.200 0.029 0.000 0.764 193 S HN 0.619 nan 8.310 nan 0.000 0.514 194 E N 0.358 120.627 120.200 0.115 0.000 2.481 194 E HA 0.324 4.674 4.350 0.000 0.000 0.198 194 E C 1.175 177.827 176.600 0.086 0.000 1.027 194 E CA 0.210 56.700 56.400 0.148 0.000 0.900 194 E CB 0.333 30.193 29.700 0.266 0.000 0.993 194 E HN 0.683 nan 8.360 nan 0.000 0.482 195 G N 1.021 109.855 108.800 0.057 0.000 2.195 195 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 195 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 195 G C -0.203 174.626 174.900 -0.118 0.000 0.990 195 G CA -0.495 44.567 45.100 -0.063 0.000 0.639 195 G HN 0.217 nan 8.290 nan 0.000 0.514 196 Y N 1.775 122.039 120.300 -0.060 0.000 2.605 196 Y HA 0.447 4.997 4.550 0.000 0.000 0.336 196 Y C 0.926 176.805 175.900 -0.035 0.000 1.111 196 Y CA 0.683 58.746 58.100 -0.062 0.000 1.422 196 Y CB 0.742 39.173 38.460 -0.047 0.000 1.193 196 Y HN 0.529 nan 8.280 nan 0.000 0.526 197 A N 2.882 125.747 122.820 0.075 0.000 2.350 197 A HA 0.779 5.099 4.320 0.000 0.000 0.324 197 A C -0.097 177.568 177.584 0.135 0.000 1.118 197 A CA -0.575 51.493 52.037 0.053 0.000 0.783 197 A CB 0.739 19.729 19.000 -0.016 0.000 1.236 197 A HN 0.660 nan 8.150 nan 0.000 0.457 198 T N -2.028 112.573 114.554 0.078 0.000 2.950 198 T HA 0.702 5.052 4.350 0.000 0.000 0.288 198 T C -0.648 174.112 174.700 0.100 0.000 1.035 198 T CA -0.319 61.888 62.100 0.178 0.000 1.028 198 T CB 0.913 69.848 68.868 0.112 0.000 1.109 198 T HN 0.312 nan 8.240 nan 0.000 0.514 199 F N 0.992 120.990 119.950 0.080 0.000 2.881 199 F HA 0.259 4.786 4.527 0.000 0.000 0.343 199 F C 1.996 177.858 175.800 0.102 0.000 1.233 199 F CA -1.006 57.069 58.000 0.126 0.000 1.262 199 F CB 0.447 39.612 39.000 0.275 0.000 0.980 199 F HN 0.769 nan 8.300 nan 0.000 0.506 200 E N -0.424 119.871 120.200 0.158 0.000 2.153 200 E HA -0.195 4.155 4.350 0.000 0.000 0.194 200 E C 0.394 177.029 176.600 0.058 0.000 0.988 200 E CA 1.719 58.176 56.400 0.096 0.000 0.811 200 E CB -0.047 29.682 29.700 0.048 0.000 0.746 200 E HN 0.281 nan 8.360 nan 0.000 0.466 201 D N 0.666 121.091 120.400 0.041 0.000 2.379 201 D HA 0.066 4.706 4.640 0.000 0.000 0.208 201 D C -0.053 176.265 176.300 0.030 0.000 1.065 201 D CA 0.085 54.100 54.000 0.025 0.000 0.848 201 D CB 0.290 41.095 40.800 0.009 0.000 0.949 201 D HN 0.107 nan 8.370 nan 0.000 0.509 202 E N 0.754 120.989 120.200 0.058 0.000 2.390 202 E HA 0.132 4.482 4.350 0.000 0.000 0.261 202 E C 0.743 177.359 176.600 0.026 0.000 1.076 202 E CA -0.358 56.083 56.400 0.070 0.000 0.905 202 E CB 1.430 31.243 29.700 0.188 0.000 0.984 202 E HN -0.159 nan 8.360 nan 0.000 0.427 206 L N 0.705 121.976 121.223 0.079 0.000 6.328 206 L HA -0.370 3.971 4.340 0.000 0.000 0.053 206 L C 0.427 177.327 176.870 0.050 0.000 2.032 206 L CA 1.975 56.855 54.840 0.066 0.000 1.701 206 L CB -0.777 41.331 42.059 0.082 0.000 2.706 206 L HN 0.438 nan 8.230 nan 0.000 1.012 207 D N -0.419 120.012 120.400 0.050 0.000 2.788 207 D HA 0.440 5.080 4.640 0.000 0.000 0.289 207 D C 0.864 177.177 176.300 0.021 0.000 1.340 207 D CA 0.347 54.362 54.000 0.025 0.000 0.831 207 D CB 0.593 41.416 40.800 0.037 0.000 1.103 207 D HN 0.606 nan 8.370 nan 0.000 0.476 208 A N 0.536 123.371 122.820 0.024 0.000 1.883 208 A HA -0.173 4.147 4.320 0.000 0.000 0.217 208 A C 1.956 179.555 177.584 0.025 0.000 1.186 208 A CA 1.359 53.438 52.037 0.069 0.000 0.624 208 A CB -0.594 18.518 19.000 0.186 0.000 0.822 208 A HN 0.361 nan 8.150 nan 0.000 0.444 209 L N -0.123 121.071 121.223 -0.049 0.000 2.017 209 L HA -0.115 4.225 4.340 0.000 0.000 0.208 209 L C 2.414 179.264 176.870 -0.033 0.000 1.073 209 L CA 2.037 56.839 54.840 -0.063 0.000 0.745 209 L CB -0.645 41.341 42.059 -0.121 0.000 0.894 209 L HN 0.152 nan 8.230 nan 0.000 0.432 210 V N 0.011 119.909 119.914 -0.026 0.000 2.287 210 V HA -0.348 3.772 4.120 0.000 0.000 0.248 210 V C 2.537 178.639 176.094 0.014 0.000 1.053 210 V CA 2.360 64.656 62.300 -0.005 0.000 1.027 210 V CB -0.497 31.325 31.823 -0.002 0.000 0.646 210 V HN 0.461 nan 8.190 nan 0.000 0.447 211 I N 0.201 120.785 120.570 0.022 0.000 2.163 211 I HA -0.268 3.902 4.170 0.000 0.000 0.243 211 I C 2.654 178.796 176.117 0.041 0.000 1.085 211 I CA 1.592 62.913 61.300 0.035 0.000 1.347 211 I CB -0.621 37.407 38.000 0.046 0.000 1.044 211 I HN 0.303 nan 8.210 nan 0.000 0.408 212 A N 0.129 122.970 122.820 0.035 0.000 1.902 212 A HA -0.262 4.058 4.320 0.000 0.000 0.217 212 A C 2.259 179.873 177.584 0.051 0.000 1.181 212 A CA 1.633 53.690 52.037 0.034 0.000 0.623 212 A CB -0.622 18.375 19.000 -0.003 0.000 0.818 212 A HN 0.487 nan 8.150 nan 0.000 0.443 213 Q N -0.718 119.101 119.800 0.031 0.000 2.079 213 Q HA -0.083 4.257 4.340 0.000 0.000 0.200 213 Q C 2.459 178.514 176.000 0.093 0.000 0.974 213 Q CA 1.305 57.143 55.803 0.057 0.000 0.840 213 Q CB -0.391 28.361 28.738 0.024 0.000 0.898 213 Q HN 0.684 nan 8.270 nan 0.000 0.430 214 A N 0.400 123.261 122.820 0.068 0.000 1.902 214 A HA -0.151 4.169 4.320 0.000 0.000 0.217 214 A C 2.329 179.961 177.584 0.079 0.000 1.181 214 A CA 1.482 53.562 52.037 0.072 0.000 0.623 214 A CB -0.697 18.333 19.000 0.050 0.000 0.818 214 A HN 0.212 nan 8.150 nan 0.000 0.443 215 V N -0.723 119.236 119.914 0.074 0.000 2.323 215 V HA -0.243 3.877 4.120 0.000 0.000 0.244 215 V C 2.443 178.588 176.094 0.084 0.000 1.041 215 V CA 2.405 64.743 62.300 0.064 0.000 1.025 215 V CB -1.034 30.822 31.823 0.053 0.000 0.656 215 V HN 0.839 nan 8.190 nan 0.000 0.451 216 H N 1.114 120.200 119.070 0.027 0.000 2.319 216 H HA -0.150 4.406 4.556 0.000 0.000 0.299 216 H C 2.042 177.393 175.328 0.039 0.000 1.092 216 H CA 2.170 58.236 56.048 0.031 0.000 1.302 216 H CB -0.038 29.745 29.762 0.035 0.000 1.373 216 H HN 0.321 nan 8.280 nan 0.000 0.497 217 N N 0.171 118.931 118.700 0.100 0.000 2.515 217 N HA -0.103 4.637 4.740 0.000 0.000 0.185 217 N C 0.660 176.257 175.510 0.144 0.000 1.109 217 N CA 0.556 53.637 53.050 0.052 0.000 0.903 217 N CB -0.163 38.330 38.487 0.010 0.000 0.969 217 N HN 0.421 nan 8.380 nan 0.000 0.450 218 N N 0.040 118.793 118.700 0.088 0.000 2.251 218 N HA 0.116 4.856 4.740 0.000 0.000 0.217 218 N C 0.505 176.014 175.510 -0.001 0.000 1.124 218 N CA 0.222 53.310 53.050 0.063 0.000 0.843 218 N CB -0.051 38.458 38.487 0.037 0.000 1.024 218 N HN 0.139 nan 8.380 nan 0.000 0.501 219 G N -0.871 107.902 108.800 -0.045 0.000 2.198 219 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 219 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 219 G C 0.487 175.357 174.900 -0.049 0.000 1.025 219 G CA 0.312 45.370 45.100 -0.070 0.000 0.769 219 G HN 0.624 nan 8.290 nan 0.000 0.507 220 G N -1.131 107.647 108.800 -0.037 0.000 2.531 220 G HA2 0.698 4.658 3.960 0.000 0.000 0.281 220 G HA3 0.698 4.658 3.960 0.000 0.000 0.281 220 G C -0.121 174.784 174.900 0.009 0.000 1.382 220 G CA -0.990 44.106 45.100 -0.007 0.000 1.045 220 G HN 0.679 nan 8.290 nan 0.000 0.533 221 I N 0.463 121.050 120.570 0.028 0.000 2.382 221 I HA 0.298 4.468 4.170 0.000 0.000 0.286 221 I C -0.147 176.006 176.117 0.060 0.000 1.002 221 I CA -0.592 60.730 61.300 0.037 0.000 1.135 221 I CB 1.750 39.773 38.000 0.039 0.000 1.288 221 I HN 0.028 nan 8.210 nan 0.000 0.448 226 V N 0.182 120.050 119.914 -0.076 0.000 3.102 226 V HA 0.518 4.638 4.120 0.000 0.000 0.312 226 V C 0.317 176.372 176.094 -0.065 0.000 1.135 226 V CA -0.614 61.632 62.300 -0.091 0.000 1.022 226 V CB 1.912 33.680 31.823 -0.092 0.000 1.056 226 V HN 0.947 nan 8.190 nan 0.000 0.436 227 Q N 1.127 120.888 119.800 -0.065 0.000 2.212 227 Q HA 0.121 4.461 4.340 0.000 0.000 0.199 227 Q C 0.413 176.393 176.000 -0.033 0.000 0.950 227 Q CA 1.719 57.496 55.803 -0.043 0.000 0.863 227 Q CB 0.295 29.010 28.738 -0.039 0.000 0.944 227 Q HN 0.937 nan 8.270 nan 0.000 0.465 231 K N 1.565 121.965 120.400 0.000 0.000 2.485 231 K HA 0.144 4.464 4.320 0.000 0.000 0.277 231 K C 0.365 176.962 176.600 -0.006 0.000 0.990 231 K CA -0.059 56.227 56.287 -0.002 0.000 0.994 231 K CB 0.480 32.975 32.500 -0.007 0.000 0.906 231 K HN 0.881 nan 8.250 nan 0.000 0.488 232 K N 2.822 123.219 120.400 -0.005 0.000 2.530 232 K HA -0.135 4.185 4.320 0.000 0.000 0.280 232 K C -0.066 176.504 176.600 -0.050 0.000 1.004 232 K CA 1.044 57.321 56.287 -0.017 0.000 1.071 232 K CB 0.015 32.509 32.500 -0.010 0.000 0.876 232 K HN 0.805 nan 8.250 nan 0.000 0.487 233 A N 2.518 125.283 122.820 -0.091 0.000 2.872 233 A HA -0.169 4.151 4.320 0.000 0.000 0.273 233 A C 0.817 178.349 177.584 -0.086 0.000 1.442 233 A CA 1.716 53.677 52.037 -0.127 0.000 0.801 233 A CB -2.615 16.306 19.000 -0.132 0.000 1.031 233 A HN 1.005 nan 8.150 nan 0.000 0.582 234 T N -2.640 111.881 114.554 -0.055 0.000 3.054 234 T HA 0.571 4.922 4.350 0.000 0.000 0.255 234 T C 0.488 175.176 174.700 -0.021 0.000 1.035 234 T CA 0.372 62.450 62.100 -0.037 0.000 0.941 234 T CB -0.120 68.736 68.868 -0.021 0.000 1.026 234 T HN 0.563 nan 8.240 nan 0.000 0.533 235 L N 2.110 123.323 121.223 -0.017 0.000 2.375 235 L HA 0.395 4.735 4.340 0.000 0.000 0.271 235 L C 0.684 177.574 176.870 0.032 0.000 1.107 235 L CA -1.215 53.640 54.840 0.024 0.000 0.806 235 L CB 0.564 42.649 42.059 0.043 0.000 1.146 235 L HN 0.278 nan 8.230 nan 0.000 0.447 236 H N 5.070 124.132 119.070 -0.014 0.000 2.975 236 H HA 0.054 4.610 4.556 0.000 0.000 0.303 236 H C -1.721 173.598 175.328 -0.015 0.000 1.023 236 H CA -1.558 54.480 56.048 -0.017 0.000 1.473 236 H CB 1.431 31.186 29.762 -0.012 0.000 1.498 236 H HN 0.359 nan 8.280 nan 0.000 0.549 237 P HA -0.130 nan 4.420 nan 0.000 0.219 237 P C 0.736 178.125 177.300 0.148 0.000 1.146 237 P CA 1.278 64.410 63.100 0.053 0.000 0.808 237 P CB 0.364 32.038 31.700 -0.043 0.000 0.779 238 K N -0.567 120.032 120.400 0.332 0.000 2.486 238 K HA 0.108 4.428 4.320 0.000 0.000 0.194 238 K C 1.744 178.375 176.600 0.051 0.000 1.033 238 K CA 0.540 56.921 56.287 0.156 0.000 1.004 238 K CB -0.039 32.542 32.500 0.134 0.000 0.798 238 K HN 0.078 nan 8.250 nan 0.000 0.495 239 S N 0.472 116.224 115.700 0.087 0.000 2.503 239 S HA 0.056 4.526 4.470 0.000 0.000 0.215 239 S C 0.528 175.169 174.600 0.068 0.000 1.003 239 S CA -0.189 58.036 58.200 0.041 0.000 0.910 239 S CB 0.483 63.710 63.200 0.044 0.000 0.790 239 S HN -0.063 nan 8.310 nan 0.000 0.514 240 V N 3.961 123.924 119.914 0.082 0.000 2.479 240 V HA 0.162 4.282 4.120 0.000 0.000 0.281 240 V C 1.153 177.265 176.094 0.030 0.000 1.031 240 V CA 0.161 62.519 62.300 0.097 0.000 1.038 240 V CB 0.590 32.494 31.823 0.135 0.000 0.981 240 V HN 0.299 nan 8.190 nan 0.000 0.478 241 R N 4.025 124.547 120.500 0.036 0.000 2.225 241 R HA 0.386 4.726 4.340 0.000 0.000 0.194 241 R C 0.103 176.351 176.300 -0.085 0.000 0.957 241 R CA 0.529 56.553 56.100 -0.125 0.000 1.042 241 R CB 0.466 30.532 30.300 -0.391 0.000 1.004 241 R HN 0.546 nan 8.270 nan 0.000 0.509 242 I N 3.805 124.383 120.570 0.015 0.000 2.410 242 I HA 0.263 4.433 4.170 0.000 0.000 0.286 242 I C -2.407 173.572 176.117 -0.230 0.000 1.009 242 I CA -2.482 58.767 61.300 -0.085 0.000 1.111 242 I CB 2.539 40.539 38.000 -0.000 0.000 1.262 242 I HN -0.251 nan 8.210 nan 0.000 0.443 243 P HA 0.084 nan 4.420 nan 0.000 0.275 243 P C 0.888 177.461 177.300 -1.212 0.000 1.227 243 P CA -0.091 62.495 63.100 -0.856 0.000 0.781 243 P CB 1.144 32.271 31.700 -0.956 0.000 0.906 244 G N 2.330 110.017 108.800 -1.855 0.000 2.448 244 G HA2 -0.268 3.692 3.960 0.000 0.000 0.219 244 G HA3 -0.268 3.692 3.960 0.000 0.000 0.219 244 G C 0.985 175.528 174.900 -0.595 0.000 1.127 244 G CA 0.521 44.984 45.100 -1.061 0.000 0.766 244 G HN 0.636 nan 8.290 nan 0.000 0.552 245 Y N -0.312 119.740 120.300 -0.414 0.000 2.616 245 Y HA 0.346 4.896 4.550 0.000 0.000 0.296 245 Y C 1.964 177.687 175.900 -0.296 0.000 1.154 245 Y CA -0.211 57.748 58.100 -0.234 0.000 1.325 245 Y CB -0.411 37.954 38.460 -0.158 0.000 1.007 245 Y HN 0.109 nan 8.280 nan 0.000 0.542 246 L N 0.142 121.096 121.223 -0.449 0.000 2.509 246 L HA 0.138 4.479 4.340 0.000 0.000 0.222 246 L C -0.016 176.779 176.870 -0.126 0.000 1.123 246 L CA -0.121 54.504 54.840 -0.358 0.000 0.856 246 L CB 0.189 42.029 42.059 -0.365 0.000 0.985 246 L HN 0.032 nan 8.230 nan 0.000 0.456 247 V N -0.105 119.730 119.914 -0.132 0.000 2.435 247 V HA 0.160 4.280 4.120 0.000 0.000 0.290 247 V C 0.232 176.312 176.094 -0.023 0.000 1.030 247 V CA -0.452 61.808 62.300 -0.067 0.000 0.881 247 V CB 1.887 33.649 31.823 -0.101 0.000 0.983 247 V HN 0.104 nan 8.190 nan 0.000 0.445 248 D N 3.253 123.650 120.400 -0.004 0.000 2.394 248 D HA 0.297 4.937 4.640 0.000 0.000 0.226 248 D C 0.217 176.482 176.300 -0.058 0.000 0.990 248 D CA 0.988 54.976 54.000 -0.019 0.000 0.902 248 D CB 1.312 42.104 40.800 -0.013 0.000 1.038 248 D HN 0.391 nan 8.370 nan 0.000 0.499 249 I N 1.128 121.668 120.570 -0.050 0.000 2.607 249 I HA 0.214 4.384 4.170 0.000 0.000 0.290 249 I C -0.983 175.112 176.117 -0.036 0.000 1.129 249 I CA -0.820 60.444 61.300 -0.061 0.000 1.042 249 I CB 3.285 41.235 38.000 -0.083 0.000 1.242 249 I HN -0.385 nan 8.210 nan 0.000 0.421 250 V N 6.341 126.233 119.914 -0.037 0.000 2.459 250 V HA 0.480 4.600 4.120 0.000 0.000 0.295 250 V C -0.282 175.792 176.094 -0.034 0.000 1.029 250 V CA -0.701 61.578 62.300 -0.035 0.000 0.874 250 V CB 2.218 34.022 31.823 -0.033 0.000 0.985 250 V HN 0.400 nan 8.190 nan 0.000 0.438 251 V N 5.382 125.271 119.914 -0.042 0.000 2.448 251 V HA 0.433 4.553 4.120 0.000 0.000 0.295 251 V C -0.191 175.878 176.094 -0.043 0.000 1.025 251 V CA -0.640 61.635 62.300 -0.043 0.000 0.859 251 V CB 1.958 33.743 31.823 -0.062 0.000 0.988 251 V HN 0.601 nan 8.190 nan 0.000 0.431 252 V N 3.751 123.645 119.914 -0.032 0.000 2.383 252 V HA 0.367 4.487 4.120 0.000 0.000 0.275 252 V C -0.288 175.789 176.094 -0.028 0.000 1.036 252 V CA -0.264 62.018 62.300 -0.031 0.000 0.889 252 V CB 1.591 33.401 31.823 -0.022 0.000 0.985 252 V HN 0.942 nan 8.190 nan 0.000 0.459 253 D N 7.443 127.825 120.400 -0.030 0.000 2.462 253 D HA 0.378 5.018 4.640 0.000 0.000 0.249 253 D C -1.335 174.953 176.300 -0.019 0.000 1.117 253 D CA -2.106 51.880 54.000 -0.024 0.000 0.900 253 D CB 2.080 42.865 40.800 -0.025 0.000 1.039 253 D HN 0.215 nan 8.370 nan 0.000 0.516 254 P HA -0.072 nan 4.420 nan 0.000 0.220 254 P C 0.262 177.558 177.300 -0.007 0.000 1.148 254 P CA 0.789 63.883 63.100 -0.011 0.000 0.803 254 P CB 0.525 32.220 31.700 -0.008 0.000 0.782 255 D N -0.730 119.667 120.400 -0.004 0.000 2.328 255 D HA 0.003 4.643 4.640 0.000 0.000 0.221 255 D C 0.904 177.208 176.300 0.007 0.000 1.072 255 D CA 0.048 54.050 54.000 0.002 0.000 0.850 255 D CB -0.164 40.638 40.800 0.004 0.000 0.922 255 D HN 0.312 nan 8.370 nan 0.000 0.516 256 Q N 1.697 121.498 119.800 0.001 0.000 2.308 256 Q HA -0.014 4.327 4.340 0.000 0.000 0.313 256 Q C -0.194 175.813 176.000 0.012 0.000 1.075 256 Q CA 0.276 56.081 55.803 0.004 0.000 0.995 256 Q CB 0.449 29.179 28.738 -0.013 0.000 1.107 256 Q HN 0.066 nan 8.270 nan 0.000 0.380 257 S N 2.361 118.078 115.700 0.028 0.000 2.578 257 S HA 0.219 4.689 4.470 0.000 0.000 0.301 257 S C 0.535 175.152 174.600 0.028 0.000 1.091 257 S CA -0.801 57.419 58.200 0.033 0.000 1.032 257 S CB 1.839 65.068 63.200 0.048 0.000 1.064 257 S HN 0.814 nan 8.310 nan 0.000 0.508 258 Q N 0.151 119.965 119.800 0.022 0.000 2.096 258 Q HA 0.039 4.379 4.340 0.000 0.000 0.204 258 Q C -0.029 175.969 176.000 -0.004 0.000 0.982 258 Q CA 1.347 57.157 55.803 0.012 0.000 0.850 258 Q CB -0.365 28.384 28.738 0.018 0.000 0.901 258 Q HN 0.625 nan 8.270 nan 0.000 0.422 259 L N -2.020 119.209 121.223 0.009 0.000 2.277 259 L HA 0.366 4.706 4.340 0.000 0.000 0.254 259 L C -0.497 176.421 176.870 0.079 0.000 1.044 259 L CA -1.332 53.496 54.840 -0.020 0.000 0.842 259 L CB 1.011 43.065 42.059 -0.008 0.000 1.422 259 L HN 0.028 nan 8.230 nan 0.000 0.422 260 Y N -0.055 120.261 120.300 0.025 0.000 2.652 260 Y HA 0.195 4.745 4.550 0.000 0.000 0.344 260 Y C 1.395 177.307 175.900 0.020 0.000 1.254 260 Y CA 0.728 58.841 58.100 0.022 0.000 1.480 260 Y CB 0.556 39.031 38.460 0.025 0.000 1.345 260 Y HN 0.836 nan 8.280 nan 0.000 0.617 261 G N 0.040 108.950 108.800 0.184 0.000 2.229 261 G HA2 -0.121 3.839 3.960 0.000 0.000 0.189 261 G HA3 -0.121 3.839 3.960 0.000 0.000 0.189 261 G C 0.715 175.655 174.900 0.066 0.000 1.000 261 G CA -0.184 44.975 45.100 0.099 0.000 0.663 261 G HN 1.639 nan 8.290 nan 0.000 0.493 262 G N -0.058 108.785 108.800 0.071 0.000 2.198 262 G HA2 0.182 4.142 3.960 0.000 0.000 0.260 262 G HA3 0.182 4.142 3.960 0.000 0.000 0.260 262 G C 0.780 175.704 174.900 0.040 0.000 1.025 262 G CA 1.205 46.334 45.100 0.048 0.000 0.769 262 G HN 2.263 nan 8.290 nan 0.000 0.507 263 A N 0.529 123.376 122.820 0.045 0.000 2.407 263 A HA 0.704 5.024 4.320 0.000 0.000 0.248 263 A C -0.478 177.126 177.584 0.034 0.000 1.082 263 A CA -0.494 51.566 52.037 0.038 0.000 0.785 263 A CB 0.353 19.378 19.000 0.042 0.000 1.020 263 A HN 0.365 nan 8.150 nan 0.000 0.489 264 P HA 0.158 nan 4.420 nan 0.000 0.271 264 P C -0.255 177.062 177.300 0.028 0.000 1.233 264 P CA -0.347 62.767 63.100 0.024 0.000 0.789 264 P CB 0.228 31.939 31.700 0.018 0.000 0.951 265 V N 2.462 122.390 119.914 0.023 0.000 2.557 265 V HA -0.064 4.056 4.120 0.000 0.000 0.301 265 V C 1.101 177.214 176.094 0.032 0.000 1.026 265 V CA 0.452 62.768 62.300 0.025 0.000 1.137 265 V CB -0.756 31.078 31.823 0.018 0.000 0.917 265 V HN 0.614 nan 8.190 nan 0.000 0.484 266 N N 5.369 124.099 118.700 0.051 0.000 2.444 266 N HA 0.241 4.981 4.740 0.000 0.000 0.262 266 N C 0.909 176.460 175.510 0.069 0.000 0.974 266 N CA -0.628 52.470 53.050 0.081 0.000 0.933 266 N CB 1.187 39.750 38.487 0.126 0.000 1.137 266 N HN 0.450 nan 8.380 nan 0.000 0.498 267 R N 2.870 123.369 120.500 -0.001 0.000 2.236 267 R HA 0.013 4.353 4.340 0.000 0.000 0.208 267 R C 1.005 177.320 176.300 0.025 0.000 1.036 267 R CA 0.511 56.623 56.100 0.020 0.000 1.001 267 R CB -0.293 30.076 30.300 0.115 0.000 0.896 267 R HN 0.530 nan 8.270 nan 0.000 0.464 268 F N 1.014 121.056 119.950 0.154 0.000 2.113 268 F HA -0.083 4.444 4.527 0.000 0.000 0.297 268 F C 2.360 178.196 175.800 0.060 0.000 1.103 268 F CA 0.896 58.966 58.000 0.117 0.000 1.248 268 F CB -0.659 38.384 39.000 0.071 0.000 0.999 268 F HN -0.135 nan 8.300 nan 0.000 0.475 269 I N -0.685 120.021 120.570 0.227 0.000 2.264 269 I HA -0.297 3.873 4.170 0.000 0.000 0.248 269 I C 2.270 178.424 176.117 0.062 0.000 1.111 269 I CA 1.281 62.649 61.300 0.113 0.000 1.382 269 I CB -0.631 37.421 38.000 0.087 0.000 1.060 269 I HN 0.051 nan 8.210 nan 0.000 0.418 270 S N 0.202 115.936 115.700 0.057 0.000 2.419 270 S HA -0.055 4.415 4.470 0.000 0.000 0.233 270 S C 1.678 176.278 174.600 -0.001 0.000 1.016 270 S CA 1.139 59.352 58.200 0.022 0.000 0.974 270 S CB -0.128 63.084 63.200 0.019 0.000 0.786 270 S HN 0.753 nan 8.310 nan 0.000 0.492 271 G N 1.022 109.832 108.800 0.016 0.000 2.159 271 G HA2 -0.184 3.776 3.960 0.000 0.000 0.227 271 G HA3 -0.184 3.776 3.960 0.000 0.000 0.227 271 G C 0.251 175.109 174.900 -0.070 0.000 0.986 271 G CA 0.306 45.401 45.100 -0.009 0.000 0.651 271 G HN 0.451 nan 8.290 nan 0.000 0.523 272 D N -0.603 119.720 120.400 -0.128 0.000 2.333 272 D HA 0.272 4.913 4.640 0.000 0.000 0.208 272 D C 0.574 176.431 176.300 -0.739 0.000 0.984 272 D CA 0.795 54.546 54.000 -0.416 0.000 0.873 272 D CB 0.221 40.728 40.800 -0.488 0.000 0.935 272 D HN 0.415 nan 8.370 nan 0.000 0.521 273 F N -0.487 119.407 119.950 -0.092 0.000 2.613 273 F HA 0.321 4.848 4.527 0.000 0.000 0.314 273 F C 0.187 176.083 175.800 0.159 0.000 1.075 273 F CA -0.945 57.017 58.000 -0.063 0.000 0.945 273 F CB 1.760 40.557 39.000 -0.340 0.000 1.310 273 F HN -0.523 nan 8.300 nan 0.000 0.467 274 T N 3.029 117.825 114.554 0.404 0.000 2.749 274 T HA 0.403 4.753 4.350 0.000 0.000 0.287 274 T C -0.563 174.359 174.700 0.369 0.000 0.970 274 T CA -0.386 61.902 62.100 0.314 0.000 0.980 274 T CB 0.781 69.746 68.868 0.163 0.000 0.924 274 T HN 0.396 nan 8.240 nan 0.000 0.456 275 L N 4.001 125.344 121.223 0.199 0.000 2.453 275 L HA 0.227 4.567 4.340 0.000 0.000 0.272 275 L C 0.670 177.501 176.870 -0.064 0.000 1.182 275 L CA 0.049 54.792 54.840 -0.161 0.000 0.858 275 L CB 0.369 42.184 42.059 -0.405 0.000 1.120 275 L HN 0.536 nan 8.230 nan 0.000 0.474 284 P HA 0.113 nan 4.420 nan 0.000 0.268 284 P C -0.375 176.911 177.300 -0.023 0.000 1.205 284 P CA -0.219 62.872 63.100 -0.015 0.000 0.771 284 P CB 0.904 32.597 31.700 -0.011 0.000 0.858 285 L N 3.790 125.000 121.223 -0.020 0.000 2.395 285 L HA 0.109 4.449 4.340 0.000 0.000 0.268 285 L C 0.298 177.154 176.870 -0.025 0.000 1.223 285 L CA -0.163 54.658 54.840 -0.032 0.000 1.093 285 L CB -0.830 41.216 42.059 -0.023 0.000 1.349 285 L HN 0.528 nan 8.230 nan 0.000 0.427 286 N N 0.978 119.658 118.700 -0.033 0.000 2.813 286 N HA 0.114 4.854 4.740 0.000 0.000 0.320 286 N C 0.465 175.953 175.510 -0.037 0.000 1.315 286 N CA -0.772 52.264 53.050 -0.023 0.000 0.871 286 N CB 0.352 38.828 38.487 -0.018 0.000 1.241 286 N HN 0.266 nan 8.380 nan 0.000 0.602 287 Q N -0.461 119.326 119.800 -0.022 0.000 2.096 287 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 287 Q C 1.605 177.576 176.000 -0.048 0.000 0.982 287 Q CA 1.590 57.378 55.803 -0.024 0.000 0.850 287 Q CB 0.015 28.750 28.738 -0.004 0.000 0.901 287 Q HN 0.500 nan 8.270 nan 0.000 0.422 288 R N 0.069 120.541 120.500 -0.047 0.000 2.081 288 R HA -0.131 4.209 4.340 0.000 0.000 0.235 288 R C 2.400 178.648 176.300 -0.086 0.000 1.131 288 R CA 1.539 57.604 56.100 -0.058 0.000 0.960 288 R CB -0.184 30.089 30.300 -0.046 0.000 0.856 288 R HN 0.142 nan 8.270 nan 0.000 0.436 289 K N 1.033 121.380 120.400 -0.088 0.000 2.148 289 K HA -0.091 4.229 4.320 0.000 0.000 0.204 289 K C 2.100 178.599 176.600 -0.169 0.000 1.050 289 K CA 0.781 57.000 56.287 -0.114 0.000 0.942 289 K CB -0.031 32.414 32.500 -0.092 0.000 0.724 289 K HN 0.143 nan 8.250 nan 0.000 0.446 290 L N 0.824 121.939 121.223 -0.180 0.000 1.989 290 L HA -0.200 4.140 4.340 0.000 0.000 0.211 290 L C 2.124 178.832 176.870 -0.270 0.000 1.071 290 L CA 1.498 56.175 54.840 -0.272 0.000 0.749 290 L CB -0.279 41.634 42.059 -0.243 0.000 0.890 290 L HN 0.077 nan 8.230 nan 0.000 0.431 291 V N 0.107 119.916 119.914 -0.175 0.000 2.358 291 V HA -0.254 3.866 4.120 0.000 0.000 0.246 291 V C 2.801 178.786 176.094 -0.182 0.000 1.047 291 V CA 1.577 63.793 62.300 -0.139 0.000 1.035 291 V CB -0.966 30.822 31.823 -0.058 0.000 0.658 291 V HN 0.579 nan 8.190 nan 0.000 0.452 292 A N -0.009 122.698 122.820 -0.188 0.000 1.902 292 A HA -0.241 4.079 4.320 0.000 0.000 0.217 292 A C 2.383 179.795 177.584 -0.286 0.000 1.181 292 A CA 1.909 53.811 52.037 -0.224 0.000 0.623 292 A CB -0.499 18.393 19.000 -0.179 0.000 0.818 292 A HN 0.501 nan 8.150 nan 0.000 0.443 293 R N -1.304 119.007 120.500 -0.314 0.000 2.073 293 R HA -0.145 4.195 4.340 0.000 0.000 0.234 293 R C 2.463 178.364 176.300 -0.666 0.000 1.134 293 R CA 1.673 57.519 56.100 -0.424 0.000 0.952 293 R CB -0.255 29.797 30.300 -0.414 0.000 0.850 293 R HN 0.414 nan 8.270 nan 0.000 0.433 294 R N 0.961 121.080 120.500 -0.636 0.000 2.115 294 R HA 0.006 4.346 4.340 0.000 0.000 0.230 294 R C 1.899 177.975 176.300 -0.372 0.000 1.111 294 R CA 1.637 57.308 56.100 -0.715 0.000 0.976 294 R CB -0.617 29.420 30.300 -0.439 0.000 0.870 294 R HN 0.237 nan 8.270 nan 0.000 0.445 295 A N 0.539 123.215 122.820 -0.240 0.000 1.933 295 A HA -0.132 4.188 4.320 0.000 0.000 0.218 295 A C 2.017 179.547 177.584 -0.091 0.000 1.175 295 A CA 1.483 53.468 52.037 -0.087 0.000 0.628 295 A CB -0.703 18.152 19.000 -0.241 0.000 0.814 295 A HN 0.358 nan 8.150 nan 0.000 0.444 296 L N -1.382 119.691 121.223 -0.250 0.000 2.131 296 L HA -0.083 4.257 4.340 0.000 0.000 0.210 296 L C 1.919 178.760 176.870 -0.049 0.000 1.092 296 L CA 1.594 56.308 54.840 -0.210 0.000 0.759 296 L CB -0.761 41.123 42.059 -0.291 0.000 0.903 296 L HN 0.347 nan 8.230 nan 0.000 0.435 297 F N 0.002 119.745 119.950 -0.344 0.000 2.307 297 F HA -0.120 4.408 4.527 0.000 0.000 0.301 297 F C 1.747 177.578 175.800 0.051 0.000 1.076 297 F CA 0.268 58.177 58.000 -0.152 0.000 1.383 297 F CB -0.816 38.119 39.000 -0.108 0.000 1.055 297 F HN 0.185 nan 8.300 nan 0.000 0.526 301 K N 0.429 120.878 120.400 0.082 0.000 2.448 301 K HA 0.226 4.547 4.320 0.000 0.000 0.278 301 K C 1.023 177.682 176.600 0.098 0.000 1.009 301 K CA 1.623 57.974 56.287 0.108 0.000 0.995 301 K CB 0.263 32.798 32.500 0.059 0.000 0.917 301 K HN 0.854 nan 8.250 nan 0.000 0.481 302 G N 1.138 110.014 108.800 0.126 0.000 2.199 302 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 302 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 302 G C 0.230 175.201 174.900 0.119 0.000 0.982 302 G CA 0.104 45.265 45.100 0.102 0.000 0.632 302 G HN 0.849 nan 8.290 nan 0.000 0.529 303 A N -0.159 122.746 122.820 0.142 0.000 2.462 303 A HA 0.626 4.946 4.320 0.000 0.000 0.243 303 A C 0.476 178.160 177.584 0.166 0.000 1.076 303 A CA 0.524 52.630 52.037 0.116 0.000 0.773 303 A CB 0.902 19.938 19.000 0.060 0.000 1.010 303 A HN 1.164 nan 8.150 nan 0.000 0.493 304 V N 2.550 122.546 119.914 0.136 0.000 2.350 304 V HA 0.624 4.744 4.120 0.000 0.000 0.276 304 V C 0.867 177.029 176.094 0.114 0.000 1.028 304 V CA 0.300 62.703 62.300 0.172 0.000 0.860 304 V CB 0.948 32.916 31.823 0.242 0.000 0.990 304 V HN 1.175 nan 8.190 nan 0.000 0.453 305 G N 3.249 112.132 108.800 0.138 0.000 2.685 305 G HA2 0.567 4.527 3.960 0.000 0.000 0.298 305 G HA3 0.567 4.527 3.960 0.000 0.000 0.298 305 G C -1.249 173.693 174.900 0.071 0.000 1.277 305 G CA -0.641 44.501 45.100 0.070 0.000 0.986 305 G HN 0.572 nan 8.290 nan 0.000 0.487 306 N N -0.565 118.143 118.700 0.013 0.000 2.336 306 N HA 0.420 5.160 4.740 0.000 0.000 0.290 306 N C -1.679 173.896 175.510 0.107 0.000 1.058 306 N CA -0.310 52.757 53.050 0.027 0.000 0.865 306 N CB 2.514 40.921 38.487 -0.133 0.000 1.581 306 N HN 0.217 nan 8.380 nan 0.000 0.480 307 V N 1.886 121.878 119.914 0.130 0.000 2.409 307 V HA 0.586 4.706 4.120 0.000 0.000 0.291 307 V C 1.165 177.312 176.094 0.090 0.000 1.020 307 V CA -0.763 61.619 62.300 0.137 0.000 0.848 307 V CB 1.079 32.942 31.823 0.068 0.000 0.990 307 V HN 0.715 nan 8.190 nan 0.000 0.430 308 G N 3.044 111.902 108.800 0.096 0.000 2.562 308 G HA2 0.481 4.441 3.960 0.000 0.000 0.275 308 G HA3 0.481 4.441 3.960 0.000 0.000 0.275 308 G C -0.243 174.701 174.900 0.074 0.000 1.196 308 G CA -0.541 44.615 45.100 0.093 0.000 0.908 308 G HN 0.565 nan 8.290 nan 0.000 0.524 309 V N 0.774 120.729 119.914 0.069 0.000 2.585 309 V HA 0.567 4.688 4.120 0.000 0.000 0.296 309 V C 1.118 177.235 176.094 0.040 0.000 1.035 309 V CA 1.432 63.761 62.300 0.049 0.000 1.084 309 V CB 0.052 31.906 31.823 0.052 0.000 0.953 309 V HN 1.509 nan 8.190 nan 0.000 0.483 310 G N 3.210 112.019 108.800 0.015 0.000 2.350 310 G HA2 0.045 4.005 3.960 0.000 0.000 0.276 310 G HA3 0.045 4.005 3.960 0.000 0.000 0.276 310 G C 0.208 175.094 174.900 -0.023 0.000 1.313 310 G CA -0.235 44.859 45.100 -0.009 0.000 0.903 310 G HN 0.663 nan 8.290 nan 0.000 0.490 311 I N 0.698 121.243 120.570 -0.042 0.000 2.423 311 I HA 0.041 4.211 4.170 0.000 0.000 0.254 311 I C 2.386 178.472 176.117 -0.051 0.000 1.151 311 I CA 2.510 63.782 61.300 -0.047 0.000 1.421 311 I CB -0.017 37.949 38.000 -0.058 0.000 1.079 311 I HN 0.677 nan 8.210 nan 0.000 0.431 312 A N 0.161 122.954 122.820 -0.046 0.000 2.308 312 A HA -0.025 4.295 4.320 0.000 0.000 0.217 312 A C 1.436 178.956 177.584 -0.107 0.000 1.216 312 A CA 0.595 52.578 52.037 -0.090 0.000 0.864 312 A CB -0.485 18.463 19.000 -0.087 0.000 0.902 312 A HN 0.629 nan 8.150 nan 0.000 0.499 313 D N -0.695 119.671 120.400 -0.057 0.000 2.378 313 D HA 0.035 4.676 4.640 0.000 0.000 0.227 313 D C 1.178 177.450 176.300 -0.047 0.000 1.012 313 D CA 0.940 54.915 54.000 -0.042 0.000 0.905 313 D CB -0.539 40.257 40.800 -0.007 0.000 0.895 313 D HN 0.207 nan 8.370 nan 0.000 0.532 314 G N 0.212 108.973 108.800 -0.065 0.000 3.284 314 G HA2 0.061 4.021 3.960 0.000 0.000 0.236 314 G HA3 0.061 4.021 3.960 0.000 0.000 0.236 314 G C 1.185 176.039 174.900 -0.077 0.000 1.158 314 G CA -0.262 44.803 45.100 -0.058 0.000 0.774 314 G HN 0.364 nan 8.290 nan 0.000 0.545 315 I N 0.707 121.205 120.570 -0.120 0.000 2.335 315 I HA -0.079 4.091 4.170 0.000 0.000 0.251 315 I C 2.603 178.702 176.117 -0.030 0.000 1.129 315 I CA 1.476 62.685 61.300 -0.152 0.000 1.402 315 I CB 0.030 37.825 38.000 -0.342 0.000 1.069 315 I HN 0.185 nan 8.210 nan 0.000 0.424 316 G N 0.941 109.750 108.800 0.015 0.000 2.440 316 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 316 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 316 G C 1.608 176.531 174.900 0.039 0.000 1.154 316 G CA 0.927 46.070 45.100 0.072 0.000 0.767 316 G HN 0.431 nan 8.290 nan 0.000 0.552 317 L N 0.132 121.358 121.223 0.005 0.000 2.093 317 L HA -0.044 4.297 4.340 0.000 0.000 0.208 317 L C 2.966 179.837 176.870 0.001 0.000 1.085 317 L CA 0.265 55.103 54.840 -0.004 0.000 0.755 317 L CB -0.370 41.679 42.059 -0.017 0.000 0.904 317 L HN 0.089 nan 8.230 nan 0.000 0.435 318 V N 0.075 119.983 119.914 -0.009 0.000 2.358 318 V HA -0.257 3.863 4.120 0.000 0.000 0.246 318 V C 2.761 178.880 176.094 0.041 0.000 1.047 318 V CA 1.723 64.015 62.300 -0.012 0.000 1.035 318 V CB -0.820 30.963 31.823 -0.066 0.000 0.658 318 V HN 0.466 nan 8.190 nan 0.000 0.452 319 A N 0.116 122.991 122.820 0.091 0.000 1.902 319 A HA -0.253 4.068 4.320 0.000 0.000 0.217 319 A C 2.434 180.092 177.584 0.123 0.000 1.181 319 A CA 1.919 54.071 52.037 0.193 0.000 0.623 319 A CB -0.586 18.649 19.000 0.391 0.000 0.818 319 A HN 0.404 nan 8.150 nan 0.000 0.443 320 R N 0.151 120.688 120.500 0.061 0.000 2.081 320 R HA -0.178 4.162 4.340 0.000 0.000 0.235 320 R C 2.091 178.409 176.300 0.031 0.000 1.131 320 R CA 2.016 58.130 56.100 0.024 0.000 0.960 320 R CB -0.459 29.841 30.300 0.000 0.000 0.856 320 R HN 0.760 nan 8.270 nan 0.000 0.436 321 E N 0.075 120.295 120.200 0.034 0.000 2.110 321 E HA -0.164 4.186 4.350 0.000 0.000 0.193 321 E C 1.225 177.859 176.600 0.055 0.000 0.988 321 E CA 1.075 57.494 56.400 0.032 0.000 0.804 321 E CB 0.143 29.855 29.700 0.020 0.000 0.745 321 E HN 0.270 nan 8.360 nan 0.000 0.458 322 E N -0.539 119.715 120.200 0.089 0.000 2.427 322 E HA -0.000 4.350 4.350 0.000 0.000 0.196 322 E C 1.016 177.687 176.600 0.118 0.000 1.028 322 E CA 0.793 57.274 56.400 0.134 0.000 0.864 322 E CB 0.501 30.338 29.700 0.229 0.000 0.813 322 E HN 0.458 nan 8.360 nan 0.000 0.514 323 G N 1.638 110.490 108.800 0.086 0.000 2.182 323 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 323 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 323 G C 0.790 175.727 174.900 0.061 0.000 1.042 323 G CA 0.389 45.522 45.100 0.055 0.000 0.775 323 G HN 0.410 nan 8.290 nan 0.000 0.501 324 C N -2.594 116.768 119.300 0.103 0.000 3.386 324 C HA 0.796 5.256 4.460 0.000 0.000 0.279 324 C C 2.482 177.501 174.990 0.048 0.000 1.508 324 C CA 0.459 59.552 59.018 0.125 0.000 1.801 324 C CB -0.063 27.821 27.740 0.240 0.000 2.798 324 C HN 1.419 nan 8.230 nan 0.000 0.605 325 A N 1.677 124.458 122.820 -0.064 0.000 1.978 325 A HA -0.135 4.185 4.320 0.000 0.000 0.220 325 A C 1.704 178.976 177.584 -0.519 0.000 1.170 325 A CA 2.231 54.066 52.037 -0.337 0.000 0.636 325 A CB -0.466 18.430 19.000 -0.173 0.000 0.810 325 A HN 0.645 nan 8.150 nan 0.000 0.448 326 D N -0.182 120.060 120.400 -0.263 0.000 2.349 326 D HA -0.017 4.623 4.640 0.000 0.000 0.224 326 D C 0.344 176.542 176.300 -0.170 0.000 1.029 326 D CA 0.451 54.325 54.000 -0.208 0.000 0.879 326 D CB -0.083 40.652 40.800 -0.108 0.000 0.906 326 D HN 0.357 nan 8.370 nan 0.000 0.528 327 D N -0.250 120.058 120.400 -0.152 0.000 2.348 327 D HA 0.051 4.691 4.640 0.000 0.000 0.211 327 D C 0.614 176.994 176.300 0.133 0.000 0.998 327 D CA 0.263 54.279 54.000 0.028 0.000 0.873 327 D CB 0.362 41.247 40.800 0.142 0.000 0.925 327 D HN 0.303 nan 8.370 nan 0.000 0.524 328 F N -1.061 118.913 119.950 0.042 0.000 2.726 328 F HA 0.642 5.169 4.527 0.000 0.000 0.324 328 F C -1.277 174.549 175.800 0.043 0.000 1.140 328 F CA -1.734 56.295 58.000 0.049 0.000 0.964 328 F CB 1.129 40.171 39.000 0.071 0.000 1.399 328 F HN -0.320 nan 8.300 nan 0.000 0.491 329 I N 1.878 122.613 120.570 0.276 0.000 2.534 329 I HA 0.554 4.724 4.170 0.000 0.000 0.288 329 I C -1.726 174.541 176.117 0.250 0.000 1.077 329 I CA -0.902 60.483 61.300 0.141 0.000 1.051 329 I CB 1.864 39.908 38.000 0.072 0.000 1.234 329 I HN 0.641 nan 8.210 nan 0.000 0.425 330 L N 6.740 128.084 121.223 0.202 0.000 2.309 330 L HA 0.673 5.013 4.340 0.000 0.000 0.282 330 L C 0.075 177.023 176.870 0.130 0.000 1.036 330 L CA -0.558 54.402 54.840 0.200 0.000 0.806 330 L CB 1.738 43.924 42.059 0.212 0.000 1.220 330 L HN 0.678 nan 8.230 nan 0.000 0.429 331 T N -0.207 114.437 114.554 0.150 0.000 2.932 331 T HA 0.779 5.129 4.350 0.000 0.000 0.289 331 T C -0.438 174.356 174.700 0.157 0.000 1.039 331 T CA -0.769 61.417 62.100 0.143 0.000 1.024 331 T CB 2.134 71.132 68.868 0.217 0.000 1.090 331 T HN 0.195 nan 8.240 nan 0.000 0.496 332 V N 2.686 122.657 119.914 0.095 0.000 2.604 332 V HA 0.368 4.489 4.120 0.000 0.000 0.305 332 V C 1.528 177.608 176.094 -0.024 0.000 1.043 332 V CA -0.885 61.455 62.300 0.066 0.000 0.888 332 V CB 1.712 33.547 31.823 0.020 0.000 0.995 332 V HN 1.089 nan 8.190 nan 0.000 0.429 333 E N 2.220 122.398 120.200 -0.036 0.000 2.265 333 E HA -0.197 4.153 4.350 0.000 0.000 0.196 333 E C 1.486 177.807 176.600 -0.467 0.000 0.996 333 E CA 1.782 57.934 56.400 -0.414 0.000 0.832 333 E CB -0.437 29.083 29.700 -0.299 0.000 0.756 333 E HN 0.855 nan 8.360 nan 0.000 0.491 334 T N -3.236 111.222 114.554 -0.159 0.000 3.118 334 T HA 0.339 4.689 4.350 0.000 0.000 0.260 334 T C 1.482 176.119 174.700 -0.105 0.000 1.139 334 T CA 0.812 62.868 62.100 -0.072 0.000 1.085 334 T CB 0.299 69.165 68.868 -0.004 0.000 0.934 334 T HN 0.416 nan 8.240 nan 0.000 0.518 335 G N 0.942 109.648 108.800 -0.156 0.000 2.905 335 G HA2 -0.051 3.909 3.960 0.000 0.000 0.196 335 G HA3 -0.051 3.909 3.960 0.000 0.000 0.196 335 G C -2.660 172.166 174.900 -0.125 0.000 1.044 335 G CA -0.643 44.371 45.100 -0.143 0.000 0.778 335 G HN 0.506 nan 8.290 nan 0.000 0.474 336 P HA 0.493 nan 4.420 nan 0.000 0.268 336 P C -0.244 177.022 177.300 -0.056 0.000 1.204 336 P CA 0.431 63.479 63.100 -0.087 0.000 0.768 336 P CB 0.797 32.456 31.700 -0.069 0.000 0.842 337 I N 2.580 123.117 120.570 -0.055 0.000 2.382 337 I HA 0.554 4.724 4.170 0.000 0.000 0.286 337 I C 0.847 176.949 176.117 -0.025 0.000 1.002 337 I CA -0.029 61.250 61.300 -0.034 0.000 1.135 337 I CB 1.113 39.078 38.000 -0.058 0.000 1.288 337 I HN 0.596 nan 8.210 nan 0.000 0.448 338 G N 4.044 112.841 108.800 -0.006 0.000 2.725 338 G HA2 0.332 4.292 3.960 0.000 0.000 0.220 338 G HA3 0.332 4.292 3.960 0.000 0.000 0.220 338 G C -0.081 174.808 174.900 -0.018 0.000 1.357 338 G CA -0.270 44.821 45.100 -0.015 0.000 0.866 338 G HN 1.614 nan 8.290 nan 0.000 0.548 339 G N -1.981 106.802 108.800 -0.027 0.000 2.479 339 G HA2 0.568 4.528 3.960 0.000 0.000 0.686 339 G HA3 0.568 4.528 3.960 0.000 0.000 0.686 339 G C -0.370 174.515 174.900 -0.025 0.000 1.295 339 G CA 0.170 45.257 45.100 -0.022 0.000 0.922 339 G HN 2.501 nan 8.290 nan 0.000 0.582 340 I N -3.255 117.301 120.570 -0.024 0.000 2.969 340 I HA 0.847 5.018 4.170 0.000 0.000 0.307 340 I C -0.075 176.026 176.117 -0.026 0.000 1.149 340 I CA -1.166 60.117 61.300 -0.029 0.000 1.008 340 I CB 2.392 40.367 38.000 -0.041 0.000 1.232 340 I HN 0.521 nan 8.210 nan 0.000 0.435 341 T N 2.777 117.316 114.554 -0.025 0.000 2.738 341 T HA 0.245 4.595 4.350 0.000 0.000 0.298 341 T C 0.234 174.911 174.700 -0.039 0.000 0.962 341 T CA -0.172 61.913 62.100 -0.025 0.000 0.972 341 T CB 0.888 69.746 68.868 -0.017 0.000 0.928 341 T HN 0.720 nan 8.240 nan 0.000 0.474 349 A N 0.017 122.842 122.820 0.008 0.000 2.589 349 A HA 0.775 5.095 4.320 0.000 0.000 0.296 349 A C -0.579 177.009 177.584 0.007 0.000 1.062 349 A CA -0.820 51.220 52.037 0.005 0.000 0.686 349 A CB 1.048 20.052 19.000 0.006 0.000 1.282 349 A HN 0.237 nan 8.150 nan 0.000 0.404 350 N N -0.593 118.108 118.700 0.002 0.000 2.445 350 N HA 0.572 5.312 4.740 0.000 0.000 0.264 350 N C 0.015 175.533 175.510 0.013 0.000 1.227 350 N CA -0.295 52.756 53.050 0.001 0.000 0.963 350 N CB 1.528 40.013 38.487 -0.004 0.000 1.188 350 N HN 0.726 nan 8.380 nan 0.000 0.491 351 V N -1.359 118.562 119.914 0.012 0.000 3.158 351 V HA 0.530 4.650 4.120 0.000 0.000 0.315 351 V C -0.037 176.073 176.094 0.026 0.000 1.148 351 V CA -1.012 61.313 62.300 0.042 0.000 1.042 351 V CB 1.684 33.540 31.823 0.054 0.000 1.101 351 V HN 0.775 nan 8.190 nan 0.000 0.448 352 N N 0.218 118.951 118.700 0.055 0.000 2.735 352 N HA -0.157 4.584 4.740 0.000 0.000 0.248 352 N C 0.365 175.877 175.510 0.004 0.000 1.083 352 N CA 1.366 54.436 53.050 0.033 0.000 0.703 352 N CB -2.005 36.491 38.487 0.014 0.000 1.005 352 N HN 1.416 nan 8.380 nan 0.000 0.550 353 T N -2.870 111.684 114.554 -0.001 0.000 2.855 353 T HA 0.245 4.595 4.350 0.000 0.000 0.314 353 T C 1.424 176.108 174.700 -0.027 0.000 1.077 353 T CA -0.187 61.900 62.100 -0.021 0.000 1.095 353 T CB 1.392 70.239 68.868 -0.035 0.000 0.987 353 T HN 0.063 nan 8.240 nan 0.000 0.546 354 R N 0.945 121.424 120.500 -0.035 0.000 2.237 354 R HA 0.517 4.857 4.340 0.000 0.000 0.195 354 R C 0.682 176.956 176.300 -0.043 0.000 0.956 354 R CA 0.611 56.689 56.100 -0.037 0.000 1.029 354 R CB -0.392 29.885 30.300 -0.038 0.000 0.972 354 R HN 0.902 nan 8.270 nan 0.000 0.493 355 A N 0.490 123.280 122.820 -0.050 0.000 2.597 355 A HA 0.624 4.944 4.320 0.000 0.000 0.292 355 A C -1.519 176.022 177.584 -0.071 0.000 1.057 355 A CA -0.679 51.326 52.037 -0.054 0.000 0.674 355 A CB 1.030 19.996 19.000 -0.058 0.000 1.278 355 A HN 0.065 nan 8.150 nan 0.000 0.416 356 I N 1.825 122.353 120.570 -0.069 0.000 2.468 356 I HA 0.361 4.532 4.170 0.000 0.000 0.284 356 I C -0.658 175.458 176.117 -0.001 0.000 1.038 356 I CA -0.250 60.977 61.300 -0.120 0.000 1.083 356 I CB 1.463 39.268 38.000 -0.326 0.000 1.223 356 I HN 0.508 nan 8.210 nan 0.000 0.443 357 L N 4.923 126.130 121.223 -0.027 0.000 2.375 357 L HA 0.405 4.745 4.340 0.000 0.000 0.268 357 L C 0.496 177.405 176.870 0.065 0.000 1.058 357 L CA -0.785 54.062 54.840 0.012 0.000 0.803 357 L CB 1.039 43.047 42.059 -0.084 0.000 1.212 357 L HN 0.644 nan 8.230 nan 0.000 0.451 361 S N 1.747 117.429 115.700 -0.030 0.000 2.382 361 S HA -0.144 4.326 4.470 0.000 0.000 0.228 361 S C 1.984 176.528 174.600 -0.092 0.000 1.027 361 S CA 1.756 59.925 58.200 -0.050 0.000 0.991 361 S CB -0.251 62.913 63.200 -0.059 0.000 0.823 361 S HN 0.422 nan 8.310 nan 0.000 0.469 362 Q N 0.654 120.337 119.800 -0.194 0.000 2.084 362 Q HA 0.001 4.341 4.340 0.000 0.000 0.202 362 Q C 1.599 177.255 176.000 -0.574 0.000 0.978 362 Q CA 1.630 57.188 55.803 -0.409 0.000 0.844 362 Q CB -0.427 27.964 28.738 -0.579 0.000 0.898 362 Q HN 0.590 nan 8.270 nan 0.000 0.426 363 F N 0.360 120.077 119.950 -0.388 0.000 2.186 363 F HA -0.155 4.372 4.527 0.000 0.000 0.299 363 F C 1.854 177.387 175.800 -0.445 0.000 1.090 363 F CA 0.958 58.689 58.000 -0.449 0.000 1.307 363 F CB -0.054 38.690 39.000 -0.428 0.000 1.019 363 F HN 0.143 nan 8.300 nan 0.000 0.489 364 D N 0.134 120.479 120.400 -0.092 0.000 2.116 364 D HA -0.253 4.387 4.640 0.000 0.000 0.193 364 D C 2.009 178.371 176.300 0.104 0.000 0.998 364 D CA 1.409 55.401 54.000 -0.013 0.000 0.836 364 D CB -0.785 40.032 40.800 0.028 0.000 0.951 364 D HN 0.224 nan 8.370 nan 0.000 0.449 365 F N 0.765 120.694 119.950 -0.035 0.000 2.095 365 F HA -0.237 4.290 4.527 0.000 0.000 0.298 365 F C 2.326 178.254 175.800 0.212 0.000 1.104 365 F CA 1.457 59.489 58.000 0.053 0.000 1.232 365 F CB -0.755 38.249 39.000 0.006 0.000 0.987 365 F HN 0.060 nan 8.300 nan 0.000 0.475 366 Y N -0.639 119.618 120.300 -0.072 0.000 2.145 366 Y HA -0.315 4.235 4.550 0.000 0.000 0.286 366 Y C 2.764 178.691 175.900 0.045 0.000 1.145 366 Y CA 1.360 59.402 58.100 -0.097 0.000 1.148 366 Y CB -0.821 37.673 38.460 0.056 0.000 0.981 366 Y HN 0.201 nan 8.280 nan 0.000 0.507 367 H N -1.414 117.765 119.070 0.182 0.000 2.421 367 H HA -0.110 4.446 4.556 0.000 0.000 0.298 367 H C 2.145 177.495 175.328 0.036 0.000 1.087 367 H CA 0.350 56.462 56.048 0.107 0.000 1.330 367 H CB -0.188 29.642 29.762 0.113 0.000 1.388 367 H HN 0.333 nan 8.280 nan 0.000 0.526 368 G N -0.553 108.323 108.800 0.127 0.000 3.262 368 G HA2 0.240 4.200 3.960 0.000 0.000 0.228 368 G HA3 0.240 4.200 3.960 0.000 0.000 0.228 368 G C 0.981 175.850 174.900 -0.052 0.000 1.197 368 G CA 0.310 45.434 45.100 0.040 0.000 0.819 368 G HN 0.552 nan 8.290 nan 0.000 0.531 369 G N -0.817 107.925 108.800 -0.097 0.000 2.160 369 G HA2 -0.126 3.834 3.960 0.000 0.000 0.244 369 G HA3 -0.126 3.834 3.960 0.000 0.000 0.244 369 G C 1.252 175.979 174.900 -0.290 0.000 1.022 369 G CA 0.357 45.364 45.100 -0.155 0.000 0.741 369 G HN 0.959 nan 8.290 nan 0.000 0.508 370 G N -0.395 108.052 108.800 -0.588 0.000 2.432 370 G HA2 0.136 4.097 3.960 0.000 0.000 0.219 370 G HA3 0.136 4.097 3.960 0.000 0.000 0.219 370 G C 0.948 175.494 174.900 -0.589 0.000 1.135 370 G CA 0.685 45.124 45.100 -1.102 0.000 0.767 370 G HN 0.688 nan 8.290 nan 0.000 0.550 371 L N 1.448 122.403 121.223 -0.445 0.000 2.360 371 L HA 0.196 4.536 4.340 0.000 0.000 0.276 371 L C 0.682 177.439 176.870 -0.189 0.000 1.121 371 L CA -0.680 54.004 54.840 -0.259 0.000 0.845 371 L CB 1.198 43.024 42.059 -0.388 0.000 1.143 371 L HN 0.050 nan 8.230 nan 0.000 0.452 372 D N 1.785 122.120 120.400 -0.109 0.000 2.183 372 D HA -0.026 4.614 4.640 0.000 0.000 0.203 372 D C 0.306 176.506 176.300 -0.167 0.000 0.969 372 D CA 1.173 55.112 54.000 -0.102 0.000 0.842 372 D CB 0.700 41.475 40.800 -0.041 0.000 0.957 372 D HN 0.231 nan 8.370 nan 0.000 0.484 373 V N 0.401 120.184 119.914 -0.217 0.000 2.969 373 V HA 0.392 4.512 4.120 0.000 0.000 0.304 373 V C -1.478 174.351 176.094 -0.442 0.000 1.192 373 V CA -0.828 61.257 62.300 -0.358 0.000 0.962 373 V CB 2.012 33.613 31.823 -0.370 0.000 1.045 373 V HN 0.383 nan 8.190 nan 0.000 0.428 374 C N 4.009 122.951 119.300 -0.596 0.000 2.802 374 C HA 0.875 5.335 4.460 0.000 0.000 0.307 374 C C -1.339 173.213 174.990 -0.731 0.000 1.222 374 C CA -0.960 57.733 59.018 -0.541 0.000 1.580 374 C CB 1.150 28.632 27.740 -0.430 0.000 2.119 374 C HN 0.837 nan 8.230 nan 0.000 0.479 375 Y N 1.519 121.691 120.300 -0.212 0.000 2.326 375 Y HA 0.762 5.312 4.550 0.000 0.000 0.331 375 Y C -0.054 175.778 175.900 -0.115 0.000 0.962 375 Y CA -0.658 57.341 58.100 -0.169 0.000 1.167 375 Y CB 1.312 39.708 38.460 -0.107 0.000 1.148 375 Y HN 0.611 nan 8.280 nan 0.000 0.463 376 L N 2.206 123.441 121.223 0.020 0.000 2.401 376 L HA 0.553 4.893 4.340 0.000 0.000 0.266 376 L C -0.219 176.861 176.870 0.350 0.000 0.991 376 L CA -0.857 54.078 54.840 0.158 0.000 0.818 376 L CB 2.391 44.494 42.059 0.073 0.000 1.321 376 L HN 0.517 nan 8.230 nan 0.000 0.413 377 S N 1.536 117.417 115.700 0.302 0.000 2.593 377 S HA 0.570 5.040 4.470 0.000 0.000 0.269 377 S C -0.646 174.153 174.600 0.331 0.000 1.334 377 S CA -0.313 57.997 58.200 0.185 0.000 1.015 377 S CB 0.565 63.780 63.200 0.024 0.000 0.912 377 S HN 0.381 nan 8.310 nan 0.000 0.541 378 F N -1.342 118.680 119.950 0.121 0.000 2.576 378 F HA 0.835 5.362 4.527 0.000 0.000 0.313 378 F C 0.353 176.068 175.800 -0.142 0.000 1.078 378 F CA -1.300 56.686 58.000 -0.024 0.000 0.921 378 F CB 1.076 40.014 39.000 -0.102 0.000 1.232 378 F HN 0.527 nan 8.300 nan 0.000 0.459 379 A N 1.115 123.895 122.820 -0.068 0.000 1.924 379 A HA 0.339 4.659 4.320 0.000 0.000 0.211 379 A C 0.231 177.855 177.584 0.068 0.000 1.198 379 A CA 0.567 52.477 52.037 -0.211 0.000 0.657 379 A CB -0.191 18.541 19.000 -0.446 0.000 0.852 379 A HN 0.824 nan 8.150 nan 0.000 0.454 380 E N -1.129 119.122 120.200 0.085 0.000 2.356 380 E HA 0.568 4.918 4.350 0.000 0.000 0.275 380 E C -1.941 174.559 176.600 -0.166 0.000 0.904 380 E CA -0.667 55.742 56.400 0.015 0.000 0.757 380 E CB 2.694 32.410 29.700 0.026 0.000 1.232 380 E HN 0.017 nan 8.360 nan 0.000 0.442 381 V N 2.208 121.882 119.914 -0.401 0.000 2.638 381 V HA 0.260 4.380 4.120 0.000 0.000 0.306 381 V C -0.582 175.336 176.094 -0.293 0.000 1.052 381 V CA -0.813 61.153 62.300 -0.557 0.000 0.885 381 V CB 1.852 32.929 31.823 -1.243 0.000 0.999 381 V HN 0.784 nan 8.190 nan 0.000 0.424 382 D N 2.394 122.669 120.400 -0.208 0.000 2.569 382 D HA 0.225 4.866 4.640 0.000 0.000 0.266 382 D C 1.011 176.945 176.300 -0.609 0.000 1.164 382 D CA -0.549 53.334 54.000 -0.196 0.000 1.071 382 D CB 0.779 41.530 40.800 -0.081 0.000 1.183 382 D HN 0.541 nan 8.370 nan 0.000 0.613 383 Q N -1.085 118.111 119.800 -1.006 0.000 2.291 383 Q HA -0.162 4.178 4.340 0.000 0.000 0.205 383 Q C 0.721 176.160 176.000 -0.935 0.000 0.970 383 Q CA 1.144 55.956 55.803 -1.652 0.000 0.876 383 Q CB -0.404 27.555 28.738 -1.298 0.000 0.935 383 Q HN 0.522 nan 8.270 nan 0.000 0.455 384 H N -0.306 118.535 119.070 -0.381 0.000 2.539 384 H HA 0.197 4.753 4.556 0.000 0.000 0.267 384 H C 1.152 176.417 175.328 -0.105 0.000 0.982 384 H CA 0.713 56.646 56.048 -0.191 0.000 1.146 384 H CB 0.886 30.571 29.762 -0.128 0.000 1.382 384 H HN 0.592 nan 8.280 nan 0.000 0.577 385 G N 1.348 110.099 108.800 -0.082 0.000 2.179 385 G HA2 -0.281 3.679 3.960 0.000 0.000 0.260 385 G HA3 -0.281 3.679 3.960 0.000 0.000 0.260 385 G C 0.178 175.212 174.900 0.222 0.000 0.977 385 G CA -0.060 45.077 45.100 0.061 0.000 0.641 385 G HN 0.312 nan 8.290 nan 0.000 0.533 386 N N -0.116 118.661 118.700 0.127 0.000 2.416 386 N HA 0.390 5.130 4.740 0.000 0.000 0.246 386 N C 0.118 175.704 175.510 0.126 0.000 1.260 386 N CA 0.441 53.597 53.050 0.177 0.000 0.897 386 N CB 1.511 40.051 38.487 0.087 0.000 1.110 386 N HN 0.218 nan 8.380 nan 0.000 0.439 387 V N -0.226 119.830 119.914 0.236 0.000 2.656 387 V HA 0.667 4.787 4.120 0.000 0.000 0.307 387 V C 0.517 176.680 176.094 0.114 0.000 1.051 387 V CA -0.934 61.387 62.300 0.034 0.000 0.893 387 V CB 1.950 33.635 31.823 -0.231 0.000 0.999 387 V HN 0.756 nan 8.190 nan 0.000 0.426 388 G N 1.855 110.657 108.800 0.003 0.000 2.470 388 G HA2 0.565 4.525 3.960 0.000 0.000 0.320 388 G HA3 0.565 4.525 3.960 0.000 0.000 0.320 388 G C -0.261 174.556 174.900 -0.138 0.000 1.245 388 G CA -0.251 44.832 45.100 -0.028 0.000 0.935 388 G HN 0.538 nan 8.290 nan 0.000 0.476 389 V N 1.839 121.619 119.914 -0.223 0.000 3.264 389 V HA 0.071 4.192 4.120 0.000 0.000 0.262 389 V C 1.725 177.695 176.094 -0.207 0.000 1.616 389 V CA 0.614 62.722 62.300 -0.320 0.000 1.033 389 V CB -0.126 31.266 31.823 -0.717 0.000 0.865 389 V HN 0.913 nan 8.190 nan 0.000 0.420 390 H N 0.209 119.144 119.070 -0.224 0.000 2.535 390 H HA 0.223 4.779 4.556 0.000 0.000 0.273 390 H C 0.401 175.618 175.328 -0.185 0.000 0.983 390 H CA 0.202 56.133 56.048 -0.195 0.000 1.238 390 H CB 0.459 30.018 29.762 -0.338 0.000 1.412 390 H HN 0.282 nan 8.280 nan 0.000 0.562 391 K N 0.217 120.289 120.400 -0.547 0.000 2.482 391 K HA 0.379 4.699 4.320 0.000 0.000 0.251 391 K C -2.075 174.479 176.600 -0.077 0.000 0.936 391 K CA -0.656 55.438 56.287 -0.323 0.000 0.791 391 K CB 2.645 34.875 32.500 -0.450 0.000 1.213 391 K HN 0.056 nan 8.250 nan 0.000 0.428 392 F N 3.458 123.298 119.950 -0.183 0.000 2.562 392 F HA 0.251 4.778 4.527 -0.000 0.000 0.319 392 F C -0.352 175.390 175.800 -0.097 0.000 1.154 392 F CA -0.719 57.205 58.000 -0.127 0.000 0.931 392 F CB 1.231 40.177 39.000 -0.090 0.000 1.198 392 F HN 0.595 nan 8.300 nan 0.000 0.444 393 N N 4.491 122.879 118.700 -0.519 0.000 2.686 393 N HA -0.220 4.520 4.740 0.000 0.000 0.261 393 N C 0.899 176.275 175.510 -0.224 0.000 1.001 393 N CA 1.455 54.244 53.050 -0.435 0.000 0.764 393 N CB -0.945 37.194 38.487 -0.580 0.000 0.898 393 N HN 1.251 nan 8.380 nan 0.000 0.544 394 G N -1.621 107.078 108.800 -0.169 0.000 2.377 394 G HA2 -0.404 3.556 3.960 0.000 0.000 0.250 394 G HA3 -0.404 3.556 3.960 0.000 0.000 0.250 394 G C 0.320 175.157 174.900 -0.105 0.000 1.039 394 G CA 1.119 46.144 45.100 -0.124 0.000 0.625 394 G HN 0.502 nan 8.290 nan 0.000 0.526 395 K N 0.920 121.269 120.400 -0.084 0.000 2.218 395 K HA 0.720 5.040 4.320 0.000 0.000 0.276 395 K C 0.988 177.555 176.600 -0.055 0.000 1.022 395 K CA -0.355 55.904 56.287 -0.048 0.000 0.946 395 K CB 0.760 33.258 32.500 -0.002 0.000 1.000 395 K HN 0.390 nan 8.250 nan 0.000 0.468 399 T N -2.517 112.336 114.554 0.497 0.000 2.983 399 T HA 0.440 4.791 4.350 0.000 0.000 0.250 399 T C 2.026 176.941 174.700 0.360 0.000 1.037 399 T CA 1.615 63.971 62.100 0.426 0.000 1.142 399 T CB -0.505 68.635 68.868 0.454 0.000 0.876 399 T HN 2.599 nan 8.240 nan 0.000 0.455 400 G N 1.177 110.171 108.800 0.323 0.000 2.574 400 G HA2 -0.137 3.823 3.960 0.000 0.000 0.286 400 G HA3 -0.137 3.823 3.960 0.000 0.000 0.286 400 G C 0.888 175.940 174.900 0.253 0.000 1.212 400 G CA 0.140 45.316 45.100 0.127 0.000 0.979 400 G HN 1.190 nan 8.290 nan 0.000 0.557 401 G N -0.596 108.389 108.800 0.308 0.000 3.233 401 G HA2 0.390 4.350 3.960 0.000 0.000 0.227 401 G HA3 0.390 4.350 3.960 0.000 0.000 0.227 401 G C 1.233 176.376 174.900 0.405 0.000 1.175 401 G CA 1.029 46.402 45.100 0.456 0.000 0.781 401 G HN 0.678 nan 8.290 nan 0.000 0.542 402 F N 1.325 121.413 119.950 0.229 0.000 2.091 402 F HA -0.158 4.369 4.527 0.000 0.000 0.299 402 F C 2.327 178.273 175.800 0.243 0.000 1.103 402 F CA 1.637 59.771 58.000 0.223 0.000 1.228 402 F CB 0.078 39.221 39.000 0.237 0.000 0.984 402 F HN 0.143 nan 8.300 nan 0.000 0.477 403 I N 0.069 120.911 120.570 0.453 0.000 2.353 403 I HA -0.266 3.904 4.170 0.000 0.000 0.248 403 I C 1.887 178.108 176.117 0.173 0.000 1.119 403 I CA 1.406 62.887 61.300 0.301 0.000 1.417 403 I CB -0.721 37.452 38.000 0.287 0.000 1.078 403 I HN 0.177 nan 8.210 nan 0.000 0.421 404 D N 1.091 121.636 120.400 0.242 0.000 2.218 404 D HA -0.145 4.495 4.640 0.000 0.000 0.204 404 D C 2.175 178.663 176.300 0.314 0.000 0.976 404 D CA 1.447 55.657 54.000 0.350 0.000 0.853 404 D CB 0.152 41.340 40.800 0.646 0.000 0.939 404 D HN 0.428 nan 8.370 nan 0.000 0.481 405 I N 0.806 121.477 120.570 0.168 0.000 2.628 405 I HA -0.157 4.013 4.170 0.000 0.000 0.255 405 I C 2.424 178.447 176.117 -0.158 0.000 1.119 405 I CA 0.525 61.798 61.300 -0.046 0.000 1.448 405 I CB 0.060 37.991 38.000 -0.115 0.000 1.133 405 I HN -0.086 nan 8.210 nan 0.000 0.438 406 S N 1.076 116.659 115.700 -0.195 0.000 2.562 406 S HA 0.130 4.601 4.470 0.000 0.000 0.221 406 S C 1.975 176.627 174.600 0.088 0.000 0.975 406 S CA 0.469 58.563 58.200 -0.176 0.000 0.918 406 S CB -0.086 62.904 63.200 -0.349 0.000 0.772 406 S HN 0.319 nan 8.310 nan 0.000 0.531 407 A N 2.131 124.983 122.820 0.054 0.000 1.897 407 A HA 0.074 4.394 4.320 0.000 0.000 0.215 407 A C 2.321 179.912 177.584 0.011 0.000 1.181 407 A CA 1.704 53.768 52.037 0.046 0.000 0.620 407 A CB -0.768 18.235 19.000 0.004 0.000 0.821 407 A HN 0.796 nan 8.150 nan 0.000 0.443 408 T N -4.732 109.813 114.554 -0.016 0.000 3.130 408 T HA 0.249 4.599 4.350 0.000 0.000 0.288 408 T C 0.375 175.027 174.700 -0.080 0.000 0.936 408 T CA 0.456 62.535 62.100 -0.036 0.000 0.897 408 T CB -0.283 68.572 68.868 -0.021 0.000 1.178 408 T HN 0.094 nan 8.240 nan 0.000 0.543 409 S N 2.737 118.361 115.700 -0.126 0.000 2.560 409 S HA 0.206 4.676 4.470 0.000 0.000 0.284 409 S C 1.250 175.754 174.600 -0.160 0.000 1.327 409 S CA -0.688 57.399 58.200 -0.189 0.000 1.055 409 S CB 0.944 63.979 63.200 -0.275 0.000 0.868 409 S HN 0.257 nan 8.310 nan 0.000 0.506 410 K N 2.109 122.416 120.400 -0.154 0.000 2.097 410 K HA -0.000 4.320 4.320 0.000 0.000 0.206 410 K C 0.093 176.614 176.600 -0.132 0.000 1.049 410 K CA 1.347 57.563 56.287 -0.118 0.000 0.933 410 K CB -0.059 32.382 32.500 -0.099 0.000 0.717 410 K HN 0.499 nan 8.250 nan 0.000 0.442 411 K N 0.628 120.913 120.400 -0.191 0.000 2.426 411 K HA 0.431 4.751 4.320 0.000 0.000 0.254 411 K C -0.764 175.625 176.600 -0.352 0.000 0.936 411 K CA -0.319 55.831 56.287 -0.228 0.000 0.801 411 K CB 1.966 34.334 32.500 -0.220 0.000 1.139 411 K HN -0.113 nan 8.250 nan 0.000 0.424 412 I N 4.715 125.050 120.570 -0.391 0.000 2.354 412 I HA 0.295 4.465 4.170 0.000 0.000 0.286 412 I C -0.534 175.151 176.117 -0.721 0.000 1.007 412 I CA -0.757 60.166 61.300 -0.628 0.000 1.167 412 I CB 1.070 38.667 38.000 -0.671 0.000 1.320 412 I HN 0.353 nan 8.210 nan 0.000 0.458 413 I N 6.964 127.099 120.570 -0.726 0.000 2.371 413 I HA 0.301 4.471 4.170 0.000 0.000 0.282 413 I C -0.264 175.625 176.117 -0.380 0.000 1.031 413 I CA -0.415 60.603 61.300 -0.469 0.000 1.180 413 I CB 0.006 37.796 38.000 -0.350 0.000 1.336 413 I HN 0.344 nan 8.210 nan 0.000 0.467 414 F N 4.521 124.386 119.950 -0.142 0.000 2.427 414 F HA 0.299 4.826 4.527 0.000 0.000 0.352 414 F C 0.663 176.678 175.800 0.358 0.000 1.100 414 F CA -0.078 57.984 58.000 0.103 0.000 1.191 414 F CB 0.949 39.946 39.000 -0.006 0.000 1.128 414 F HN 0.353 nan 8.300 nan 0.000 0.533 415 C N 2.663 122.312 119.300 0.582 0.000 2.441 415 C HA 0.924 5.385 4.460 0.000 0.000 0.318 415 C C 0.400 175.457 174.990 0.111 0.000 1.222 415 C CA -0.732 58.511 59.018 0.375 0.000 1.474 415 C CB 0.606 28.462 27.740 0.193 0.000 2.125 415 C HN 1.086 nan 8.230 nan 0.000 0.479 416 G N 1.754 110.582 108.800 0.045 0.000 2.428 416 G HA2 0.694 4.654 3.960 0.000 0.000 0.304 416 G HA3 0.694 4.654 3.960 0.000 0.000 0.304 416 G C -0.787 174.099 174.900 -0.023 0.000 1.303 416 G CA -0.040 44.830 45.100 -0.383 0.000 0.825 416 G HN 0.765 nan 8.290 nan 0.000 0.484 417 T N -1.371 113.154 114.554 -0.049 0.000 2.927 417 T HA 0.520 4.870 4.350 0.000 0.000 0.281 417 T C 1.277 176.167 174.700 0.318 0.000 0.998 417 T CA -0.341 61.835 62.100 0.127 0.000 1.019 417 T CB 1.851 70.757 68.868 0.063 0.000 1.061 417 T HN 0.654 nan 8.240 nan 0.000 0.518 418 L N 1.189 122.597 121.223 0.307 0.000 2.109 418 L HA 0.187 4.527 4.340 0.000 0.000 0.207 418 L C 1.198 178.262 176.870 0.323 0.000 1.086 418 L CA 1.256 56.314 54.840 0.363 0.000 0.760 418 L CB -0.244 41.905 42.059 0.149 0.000 0.910 418 L HN 1.090 nan 8.230 nan 0.000 0.437 419 T N -2.917 111.758 114.554 0.201 0.000 2.924 419 T HA 0.818 5.169 4.350 0.000 0.000 0.291 419 T C -0.385 174.391 174.700 0.127 0.000 1.045 419 T CA -0.384 61.810 62.100 0.158 0.000 1.015 419 T CB 1.939 70.868 68.868 0.101 0.000 1.103 419 T HN 0.152 nan 8.240 nan 0.000 0.496 420 A N -0.129 122.763 122.820 0.120 0.000 2.346 420 A HA 0.964 5.284 4.320 0.000 0.000 0.313 420 A C 0.705 178.341 177.584 0.086 0.000 1.140 420 A CA -0.544 51.558 52.037 0.108 0.000 0.826 420 A CB 0.471 19.567 19.000 0.160 0.000 1.332 420 A HN 2.495 nan 8.150 nan 0.000 0.457 421 G N 0.401 109.249 108.800 0.080 0.000 2.898 421 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 421 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 421 G C 0.353 175.279 174.900 0.042 0.000 1.061 421 G CA 0.576 45.710 45.100 0.056 0.000 1.230 421 G HN 2.601 nan 8.290 nan 0.000 0.569 422 S N -2.518 113.205 115.700 0.040 0.000 3.628 422 S HA -0.232 4.238 4.470 0.000 0.000 0.373 422 S C 0.533 175.151 174.600 0.029 0.000 0.968 422 S CA 0.992 59.210 58.200 0.030 0.000 1.215 422 S CB -1.602 61.612 63.200 0.024 0.000 0.912 422 S HN 2.205 nan 8.310 nan 0.000 0.495 423 L N 1.070 122.314 121.223 0.034 0.000 2.455 423 L HA 0.499 4.839 4.340 0.000 0.000 0.272 423 L C 0.266 177.153 176.870 0.027 0.000 1.174 423 L CA 0.866 55.726 54.840 0.034 0.000 0.869 423 L CB 0.379 42.463 42.059 0.043 0.000 1.130 423 L HN 0.410 nan 8.230 nan 0.000 0.474 424 K N 3.706 124.120 120.400 0.024 0.000 2.397 424 K HA 0.540 4.860 4.320 0.000 0.000 0.253 424 K C -0.889 175.725 176.600 0.023 0.000 0.932 424 K CA -0.712 55.588 56.287 0.021 0.000 0.795 424 K CB 2.032 34.542 32.500 0.017 0.000 1.159 424 K HN 0.642 nan 8.250 nan 0.000 0.424 425 T N 1.638 116.207 114.554 0.025 0.000 2.900 425 T HA 0.272 4.623 4.350 0.000 0.000 0.295 425 T C -1.779 172.939 174.700 0.030 0.000 1.044 425 T CA -0.762 61.357 62.100 0.031 0.000 0.995 425 T CB 1.234 70.126 68.868 0.041 0.000 1.072 425 T HN 0.739 nan 8.240 nan 0.000 0.473 426 E N 3.141 123.362 120.200 0.035 0.000 2.293 426 E HA 0.560 4.910 4.350 0.000 0.000 0.270 426 E C -1.419 175.215 176.600 0.055 0.000 0.879 426 E CA -0.941 55.481 56.400 0.036 0.000 0.756 426 E CB 1.489 31.204 29.700 0.025 0.000 1.208 426 E HN 0.357 nan 8.360 nan 0.000 0.428 427 I N 2.492 123.102 120.570 0.067 0.000 2.306 427 I HA 0.484 4.655 4.170 0.000 0.000 0.288 427 I C -0.433 175.727 176.117 0.072 0.000 1.036 427 I CA -0.059 61.304 61.300 0.106 0.000 1.221 427 I CB 1.359 39.442 38.000 0.139 0.000 1.385 427 I HN 0.672 nan 8.210 nan 0.000 0.472 428 A N 3.834 126.688 122.820 0.056 0.000 2.449 428 A HA 0.616 4.936 4.320 0.000 0.000 0.302 428 A C -0.033 177.566 177.584 0.024 0.000 1.048 428 A CA -0.476 51.582 52.037 0.035 0.000 0.708 428 A CB 0.974 19.986 19.000 0.020 0.000 1.274 428 A HN 0.641 nan 8.150 nan 0.000 0.410 429 D N 0.917 121.331 120.400 0.023 0.000 2.689 429 D HA -0.168 4.472 4.640 0.000 0.000 0.237 429 D C 1.189 177.494 176.300 0.007 0.000 1.148 429 D CA 2.725 56.733 54.000 0.013 0.000 0.656 429 D CB -1.046 39.754 40.800 -0.000 0.000 1.050 429 D HN 2.161 nan 8.370 nan 0.000 0.426 430 G N -0.488 108.335 108.800 0.038 0.000 2.168 430 G HA2 -0.366 3.594 3.960 0.000 0.000 0.257 430 G HA3 -0.366 3.594 3.960 0.000 0.000 0.257 430 G C 0.401 175.255 174.900 -0.076 0.000 0.997 430 G CA 1.171 46.300 45.100 0.047 0.000 0.708 430 G HN 0.537 nan 8.290 nan 0.000 0.520 431 K N -0.897 119.453 120.400 -0.085 0.000 2.395 431 K HA 0.761 5.081 4.320 0.000 0.000 0.247 431 K C -0.170 176.362 176.600 -0.114 0.000 0.973 431 K CA -0.848 55.308 56.287 -0.218 0.000 0.828 431 K CB 1.508 33.928 32.500 -0.134 0.000 1.272 431 K HN 0.053 nan 8.250 nan 0.000 0.439 432 L N 2.516 123.633 121.223 -0.177 0.000 2.292 432 L HA 0.431 4.771 4.340 0.000 0.000 0.284 432 L C -1.014 175.847 176.870 -0.016 0.000 1.065 432 L CA -0.408 54.433 54.840 0.002 0.000 0.806 432 L CB 1.111 43.199 42.059 0.048 0.000 1.175 432 L HN 0.660 nan 8.230 nan 0.000 0.431 433 N N 4.820 123.530 118.700 0.015 0.000 2.399 433 N HA 0.362 5.103 4.740 0.000 0.000 0.280 433 N C -0.876 174.643 175.510 0.015 0.000 1.008 433 N CA -0.450 52.603 53.050 0.005 0.000 0.894 433 N CB 1.279 39.768 38.487 0.003 0.000 1.273 433 N HN 0.450 nan 8.380 nan 0.000 0.486 434 I N 4.010 124.586 120.570 0.010 0.000 2.294 434 I HA 0.082 4.252 4.170 0.000 0.000 0.295 434 I C 1.205 177.328 176.117 0.011 0.000 1.098 434 I CA -0.361 60.947 61.300 0.015 0.000 1.277 434 I CB 0.826 38.834 38.000 0.013 0.000 1.434 434 I HN 0.378 nan 8.210 nan 0.000 0.498 435 V N 4.868 124.791 119.914 0.014 0.000 2.488 435 V HA -0.097 4.023 4.120 0.000 0.000 0.246 435 V C 0.788 176.888 176.094 0.011 0.000 1.046 435 V CA 1.279 63.586 62.300 0.011 0.000 1.053 435 V CB -0.301 31.530 31.823 0.013 0.000 0.679 435 V HN 0.815 nan 8.190 nan 0.000 0.458 436 Q N 0.282 120.091 119.800 0.014 0.000 2.309 436 Q HA 0.295 4.636 4.340 0.000 0.000 0.254 436 Q C -0.955 175.056 176.000 0.018 0.000 0.938 436 Q CA -0.474 55.337 55.803 0.014 0.000 0.789 436 Q CB 1.870 30.616 28.738 0.014 0.000 1.313 436 Q HN 0.364 nan 8.270 nan 0.000 0.438 437 E N 1.929 122.140 120.200 0.017 0.000 2.383 437 E HA 0.381 4.731 4.350 0.000 0.000 0.264 437 E C -0.112 176.504 176.600 0.027 0.000 1.050 437 E CA 0.385 56.799 56.400 0.022 0.000 0.896 437 E CB 0.931 30.642 29.700 0.018 0.000 0.982 437 E HN 0.681 nan 8.360 nan 0.000 0.424 438 G N 2.801 111.623 108.800 0.037 0.000 2.554 438 G HA2 0.082 4.043 3.960 0.000 0.000 0.238 438 G HA3 0.082 4.043 3.960 0.000 0.000 0.238 438 G C 0.289 175.212 174.900 0.039 0.000 1.259 438 G CA -0.216 44.910 45.100 0.044 0.000 0.843 438 G HN 0.717 nan 8.290 nan 0.000 0.582 439 R N -0.023 120.498 120.500 0.036 0.000 2.362 439 R HA 0.257 4.597 4.340 0.000 0.000 0.227 439 R C -0.488 175.830 176.300 0.030 0.000 0.905 439 R CA -0.183 55.933 56.100 0.027 0.000 1.067 439 R CB 0.226 30.536 30.300 0.017 0.000 1.078 439 R HN 0.221 nan 8.270 nan 0.000 0.516 440 V N 1.834 121.777 119.914 0.047 0.000 2.540 440 V HA 0.274 4.394 4.120 0.000 0.000 0.302 440 V C -0.322 175.823 176.094 0.084 0.000 1.035 440 V CA -1.063 61.270 62.300 0.055 0.000 0.873 440 V CB 2.101 33.958 31.823 0.057 0.000 0.992 440 V HN 0.151 nan 8.190 nan 0.000 0.428 441 K N 2.937 123.385 120.400 0.080 0.000 2.350 441 K HA 0.274 4.594 4.320 0.000 0.000 0.279 441 K C 0.464 177.155 176.600 0.151 0.000 1.027 441 K CA -0.108 56.246 56.287 0.112 0.000 0.969 441 K CB 1.147 33.697 32.500 0.084 0.000 0.954 441 K HN 0.551 nan 8.250 nan 0.000 0.474 442 K N 1.362 121.900 120.400 0.230 0.000 2.348 442 K HA 0.108 4.428 4.320 0.000 0.000 0.194 442 K C -0.274 176.373 176.600 0.079 0.000 1.052 442 K CA 0.269 56.682 56.287 0.210 0.000 1.004 442 K CB 0.355 33.042 32.500 0.312 0.000 0.873 442 K HN 0.323 nan 8.250 nan 0.000 0.523 443 F N 2.480 122.445 119.950 0.026 0.000 2.335 443 F HA 0.304 4.831 4.527 0.000 0.000 0.365 443 F C 0.340 176.170 175.800 0.049 0.000 1.122 443 F CA -1.193 56.792 58.000 -0.024 0.000 1.151 443 F CB 0.140 38.965 39.000 -0.292 0.000 1.282 443 F HN -0.074 nan 8.300 nan 0.000 0.513 444 I N -0.381 120.339 120.570 0.250 0.000 3.023 444 I HA 0.595 4.765 4.170 0.000 0.000 0.312 444 I C 1.217 177.489 176.117 0.258 0.000 1.056 444 I CA -1.089 60.334 61.300 0.205 0.000 1.033 444 I CB 1.537 39.595 38.000 0.097 0.000 1.233 444 I HN 0.252 nan 8.210 nan 0.000 0.462 445 R N 0.593 121.192 120.500 0.166 0.000 2.070 445 R HA 0.051 4.391 4.340 0.000 0.000 0.233 445 R C -0.119 176.180 176.300 -0.001 0.000 1.137 445 R CA 1.553 57.705 56.100 0.086 0.000 0.945 445 R CB -0.213 30.126 30.300 0.065 0.000 0.845 445 R HN 0.727 nan 8.270 nan 0.000 0.430 446 E N -0.530 119.689 120.200 0.031 0.000 2.311 446 E HA 0.286 4.636 4.350 0.000 0.000 0.281 446 E C -1.362 175.255 176.600 0.028 0.000 0.905 446 E CA -0.234 56.192 56.400 0.043 0.000 0.778 446 E CB 1.411 31.143 29.700 0.054 0.000 1.240 446 E HN -0.018 nan 8.360 nan 0.000 0.410 447 L N 5.681 126.920 121.223 0.026 0.000 2.461 447 L HA 0.245 4.585 4.340 0.000 0.000 0.272 447 L C -1.100 175.775 176.870 0.009 0.000 1.197 447 L CA -1.178 53.670 54.840 0.013 0.000 0.836 447 L CB 0.254 42.326 42.059 0.022 0.000 1.105 447 L HN 0.632 nan 8.230 nan 0.000 0.477 448 P HA -0.029 nan 4.420 nan 0.000 0.216 448 P C -0.077 177.224 177.300 0.003 0.000 1.153 448 P CA 1.153 64.244 63.100 -0.015 0.000 0.844 448 P CB 0.476 32.151 31.700 -0.042 0.000 0.787 449 E N -0.893 119.312 120.200 0.009 0.000 2.340 449 E HA 0.518 4.868 4.350 0.000 0.000 0.273 449 E C -0.758 175.953 176.600 0.185 0.000 0.891 449 E CA -0.795 55.667 56.400 0.103 0.000 0.757 449 E CB 2.335 32.110 29.700 0.125 0.000 1.231 449 E HN -0.065 nan 8.360 nan 0.000 0.439 450 I N 1.442 122.173 120.570 0.269 0.000 2.377 450 I HA 0.187 4.357 4.170 0.000 0.000 0.293 450 I C 0.757 177.114 176.117 0.400 0.000 0.987 450 I CA -0.074 61.383 61.300 0.261 0.000 1.185 450 I CB 1.723 39.815 38.000 0.153 0.000 1.341 450 I HN 0.576 nan 8.210 nan 0.000 0.455 451 T N 4.670 119.474 114.554 0.417 0.000 3.015 451 T HA 0.161 4.512 4.350 0.000 0.000 0.250 451 T C -0.159 174.931 174.700 0.650 0.000 1.057 451 T CA 0.416 62.822 62.100 0.511 0.000 1.066 451 T CB 0.122 69.196 68.868 0.343 0.000 0.959 451 T HN 0.412 nan 8.240 nan 0.000 0.488 452 F N 1.774 121.963 119.950 0.399 0.000 2.561 452 F HA 0.621 5.148 4.527 0.000 0.000 0.313 452 F C -0.790 175.129 175.800 0.198 0.000 1.126 452 F CA -1.199 57.011 58.000 0.351 0.000 0.918 452 F CB 1.852 41.141 39.000 0.482 0.000 1.199 452 F HN -0.165 nan 8.300 nan 0.000 0.444 453 S N 4.142 119.484 115.700 -0.597 0.000 2.422 453 S HA 0.427 4.897 4.470 0.000 0.000 0.298 453 S C 1.084 175.232 174.600 -0.752 0.000 1.118 453 S CA 0.092 58.004 58.200 -0.481 0.000 1.083 453 S CB 0.900 63.937 63.200 -0.273 0.000 0.971 453 S HN 1.072 nan 8.310 nan 0.000 0.478 454 G N 4.511 113.113 108.800 -0.330 0.000 2.446 454 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 454 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 454 G C 1.340 176.190 174.900 -0.084 0.000 1.168 454 G CA 0.825 45.882 45.100 -0.071 0.000 0.771 454 G HN 0.715 nan 8.290 nan 0.000 0.551 455 K N -0.032 120.312 120.400 -0.094 0.000 2.057 455 K HA -0.062 4.258 4.320 0.000 0.000 0.207 455 K C 2.406 178.949 176.600 -0.096 0.000 1.049 455 K CA 0.988 57.233 56.287 -0.071 0.000 0.931 455 K CB -0.179 32.274 32.500 -0.079 0.000 0.714 455 K HN 0.217 nan 8.250 nan 0.000 0.440 456 I N 1.363 121.839 120.570 -0.157 0.000 2.252 456 I HA -0.177 3.994 4.170 0.000 0.000 0.245 456 I C 2.569 178.610 176.117 -0.127 0.000 1.102 456 I CA 1.247 62.459 61.300 -0.148 0.000 1.385 456 I CB -1.531 36.363 38.000 -0.176 0.000 1.064 456 I HN 0.186 nan 8.210 nan 0.000 0.414 457 A N 1.170 123.886 122.820 -0.173 0.000 1.883 457 A HA -0.194 4.126 4.320 0.000 0.000 0.217 457 A C 2.410 179.999 177.584 0.007 0.000 1.186 457 A CA 1.509 53.521 52.037 -0.043 0.000 0.624 457 A CB -0.914 18.139 19.000 0.087 0.000 0.822 457 A HN 0.401 nan 8.150 nan 0.000 0.444 458 L N -0.960 120.268 121.223 0.008 0.000 2.046 458 L HA -0.218 4.123 4.340 0.000 0.000 0.208 458 L C 2.599 179.466 176.870 -0.005 0.000 1.077 458 L CA 1.760 56.610 54.840 0.018 0.000 0.747 458 L CB -0.643 41.432 42.059 0.027 0.000 0.896 458 L HN 0.458 nan 8.230 nan 0.000 0.432 459 E N -0.035 120.150 120.200 -0.025 0.000 2.160 459 E HA -0.210 4.140 4.350 0.000 0.000 0.195 459 E C 2.129 178.711 176.600 -0.031 0.000 0.991 459 E CA 0.965 57.346 56.400 -0.032 0.000 0.810 459 E CB 0.013 29.683 29.700 -0.050 0.000 0.742 459 E HN 0.387 nan 8.360 nan 0.000 0.466 460 R N -0.738 119.743 120.500 -0.032 0.000 2.313 460 R HA 0.056 4.396 4.340 0.000 0.000 0.199 460 R C 0.947 177.237 176.300 -0.017 0.000 0.958 460 R CA 0.483 56.567 56.100 -0.028 0.000 1.047 460 R CB 0.483 30.763 30.300 -0.032 0.000 0.955 460 R HN 0.223 nan 8.270 nan 0.000 0.481 461 G N 1.310 110.105 108.800 -0.010 0.000 2.147 461 G HA2 -0.265 3.696 3.960 0.000 0.000 0.244 461 G HA3 -0.265 3.696 3.960 0.000 0.000 0.244 461 G C 0.028 174.925 174.900 -0.006 0.000 1.005 461 G CA -0.160 44.937 45.100 -0.006 0.000 0.713 461 G HN 0.158 nan 8.290 nan 0.000 0.515 462 L N 0.032 121.257 121.223 0.004 0.000 2.395 462 L HA 0.503 4.843 4.340 0.000 0.000 0.269 462 L C 0.319 177.192 176.870 0.005 0.000 1.133 462 L CA -0.814 54.025 54.840 -0.002 0.000 0.812 462 L CB 0.859 42.927 42.059 0.015 0.000 1.125 462 L HN 0.103 nan 8.230 nan 0.000 0.452 463 D N 1.811 122.194 120.400 -0.029 0.000 2.359 463 D HA 0.340 4.980 4.640 0.000 0.000 0.230 463 D C -0.952 175.311 176.300 -0.062 0.000 1.118 463 D CA -0.185 53.797 54.000 -0.031 0.000 0.844 463 D CB 1.242 42.014 40.800 -0.047 0.000 1.059 463 D HN 0.075 nan 8.370 nan 0.000 0.493 464 V N 4.777 124.682 119.914 -0.015 0.000 2.384 464 V HA 0.511 4.631 4.120 0.000 0.000 0.287 464 V C 0.299 176.337 176.094 -0.093 0.000 1.020 464 V CA -0.837 61.413 62.300 -0.084 0.000 0.850 464 V CB 1.435 33.300 31.823 0.069 0.000 0.987 464 V HN 0.397 nan 8.190 nan 0.000 0.436 465 R N 3.192 123.557 120.500 -0.225 0.000 2.711 465 R HA 0.659 5.000 4.340 0.000 0.000 0.284 465 R C -1.889 174.305 176.300 -0.177 0.000 0.968 465 R CA -0.602 55.458 56.100 -0.066 0.000 0.924 465 R CB 1.515 31.807 30.300 -0.013 0.000 1.162 465 R HN 0.606 nan 8.270 nan 0.000 0.465 466 Y N 3.771 124.267 120.300 0.326 0.000 2.326 466 Y HA 0.481 5.031 4.550 0.000 0.000 0.329 466 Y C -0.305 175.861 175.900 0.443 0.000 0.973 466 Y CA -0.690 57.652 58.100 0.402 0.000 1.162 466 Y CB 1.269 39.948 38.460 0.366 0.000 1.147 466 Y HN 0.298 nan 8.280 nan 0.000 0.456 467 I N 4.210 125.091 120.570 0.517 0.000 2.339 467 I HA 0.467 4.637 4.170 0.000 0.000 0.290 467 I C 0.133 176.505 176.117 0.425 0.000 0.994 467 I CA -0.451 61.066 61.300 0.362 0.000 1.191 467 I CB 1.713 39.840 38.000 0.211 0.000 1.343 467 I HN 0.699 nan 8.210 nan 0.000 0.458 468 T N 0.997 115.756 114.554 0.342 0.000 2.883 468 T HA 0.261 4.612 4.350 0.000 0.000 0.284 468 T C 0.946 175.736 174.700 0.149 0.000 1.041 468 T CA -0.652 61.625 62.100 0.296 0.000 1.007 468 T CB 1.758 70.849 68.868 0.372 0.000 1.220 468 T HN 0.619 nan 8.240 nan 0.000 0.552 469 E N 1.080 121.352 120.200 0.120 0.000 2.204 469 E HA -0.198 4.152 4.350 0.000 0.000 0.194 469 E C 1.597 178.265 176.600 0.112 0.000 0.989 469 E CA 1.192 57.642 56.400 0.083 0.000 0.824 469 E CB -0.217 29.526 29.700 0.072 0.000 0.756 469 E HN 0.882 nan 8.360 nan 0.000 0.477 470 R N 0.170 120.726 120.500 0.093 0.000 2.419 470 R HA 0.573 4.913 4.340 0.000 0.000 0.235 470 R C 0.366 176.665 176.300 -0.001 0.000 0.899 470 R CA 0.370 56.506 56.100 0.061 0.000 1.048 470 R CB 0.676 30.997 30.300 0.035 0.000 1.182 470 R HN 0.098 nan 8.270 nan 0.000 0.544 471 A N 0.600 123.403 122.820 -0.028 0.000 2.604 471 A HA 0.609 4.929 4.320 0.000 0.000 0.295 471 A C -1.505 175.953 177.584 -0.210 0.000 1.067 471 A CA -0.635 51.277 52.037 -0.209 0.000 0.683 471 A CB 2.272 21.038 19.000 -0.389 0.000 1.281 471 A HN -0.006 nan 8.150 nan 0.000 0.407 472 V N 1.130 120.838 119.914 -0.344 0.000 2.656 472 V HA 0.714 4.834 4.120 0.000 0.000 0.307 472 V C -1.116 174.768 176.094 -0.351 0.000 1.051 472 V CA -0.346 61.857 62.300 -0.162 0.000 0.893 472 V CB 1.331 33.152 31.823 -0.004 0.000 0.999 472 V HN 0.732 nan 8.190 nan 0.000 0.426 473 F N 0.877 120.961 119.950 0.224 0.000 2.561 473 F HA 0.754 5.281 4.527 -0.000 0.000 0.321 473 F C 0.453 176.457 175.800 0.341 0.000 1.065 473 F CA -0.637 57.522 58.000 0.266 0.000 0.934 473 F CB 2.439 41.602 39.000 0.272 0.000 1.215 473 F HN 0.307 nan 8.300 nan 0.000 0.471 474 T N 2.666 117.517 114.554 0.496 0.000 2.861 474 T HA 0.430 4.780 4.350 0.000 0.000 0.287 474 T C -1.270 173.667 174.700 0.396 0.000 1.003 474 T CA -0.512 61.814 62.100 0.375 0.000 0.977 474 T CB 1.666 70.649 68.868 0.192 0.000 0.996 474 T HN 0.390 nan 8.240 nan 0.000 0.448 475 L N 3.943 125.408 121.223 0.403 0.000 2.360 475 L HA 0.514 4.854 4.340 0.000 0.000 0.276 475 L C -0.143 176.830 176.870 0.172 0.000 1.121 475 L CA 0.581 55.630 54.840 0.349 0.000 0.845 475 L CB -0.179 42.135 42.059 0.425 0.000 1.143 475 L HN 0.552 nan 8.230 nan 0.000 0.452 476 K N 3.038 123.519 120.400 0.135 0.000 2.409 476 K HA 0.358 4.678 4.320 0.000 0.000 0.252 476 K C 0.494 177.147 176.600 0.088 0.000 1.036 476 K CA -0.888 55.417 56.287 0.030 0.000 0.871 476 K CB 1.427 33.797 32.500 -0.217 0.000 1.374 476 K HN 0.409 nan 8.250 nan 0.000 0.459 477 E N 1.264 121.500 120.200 0.061 0.000 2.160 477 E HA -0.201 4.149 4.350 0.000 0.000 0.195 477 E C 0.772 177.425 176.600 0.088 0.000 0.991 477 E CA 1.563 58.003 56.400 0.066 0.000 0.810 477 E CB -0.075 29.653 29.700 0.047 0.000 0.742 477 E HN 0.593 nan 8.360 nan 0.000 0.466 478 D N -0.679 119.802 120.400 0.135 0.000 2.328 478 D HA 0.188 4.829 4.640 0.000 0.000 0.221 478 D C 1.032 177.405 176.300 0.121 0.000 1.072 478 D CA 0.617 54.694 54.000 0.129 0.000 0.850 478 D CB 0.473 41.359 40.800 0.144 0.000 0.922 478 D HN 0.134 nan 8.370 nan 0.000 0.516 479 G N -0.232 108.660 108.800 0.153 0.000 2.298 479 G HA2 0.023 3.983 3.960 0.000 0.000 0.309 479 G HA3 0.023 3.983 3.960 0.000 0.000 0.309 479 G C -1.593 173.450 174.900 0.238 0.000 1.279 479 G CA -0.834 44.330 45.100 0.106 0.000 1.042 479 G HN 0.145 nan 8.290 nan 0.000 0.480 480 L N 1.917 123.250 121.223 0.182 0.000 2.410 480 L HA 0.361 4.701 4.340 0.000 0.000 0.273 480 L C 0.827 177.932 176.870 0.393 0.000 1.144 480 L CA 0.243 55.255 54.840 0.286 0.000 0.863 480 L CB 0.413 42.554 42.059 0.137 0.000 1.140 480 L HN 0.512 nan 8.230 nan 0.000 0.463 481 H N 3.833 123.070 119.070 0.279 0.000 2.517 481 H HA 0.239 4.795 4.556 0.000 0.000 0.317 481 H C -0.536 174.979 175.328 0.312 0.000 1.080 481 H CA -1.147 55.048 56.048 0.244 0.000 1.301 481 H CB 1.939 31.801 29.762 0.167 0.000 1.425 481 H HN 0.342 nan 8.280 nan 0.000 0.471 482 L N 5.675 127.070 121.223 0.287 0.000 2.369 482 L HA 0.090 4.430 4.340 0.000 0.000 0.279 482 L C 0.745 177.605 176.870 -0.017 0.000 1.108 482 L CA 0.320 55.154 54.840 -0.010 0.000 0.852 482 L CB -0.152 41.856 42.059 -0.085 0.000 1.169 482 L HN 0.654 nan 8.230 nan 0.000 0.452 483 I N 0.182 120.716 120.570 -0.060 0.000 4.139 483 I HA 0.450 4.620 4.170 0.000 0.000 0.320 483 I C 0.016 176.117 176.117 -0.027 0.000 1.290 483 I CA -0.081 61.224 61.300 0.009 0.000 1.253 483 I CB 0.193 38.235 38.000 0.071 0.000 1.122 483 I HN 0.500 nan 8.210 nan 0.000 0.421 484 E N 1.555 121.697 120.200 -0.096 0.000 2.331 484 E HA 0.666 5.016 4.350 0.000 0.000 0.275 484 E C -1.477 175.053 176.600 -0.117 0.000 0.895 484 E CA -0.773 55.589 56.400 -0.064 0.000 0.753 484 E CB 3.027 32.723 29.700 -0.007 0.000 1.216 484 E HN 0.118 nan 8.360 nan 0.000 0.434 485 I N 0.686 121.215 120.570 -0.068 0.000 2.608 485 I HA 0.565 4.735 4.170 0.000 0.000 0.295 485 I C -0.117 175.980 176.117 -0.033 0.000 1.049 485 I CA -1.011 60.245 61.300 -0.074 0.000 1.063 485 I CB 1.867 39.819 38.000 -0.079 0.000 1.248 485 I HN 0.494 nan 8.210 nan 0.000 0.424 486 A N 5.729 128.536 122.820 -0.021 0.000 2.462 486 A HA 0.581 4.901 4.320 0.000 0.000 0.243 486 A C -2.272 175.174 177.584 -0.230 0.000 1.076 486 A CA -1.117 50.877 52.037 -0.072 0.000 0.773 486 A CB -0.623 18.395 19.000 0.029 0.000 1.010 486 A HN 0.557 nan 8.150 nan 0.000 0.493 487 P HA 0.210 nan 4.420 nan 0.000 0.268 487 P C 0.849 177.959 177.300 -0.318 0.000 1.204 487 P CA 1.479 64.367 63.100 -0.353 0.000 0.768 487 P CB 0.810 32.245 31.700 -0.441 0.000 0.842 488 G N 0.962 109.650 108.800 -0.187 0.000 2.176 488 G HA2 -0.172 3.788 3.960 0.000 0.000 0.232 488 G HA3 -0.172 3.788 3.960 0.000 0.000 0.232 488 G C -0.183 174.661 174.900 -0.092 0.000 0.986 488 G CA -0.164 44.857 45.100 -0.131 0.000 0.643 488 G HN 0.569 nan 8.290 nan 0.000 0.522 489 V N 0.987 120.845 119.914 -0.094 0.000 2.513 489 V HA 0.585 4.705 4.120 0.000 0.000 0.299 489 V C -0.248 175.811 176.094 -0.058 0.000 1.035 489 V CA -0.405 61.856 62.300 -0.065 0.000 0.889 489 V CB 1.859 33.646 31.823 -0.059 0.000 0.988 489 V HN 0.356 nan 8.190 nan 0.000 0.440 490 D N 3.042 123.414 120.400 -0.046 0.000 2.249 490 D HA 0.248 4.888 4.640 0.000 0.000 0.246 490 D C 0.984 177.258 176.300 -0.043 0.000 1.114 490 D CA -0.270 53.705 54.000 -0.042 0.000 0.854 490 D CB 1.287 42.067 40.800 -0.034 0.000 1.132 490 D HN 0.419 nan 8.370 nan 0.000 0.461 491 L N 3.057 124.253 121.223 -0.045 0.000 1.990 491 L HA -0.253 4.087 4.340 0.000 0.000 0.213 491 L C 1.919 178.763 176.870 -0.044 0.000 1.072 491 L CA 1.798 56.610 54.840 -0.048 0.000 0.755 491 L CB -0.222 41.810 42.059 -0.044 0.000 0.889 491 L HN 0.612 nan 8.230 nan 0.000 0.432 492 Q N 0.498 120.276 119.800 -0.037 0.000 1.990 492 Q HA -0.230 4.110 4.340 0.000 0.000 0.200 492 Q C 2.144 178.124 176.000 -0.034 0.000 0.980 492 Q CA 2.452 58.234 55.803 -0.034 0.000 0.832 492 Q CB -0.125 28.596 28.738 -0.028 0.000 0.897 492 Q HN 0.579 nan 8.270 nan 0.000 0.427 493 K N -1.143 119.239 120.400 -0.030 0.000 2.116 493 K HA -0.061 4.259 4.320 0.000 0.000 0.203 493 K C 0.879 177.463 176.600 -0.026 0.000 1.052 493 K CA 1.524 57.796 56.287 -0.025 0.000 0.952 493 K CB 0.017 32.504 32.500 -0.021 0.000 0.729 493 K HN 0.101 nan 8.250 nan 0.000 0.446 494 D N 0.247 120.629 120.400 -0.029 0.000 2.346 494 D HA 0.162 4.802 4.640 0.000 0.000 0.206 494 D C 1.777 178.057 176.300 -0.034 0.000 1.001 494 D CA 0.562 54.546 54.000 -0.026 0.000 0.871 494 D CB 0.418 41.204 40.800 -0.025 0.000 0.943 494 D HN 0.303 nan 8.370 nan 0.000 0.518 495 I N -0.497 120.044 120.570 -0.047 0.000 3.534 495 I HA 0.007 4.177 4.170 0.000 0.000 0.251 495 I C 2.094 178.160 176.117 -0.085 0.000 1.136 495 I CA -0.011 61.251 61.300 -0.063 0.000 1.475 495 I CB 0.200 38.162 38.000 -0.064 0.000 1.526 495 I HN -0.199 nan 8.210 nan 0.000 0.454 496 L N 1.043 122.220 121.223 -0.076 0.000 2.046 496 L HA -0.207 4.133 4.340 0.000 0.000 0.208 496 L C 1.729 178.546 176.870 -0.088 0.000 1.077 496 L CA 1.366 56.152 54.840 -0.090 0.000 0.747 496 L CB -0.673 41.347 42.059 -0.064 0.000 0.896 496 L HN 0.281 nan 8.230 nan 0.000 0.432 497 D N -0.294 120.070 120.400 -0.060 0.000 2.350 497 D HA -0.037 4.603 4.640 0.000 0.000 0.216 497 D C 0.870 177.144 176.300 -0.043 0.000 0.968 497 D CA 0.913 54.886 54.000 -0.045 0.000 0.894 497 D CB 0.112 40.894 40.800 -0.030 0.000 0.909 497 D HN 0.192 nan 8.370 nan 0.000 0.520 501 F N -1.463 118.472 119.950 -0.026 0.000 2.643 501 F HA 0.732 5.259 4.527 0.001 0.000 0.314 501 F C -0.443 175.328 175.800 -0.049 0.000 1.096 501 F CA -0.937 57.034 58.000 -0.048 0.000 0.953 501 F CB 0.967 39.919 39.000 -0.079 0.000 1.345 501 F HN -0.324 nan 8.300 nan 0.000 0.468 502 T N 3.557 118.204 114.554 0.154 0.000 2.728 502 T HA 0.425 4.776 4.350 0.000 0.000 0.296 502 T C -2.383 172.416 174.700 0.165 0.000 0.940 502 T CA -0.883 61.250 62.100 0.055 0.000 1.013 502 T CB 0.627 69.519 68.868 0.040 0.000 0.912 502 T HN 0.446 nan 8.240 nan 0.000 0.484 503 P HA 0.305 nan 4.420 nan 0.000 0.276 503 P C -0.498 176.831 177.300 0.049 0.000 1.244 503 P CA -0.546 62.646 63.100 0.154 0.000 0.801 503 P CB 0.680 32.487 31.700 0.179 0.000 1.006 504 V N 2.623 122.514 119.914 -0.037 0.000 2.572 504 V HA 0.061 4.181 4.120 0.000 0.000 0.291 504 V C 0.935 176.941 176.094 -0.147 0.000 1.039 504 V CA -0.047 62.131 62.300 -0.204 0.000 1.055 504 V CB -0.104 31.355 31.823 -0.606 0.000 0.969 504 V HN 0.341 nan 8.190 nan 0.000 0.482 505 I N 4.111 124.629 120.570 -0.087 0.000 2.352 505 I HA 0.155 4.325 4.170 0.000 0.000 0.290 505 I C 0.873 176.978 176.117 -0.020 0.000 1.036 505 I CA 0.408 61.688 61.300 -0.034 0.000 1.336 505 I CB 1.316 39.302 38.000 -0.022 0.000 1.407 505 I HN 0.657 nan 8.210 nan 0.000 0.497 506 S N 7.543 123.265 115.700 0.037 0.000 2.549 506 S HA 0.126 4.596 4.470 0.000 0.000 0.286 506 S C -1.352 173.284 174.600 0.060 0.000 1.314 506 S CA -0.995 57.266 58.200 0.102 0.000 1.062 506 S CB 0.759 64.041 63.200 0.136 0.000 0.865 506 S HN 0.390 nan 8.310 nan 0.000 0.498 507 P HA -0.026 nan 4.420 nan 0.000 0.222 507 P C 0.097 177.421 177.300 0.040 0.000 1.147 507 P CA 0.992 64.119 63.100 0.045 0.000 0.790 507 P CB 0.088 31.818 31.700 0.050 0.000 0.780 508 E N -0.819 119.412 120.200 0.051 0.000 2.394 508 E HA 0.116 4.466 4.350 0.000 0.000 0.191 508 E C 0.216 176.838 176.600 0.036 0.000 1.044 508 E CA -0.427 55.998 56.400 0.042 0.000 0.939 508 E CB -0.187 29.541 29.700 0.048 0.000 1.089 508 E HN 0.230 nan 8.360 nan 0.000 0.456 509 L N 3.100 124.340 121.223 0.029 0.000 2.628 509 L HA -0.046 4.294 4.340 0.000 0.000 0.274 509 L C 0.167 177.042 176.870 0.008 0.000 1.209 509 L CA 1.009 55.856 54.840 0.012 0.000 0.930 509 L CB 0.093 42.150 42.059 -0.003 0.000 1.183 509 L HN 0.142 nan 8.230 nan 0.000 0.492 510 K N 3.497 123.903 120.400 0.009 0.000 2.443 510 K HA 0.524 4.844 4.320 0.000 0.000 0.251 510 K C -0.931 175.676 176.600 0.011 0.000 0.972 510 K CA -1.196 55.100 56.287 0.015 0.000 0.833 510 K CB 1.562 34.082 32.500 0.034 0.000 1.317 510 K HN 0.171 nan 8.250 nan 0.000 0.441 514 E N 1.973 122.324 120.200 0.251 0.000 2.097 514 E HA -0.179 4.171 4.350 0.000 0.000 0.196 514 E C 1.710 178.467 176.600 0.262 0.000 1.000 514 E CA 1.445 57.992 56.400 0.245 0.000 0.804 514 E CB -0.041 29.741 29.700 0.137 0.000 0.740 514 E HN 0.428 nan 8.360 nan 0.000 0.454 515 R N 0.346 120.968 120.500 0.203 0.000 2.152 515 R HA -0.042 4.299 4.340 0.000 0.000 0.232 515 R C 2.296 178.644 176.300 0.079 0.000 1.117 515 R CA 0.956 57.148 56.100 0.153 0.000 0.981 515 R CB -0.506 29.899 30.300 0.175 0.000 0.870 515 R HN 0.213 nan 8.270 nan 0.000 0.451 516 L N -0.534 120.691 121.223 0.004 0.000 2.127 516 L HA -0.150 4.190 4.340 0.000 0.000 0.211 516 L C 1.237 177.836 176.870 -0.453 0.000 1.089 516 L CA 1.266 55.899 54.840 -0.346 0.000 0.757 516 L CB -0.191 41.464 42.059 -0.674 0.000 0.899 516 L HN 0.143 nan 8.230 nan 0.000 0.434 517 F N -0.781 119.160 119.950 -0.016 0.000 2.641 517 F HA 0.289 4.816 4.527 -0.000 0.000 0.302 517 F C 0.689 176.487 175.800 -0.004 0.000 1.098 517 F CA -0.234 57.757 58.000 -0.015 0.000 1.318 517 F CB 0.061 39.054 39.000 -0.012 0.000 1.035 517 F HN -0.133 nan 8.300 nan 0.000 0.551 518 I N 0.317 120.956 120.570 0.114 0.000 2.377 518 I HA 0.130 4.300 4.170 0.000 0.000 0.293 518 I C 0.075 176.216 176.117 0.039 0.000 0.987 518 I CA -0.599 60.750 61.300 0.081 0.000 1.185 518 I CB 1.213 39.262 38.000 0.082 0.000 1.341 518 I HN -0.210 nan 8.210 nan 0.000 0.455 519 D N 6.045 126.466 120.400 0.035 0.000 3.032 519 D HA 0.415 5.055 4.640 0.000 0.000 0.241 519 D C -0.346 175.965 176.300 0.019 0.000 1.196 519 D CA 0.241 54.252 54.000 0.018 0.000 0.927 519 D CB -0.008 40.802 40.800 0.018 0.000 1.129 519 D HN 0.595 nan 8.370 nan 0.000 0.458 520 A N -0.117 122.717 122.820 0.022 0.000 2.593 520 A HA 0.784 5.104 4.320 0.000 0.000 0.290 520 A C -0.038 177.565 177.584 0.031 0.000 1.126 520 A CA -0.323 51.729 52.037 0.026 0.000 0.695 520 A CB 0.843 19.862 19.000 0.031 0.000 1.290 520 A HN 0.258 nan 8.150 nan 0.000 0.414 524 F N 2.180 122.154 119.950 0.041 0.000 2.467 524 F HA 0.621 5.149 4.527 0.000 0.000 0.362 524 F C -0.137 175.670 175.800 0.012 0.000 1.090 524 F CA -0.438 57.577 58.000 0.025 0.000 1.202 524 F CB 1.249 40.307 39.000 0.096 0.000 1.113 524 F HN -0.056 nan 8.300 nan 0.000 0.541 525 V N 7.981 127.396 119.914 -0.831 0.000 2.398 525 V HA 0.237 4.357 4.120 0.000 0.000 0.286 525 V C 0.177 175.615 176.094 -1.094 0.000 1.026 525 V CA -0.986 60.891 62.300 -0.705 0.000 0.868 525 V CB 1.409 33.023 31.823 -0.348 0.000 0.982 525 V HN 0.673 nan 8.190 nan 0.000 0.443 526 L N 7.053 127.846 121.223 -0.717 0.000 2.455 526 L HA 0.235 4.575 4.340 0.000 0.000 0.272 526 L C -1.949 174.782 176.870 -0.231 0.000 1.174 526 L CA -1.304 53.301 54.840 -0.391 0.000 0.869 526 L CB 0.739 42.778 42.059 -0.033 0.000 1.130 526 L HN 0.438 nan 8.230 nan 0.000 0.474 527 P HA 0.016 nan 4.420 nan 0.000 0.267 527 P C -0.441 176.834 177.300 -0.043 0.000 1.200 527 P CA -0.244 62.806 63.100 -0.084 0.000 0.772 527 P CB 0.550 32.228 31.700 -0.038 0.000 0.855 528 E N 1.223 121.400 120.200 -0.038 0.000 2.409 528 E HA 0.366 4.717 4.350 0.000 0.000 0.257 528 E C 0.278 176.877 176.600 -0.002 0.000 1.150 528 E CA -0.182 56.206 56.400 -0.019 0.000 0.942 528 E CB 0.192 29.879 29.700 -0.022 0.000 0.979 528 E HN 0.482 nan 8.360 nan 0.000 0.447 529 A N 0.000 122.825 122.820 0.008 0.000 2.254 529 A HA 0.000 4.320 4.320 0.000 0.000 0.244 529 A CA 0.000 52.047 52.037 0.016 0.000 0.836 529 A CB 0.000 19.013 19.000 0.022 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486