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 3lth_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGXAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.297 176.300 -0.005 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 D N 4.064 124.448 120.400 -0.026 0.000 2.400 2 D HA 0.416 5.056 4.640 -0.000 0.000 0.238 2 D C -0.638 175.595 176.300 -0.111 0.000 1.157 2 D CA 0.509 54.462 54.000 -0.079 0.000 0.889 2 D CB 0.754 41.477 40.800 -0.130 0.000 1.199 2 D HN 0.419 nan 8.370 nan 0.000 0.436 3 K N 0.349 120.668 120.400 -0.134 0.000 2.444 3 K HA 0.523 4.843 4.320 -0.000 0.000 0.252 3 K C -1.049 175.468 176.600 -0.138 0.000 0.993 3 K CA -0.829 55.388 56.287 -0.116 0.000 0.847 3 K CB 1.578 34.070 32.500 -0.013 0.000 1.340 3 K HN 0.138 nan 8.250 nan 0.000 0.446 4 F N 1.397 121.355 119.950 0.013 0.000 2.444 4 F HA 0.405 4.932 4.527 -0.000 0.000 0.342 4 F C 0.219 176.021 175.800 0.003 0.000 1.121 4 F CA -0.768 57.235 58.000 0.005 0.000 0.997 4 F CB 1.556 40.552 39.000 -0.007 0.000 1.130 4 F HN 0.239 nan 8.300 nan 0.000 0.454 5 R N 3.345 123.980 120.500 0.225 0.000 2.255 5 R HA 0.728 5.068 4.340 -0.000 0.000 0.326 5 R C -1.781 174.567 176.300 0.079 0.000 0.986 5 R CA -0.369 55.800 56.100 0.116 0.000 0.847 5 R CB 1.041 31.390 30.300 0.081 0.000 1.111 5 R HN 0.508 nan 8.270 nan 0.000 0.452 6 V N 4.566 124.507 119.914 0.045 0.000 2.604 6 V HA 0.319 4.439 4.120 -0.000 0.000 0.305 6 V C -0.558 175.537 176.094 0.003 0.000 1.043 6 V CA -0.911 61.391 62.300 0.004 0.000 0.888 6 V CB 1.899 33.711 31.823 -0.018 0.000 0.995 6 V HN 0.718 nan 8.190 nan 0.000 0.429 7 Q N 2.781 122.577 119.800 -0.006 0.000 2.333 7 Q HA 0.627 4.967 4.340 -0.000 0.000 0.265 7 Q C 0.095 176.089 176.000 -0.011 0.000 0.989 7 Q CA -0.141 55.660 55.803 -0.004 0.000 0.842 7 Q CB 2.477 31.214 28.738 -0.001 0.000 1.262 7 Q HN 0.966 nan 8.270 nan 0.000 0.451 8 G N 2.732 111.526 108.800 -0.010 0.000 2.788 8 G HA2 0.736 4.696 3.960 -0.000 0.000 0.293 8 G HA3 0.736 4.696 3.960 -0.000 0.000 0.293 8 G C -2.751 172.143 174.900 -0.010 0.000 1.305 8 G CA -1.308 43.784 45.100 -0.013 0.000 1.005 8 G HN 0.309 nan 8.290 nan 0.000 0.496 9 P HA 0.351 nan 4.420 nan 0.000 0.286 9 P C -0.712 176.579 177.300 -0.014 0.000 1.261 9 P CA -0.144 62.948 63.100 -0.014 0.000 0.821 9 P CB 1.651 33.344 31.700 -0.013 0.000 1.013 10 T N -0.399 114.145 114.554 -0.017 0.000 2.921 10 T HA 0.451 4.801 4.350 -0.000 0.000 0.297 10 T C -0.198 174.492 174.700 -0.017 0.000 1.013 10 T CA -1.039 61.050 62.100 -0.017 0.000 0.990 10 T CB 1.550 70.406 68.868 -0.021 0.000 1.023 10 T HN 0.417 nan 8.240 nan 0.000 0.447 11 R N 2.672 123.163 120.500 -0.015 0.000 2.543 11 R HA 0.495 4.835 4.340 -0.000 0.000 0.277 11 R C -0.776 175.517 176.300 -0.013 0.000 1.074 11 R CA -0.537 55.554 56.100 -0.013 0.000 1.076 11 R CB 0.256 30.548 30.300 -0.014 0.000 0.993 11 R HN 0.714 nan 8.270 nan 0.000 0.459 12 L N 5.924 127.143 121.223 -0.006 0.000 2.280 12 L HA 0.353 4.693 4.340 -0.000 0.000 0.287 12 L C -0.426 176.444 176.870 0.001 0.000 1.023 12 L CA -0.414 54.428 54.840 0.003 0.000 0.819 12 L CB 1.290 43.365 42.059 0.026 0.000 1.212 12 L HN 0.767 nan 8.230 nan 0.000 0.420 13 Q N 2.727 122.519 119.800 -0.013 0.000 2.435 13 Q HA 0.848 5.188 4.340 -0.000 0.000 0.282 13 Q C -0.364 175.613 176.000 -0.039 0.000 1.020 13 Q CA -0.534 55.254 55.803 -0.024 0.000 0.820 13 Q CB 3.028 31.749 28.738 -0.029 0.000 1.436 13 Q HN 0.641 nan 8.270 nan 0.000 0.395 14 G N 1.162 109.934 108.800 -0.047 0.000 2.250 14 G HA2 0.003 3.963 3.960 -0.000 0.000 0.189 14 G HA3 0.003 3.963 3.960 -0.000 0.000 0.189 14 G C -1.498 173.358 174.900 -0.073 0.000 1.298 14 G CA -0.017 45.046 45.100 -0.061 0.000 1.246 14 G HN 1.101 nan 8.290 nan 0.000 0.513 15 E N -1.740 118.405 120.200 -0.093 0.000 2.416 15 E HA 0.760 5.110 4.350 -0.000 0.000 0.273 15 E C -1.541 174.965 176.600 -0.157 0.000 0.935 15 E CA -1.005 55.332 56.400 -0.105 0.000 0.784 15 E CB 2.792 32.436 29.700 -0.093 0.000 1.301 15 E HN 1.534 nan 8.360 nan 0.000 0.454 16 V N 0.890 120.699 119.914 -0.175 0.000 2.932 16 V HA 0.442 4.561 4.120 -0.000 0.000 0.307 16 V C -1.473 174.528 176.094 -0.154 0.000 1.147 16 V CA -0.283 61.859 62.300 -0.263 0.000 0.951 16 V CB 2.519 33.985 31.823 -0.596 0.000 1.031 16 V HN 0.891 nan 8.190 nan 0.000 0.426 17 T N 7.776 122.259 114.554 -0.118 0.000 2.743 17 T HA 0.510 4.860 4.350 -0.000 0.000 0.292 17 T C -0.066 174.622 174.700 -0.020 0.000 0.972 17 T CA -0.241 61.831 62.100 -0.046 0.000 0.967 17 T CB 0.430 69.280 68.868 -0.031 0.000 0.926 17 T HN 0.478 nan 8.240 nan 0.000 0.459 18 I N 3.261 123.843 120.570 0.020 0.000 2.648 18 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 18 I C 1.160 177.306 176.117 0.048 0.000 1.153 18 I CA 0.159 61.498 61.300 0.064 0.000 1.426 18 I CB 0.359 38.409 38.000 0.083 0.000 1.381 18 I HN 0.553 nan 8.210 nan 0.000 0.571 19 S N 4.030 119.768 115.700 0.062 0.000 2.669 19 S HA 0.507 4.977 4.470 -0.000 0.000 0.270 19 S C 0.640 175.249 174.600 0.016 0.000 1.225 19 S CA -0.601 57.621 58.200 0.036 0.000 0.991 19 S CB 1.346 64.575 63.200 0.049 0.000 0.987 19 S HN 0.848 nan 8.310 nan 0.000 0.552 20 G N 0.261 109.059 108.800 -0.003 0.000 2.554 20 G HA2 0.431 4.391 3.960 -0.000 0.000 0.238 20 G HA3 0.431 4.391 3.960 -0.000 0.000 0.238 20 G C -0.032 174.857 174.900 -0.019 0.000 1.259 20 G CA -0.350 44.740 45.100 -0.017 0.000 0.843 20 G HN 0.910 nan 8.290 nan 0.000 0.582 21 A N 1.436 124.242 122.820 -0.023 0.000 2.522 21 A HA 0.235 4.555 4.320 -0.000 0.000 0.256 21 A C 1.682 179.250 177.584 -0.026 0.000 1.086 21 A CA 0.276 52.296 52.037 -0.029 0.000 0.763 21 A CB 0.255 19.238 19.000 -0.029 0.000 1.024 21 A HN 0.914 nan 8.150 nan 0.000 0.502 22 K N 2.451 122.831 120.400 -0.033 0.000 2.059 22 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 22 K C 0.607 177.226 176.600 0.033 0.000 1.050 22 K CA 2.130 58.411 56.287 -0.010 0.000 0.927 22 K CB -0.118 32.361 32.500 -0.036 0.000 0.714 22 K HN 0.746 nan 8.250 nan 0.000 0.447 23 N N -0.170 118.548 118.700 0.031 0.000 2.461 23 N HA 0.015 4.755 4.740 -0.000 0.000 0.188 23 N C 0.760 176.286 175.510 0.026 0.000 1.134 23 N CA 0.745 53.844 53.050 0.083 0.000 0.878 23 N CB 0.712 39.257 38.487 0.097 0.000 0.972 23 N HN 0.347 nan 8.380 nan 0.000 0.456 24 A N 0.021 122.828 122.820 -0.020 0.000 1.984 24 A HA 0.433 4.753 4.320 -0.000 0.000 0.203 24 A C 2.161 179.685 177.584 -0.100 0.000 1.292 24 A CA 0.716 52.711 52.037 -0.071 0.000 0.782 24 A CB -0.390 18.584 19.000 -0.043 0.000 0.924 24 A HN 0.170 nan 8.150 nan 0.000 0.475 25 A N 0.429 123.211 122.820 -0.065 0.000 1.908 25 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 25 A C 2.122 179.659 177.584 -0.079 0.000 1.181 25 A CA 1.596 53.577 52.037 -0.093 0.000 0.627 25 A CB -0.703 18.261 19.000 -0.060 0.000 0.818 25 A HN 0.450 nan 8.150 nan 0.000 0.445 26 L N -0.111 121.133 121.223 0.035 0.000 1.994 26 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 26 L C -0.248 176.740 176.870 0.196 0.000 1.071 26 L CA 1.767 56.727 54.840 0.201 0.000 0.745 26 L CB -1.392 40.915 42.059 0.414 0.000 0.892 26 L HN 0.303 nan 8.230 nan 0.000 0.431 27 P HA -0.154 nan 4.420 nan 0.000 0.221 27 P C 1.796 178.920 177.300 -0.293 0.000 1.150 27 P CA 1.532 64.303 63.100 -0.547 0.000 0.800 27 P CB 0.077 31.109 31.700 -1.113 0.000 0.787 28 I N -1.070 119.305 120.570 -0.324 0.000 2.286 28 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 28 I C 2.308 178.131 176.117 -0.489 0.000 1.104 28 I CA 0.898 61.859 61.300 -0.565 0.000 1.397 28 I CB -0.584 36.943 38.000 -0.790 0.000 1.072 28 I HN -0.138 nan 8.210 nan 0.000 0.417 29 L N -0.192 120.839 121.223 -0.320 0.000 2.046 29 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 29 L C 2.169 178.894 176.870 -0.242 0.000 1.077 29 L CA 2.044 56.710 54.840 -0.291 0.000 0.747 29 L CB -0.811 41.058 42.059 -0.317 0.000 0.896 29 L HN 0.087 nan 8.230 nan 0.000 0.432 30 F N -0.933 119.018 119.950 0.002 0.000 2.259 30 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 30 F C 2.383 178.230 175.800 0.078 0.000 1.088 30 F CA 0.892 58.946 58.000 0.090 0.000 1.358 30 F CB -0.845 38.276 39.000 0.201 0.000 1.040 30 F HN 0.043 nan 8.300 nan 0.000 0.505 31 A N -0.108 122.812 122.820 0.165 0.000 2.015 31 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 31 A C 2.324 180.066 177.584 0.263 0.000 1.163 31 A CA 1.294 53.443 52.037 0.187 0.000 0.646 31 A CB -1.109 18.006 19.000 0.192 0.000 0.806 31 A HN 0.253 nan 8.150 nan 0.000 0.448 32 A N -0.393 122.575 122.820 0.246 0.000 2.178 32 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 32 A C 1.901 179.593 177.584 0.179 0.000 1.157 32 A CA 0.965 53.163 52.037 0.269 0.000 0.689 32 A CB -0.567 18.548 19.000 0.191 0.000 0.787 32 A HN 0.491 nan 8.150 nan 0.000 0.465 33 L N -0.906 120.425 121.223 0.181 0.000 2.265 33 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 33 L C 1.992 178.973 176.870 0.186 0.000 1.117 33 L CA 0.668 55.639 54.840 0.217 0.000 0.782 33 L CB -0.298 41.930 42.059 0.282 0.000 0.914 33 L HN 0.416 nan 8.230 nan 0.000 0.441 34 L N -0.479 120.815 121.223 0.118 0.000 2.478 34 L HA 0.080 4.420 4.340 -0.000 0.000 0.223 34 L C 1.308 178.177 176.870 -0.001 0.000 1.140 34 L CA -0.360 54.492 54.840 0.020 0.000 0.842 34 L CB -0.384 41.675 42.059 0.001 0.000 0.953 34 L HN 0.107 nan 8.230 nan 0.000 0.452 35 A N 0.306 123.155 122.820 0.048 0.000 2.409 35 A HA 0.143 4.463 4.320 -0.000 0.000 0.267 35 A C 0.982 178.594 177.584 0.047 0.000 1.127 35 A CA -0.260 51.794 52.037 0.028 0.000 0.795 35 A CB 0.248 19.281 19.000 0.056 0.000 1.061 35 A HN 0.306 nan 8.150 nan 0.000 0.502 36 E N 1.460 121.672 120.200 0.020 0.000 2.318 36 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 36 E C 0.013 176.642 176.600 0.048 0.000 0.998 36 E CA 0.582 57.005 56.400 0.039 0.000 0.859 36 E CB 0.354 30.063 29.700 0.015 0.000 0.812 36 E HN 0.845 nan 8.360 nan 0.000 0.492 37 E N 0.590 120.813 120.200 0.038 0.000 2.249 37 E HA 0.285 4.635 4.350 -0.000 0.000 0.263 37 E C -2.629 174.011 176.600 0.067 0.000 0.950 37 E CA -2.480 53.947 56.400 0.046 0.000 0.827 37 E CB 1.396 31.113 29.700 0.029 0.000 1.220 37 E HN -0.165 nan 8.360 nan 0.000 0.411 38 P HA -0.028 nan 4.420 nan 0.000 0.265 38 P C -1.148 176.228 177.300 0.127 0.000 1.187 38 P CA 0.215 63.383 63.100 0.115 0.000 0.766 38 P CB 0.461 32.233 31.700 0.119 0.000 0.820 39 V N 2.768 122.777 119.914 0.159 0.000 2.735 39 V HA 0.370 4.490 4.120 -0.000 0.000 0.310 39 V C -0.100 176.075 176.094 0.135 0.000 1.061 39 V CA -0.500 61.896 62.300 0.160 0.000 0.913 39 V CB 1.996 33.941 31.823 0.203 0.000 1.005 39 V HN 0.501 nan 8.190 nan 0.000 0.428 40 E N 4.104 124.348 120.200 0.074 0.000 2.185 40 E HA 0.567 4.917 4.350 -0.000 0.000 0.261 40 E C -1.532 174.989 176.600 -0.132 0.000 0.879 40 E CA -0.562 55.733 56.400 -0.175 0.000 0.756 40 E CB 1.457 31.084 29.700 -0.122 0.000 1.152 40 E HN 0.646 nan 8.360 nan 0.000 0.416 41 I N 4.378 124.797 120.570 -0.251 0.000 2.330 41 I HA 0.201 4.371 4.170 -0.000 0.000 0.289 41 I C 0.156 176.119 176.117 -0.257 0.000 1.001 41 I CA -0.528 60.676 61.300 -0.160 0.000 1.193 41 I CB 1.514 39.395 38.000 -0.198 0.000 1.345 41 I HN 0.429 nan 8.210 nan 0.000 0.461 42 Q N 3.875 123.569 119.800 -0.176 0.000 2.205 42 Q HA 0.306 4.646 4.340 -0.000 0.000 0.249 42 Q C 0.278 176.195 176.000 -0.138 0.000 0.948 42 Q CA -0.750 54.941 55.803 -0.186 0.000 0.895 42 Q CB 0.900 29.551 28.738 -0.146 0.000 1.249 42 Q HN 0.573 nan 8.270 nan 0.000 0.458 43 N N -0.406 118.223 118.700 -0.118 0.000 2.740 43 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 43 N C -1.693 173.773 175.510 -0.074 0.000 1.062 43 N CA 0.232 53.234 53.050 -0.080 0.000 0.704 43 N CB -0.897 37.547 38.487 -0.071 0.000 0.968 43 N HN 0.310 nan 8.380 nan 0.000 0.547 44 V N 1.805 121.665 119.914 -0.091 0.000 2.432 44 V HA 0.384 4.504 4.120 -0.000 0.000 0.271 44 V C -1.363 174.705 176.094 -0.043 0.000 1.046 44 V CA -1.056 61.197 62.300 -0.078 0.000 0.945 44 V CB 1.198 32.957 31.823 -0.107 0.000 0.992 44 V HN 0.225 nan 8.190 nan 0.000 0.471 45 P HA 0.169 nan 4.420 nan 0.000 0.272 45 P C -0.823 176.483 177.300 0.011 0.000 1.223 45 P CA -0.496 62.605 63.100 0.001 0.000 0.784 45 P CB 0.917 32.621 31.700 0.006 0.000 0.923 46 K N 2.524 122.942 120.400 0.030 0.000 2.231 46 K HA 0.420 4.740 4.320 -0.000 0.000 0.275 46 K C -0.232 176.400 176.600 0.053 0.000 1.105 46 K CA -0.220 56.090 56.287 0.038 0.000 0.931 46 K CB 0.007 32.533 32.500 0.044 0.000 1.296 46 K HN 0.427 nan 8.250 nan 0.000 0.446 47 L N 1.617 122.868 121.223 0.046 0.000 2.350 47 L HA 0.366 4.706 4.340 -0.000 0.000 0.260 47 L C 1.078 177.981 176.870 0.055 0.000 1.015 47 L CA -1.047 53.828 54.840 0.059 0.000 0.821 47 L CB 1.474 43.563 42.059 0.050 0.000 1.370 47 L HN 0.250 nan 8.230 nan 0.000 0.416 48 K N 0.723 121.163 120.400 0.066 0.000 2.097 48 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 48 K C 1.167 177.800 176.600 0.054 0.000 1.049 48 K CA 1.727 58.048 56.287 0.057 0.000 0.933 48 K CB -0.001 32.540 32.500 0.069 0.000 0.717 48 K HN 0.594 nan 8.250 nan 0.000 0.442 49 D N -0.007 120.432 120.400 0.066 0.000 2.178 49 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 49 D C 1.646 177.990 176.300 0.073 0.000 0.980 49 D CA 0.809 54.856 54.000 0.079 0.000 0.842 49 D CB 0.013 40.869 40.800 0.093 0.000 0.948 49 D HN 0.166 nan 8.370 nan 0.000 0.472 50 I N 1.116 121.714 120.570 0.048 0.000 2.252 50 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 50 I C 1.583 177.705 176.117 0.009 0.000 1.102 50 I CA 1.128 62.439 61.300 0.019 0.000 1.385 50 I CB -0.800 37.203 38.000 0.006 0.000 1.064 50 I HN -0.017 nan 8.210 nan 0.000 0.414 51 D N 0.709 121.121 120.400 0.019 0.000 2.117 51 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 51 D C 2.161 178.467 176.300 0.011 0.000 0.987 51 D CA 1.610 55.618 54.000 0.013 0.000 0.829 51 D CB -0.314 40.496 40.800 0.016 0.000 0.961 51 D HN 0.254 nan 8.370 nan 0.000 0.460 52 T N 0.388 114.957 114.554 0.024 0.000 2.746 52 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 52 T C 2.034 176.761 174.700 0.044 0.000 1.039 52 T CA 1.693 63.812 62.100 0.032 0.000 1.142 52 T CB -0.521 68.376 68.868 0.048 0.000 0.866 52 T HN 0.148 nan 8.240 nan 0.000 0.444 53 T N 2.259 116.840 114.554 0.044 0.000 2.708 53 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 53 T C 2.063 176.700 174.700 -0.103 0.000 1.037 53 T CA 1.171 63.252 62.100 -0.032 0.000 1.146 53 T CB -0.364 68.430 68.868 -0.123 0.000 0.865 53 T HN 0.327 nan 8.240 nan 0.000 0.435 54 M N 0.517 120.077 119.600 -0.067 0.000 2.159 54 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 54 M C 2.318 178.602 176.300 -0.028 0.000 1.063 54 M CA 1.625 56.892 55.300 -0.054 0.000 1.110 54 M CB -0.355 32.231 32.600 -0.024 0.000 1.374 54 M HN 0.159 nan 8.290 nan 0.000 0.411 55 K N 0.424 120.816 120.400 -0.012 0.000 2.057 55 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 55 K C 1.961 178.563 176.600 0.004 0.000 1.050 55 K CA 1.074 57.358 56.287 -0.005 0.000 0.935 55 K CB -0.286 32.209 32.500 -0.007 0.000 0.715 55 K HN 0.312 nan 8.250 nan 0.000 0.439 56 L N 1.339 122.576 121.223 0.022 0.000 1.994 56 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 56 L C 2.116 179.018 176.870 0.054 0.000 1.071 56 L CA 1.261 56.139 54.840 0.064 0.000 0.745 56 L CB -0.178 41.975 42.059 0.157 0.000 0.892 56 L HN 0.179 nan 8.230 nan 0.000 0.431 57 L N -0.757 120.467 121.223 0.003 0.000 2.042 57 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 57 L C 2.515 179.391 176.870 0.010 0.000 1.076 57 L CA 1.876 56.714 54.840 -0.002 0.000 0.749 57 L CB -1.106 40.909 42.059 -0.073 0.000 0.893 57 L HN 0.304 nan 8.230 nan 0.000 0.432 58 T N -0.828 113.726 114.554 -0.000 0.000 2.720 58 T HA -0.230 4.119 4.350 -0.000 0.000 0.268 58 T C 1.858 176.554 174.700 -0.007 0.000 1.037 58 T CA 1.293 63.392 62.100 -0.000 0.000 1.144 58 T CB -0.197 68.670 68.868 -0.002 0.000 0.864 58 T HN 0.416 nan 8.240 nan 0.000 0.444 59 Q N 0.339 120.137 119.800 -0.003 0.000 2.291 59 Q HA 0.059 4.399 4.340 -0.000 0.000 0.206 59 Q C 2.040 178.023 176.000 -0.029 0.000 0.976 59 Q CA 0.782 56.578 55.803 -0.013 0.000 0.875 59 Q CB -0.297 28.440 28.738 -0.001 0.000 0.927 59 Q HN 0.510 nan 8.270 nan 0.000 0.450 60 L N -1.058 120.156 121.223 -0.015 0.000 2.558 60 L HA 0.117 4.457 4.340 -0.000 0.000 0.225 60 L C 1.150 177.961 176.870 -0.098 0.000 1.128 60 L CA 0.560 55.371 54.840 -0.048 0.000 0.868 60 L CB 0.106 42.185 42.059 0.033 0.000 1.006 60 L HN 0.383 nan 8.230 nan 0.000 0.454 61 G N -0.282 108.483 108.800 -0.060 0.000 2.168 61 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.197 61 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.197 61 G C 0.225 175.120 174.900 -0.009 0.000 0.997 61 G CA -0.071 44.994 45.100 -0.058 0.000 0.658 61 G HN 0.218 nan 8.290 nan 0.000 0.513 62 T N 0.530 115.092 114.554 0.013 0.000 2.910 62 T HA 0.519 4.869 4.350 -0.000 0.000 0.293 62 T C 0.196 174.914 174.700 0.031 0.000 1.015 62 T CA 0.217 62.341 62.100 0.039 0.000 1.094 62 T CB 1.853 70.748 68.868 0.044 0.000 0.968 62 T HN 0.380 nan 8.240 nan 0.000 0.521 63 K N 2.581 123.008 120.400 0.045 0.000 2.263 63 K HA 0.542 4.862 4.320 -0.000 0.000 0.272 63 K C -1.400 175.237 176.600 0.062 0.000 1.033 63 K CA -0.528 55.785 56.287 0.043 0.000 0.884 63 K CB 0.459 32.985 32.500 0.043 0.000 1.107 63 K HN 0.368 nan 8.250 nan 0.000 0.460 64 V N 3.688 123.635 119.914 0.056 0.000 2.823 64 V HA 0.583 4.703 4.120 -0.000 0.000 0.312 64 V C -0.791 175.361 176.094 0.098 0.000 1.072 64 V CA -0.821 61.525 62.300 0.077 0.000 0.937 64 V CB 1.953 33.798 31.823 0.038 0.000 1.013 64 V HN 0.862 nan 8.190 nan 0.000 0.430 65 E N 2.409 122.711 120.200 0.171 0.000 2.390 65 E HA 0.789 5.139 4.350 -0.000 0.000 0.277 65 E C -1.044 175.760 176.600 0.339 0.000 0.939 65 E CA -1.033 55.488 56.400 0.201 0.000 0.769 65 E CB 3.098 32.892 29.700 0.157 0.000 1.251 65 E HN 0.814 nan 8.360 nan 0.000 0.450 66 R N 0.169 120.843 120.500 0.291 0.000 2.752 66 R HA 0.403 4.743 4.340 -0.000 0.000 0.271 66 R C -0.654 175.833 176.300 0.312 0.000 1.026 66 R CA -0.690 55.602 56.100 0.320 0.000 0.901 66 R CB 0.633 31.008 30.300 0.125 0.000 1.243 66 R HN 0.511 nan 8.270 nan 0.000 0.463 67 D N 0.823 121.403 120.400 0.299 0.000 2.099 67 D HA 0.045 4.685 4.640 -0.000 0.000 0.278 67 D C 1.394 177.765 176.300 0.118 0.000 1.140 67 D CA 1.059 55.193 54.000 0.222 0.000 0.894 67 D CB -1.024 39.908 40.800 0.220 0.000 0.945 67 D HN 0.627 nan 8.370 nan 0.000 0.338 68 G N -1.004 107.829 108.800 0.054 0.000 2.662 68 G HA2 0.149 4.109 3.960 -0.000 0.000 0.212 68 G HA3 0.149 4.109 3.960 -0.000 0.000 0.212 68 G C 0.540 175.373 174.900 -0.112 0.000 1.141 68 G CA 0.172 45.263 45.100 -0.015 0.000 0.797 68 G HN 0.354 nan 8.290 nan 0.000 0.531 69 S N -1.057 114.501 115.700 -0.236 0.000 2.722 69 S HA 0.661 5.131 4.470 -0.000 0.000 0.292 69 S C -0.696 173.536 174.600 -0.613 0.000 1.135 69 S CA -0.464 57.402 58.200 -0.556 0.000 1.003 69 S CB 2.359 64.934 63.200 -1.041 0.000 1.067 69 S HN -0.038 nan 8.310 nan 0.000 0.546 70 V N 1.657 121.206 119.914 -0.609 0.000 2.540 70 V HA 0.421 4.541 4.120 -0.000 0.000 0.302 70 V C -1.111 174.741 176.094 -0.403 0.000 1.035 70 V CA -0.653 61.458 62.300 -0.315 0.000 0.873 70 V CB 1.514 33.242 31.823 -0.158 0.000 0.992 70 V HN 0.789 nan 8.190 nan 0.000 0.428 71 W N 5.085 126.390 121.300 0.009 0.000 2.429 71 W HA 0.606 5.266 4.660 0.000 0.000 0.314 71 W C -0.946 175.585 176.519 0.019 0.000 1.062 71 W CA -0.614 56.744 57.345 0.022 0.000 1.211 71 W CB 1.839 31.311 29.460 0.021 0.000 1.305 71 W HN 0.268 nan 8.180 nan 0.000 0.476 72 I N 3.099 123.785 120.570 0.192 0.000 2.465 72 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 72 I C -0.516 175.686 176.117 0.142 0.000 1.014 72 I CA -0.630 60.749 61.300 0.132 0.000 1.093 72 I CB 1.778 39.829 38.000 0.085 0.000 1.267 72 I HN 0.300 nan 8.210 nan 0.000 0.431 73 D N 5.306 125.777 120.400 0.118 0.000 2.440 73 D HA 0.506 5.146 4.640 -0.000 0.000 0.252 73 D C 0.040 176.400 176.300 0.100 0.000 1.180 73 D CA -0.363 53.701 54.000 0.106 0.000 0.894 73 D CB 1.643 42.497 40.800 0.091 0.000 1.111 73 D HN 0.582 nan 8.370 nan 0.000 0.544 74 A N 2.695 125.584 122.820 0.116 0.000 2.415 74 A HA 0.159 4.479 4.320 -0.000 0.000 0.248 74 A C 1.778 179.463 177.584 0.169 0.000 1.299 74 A CA 0.413 52.536 52.037 0.144 0.000 0.899 74 A CB -0.317 18.788 19.000 0.174 0.000 0.997 74 A HN 0.504 nan 8.150 nan 0.000 0.506 75 S N 0.734 116.512 115.700 0.129 0.000 2.382 75 S HA -0.134 4.335 4.470 -0.000 0.000 0.228 75 S C 1.086 175.771 174.600 0.140 0.000 1.027 75 S CA 1.355 59.633 58.200 0.130 0.000 0.991 75 S CB -0.380 62.873 63.200 0.090 0.000 0.823 75 S HN 0.536 nan 8.310 nan 0.000 0.469 76 N N 1.391 120.151 118.700 0.101 0.000 2.276 76 N HA 0.258 4.998 4.740 -0.000 0.000 0.212 76 N C -0.564 174.960 175.510 0.023 0.000 1.127 76 N CA -0.026 53.062 53.050 0.064 0.000 0.834 76 N CB 0.566 39.072 38.487 0.032 0.000 1.014 76 N HN 0.241 nan 8.380 nan 0.000 0.491 77 V N 3.204 123.151 119.914 0.056 0.000 2.557 77 V HA -0.071 4.049 4.120 -0.000 0.000 0.301 77 V C 1.122 177.060 176.094 -0.261 0.000 1.026 77 V CA 0.585 62.844 62.300 -0.067 0.000 1.137 77 V CB 0.333 32.175 31.823 0.032 0.000 0.917 77 V HN 0.514 nan 8.190 nan 0.000 0.484 78 N N 2.381 120.835 118.700 -0.409 0.000 2.039 78 N HA 0.060 4.800 4.740 -0.000 0.000 0.228 78 N C -0.366 174.548 175.510 -0.993 0.000 1.369 78 N CA -0.370 52.323 53.050 -0.594 0.000 0.806 78 N CB 0.113 38.432 38.487 -0.280 0.000 1.190 78 N HN 0.593 nan 8.380 nan 0.000 0.506 79 N N 0.362 118.495 118.700 -0.945 0.000 2.399 79 N HA 0.353 5.093 4.740 -0.000 0.000 0.284 79 N C -1.344 173.737 175.510 -0.715 0.000 1.025 79 N CA -0.597 51.989 53.050 -0.773 0.000 0.885 79 N CB 0.632 38.916 38.487 -0.339 0.000 1.339 79 N HN -0.042 nan 8.380 nan 0.000 0.487 80 F N 0.616 120.506 119.950 -0.099 0.000 2.647 80 F HA 0.378 4.905 4.527 -0.000 0.000 0.300 80 F C 1.039 176.827 175.800 -0.019 0.000 1.106 80 F CA -0.505 57.459 58.000 -0.060 0.000 1.313 80 F CB 0.005 38.970 39.000 -0.058 0.000 1.007 80 F HN 0.335 nan 8.300 nan 0.000 0.536 81 S N 1.192 116.923 115.700 0.051 0.000 2.474 81 S HA 0.781 5.250 4.470 -0.000 0.000 0.321 81 S C -0.128 174.550 174.600 0.130 0.000 1.080 81 S CA -0.595 57.636 58.200 0.052 0.000 1.106 81 S CB 0.423 63.590 63.200 -0.055 0.000 0.984 81 S HN 0.205 nan 8.310 nan 0.000 0.464 82 A N 6.824 129.769 122.820 0.207 0.000 2.366 82 A HA 0.621 4.941 4.320 -0.000 0.000 0.272 82 A C -2.336 175.376 177.584 0.212 0.000 1.135 82 A CA -1.513 50.636 52.037 0.187 0.000 0.804 82 A CB -0.050 19.057 19.000 0.178 0.000 1.064 82 A HN 0.696 nan 8.150 nan 0.000 0.499 83 P HA -0.006 nan 4.420 nan 0.000 0.271 83 P C 0.199 177.476 177.300 -0.038 0.000 1.220 83 P CA 0.095 63.235 63.100 0.066 0.000 0.768 83 P CB 0.319 32.007 31.700 -0.020 0.000 0.848 84 Y N 3.755 124.040 120.300 -0.025 0.000 2.193 84 Y HA -0.274 4.276 4.550 -0.000 0.000 0.285 84 Y C 1.803 177.675 175.900 -0.047 0.000 1.166 84 Y CA 2.069 60.116 58.100 -0.087 0.000 1.181 84 Y CB -1.565 36.808 38.460 -0.145 0.000 0.976 84 Y HN 0.331 nan 8.280 nan 0.000 0.520 85 D N 0.778 120.344 120.400 -1.389 0.000 2.178 85 D HA -0.196 4.444 4.640 -0.000 0.000 0.201 85 D C 1.774 177.862 176.300 -0.353 0.000 0.980 85 D CA 1.616 55.065 54.000 -0.918 0.000 0.842 85 D CB -0.629 39.657 40.800 -0.858 0.000 0.948 85 D HN 0.561 nan 8.370 nan 0.000 0.472 86 L N 0.142 121.220 121.223 -0.243 0.000 2.253 86 L HA 0.003 4.343 4.340 -0.000 0.000 0.205 86 L C 2.797 179.640 176.870 -0.046 0.000 1.078 86 L CA 0.129 54.910 54.840 -0.098 0.000 0.805 86 L CB -0.096 41.937 42.059 -0.042 0.000 0.963 86 L HN -0.114 nan 8.230 nan 0.000 0.459 87 V N 0.331 120.215 119.914 -0.049 0.000 2.407 87 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 87 V C 2.245 178.314 176.094 -0.042 0.000 1.055 87 V CA 1.515 63.800 62.300 -0.026 0.000 1.049 87 V CB -0.491 31.322 31.823 -0.018 0.000 0.662 87 V HN 0.401 nan 8.190 nan 0.000 0.455 88 K N 0.450 120.826 120.400 -0.040 0.000 2.525 88 K HA 0.005 4.325 4.320 -0.000 0.000 0.192 88 K C 1.835 178.425 176.600 -0.017 0.000 1.029 88 K CA 1.187 57.462 56.287 -0.020 0.000 1.029 88 K CB -0.499 32.016 32.500 0.024 0.000 0.814 88 K HN 0.708 nan 8.250 nan 0.000 0.503 89 T N -1.676 112.865 114.554 -0.022 0.000 3.107 89 T HA 0.197 4.547 4.350 -0.000 0.000 0.249 89 T C 0.874 175.583 174.700 0.015 0.000 1.096 89 T CA -0.316 61.782 62.100 -0.004 0.000 1.012 89 T CB -0.272 68.586 68.868 -0.017 0.000 0.977 89 T HN 0.248 nan 8.240 nan 0.000 0.527 90 M N -1.811 117.787 119.600 -0.003 0.000 2.880 90 M HA 0.666 5.146 4.480 -0.000 0.000 0.269 90 M C 0.369 176.626 176.300 -0.070 0.000 1.248 90 M CA -1.193 54.103 55.300 -0.007 0.000 0.821 90 M CB 1.701 34.321 32.600 0.033 0.000 1.650 90 M HN -0.232 nan 8.290 nan 0.000 0.479 91 R N 1.226 121.663 120.500 -0.106 0.000 2.100 91 R HA 0.356 4.696 4.340 -0.000 0.000 0.220 91 R C 1.926 177.988 176.300 -0.397 0.000 1.091 91 R CA 2.253 58.220 56.100 -0.222 0.000 0.986 91 R CB -0.741 29.436 30.300 -0.206 0.000 0.888 91 R HN 0.892 nan 8.270 nan 0.000 0.444 92 A N 0.345 122.979 122.820 -0.311 0.000 2.084 92 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 92 A C 2.008 179.228 177.584 -0.607 0.000 1.161 92 A CA 1.792 53.596 52.037 -0.388 0.000 0.653 92 A CB -0.913 18.254 19.000 0.279 0.000 0.802 92 A HN 0.593 nan 8.150 nan 0.000 0.457 93 S N -0.142 115.310 115.700 -0.413 0.000 2.419 93 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 93 S C 1.686 175.968 174.600 -0.530 0.000 1.019 93 S CA 1.260 59.197 58.200 -0.438 0.000 0.982 93 S CB -0.593 62.529 63.200 -0.131 0.000 0.789 93 S HN 0.488 nan 8.310 nan 0.000 0.490 94 I N 1.065 121.299 120.570 -0.559 0.000 2.454 94 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 94 I C 1.556 177.451 176.117 -0.369 0.000 1.156 94 I CA 0.562 61.566 61.300 -0.493 0.000 1.433 94 I CB -0.656 36.928 38.000 -0.692 0.000 1.082 94 I HN 0.358 nan 8.210 nan 0.000 0.432 95 W N 0.500 121.526 121.300 -0.458 0.000 2.961 95 W HA 0.119 4.779 4.660 -0.000 0.000 0.240 95 W C 2.305 178.683 176.519 -0.234 0.000 1.305 95 W CA 0.656 57.806 57.345 -0.325 0.000 1.465 95 W CB -1.244 28.041 29.460 -0.292 0.000 1.135 95 W HN 0.301 nan 8.180 nan 0.000 0.688 96 A N -0.191 122.554 122.820 -0.125 0.000 2.016 96 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 96 A C 1.978 179.683 177.584 0.201 0.000 1.162 96 A CA 0.830 52.995 52.037 0.214 0.000 0.662 96 A CB -0.537 18.610 19.000 0.246 0.000 0.812 96 A HN 0.143 nan 8.150 nan 0.000 0.450 97 L N 0.138 121.437 121.223 0.126 0.000 1.994 97 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 97 L C 2.484 179.441 176.870 0.145 0.000 1.071 97 L CA 2.352 57.270 54.840 0.131 0.000 0.745 97 L CB -1.089 41.023 42.059 0.089 0.000 0.892 97 L HN 0.310 nan 8.230 nan 0.000 0.431 98 G N -0.787 108.111 108.800 0.164 0.000 2.446 98 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 98 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 98 G C -0.687 174.284 174.900 0.119 0.000 1.168 98 G CA 0.904 46.087 45.100 0.138 0.000 0.771 98 G HN 0.369 nan 8.290 nan 0.000 0.551 99 P HA -0.012 nan 4.420 nan 0.000 0.217 99 P C 2.080 179.469 177.300 0.148 0.000 1.150 99 P CA 0.625 63.809 63.100 0.140 0.000 0.832 99 P CB -0.069 31.755 31.700 0.206 0.000 0.787 100 L N -1.160 120.198 121.223 0.224 0.000 2.017 100 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 100 L C 2.452 179.405 176.870 0.138 0.000 1.073 100 L CA 1.339 56.356 54.840 0.296 0.000 0.745 100 L CB -1.174 41.059 42.059 0.290 0.000 0.894 100 L HN -0.098 nan 8.230 nan 0.000 0.432 101 V N -0.174 119.785 119.914 0.076 0.000 2.548 101 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 101 V C 2.561 178.637 176.094 -0.030 0.000 1.055 101 V CA 1.672 63.978 62.300 0.011 0.000 1.065 101 V CB 0.048 31.884 31.823 0.022 0.000 0.681 101 V HN 0.418 nan 8.190 nan 0.000 0.462 102 A N -0.063 122.741 122.820 -0.027 0.000 1.930 102 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 102 A C 2.390 179.884 177.584 -0.151 0.000 1.175 102 A CA 1.939 53.936 52.037 -0.067 0.000 0.627 102 A CB -0.487 18.487 19.000 -0.043 0.000 0.815 102 A HN 0.579 nan 8.150 nan 0.000 0.443 103 R N -2.369 117.982 120.500 -0.249 0.000 2.128 103 R HA 0.127 4.467 4.340 -0.000 0.000 0.211 103 R C 0.757 176.636 176.300 -0.701 0.000 1.067 103 R CA 0.972 56.751 56.100 -0.535 0.000 1.010 103 R CB -0.024 29.796 30.300 -0.799 0.000 0.922 103 R HN 0.443 nan 8.270 nan 0.000 0.457 104 F N -0.978 118.863 119.950 -0.181 0.000 2.682 104 F HA 0.422 4.949 4.527 -0.000 0.000 0.308 104 F C 1.346 176.932 175.800 -0.357 0.000 1.093 104 F CA 0.361 58.152 58.000 -0.348 0.000 1.244 104 F CB 1.345 39.884 39.000 -0.769 0.000 1.052 104 F HN 0.274 nan 8.300 nan 0.000 0.573 105 G N 0.914 109.647 108.800 -0.111 0.000 2.179 105 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 105 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 105 G C 0.080 174.925 174.900 -0.093 0.000 0.977 105 G CA 0.355 45.400 45.100 -0.091 0.000 0.641 105 G HN 0.527 nan 8.290 nan 0.000 0.533 106 Q N -1.631 118.083 119.800 -0.143 0.000 2.527 106 Q HA 0.625 4.965 4.340 -0.000 0.000 0.280 106 Q C -0.566 175.412 176.000 -0.036 0.000 0.977 106 Q CA -0.597 55.154 55.803 -0.087 0.000 0.837 106 Q CB 1.607 30.301 28.738 -0.074 0.000 1.454 106 Q HN 1.570 nan 8.270 nan 0.000 0.387 107 G N 1.069 109.900 108.800 0.052 0.000 2.702 107 G HA2 0.531 4.491 3.960 -0.000 0.000 0.296 107 G HA3 0.531 4.491 3.960 -0.000 0.000 0.296 107 G C -2.004 172.951 174.900 0.091 0.000 1.463 107 G CA -0.549 44.625 45.100 0.124 0.000 0.890 107 G HN 0.391 nan 8.290 nan 0.000 0.534 108 Q N -0.370 119.488 119.800 0.097 0.000 2.304 108 Q HA 0.713 5.053 4.340 -0.000 0.000 0.270 108 Q C -0.676 175.465 176.000 0.235 0.000 1.035 108 Q CA -0.668 55.175 55.803 0.066 0.000 0.781 108 Q CB 3.071 31.661 28.738 -0.247 0.000 1.261 108 Q HN 0.537 nan 8.270 nan 0.000 0.444 109 V N 1.061 121.163 119.914 0.313 0.000 2.888 109 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 109 V C -0.381 175.831 176.094 0.197 0.000 1.114 109 V CA -0.869 61.585 62.300 0.257 0.000 0.940 109 V CB 2.447 34.326 31.823 0.094 0.000 1.021 109 V HN 0.833 nan 8.190 nan 0.000 0.426 110 S N 2.964 118.684 115.700 0.033 0.000 2.634 110 S HA 0.575 5.045 4.470 -0.000 0.000 0.261 110 S C -0.035 174.525 174.600 -0.068 0.000 1.271 110 S CA -0.572 57.559 58.200 -0.115 0.000 0.985 110 S CB 0.510 63.597 63.200 -0.188 0.000 0.968 110 S HN 0.523 nan 8.310 nan 0.000 0.568 111 L N 3.353 124.531 121.223 -0.076 0.000 2.453 111 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 111 L C -1.666 175.151 176.870 -0.088 0.000 1.182 111 L CA -1.398 53.395 54.840 -0.080 0.000 0.858 111 L CB 0.050 42.071 42.059 -0.062 0.000 1.120 111 L HN 0.421 nan 8.230 nan 0.000 0.474 112 P HA 0.152 nan 4.420 nan 0.000 0.275 112 P C -0.246 177.001 177.300 -0.089 0.000 1.266 112 P CA -0.303 62.721 63.100 -0.127 0.000 0.793 112 P CB 1.144 32.719 31.700 -0.209 0.000 1.074 113 G N -1.624 107.131 108.800 -0.074 0.000 3.134 113 G HA2 0.642 4.602 3.960 -0.000 0.000 0.158 113 G HA3 0.642 4.602 3.960 -0.000 0.000 0.158 113 G C 0.108 174.975 174.900 -0.055 0.000 1.334 113 G CA -0.328 44.746 45.100 -0.044 0.000 1.001 113 G HN 0.864 nan 8.290 nan 0.000 0.600 117 I N -2.066 118.389 120.570 -0.191 0.000 3.817 117 I HA 0.692 4.862 4.170 -0.000 0.000 0.325 117 I C 0.383 176.436 176.117 -0.107 0.000 1.550 117 I CA 0.006 61.185 61.300 -0.201 0.000 1.100 117 I CB 0.802 38.578 38.000 -0.374 0.000 1.216 117 I HN 0.837 nan 8.210 nan 0.000 0.481 118 G N 0.473 109.248 108.800 -0.042 0.000 2.320 118 G HA2 0.414 4.374 3.960 -0.000 0.000 0.297 118 G HA3 0.414 4.374 3.960 -0.000 0.000 0.297 118 G C 0.046 174.971 174.900 0.041 0.000 1.344 118 G CA -0.182 44.953 45.100 0.058 0.000 0.851 118 G HN 0.040 nan 8.290 nan 0.000 0.567 119 A N -0.524 122.328 122.820 0.054 0.000 2.014 119 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 119 A C 1.478 179.085 177.584 0.038 0.000 1.163 119 A CA 1.603 53.660 52.037 0.032 0.000 0.652 119 A CB -0.541 18.474 19.000 0.026 0.000 0.808 119 A HN 1.325 nan 8.150 nan 0.000 0.449 120 R N -0.774 119.776 120.500 0.083 0.000 3.022 120 R HA -0.129 4.211 4.340 -0.000 0.000 0.248 120 R C -2.261 174.060 176.300 0.035 0.000 0.874 120 R CA 0.440 56.595 56.100 0.092 0.000 0.626 120 R CB -1.869 28.476 30.300 0.075 0.000 1.255 120 R HN 0.550 nan 8.270 nan 0.000 0.496 121 P HA 0.099 nan 4.420 nan 0.000 0.275 121 P C 0.561 177.877 177.300 0.027 0.000 1.266 121 P CA -0.192 62.919 63.100 0.018 0.000 0.793 121 P CB 0.760 32.474 31.700 0.022 0.000 1.074 122 V N -3.631 116.294 119.914 0.019 0.000 3.078 122 V HA 0.108 4.228 4.120 -0.000 0.000 0.344 122 V C 1.337 177.518 176.094 0.144 0.000 1.409 122 V CA 0.108 62.437 62.300 0.048 0.000 1.146 122 V CB -0.532 31.184 31.823 -0.179 0.000 1.126 122 V HN 0.507 nan 8.190 nan 0.000 0.513 123 D N 1.330 121.795 120.400 0.109 0.000 2.182 123 D HA -0.236 4.404 4.640 -0.000 0.000 0.201 123 D C 1.710 178.106 176.300 0.160 0.000 0.986 123 D CA 1.449 55.515 54.000 0.110 0.000 0.847 123 D CB 0.039 40.874 40.800 0.058 0.000 0.942 123 D HN 0.548 nan 8.370 nan 0.000 0.467 124 L N -0.167 121.149 121.223 0.154 0.000 2.240 124 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 124 L C 2.712 179.703 176.870 0.201 0.000 1.106 124 L CA 0.661 55.580 54.840 0.131 0.000 0.793 124 L CB -0.522 41.544 42.059 0.012 0.000 0.927 124 L HN 0.102 nan 8.230 nan 0.000 0.446 125 H N -0.130 119.014 119.070 0.124 0.000 2.363 125 H HA -0.076 4.480 4.556 -0.000 0.000 0.301 125 H C 2.436 177.835 175.328 0.119 0.000 1.074 125 H CA 1.472 57.591 56.048 0.118 0.000 1.354 125 H CB 0.252 30.055 29.762 0.068 0.000 1.397 125 H HN 0.310 nan 8.280 nan 0.000 0.516 126 I N 0.530 121.254 120.570 0.257 0.000 2.179 126 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 126 I C 2.552 178.771 176.117 0.171 0.000 1.088 126 I CA 1.171 62.574 61.300 0.171 0.000 1.357 126 I CB -0.363 37.721 38.000 0.139 0.000 1.051 126 I HN 0.078 nan 8.210 nan 0.000 0.409 127 F N 1.831 121.815 119.950 0.057 0.000 2.065 127 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 127 F C 2.294 178.113 175.800 0.032 0.000 1.112 127 F CA 1.998 60.019 58.000 0.035 0.000 1.212 127 F CB -0.929 38.086 39.000 0.025 0.000 0.975 127 F HN 0.007 nan 8.300 nan 0.000 0.476 128 G N 0.633 109.474 108.800 0.067 0.000 2.418 128 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 128 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 128 G C 1.771 176.614 174.900 -0.095 0.000 1.158 128 G CA 1.037 46.090 45.100 -0.079 0.000 0.771 128 G HN 0.457 nan 8.290 nan 0.000 0.545 129 L N 0.058 121.276 121.223 -0.008 0.000 2.093 129 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 129 L C 2.874 179.715 176.870 -0.049 0.000 1.085 129 L CA 1.092 55.929 54.840 -0.005 0.000 0.755 129 L CB -0.399 41.687 42.059 0.045 0.000 0.904 129 L HN 0.302 nan 8.230 nan 0.000 0.435 130 E N -0.067 120.090 120.200 -0.071 0.000 2.110 130 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 130 E C 2.074 178.587 176.600 -0.145 0.000 0.988 130 E CA 0.747 57.095 56.400 -0.087 0.000 0.804 130 E CB 0.074 29.729 29.700 -0.075 0.000 0.745 130 E HN 0.273 nan 8.360 nan 0.000 0.458 131 K N 0.533 120.779 120.400 -0.257 0.000 2.211 131 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 131 K C 1.861 178.376 176.600 -0.142 0.000 1.050 131 K CA 0.677 56.806 56.287 -0.263 0.000 0.945 131 K CB -0.056 32.187 32.500 -0.429 0.000 0.732 131 K HN 0.231 nan 8.250 nan 0.000 0.451 132 L N -0.316 120.842 121.223 -0.108 0.000 2.591 132 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 132 L C 1.089 177.929 176.870 -0.051 0.000 1.133 132 L CA 0.448 55.249 54.840 -0.065 0.000 0.880 132 L CB -0.082 41.950 42.059 -0.046 0.000 1.033 132 L HN 0.364 nan 8.230 nan 0.000 0.450 133 G N -0.407 108.359 108.800 -0.056 0.000 2.179 133 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 133 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 133 G C 0.351 175.233 174.900 -0.031 0.000 0.990 133 G CA -0.118 44.958 45.100 -0.041 0.000 0.646 133 G HN 0.442 nan 8.290 nan 0.000 0.517 134 A N 0.216 123.019 122.820 -0.028 0.000 2.340 134 A HA 0.643 4.963 4.320 -0.000 0.000 0.268 134 A C 0.446 178.024 177.584 -0.009 0.000 1.100 134 A CA 0.512 52.540 52.037 -0.014 0.000 0.803 134 A CB 0.562 19.561 19.000 -0.003 0.000 1.043 134 A HN 0.671 nan 8.150 nan 0.000 0.488 135 E N 1.846 122.045 120.200 -0.002 0.000 2.259 135 E HA 0.414 4.764 4.350 -0.000 0.000 0.281 135 E C -1.142 175.467 176.600 0.015 0.000 1.027 135 E CA -0.429 55.974 56.400 0.004 0.000 0.838 135 E CB 0.507 30.210 29.700 0.004 0.000 1.066 135 E HN 0.459 nan 8.360 nan 0.000 0.401 136 I N 4.860 125.443 120.570 0.022 0.000 2.436 136 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 136 I C -0.396 175.742 176.117 0.036 0.000 1.010 136 I CA -0.708 60.612 61.300 0.034 0.000 1.098 136 I CB 1.457 39.484 38.000 0.045 0.000 1.266 136 I HN 0.596 nan 8.210 nan 0.000 0.434 137 K N 6.431 126.855 120.400 0.040 0.000 2.464 137 K HA 0.723 5.042 4.320 -0.000 0.000 0.253 137 K C -1.568 175.065 176.600 0.055 0.000 0.933 137 K CA -0.895 55.417 56.287 0.041 0.000 0.801 137 K CB 2.467 34.987 32.500 0.033 0.000 1.271 137 K HN 0.382 nan 8.250 nan 0.000 0.430 138 L N 2.520 123.774 121.223 0.053 0.000 2.262 138 L HA 0.434 4.774 4.340 -0.000 0.000 0.288 138 L C -0.662 176.246 176.870 0.063 0.000 1.035 138 L CA -0.296 54.581 54.840 0.061 0.000 0.820 138 L CB 0.795 42.881 42.059 0.045 0.000 1.204 138 L HN 0.721 nan 8.230 nan 0.000 0.424 139 E N 2.453 122.708 120.200 0.091 0.000 2.343 139 E HA 0.243 4.593 4.350 -0.000 0.000 0.278 139 E C -0.822 175.864 176.600 0.143 0.000 0.910 139 E CA -0.847 55.606 56.400 0.089 0.000 0.757 139 E CB 2.075 31.817 29.700 0.071 0.000 1.218 139 E HN 0.490 nan 8.360 nan 0.000 0.435 140 E N 0.569 120.834 120.200 0.107 0.000 2.440 140 E HA -0.312 4.038 4.350 -0.000 0.000 0.246 140 E C 0.603 177.262 176.600 0.098 0.000 1.165 140 E CA 0.539 57.017 56.400 0.129 0.000 0.726 140 E CB -1.466 28.367 29.700 0.222 0.000 1.271 140 E HN 1.040 nan 8.360 nan 0.000 0.397 141 G N -1.341 107.474 108.800 0.024 0.000 2.168 141 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 141 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 141 G C -0.131 174.697 174.900 -0.120 0.000 0.977 141 G CA 0.909 45.962 45.100 -0.079 0.000 0.659 141 G HN 0.398 nan 8.290 nan 0.000 0.533 142 Y N -1.372 118.936 120.300 0.014 0.000 2.528 142 Y HA 0.592 5.142 4.550 -0.000 0.000 0.335 142 Y C 0.482 176.391 175.900 0.016 0.000 1.093 142 Y CA -1.062 57.050 58.100 0.021 0.000 1.134 142 Y CB 2.182 40.661 38.460 0.032 0.000 1.253 142 Y HN 0.025 nan 8.280 nan 0.000 0.478 143 V N 3.412 123.454 119.914 0.213 0.000 2.333 143 V HA 0.298 4.418 4.120 -0.000 0.000 0.274 143 V C -0.617 175.555 176.094 0.130 0.000 1.028 143 V CA -1.086 61.286 62.300 0.121 0.000 0.851 143 V CB 0.658 32.522 31.823 0.068 0.000 1.000 143 V HN 0.610 nan 8.190 nan 0.000 0.456 144 K N 3.980 124.437 120.400 0.094 0.000 2.235 144 K HA 0.803 5.123 4.320 -0.000 0.000 0.266 144 K C -0.315 176.312 176.600 0.045 0.000 0.980 144 K CA -0.292 56.029 56.287 0.056 0.000 0.849 144 K CB 2.162 34.678 32.500 0.026 0.000 1.098 144 K HN 0.722 nan 8.250 nan 0.000 0.445 145 A N 1.867 124.713 122.820 0.043 0.000 2.350 145 A HA 0.717 5.037 4.320 -0.000 0.000 0.324 145 A C -0.651 176.944 177.584 0.018 0.000 1.118 145 A CA -0.604 51.454 52.037 0.035 0.000 0.783 145 A CB 1.106 20.134 19.000 0.047 0.000 1.236 145 A HN 0.713 nan 8.150 nan 0.000 0.457 146 S N 0.071 115.776 115.700 0.008 0.000 2.570 146 S HA 0.795 5.265 4.470 -0.000 0.000 0.270 146 S C -1.256 173.338 174.600 -0.010 0.000 1.149 146 S CA -0.521 57.676 58.200 -0.005 0.000 0.837 146 S CB 1.324 64.522 63.200 -0.004 0.000 1.124 146 S HN 2.099 nan 8.310 nan 0.000 0.465 147 V N 1.114 121.017 119.914 -0.019 0.000 3.077 147 V HA 0.537 4.657 4.120 -0.000 0.000 0.299 147 V C -1.967 174.113 176.094 -0.023 0.000 1.276 147 V CA -0.786 61.502 62.300 -0.020 0.000 0.993 147 V CB 2.324 34.132 31.823 -0.025 0.000 1.076 147 V HN 1.018 nan 8.190 nan 0.000 0.434 148 N N 4.219 122.908 118.700 -0.019 0.000 2.527 148 N HA 0.636 5.376 4.740 -0.000 0.000 0.236 148 N C 0.268 175.766 175.510 -0.020 0.000 0.999 148 N CA 0.823 53.862 53.050 -0.017 0.000 0.935 148 N CB 1.358 39.839 38.487 -0.011 0.000 1.132 148 N HN 1.421 nan 8.380 nan 0.000 0.511 149 G N 1.666 110.450 108.800 -0.025 0.000 2.512 149 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.210 149 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.210 149 G C -0.621 174.256 174.900 -0.038 0.000 1.295 149 G CA -0.851 44.231 45.100 -0.029 0.000 0.934 149 G HN 0.475 nan 8.290 nan 0.000 0.554 150 R N -0.440 120.037 120.500 -0.039 0.000 2.615 150 R HA 0.472 4.812 4.340 -0.000 0.000 0.270 150 R C 0.922 177.197 176.300 -0.040 0.000 1.081 150 R CA -0.449 55.623 56.100 -0.046 0.000 1.154 150 R CB 0.218 30.491 30.300 -0.045 0.000 1.063 150 R HN 0.496 nan 8.270 nan 0.000 0.519 151 L N 1.313 122.510 121.223 -0.043 0.000 2.472 151 L HA 0.183 4.523 4.340 -0.000 0.000 0.260 151 L C 0.425 177.273 176.870 -0.037 0.000 1.209 151 L CA -0.070 54.747 54.840 -0.038 0.000 0.817 151 L CB 0.130 42.167 42.059 -0.037 0.000 1.106 151 L HN 0.323 nan 8.230 nan 0.000 0.479 152 K N 0.188 120.567 120.400 -0.035 0.000 2.345 152 K HA 0.450 4.770 4.320 -0.000 0.000 0.255 152 K C -0.288 176.292 176.600 -0.034 0.000 0.934 152 K CA -0.362 55.905 56.287 -0.033 0.000 0.801 152 K CB 1.809 34.292 32.500 -0.029 0.000 1.137 152 K HN 0.568 nan 8.250 nan 0.000 0.424 153 G N 1.801 110.581 108.800 -0.032 0.000 2.491 153 G HA2 0.460 4.420 3.960 -0.000 0.000 0.238 153 G HA3 0.460 4.420 3.960 -0.000 0.000 0.238 153 G C -0.805 174.079 174.900 -0.026 0.000 1.277 153 G CA 0.184 45.265 45.100 -0.033 0.000 0.851 153 G HN 0.715 nan 8.290 nan 0.000 0.573 154 A N 1.207 124.015 122.820 -0.020 0.000 2.594 154 A HA 0.667 4.987 4.320 -0.000 0.000 0.291 154 A C -0.971 176.643 177.584 0.050 0.000 1.105 154 A CA -0.748 51.292 52.037 0.005 0.000 0.694 154 A CB 1.108 20.096 19.000 -0.021 0.000 1.291 154 A HN 0.926 nan 8.150 nan 0.000 0.410 155 H N 0.853 119.909 119.070 -0.023 0.000 2.741 155 H HA 0.576 5.132 4.556 -0.000 0.000 0.282 155 H C -0.928 174.400 175.328 0.001 0.000 1.122 155 H CA -0.423 55.621 56.048 -0.006 0.000 1.293 155 H CB 0.134 29.895 29.762 -0.000 0.000 1.415 155 H HN 0.459 nan 8.280 nan 0.000 0.472 156 I N 6.365 127.069 120.570 0.224 0.000 2.312 156 I HA 0.134 4.304 4.170 -0.000 0.000 0.290 156 I C -0.470 175.769 176.117 0.203 0.000 1.008 156 I CA -0.863 60.525 61.300 0.146 0.000 1.226 156 I CB 1.643 39.691 38.000 0.081 0.000 1.371 156 I HN 0.318 nan 8.210 nan 0.000 0.468 157 V N 7.091 127.132 119.914 0.212 0.000 2.333 157 V HA 0.305 4.425 4.120 -0.000 0.000 0.274 157 V C 0.421 176.620 176.094 0.174 0.000 1.028 157 V CA -0.617 61.772 62.300 0.149 0.000 0.851 157 V CB 1.246 33.101 31.823 0.053 0.000 1.000 157 V HN 0.597 nan 8.190 nan 0.000 0.456 158 M N 3.197 122.858 119.600 0.102 0.000 2.188 158 M HA 0.184 4.664 4.480 -0.000 0.000 0.354 158 M C 1.030 177.276 176.300 -0.091 0.000 1.342 158 M CA -0.106 55.194 55.300 -0.001 0.000 1.117 158 M CB 0.143 32.754 32.600 0.019 0.000 1.670 158 M HN 0.653 nan 8.290 nan 0.000 0.466 159 D N 2.619 122.890 120.400 -0.215 0.000 2.317 159 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 159 D C -0.285 175.937 176.300 -0.129 0.000 0.966 159 D CA 1.224 55.118 54.000 -0.178 0.000 0.876 159 D CB 0.652 41.302 40.800 -0.251 0.000 0.927 159 D HN 0.519 nan 8.370 nan 0.000 0.519 160 K N -0.830 119.495 120.400 -0.126 0.000 2.512 160 K HA 0.418 4.738 4.320 -0.000 0.000 0.263 160 K C -1.332 175.226 176.600 -0.070 0.000 0.966 160 K CA -1.022 55.209 56.287 -0.093 0.000 0.851 160 K CB 2.876 35.316 32.500 -0.100 0.000 1.395 160 K HN -0.336 nan 8.250 nan 0.000 0.440 161 V N 1.631 121.510 119.914 -0.058 0.000 2.455 161 V HA 0.219 4.339 4.120 -0.000 0.000 0.273 161 V C -0.198 175.871 176.094 -0.042 0.000 1.045 161 V CA 0.002 62.278 62.300 -0.039 0.000 0.976 161 V CB 1.003 32.807 31.823 -0.031 0.000 0.993 161 V HN 0.724 nan 8.190 nan 0.000 0.475 162 S N 3.923 119.609 115.700 -0.023 0.000 2.733 162 S HA 0.392 4.862 4.470 -0.000 0.000 0.294 162 S C 0.511 175.127 174.600 0.027 0.000 1.149 162 S CA -0.590 57.603 58.200 -0.011 0.000 1.034 162 S CB 1.811 64.990 63.200 -0.035 0.000 1.015 162 S HN 0.338 nan 8.310 nan 0.000 0.486 163 V N 5.407 125.365 119.914 0.072 0.000 2.261 163 V HA -0.051 4.069 4.120 -0.000 0.000 0.246 163 V C 2.694 178.922 176.094 0.223 0.000 1.047 163 V CA 2.656 65.034 62.300 0.130 0.000 1.015 163 V CB -1.221 30.703 31.823 0.167 0.000 0.642 163 V HN 0.947 nan 8.190 nan 0.000 0.446 164 G N -0.552 108.423 108.800 0.291 0.000 2.446 164 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 164 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 164 G C 1.744 176.737 174.900 0.154 0.000 1.168 164 G CA 1.132 46.524 45.100 0.487 0.000 0.771 164 G HN 0.633 nan 8.290 nan 0.000 0.551 165 A N -0.029 122.571 122.820 -0.367 0.000 1.969 165 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 165 A C 2.512 180.027 177.584 -0.115 0.000 1.169 165 A CA 2.314 54.017 52.037 -0.556 0.000 0.635 165 A CB -0.788 17.980 19.000 -0.387 0.000 0.810 165 A HN 0.296 nan 8.150 nan 0.000 0.445 166 T N -0.281 114.262 114.554 -0.019 0.000 2.708 166 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 166 T C 1.894 176.606 174.700 0.020 0.000 1.037 166 T CA 1.633 63.742 62.100 0.015 0.000 1.146 166 T CB -0.407 68.474 68.868 0.022 0.000 0.865 166 T HN 0.158 nan 8.240 nan 0.000 0.435 167 V N 1.366 121.308 119.914 0.046 0.000 2.295 167 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 167 V C 2.801 178.898 176.094 0.005 0.000 1.049 167 V CA 2.053 64.317 62.300 -0.061 0.000 1.024 167 V CB -1.148 30.488 31.823 -0.311 0.000 0.648 167 V HN 0.513 nan 8.190 nan 0.000 0.447 168 T N 0.305 114.977 114.554 0.196 0.000 2.652 168 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 168 T C 1.774 176.543 174.700 0.116 0.000 1.039 168 T CA 2.095 64.347 62.100 0.253 0.000 1.153 168 T CB -0.305 68.782 68.868 0.365 0.000 0.863 168 T HN 0.363 nan 8.240 nan 0.000 0.428 169 I N 0.612 121.223 120.570 0.068 0.000 2.202 169 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 169 I C 2.583 178.711 176.117 0.018 0.000 1.091 169 I CA 1.248 62.571 61.300 0.039 0.000 1.368 169 I CB -0.401 37.620 38.000 0.035 0.000 1.058 169 I HN 0.263 nan 8.210 nan 0.000 0.410 170 M N 0.461 120.065 119.600 0.006 0.000 2.117 170 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 170 M C 2.433 178.722 176.300 -0.019 0.000 1.065 170 M CA 1.930 57.222 55.300 -0.014 0.000 1.114 170 M CB -0.023 32.561 32.600 -0.027 0.000 1.361 170 M HN 0.124 nan 8.290 nan 0.000 0.408 171 S N 0.868 116.560 115.700 -0.013 0.000 2.356 171 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 171 S C 2.053 176.655 174.600 0.004 0.000 1.032 171 S CA 1.361 59.557 58.200 -0.006 0.000 1.005 171 S CB -0.607 62.597 63.200 0.006 0.000 0.867 171 S HN 0.698 nan 8.310 nan 0.000 0.449 172 A N 1.529 124.362 122.820 0.021 0.000 1.933 172 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 172 A C 2.312 179.888 177.584 -0.014 0.000 1.175 172 A CA 1.598 53.642 52.037 0.012 0.000 0.628 172 A CB -0.993 18.025 19.000 0.029 0.000 0.814 172 A HN 0.516 nan 8.150 nan 0.000 0.444 173 A N -0.040 122.770 122.820 -0.015 0.000 2.070 173 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 173 A C 2.324 179.885 177.584 -0.038 0.000 1.159 173 A CA 2.267 54.287 52.037 -0.027 0.000 0.656 173 A CB -1.391 17.594 19.000 -0.025 0.000 0.800 173 A HN 0.819 nan 8.150 nan 0.000 0.453 174 T N -2.101 112.428 114.554 -0.041 0.000 2.929 174 T HA -0.025 4.325 4.350 -0.000 0.000 0.271 174 T C 1.264 175.928 174.700 -0.059 0.000 1.085 174 T CA 1.488 63.556 62.100 -0.054 0.000 1.125 174 T CB -0.338 68.493 68.868 -0.062 0.000 0.874 174 T HN 0.347 nan 8.240 nan 0.000 0.494 175 L N 0.237 121.424 121.223 -0.060 0.000 2.808 175 L HA 0.549 4.889 4.340 -0.000 0.000 0.246 175 L C 1.309 178.142 176.870 -0.062 0.000 1.153 175 L CA -0.553 54.245 54.840 -0.069 0.000 0.956 175 L CB -0.179 41.826 42.059 -0.091 0.000 1.270 175 L HN 0.274 nan 8.230 nan 0.000 0.528 176 A N 0.559 123.348 122.820 -0.051 0.000 2.313 176 A HA 0.199 4.519 4.320 -0.000 0.000 0.261 176 A C 0.194 177.752 177.584 -0.044 0.000 1.090 176 A CA -0.204 51.806 52.037 -0.045 0.000 0.807 176 A CB 0.373 19.349 19.000 -0.040 0.000 1.055 176 A HN 0.278 nan 8.150 nan 0.000 0.492 177 E N 0.308 120.485 120.200 -0.040 0.000 2.194 177 E HA 0.453 4.803 4.350 -0.000 0.000 0.284 177 E C 0.592 177.172 176.600 -0.034 0.000 1.035 177 E CA 0.616 56.994 56.400 -0.036 0.000 0.836 177 E CB 0.123 29.803 29.700 -0.032 0.000 1.070 177 E HN 1.500 nan 8.360 nan 0.000 0.401 178 G N 3.120 111.899 108.800 -0.034 0.000 2.627 178 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 178 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 178 G C -0.520 174.357 174.900 -0.039 0.000 1.331 178 G CA -0.369 44.710 45.100 -0.034 0.000 0.891 178 G HN 0.560 nan 8.290 nan 0.000 0.539 179 T N 1.170 115.698 114.554 -0.043 0.000 2.795 179 T HA 0.665 5.015 4.350 -0.000 0.000 0.282 179 T C 0.110 174.775 174.700 -0.059 0.000 0.980 179 T CA 0.327 62.395 62.100 -0.053 0.000 1.012 179 T CB 1.497 70.328 68.868 -0.061 0.000 0.936 179 T HN 0.740 nan 8.240 nan 0.000 0.457 180 T N 3.624 118.143 114.554 -0.059 0.000 2.823 180 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 180 T C -0.253 174.403 174.700 -0.074 0.000 0.998 180 T CA -0.492 61.575 62.100 -0.054 0.000 0.994 180 T CB 0.563 69.410 68.868 -0.034 0.000 0.960 180 T HN 0.417 nan 8.240 nan 0.000 0.448 181 I N 3.904 124.419 120.570 -0.093 0.000 2.410 181 I HA 0.428 4.598 4.170 -0.000 0.000 0.286 181 I C -0.500 175.631 176.117 0.023 0.000 1.009 181 I CA -0.704 60.528 61.300 -0.113 0.000 1.111 181 I CB 1.513 39.283 38.000 -0.383 0.000 1.262 181 I HN 0.462 nan 8.210 nan 0.000 0.443 182 I N 6.199 126.791 120.570 0.035 0.000 2.304 182 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 182 I C 0.148 176.318 176.117 0.089 0.000 1.018 182 I CA -0.510 60.836 61.300 0.077 0.000 1.260 182 I CB 0.717 38.746 38.000 0.049 0.000 1.390 182 I HN 0.467 nan 8.210 nan 0.000 0.475 183 E N 5.825 126.101 120.200 0.127 0.000 2.242 183 E HA 0.155 4.505 4.350 -0.000 0.000 0.275 183 E C 0.047 176.686 176.600 0.065 0.000 1.002 183 E CA -0.531 55.931 56.400 0.102 0.000 0.841 183 E CB 1.483 31.254 29.700 0.118 0.000 1.109 183 E HN 0.650 nan 8.360 nan 0.000 0.394 184 N N 0.366 119.091 118.700 0.042 0.000 2.758 184 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 184 N C -0.780 174.743 175.510 0.023 0.000 1.076 184 N CA 0.131 53.195 53.050 0.022 0.000 0.696 184 N CB -0.427 38.064 38.487 0.008 0.000 0.979 184 N HN 0.558 nan 8.380 nan 0.000 0.550 185 A N 0.401 123.239 122.820 0.030 0.000 2.407 185 A HA 0.643 4.963 4.320 -0.000 0.000 0.248 185 A C 0.844 178.442 177.584 0.024 0.000 1.082 185 A CA 0.359 52.413 52.037 0.028 0.000 0.785 185 A CB 0.698 19.714 19.000 0.027 0.000 1.020 185 A HN 0.597 nan 8.150 nan 0.000 0.489 186 A N 1.253 124.089 122.820 0.025 0.000 2.407 186 A HA 0.444 4.764 4.320 -0.000 0.000 0.248 186 A C 0.921 178.531 177.584 0.043 0.000 1.082 186 A CA -0.228 51.830 52.037 0.034 0.000 0.785 186 A CB 0.060 19.083 19.000 0.038 0.000 1.020 186 A HN 0.845 nan 8.150 nan 0.000 0.489 187 R N 0.473 121.015 120.500 0.070 0.000 2.397 187 R HA 0.099 4.439 4.340 -0.000 0.000 0.241 187 R C -0.484 175.886 176.300 0.117 0.000 0.914 187 R CA -0.225 55.934 56.100 0.100 0.000 1.071 187 R CB 0.192 30.566 30.300 0.122 0.000 1.116 187 R HN 0.776 nan 8.270 nan 0.000 0.524 188 E N 1.469 121.696 120.200 0.045 0.000 2.508 188 E HA -0.090 4.260 4.350 -0.000 0.000 0.266 188 E C -1.684 174.796 176.600 -0.199 0.000 1.010 188 E CA -0.775 55.539 56.400 -0.143 0.000 0.955 188 E CB 0.428 30.082 29.700 -0.077 0.000 0.946 188 E HN -0.091 nan 8.360 nan 0.000 0.454 189 P HA -0.155 nan 4.420 nan 0.000 0.218 189 P C 0.302 177.537 177.300 -0.109 0.000 1.148 189 P CA 1.159 64.135 63.100 -0.207 0.000 0.822 189 P CB 0.290 31.844 31.700 -0.244 0.000 0.784 190 E N -0.928 119.207 120.200 -0.109 0.000 2.204 190 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 190 E C 1.895 178.444 176.600 -0.085 0.000 0.989 190 E CA 0.778 57.131 56.400 -0.077 0.000 0.824 190 E CB -0.870 28.793 29.700 -0.061 0.000 0.756 190 E HN 0.294 nan 8.360 nan 0.000 0.477 191 I N -0.259 120.267 120.570 -0.073 0.000 2.286 191 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 191 I C 1.955 178.041 176.117 -0.052 0.000 1.104 191 I CA 0.561 61.821 61.300 -0.067 0.000 1.397 191 I CB -0.120 37.859 38.000 -0.035 0.000 1.072 191 I HN 0.005 nan 8.210 nan 0.000 0.417 192 V N 0.716 120.610 119.914 -0.033 0.000 2.295 192 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 192 V C 2.154 178.250 176.094 0.003 0.000 1.049 192 V CA 2.263 64.557 62.300 -0.009 0.000 1.024 192 V CB -0.600 31.226 31.823 0.005 0.000 0.648 192 V HN 0.404 nan 8.190 nan 0.000 0.447 193 D N -0.261 120.145 120.400 0.011 0.000 2.104 193 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 193 D C 2.279 178.541 176.300 -0.062 0.000 0.994 193 D CA 1.864 55.902 54.000 0.064 0.000 0.830 193 D CB -0.165 40.682 40.800 0.078 0.000 0.959 193 D HN 0.400 nan 8.370 nan 0.000 0.452 194 T N -0.304 114.189 114.554 -0.101 0.000 2.746 194 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 194 T C 1.919 176.568 174.700 -0.085 0.000 1.039 194 T CA 1.418 63.440 62.100 -0.130 0.000 1.142 194 T CB -0.453 68.305 68.868 -0.182 0.000 0.866 194 T HN 0.219 nan 8.240 nan 0.000 0.444 195 A N 2.596 125.368 122.820 -0.080 0.000 1.883 195 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 195 A C 2.223 179.751 177.584 -0.094 0.000 1.186 195 A CA 1.631 53.626 52.037 -0.071 0.000 0.624 195 A CB -0.648 18.324 19.000 -0.046 0.000 0.822 195 A HN 0.395 nan 8.150 nan 0.000 0.444 196 N N -1.172 117.476 118.700 -0.086 0.000 2.309 196 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 196 N C 1.336 176.675 175.510 -0.285 0.000 1.018 196 N CA 1.308 54.315 53.050 -0.071 0.000 0.876 196 N CB -0.554 38.002 38.487 0.114 0.000 0.972 196 N HN 0.592 nan 8.380 nan 0.000 0.434 197 F N 1.576 121.054 119.950 -0.787 0.000 2.113 197 F HA 0.023 4.550 4.527 -0.000 0.000 0.297 197 F C 1.959 177.522 175.800 -0.395 0.000 1.103 197 F CA 0.875 58.286 58.000 -0.982 0.000 1.248 197 F CB -0.418 38.018 39.000 -0.941 0.000 0.999 197 F HN -0.108 nan 8.300 nan 0.000 0.475 198 L N -0.311 120.685 121.223 -0.379 0.000 2.042 198 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 198 L C 2.401 179.081 176.870 -0.317 0.000 1.076 198 L CA 1.143 55.762 54.840 -0.367 0.000 0.749 198 L CB -0.821 41.147 42.059 -0.153 0.000 0.893 198 L HN 0.045 nan 8.230 nan 0.000 0.432 199 V N -0.095 119.685 119.914 -0.223 0.000 2.407 199 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 199 V C 2.680 178.678 176.094 -0.159 0.000 1.055 199 V CA 1.677 63.887 62.300 -0.150 0.000 1.049 199 V CB -0.848 30.924 31.823 -0.085 0.000 0.662 199 V HN 0.496 nan 8.190 nan 0.000 0.455 200 A N -0.352 122.347 122.820 -0.201 0.000 2.019 200 A HA -0.080 4.239 4.320 -0.000 0.000 0.219 200 A C 2.060 179.521 177.584 -0.206 0.000 1.164 200 A CA 1.379 53.331 52.037 -0.142 0.000 0.644 200 A CB -0.428 18.541 19.000 -0.052 0.000 0.805 200 A HN 0.552 nan 8.150 nan 0.000 0.449 201 L N -1.872 119.148 121.223 -0.338 0.000 2.558 201 L HA 0.220 4.560 4.340 -0.000 0.000 0.225 201 L C 1.629 178.392 176.870 -0.177 0.000 1.128 201 L CA 0.615 55.282 54.840 -0.287 0.000 0.868 201 L CB -0.040 41.774 42.059 -0.407 0.000 1.006 201 L HN 0.569 nan 8.230 nan 0.000 0.454 202 G N -0.546 108.162 108.800 -0.153 0.000 2.205 202 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.180 202 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.180 202 G C 0.359 175.199 174.900 -0.100 0.000 1.004 202 G CA -0.187 44.850 45.100 -0.105 0.000 0.670 202 G HN 0.391 nan 8.290 nan 0.000 0.496 203 A N 0.077 122.823 122.820 -0.122 0.000 2.346 203 A HA 0.679 4.999 4.320 -0.000 0.000 0.252 203 A C 0.395 177.931 177.584 -0.080 0.000 1.089 203 A CA 0.416 52.392 52.037 -0.100 0.000 0.797 203 A CB 0.371 19.303 19.000 -0.113 0.000 1.047 203 A HN 0.349 nan 8.150 nan 0.000 0.494 204 K N 0.924 121.284 120.400 -0.066 0.000 2.464 204 K HA 0.577 4.897 4.320 -0.000 0.000 0.252 204 K C -1.494 175.076 176.600 -0.050 0.000 1.000 204 K CA 0.311 56.566 56.287 -0.053 0.000 0.951 204 K CB 1.083 33.555 32.500 -0.047 0.000 1.183 204 K HN 0.579 nan 8.250 nan 0.000 0.445 205 I N 1.688 122.229 120.570 -0.048 0.000 2.569 205 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 205 I C -0.382 175.716 176.117 -0.032 0.000 1.088 205 I CA -0.707 60.568 61.300 -0.042 0.000 1.047 205 I CB 2.270 40.242 38.000 -0.047 0.000 1.237 205 I HN 0.529 nan 8.210 nan 0.000 0.421 206 S N 2.435 118.118 115.700 -0.028 0.000 2.595 206 S HA 0.852 5.322 4.470 -0.000 0.000 0.281 206 S C 0.321 174.911 174.600 -0.016 0.000 1.117 206 S CA -0.037 58.150 58.200 -0.020 0.000 0.873 206 S CB 2.073 65.261 63.200 -0.021 0.000 1.108 206 S HN 1.311 nan 8.310 nan 0.000 0.477 207 G N 0.690 109.484 108.800 -0.009 0.000 2.195 207 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.246 207 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.246 207 G C 0.099 175.000 174.900 0.001 0.000 0.984 207 G CA 0.101 45.199 45.100 -0.004 0.000 0.633 207 G HN 1.218 nan 8.290 nan 0.000 0.525 208 Q N 0.353 120.152 119.800 -0.002 0.000 2.315 208 Q HA 0.395 4.735 4.340 -0.000 0.000 0.289 208 Q C 1.201 177.209 176.000 0.013 0.000 1.044 208 Q CA 1.024 56.827 55.803 0.001 0.000 0.920 208 Q CB 0.922 29.656 28.738 -0.007 0.000 1.214 208 Q HN 1.814 nan 8.270 nan 0.000 0.392 209 G N 2.030 110.844 108.800 0.022 0.000 2.213 209 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.226 209 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.226 209 G C 0.255 175.182 174.900 0.044 0.000 0.992 209 G CA 0.322 45.447 45.100 0.042 0.000 0.632 209 G HN 1.148 nan 8.290 nan 0.000 0.511 210 T N -1.623 112.948 114.554 0.028 0.000 2.938 210 T HA 0.553 4.903 4.350 -0.000 0.000 0.285 210 T C 0.950 175.664 174.700 0.023 0.000 1.028 210 T CA 0.674 62.788 62.100 0.023 0.000 1.005 210 T CB 1.739 70.616 68.868 0.015 0.000 1.157 210 T HN 0.257 nan 8.240 nan 0.000 0.550 211 D N -0.909 119.503 120.400 0.020 0.000 2.363 211 D HA 0.002 4.642 4.640 -0.000 0.000 0.226 211 D C 0.678 176.994 176.300 0.026 0.000 1.020 211 D CA 0.232 54.245 54.000 0.022 0.000 0.892 211 D CB -0.011 40.799 40.800 0.017 0.000 0.900 211 D HN 0.552 nan 8.370 nan 0.000 0.531 212 R N 0.475 120.989 120.500 0.022 0.000 2.483 212 R HA 0.496 4.836 4.340 -0.000 0.000 0.303 212 R C -1.350 174.956 176.300 0.010 0.000 0.987 212 R CA -0.640 55.474 56.100 0.024 0.000 0.881 212 R CB 0.799 31.114 30.300 0.026 0.000 1.177 212 R HN 0.029 nan 8.270 nan 0.000 0.451 213 I N 3.313 123.887 120.570 0.007 0.000 2.378 213 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 213 I C -0.249 175.855 176.117 -0.021 0.000 0.992 213 I CA -0.664 60.632 61.300 -0.006 0.000 1.154 213 I CB 2.324 40.322 38.000 -0.004 0.000 1.315 213 I HN 0.490 nan 8.210 nan 0.000 0.448 214 T N 7.089 121.624 114.554 -0.032 0.000 2.779 214 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 214 T C -0.339 174.334 174.700 -0.044 0.000 0.987 214 T CA -0.303 61.768 62.100 -0.049 0.000 0.966 214 T CB 1.061 69.896 68.868 -0.055 0.000 0.933 214 T HN 0.189 nan 8.240 nan 0.000 0.442 215 I N 2.552 123.094 120.570 -0.048 0.000 2.436 215 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 215 I C 0.171 176.259 176.117 -0.048 0.000 1.010 215 I CA -0.572 60.701 61.300 -0.045 0.000 1.098 215 I CB 1.958 39.934 38.000 -0.041 0.000 1.266 215 I HN 0.562 nan 8.210 nan 0.000 0.434 216 E N 4.961 125.133 120.200 -0.047 0.000 2.092 216 E HA 0.522 4.872 4.350 -0.000 0.000 0.271 216 E C 0.137 176.709 176.600 -0.046 0.000 0.919 216 E CA -0.654 55.718 56.400 -0.046 0.000 0.760 216 E CB 1.020 30.694 29.700 -0.042 0.000 1.106 216 E HN 0.818 nan 8.360 nan 0.000 0.408 217 G N 2.624 111.397 108.800 -0.046 0.000 2.491 217 G HA2 0.306 4.266 3.960 -0.000 0.000 0.238 217 G HA3 0.306 4.266 3.960 -0.000 0.000 0.238 217 G C 0.081 174.952 174.900 -0.048 0.000 1.277 217 G CA 0.066 45.138 45.100 -0.048 0.000 0.851 217 G HN 0.464 nan 8.290 nan 0.000 0.573 218 V N -0.726 119.156 119.914 -0.053 0.000 3.155 218 V HA 0.573 4.693 4.120 -0.000 0.000 0.313 218 V C 0.860 176.921 176.094 -0.055 0.000 1.162 218 V CA -0.738 61.531 62.300 -0.052 0.000 1.048 218 V CB 1.827 33.617 31.823 -0.056 0.000 1.092 218 V HN 0.763 nan 8.190 nan 0.000 0.447 219 E N 0.886 121.055 120.200 -0.051 0.000 2.107 219 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 219 E C 0.492 177.053 176.600 -0.065 0.000 0.982 219 E CA 1.362 57.730 56.400 -0.053 0.000 0.809 219 E CB 0.121 29.795 29.700 -0.043 0.000 0.756 219 E HN 0.740 nan 8.360 nan 0.000 0.459 220 R N -0.604 119.858 120.500 -0.064 0.000 2.712 220 R HA 0.446 4.786 4.340 -0.000 0.000 0.272 220 R C -1.493 174.763 176.300 -0.072 0.000 1.032 220 R CA -0.729 55.327 56.100 -0.073 0.000 0.874 220 R CB 0.781 31.045 30.300 -0.061 0.000 1.256 220 R HN -0.135 nan 8.270 nan 0.000 0.468 221 L N 1.297 122.473 121.223 -0.079 0.000 2.325 221 L HA 0.565 4.904 4.340 -0.000 0.000 0.278 221 L C 0.699 177.528 176.870 -0.069 0.000 1.023 221 L CA -0.537 54.250 54.840 -0.088 0.000 0.811 221 L CB 1.892 43.886 42.059 -0.109 0.000 1.249 221 L HN 1.022 nan 8.230 nan 0.000 0.431 222 G N 1.309 110.066 108.800 -0.072 0.000 3.348 222 G HA2 0.604 4.564 3.960 -0.000 0.000 0.180 222 G HA3 0.604 4.564 3.960 -0.000 0.000 0.180 222 G C 0.047 174.922 174.900 -0.042 0.000 1.915 222 G CA 0.416 45.489 45.100 -0.045 0.000 0.937 222 G HN 0.754 nan 8.290 nan 0.000 0.564 223 G N -2.921 105.857 108.800 -0.037 0.000 2.975 223 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 223 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 223 G C -0.452 174.432 174.900 -0.027 0.000 1.334 223 G CA 0.133 45.223 45.100 -0.016 0.000 0.843 223 G HN 1.768 nan 8.290 nan 0.000 0.548 224 G N -2.589 106.224 108.800 0.022 0.000 2.343 224 G HA2 0.526 4.486 3.960 -0.000 0.000 0.289 224 G HA3 0.526 4.486 3.960 -0.000 0.000 0.289 224 G C -2.014 172.943 174.900 0.096 0.000 1.295 224 G CA 0.145 45.267 45.100 0.035 0.000 0.869 224 G HN 1.360 nan 8.290 nan 0.000 0.522 225 V N 0.242 120.223 119.914 0.111 0.000 2.604 225 V HA 0.797 4.917 4.120 -0.000 0.000 0.305 225 V C -1.168 175.050 176.094 0.208 0.000 1.043 225 V CA -0.604 61.772 62.300 0.126 0.000 0.888 225 V CB 1.658 33.523 31.823 0.071 0.000 0.995 225 V HN 0.992 nan 8.190 nan 0.000 0.429 226 Y N 3.613 123.961 120.300 0.079 0.000 2.479 226 Y HA 0.571 5.121 4.550 -0.000 0.000 0.338 226 Y C -0.415 175.495 175.900 0.017 0.000 1.055 226 Y CA -0.808 57.354 58.100 0.102 0.000 1.023 226 Y CB 1.662 40.315 38.460 0.321 0.000 1.287 226 Y HN 0.620 nan 8.280 nan 0.000 0.447 227 R N 5.007 125.158 120.500 -0.582 0.000 2.294 227 R HA 0.629 4.969 4.340 -0.000 0.000 0.319 227 R C -1.381 174.722 176.300 -0.327 0.000 0.984 227 R CA -0.597 55.295 56.100 -0.345 0.000 0.861 227 R CB 0.992 31.121 30.300 -0.284 0.000 1.104 227 R HN 0.603 nan 8.270 nan 0.000 0.451 228 V N 6.454 126.314 119.914 -0.090 0.000 2.655 228 V HA 0.022 4.142 4.120 -0.000 0.000 0.300 228 V C 0.989 177.062 176.094 -0.035 0.000 1.044 228 V CA -0.182 62.118 62.300 -0.001 0.000 1.095 228 V CB 0.647 32.455 31.823 -0.025 0.000 0.952 228 V HN 0.686 nan 8.190 nan 0.000 0.485 229 L N 5.325 126.549 121.223 0.002 0.000 2.472 229 L HA 0.511 4.851 4.340 -0.000 0.000 0.260 229 L C -2.358 174.501 176.870 -0.018 0.000 1.209 229 L CA -1.500 53.331 54.840 -0.016 0.000 0.817 229 L CB 0.009 42.069 42.059 0.000 0.000 1.106 229 L HN 0.354 nan 8.230 nan 0.000 0.479 230 P HA 0.003 nan 4.420 nan 0.000 0.269 230 P C -1.206 176.091 177.300 -0.005 0.000 1.215 230 P CA -0.023 63.075 63.100 -0.002 0.000 0.780 230 P CB 0.343 32.049 31.700 0.009 0.000 0.898 231 D N 2.203 122.604 120.400 0.002 0.000 2.352 231 D HA 0.003 4.643 4.640 -0.000 0.000 0.245 231 D C 1.319 177.619 176.300 0.000 0.000 1.224 231 D CA -0.083 53.909 54.000 -0.013 0.000 0.879 231 D CB 0.517 41.301 40.800 -0.027 0.000 1.057 231 D HN 0.336 nan 8.370 nan 0.000 0.491 232 R N 3.690 124.180 120.500 -0.016 0.000 2.148 232 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 232 R C 1.338 177.637 176.300 -0.002 0.000 1.103 232 R CA 0.583 56.680 56.100 -0.005 0.000 0.983 232 R CB -0.085 30.197 30.300 -0.030 0.000 0.874 232 R HN 0.325 nan 8.270 nan 0.000 0.451 233 I N 1.780 122.331 120.570 -0.032 0.000 2.406 233 I HA -0.110 4.060 4.170 -0.000 0.000 0.249 233 I C 2.518 178.622 176.117 -0.020 0.000 1.122 233 I CA 1.144 62.422 61.300 -0.036 0.000 1.431 233 I CB -1.201 36.754 38.000 -0.075 0.000 1.087 233 I HN 0.365 nan 8.210 nan 0.000 0.424 234 E N 1.064 121.236 120.200 -0.047 0.000 2.072 234 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 234 E C 1.992 178.712 176.600 0.200 0.000 0.985 234 E CA 1.846 58.278 56.400 0.053 0.000 0.801 234 E CB 0.171 29.928 29.700 0.094 0.000 0.750 234 E HN 0.374 nan 8.360 nan 0.000 0.452 235 T N -0.032 114.626 114.554 0.172 0.000 2.674 235 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 235 T C 1.764 176.572 174.700 0.180 0.000 1.039 235 T CA 1.375 63.599 62.100 0.207 0.000 1.150 235 T CB -0.782 68.163 68.868 0.128 0.000 0.864 235 T HN 0.431 nan 8.240 nan 0.000 0.427 236 G N 1.051 109.923 108.800 0.119 0.000 2.442 236 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 236 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 236 G C 1.717 176.678 174.900 0.101 0.000 1.141 236 G CA 1.570 46.748 45.100 0.130 0.000 0.763 236 G HN 0.469 nan 8.290 nan 0.000 0.554 237 T N 1.049 115.628 114.554 0.043 0.000 2.684 237 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 237 T C 2.022 176.614 174.700 -0.180 0.000 1.036 237 T CA 1.208 63.255 62.100 -0.089 0.000 1.148 237 T CB -0.317 68.469 68.868 -0.136 0.000 0.863 237 T HN 0.228 nan 8.240 nan 0.000 0.436 238 F N 0.861 120.858 119.950 0.079 0.000 2.325 238 F HA 0.201 4.728 4.527 -0.000 0.000 0.299 238 F C 2.051 177.867 175.800 0.026 0.000 1.090 238 F CA 0.208 58.232 58.000 0.040 0.000 1.392 238 F CB -0.691 38.339 39.000 0.051 0.000 1.053 238 F HN 0.088 nan 8.300 nan 0.000 0.521 239 L N -1.033 120.306 121.223 0.193 0.000 2.056 239 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 239 L C 2.352 179.246 176.870 0.040 0.000 1.078 239 L CA 0.688 55.601 54.840 0.122 0.000 0.749 239 L CB -0.797 41.338 42.059 0.127 0.000 0.901 239 L HN -0.056 nan 8.230 nan 0.000 0.433 240 V N 0.117 120.019 119.914 -0.021 0.000 2.407 240 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 240 V C 2.748 178.793 176.094 -0.083 0.000 1.055 240 V CA 1.676 63.892 62.300 -0.139 0.000 1.049 240 V CB -0.735 30.954 31.823 -0.223 0.000 0.662 240 V HN 0.473 nan 8.190 nan 0.000 0.455 241 A N -0.039 122.763 122.820 -0.029 0.000 1.940 241 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 241 A C 2.403 179.995 177.584 0.015 0.000 1.176 241 A CA 2.150 54.186 52.037 -0.003 0.000 0.631 241 A CB -0.653 18.388 19.000 0.068 0.000 0.814 241 A HN 0.568 nan 8.150 nan 0.000 0.446 242 A N -0.270 122.572 122.820 0.036 0.000 1.872 242 A HA 0.252 4.572 4.320 -0.000 0.000 0.214 242 A C 2.510 180.094 177.584 -0.000 0.000 1.187 242 A CA 1.824 53.875 52.037 0.023 0.000 0.614 242 A CB -1.032 17.990 19.000 0.036 0.000 0.826 242 A HN 1.052 nan 8.150 nan 0.000 0.442 243 A N 0.676 123.489 122.820 -0.013 0.000 1.940 243 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 243 A C 2.035 179.596 177.584 -0.037 0.000 1.176 243 A CA 1.596 53.617 52.037 -0.026 0.000 0.631 243 A CB -0.801 18.162 19.000 -0.061 0.000 0.814 243 A HN 1.006 nan 8.150 nan 0.000 0.446 244 I N -2.600 117.939 120.570 -0.052 0.000 3.578 244 I HA 0.092 4.262 4.170 -0.000 0.000 0.295 244 I C 1.385 177.484 176.117 -0.030 0.000 1.280 244 I CA 1.232 62.504 61.300 -0.048 0.000 1.347 244 I CB 0.147 38.109 38.000 -0.064 0.000 1.051 244 I HN 0.265 nan 8.210 nan 0.000 0.460 245 S N -0.295 115.393 115.700 -0.021 0.000 2.629 245 S HA 0.451 4.921 4.470 -0.000 0.000 0.236 245 S C 1.472 176.067 174.600 -0.009 0.000 1.010 245 S CA 0.190 58.381 58.200 -0.015 0.000 0.981 245 S CB 0.404 63.596 63.200 -0.013 0.000 0.919 245 S HN 0.717 nan 8.310 nan 0.000 0.514 246 G N 0.477 109.274 108.800 -0.005 0.000 2.168 246 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.263 246 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.263 246 G C 0.513 175.407 174.900 -0.011 0.000 0.977 246 G CA 0.043 45.143 45.100 -0.000 0.000 0.659 246 G HN 1.140 nan 8.290 nan 0.000 0.533 247 G N -0.861 107.931 108.800 -0.014 0.000 2.535 247 G HA2 0.604 4.564 3.960 -0.000 0.000 0.303 247 G HA3 0.604 4.564 3.960 -0.000 0.000 0.303 247 G C -0.306 174.573 174.900 -0.035 0.000 1.237 247 G CA -0.052 45.033 45.100 -0.025 0.000 0.986 247 G HN 0.489 nan 8.290 nan 0.000 0.494 248 K N -0.438 119.934 120.400 -0.046 0.000 2.292 248 K HA 0.630 4.949 4.320 -0.000 0.000 0.257 248 K C -1.352 175.233 176.600 -0.025 0.000 0.940 248 K CA -0.688 55.570 56.287 -0.049 0.000 0.811 248 K CB 1.595 34.045 32.500 -0.084 0.000 1.120 248 K HN 0.397 nan 8.250 nan 0.000 0.428 249 I N 3.839 124.410 120.570 0.001 0.000 2.686 249 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 249 I C -1.586 174.547 176.117 0.027 0.000 1.114 249 I CA -1.019 60.284 61.300 0.006 0.000 1.038 249 I CB 2.151 40.171 38.000 0.034 0.000 1.238 249 I HN 0.361 nan 8.210 nan 0.000 0.420 250 V N 6.290 126.206 119.914 0.003 0.000 2.448 250 V HA 0.354 4.474 4.120 -0.000 0.000 0.295 250 V C -0.480 175.637 176.094 0.039 0.000 1.025 250 V CA -0.529 61.792 62.300 0.035 0.000 0.859 250 V CB 1.324 33.115 31.823 -0.054 0.000 0.988 250 V HN 0.771 nan 8.190 nan 0.000 0.431 251 C N 6.360 125.727 119.300 0.112 0.000 2.273 251 C HA 0.639 5.099 4.460 -0.000 0.000 0.328 251 C C 0.562 175.633 174.990 0.135 0.000 1.275 251 C CA -1.040 58.033 59.018 0.092 0.000 1.704 251 C CB 0.099 27.916 27.740 0.127 0.000 2.326 251 C HN 0.765 nan 8.230 nan 0.000 0.517 252 R N 1.635 122.181 120.500 0.077 0.000 2.607 252 R HA 0.335 4.675 4.340 -0.000 0.000 0.261 252 R C 0.492 176.839 176.300 0.078 0.000 1.051 252 R CA -0.569 55.589 56.100 0.096 0.000 1.110 252 R CB 0.135 30.456 30.300 0.035 0.000 1.158 252 R HN 0.873 nan 8.270 nan 0.000 0.543 253 N N -0.940 117.808 118.700 0.081 0.000 2.727 253 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 253 N C -0.814 174.727 175.510 0.051 0.000 1.048 253 N CA 0.522 53.603 53.050 0.052 0.000 0.714 253 N CB -0.440 38.064 38.487 0.028 0.000 0.959 253 N HN 0.661 nan 8.380 nan 0.000 0.544 254 A N 0.572 123.434 122.820 0.069 0.000 2.269 254 A HA 0.584 4.904 4.320 -0.000 0.000 0.327 254 A C 0.144 177.739 177.584 0.017 0.000 1.112 254 A CA -0.338 51.731 52.037 0.053 0.000 0.865 254 A CB 1.379 20.426 19.000 0.078 0.000 1.227 254 A HN 0.310 nan 8.150 nan 0.000 0.498 255 Q N 0.584 120.386 119.800 0.004 0.000 2.771 255 Q HA 0.327 4.667 4.340 -0.000 0.000 0.247 255 Q C -2.312 173.676 176.000 -0.020 0.000 0.986 255 Q CA -1.740 54.053 55.803 -0.016 0.000 0.713 255 Q CB 1.302 30.033 28.738 -0.012 0.000 1.241 255 Q HN 0.424 nan 8.270 nan 0.000 0.488 256 P HA -0.223 nan 4.420 nan 0.000 0.217 256 P C 0.521 177.808 177.300 -0.022 0.000 1.151 256 P CA 1.678 64.748 63.100 -0.050 0.000 0.849 256 P CB 0.199 31.829 31.700 -0.115 0.000 0.787 257 D N -1.603 118.786 120.400 -0.019 0.000 2.378 257 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 257 D C 1.118 177.446 176.300 0.047 0.000 1.012 257 D CA 1.198 55.202 54.000 0.007 0.000 0.905 257 D CB -1.437 39.365 40.800 0.003 0.000 0.895 257 D HN 0.219 nan 8.370 nan 0.000 0.532 258 T N -2.590 111.987 114.554 0.039 0.000 3.107 258 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 258 T C 1.221 175.980 174.700 0.097 0.000 1.096 258 T CA -0.177 61.960 62.100 0.062 0.000 1.012 258 T CB -0.243 68.616 68.868 -0.014 0.000 0.977 258 T HN 0.194 nan 8.240 nan 0.000 0.527 259 L N 0.697 121.956 121.223 0.060 0.000 3.289 259 L HA 0.370 4.710 4.340 -0.000 0.000 0.291 259 L C 0.763 177.650 176.870 0.029 0.000 1.279 259 L CA -0.321 54.543 54.840 0.040 0.000 1.025 259 L CB 0.538 42.617 42.059 0.033 0.000 1.413 259 L HN -0.038 nan 8.230 nan 0.000 0.593 260 D N 1.614 122.029 120.400 0.026 0.000 2.126 260 D HA -0.236 4.404 4.640 -0.000 0.000 0.190 260 D C 2.170 178.478 176.300 0.012 0.000 1.001 260 D CA 1.853 55.858 54.000 0.008 0.000 0.841 260 D CB 0.179 40.971 40.800 -0.013 0.000 0.949 260 D HN 0.396 nan 8.370 nan 0.000 0.446 261 A N 0.429 123.245 122.820 -0.007 0.000 1.898 261 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 261 A C 2.554 180.172 177.584 0.057 0.000 1.181 261 A CA 1.208 53.258 52.037 0.021 0.000 0.620 261 A CB -0.688 18.320 19.000 0.013 0.000 0.819 261 A HN 0.158 nan 8.150 nan 0.000 0.442 262 V N 0.295 120.199 119.914 -0.017 0.000 2.358 262 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 262 V C 2.551 178.756 176.094 0.186 0.000 1.047 262 V CA 1.825 64.141 62.300 0.027 0.000 1.035 262 V CB -0.694 31.112 31.823 -0.029 0.000 0.658 262 V HN 0.561 nan 8.190 nan 0.000 0.452 263 L N 0.020 121.317 121.223 0.123 0.000 2.056 263 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 263 L C 2.752 179.698 176.870 0.128 0.000 1.078 263 L CA 1.597 56.514 54.840 0.127 0.000 0.749 263 L CB -0.912 41.192 42.059 0.075 0.000 0.901 263 L HN 0.376 nan 8.230 nan 0.000 0.433 264 A N 0.140 123.021 122.820 0.101 0.000 1.933 264 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 264 A C 2.309 179.965 177.584 0.120 0.000 1.175 264 A CA 1.857 53.947 52.037 0.089 0.000 0.628 264 A CB -0.344 18.692 19.000 0.060 0.000 0.814 264 A HN 0.186 nan 8.150 nan 0.000 0.444 265 K N -0.032 120.467 120.400 0.165 0.000 2.097 265 K HA 0.079 4.399 4.320 -0.000 0.000 0.205 265 K C 1.698 178.481 176.600 0.305 0.000 1.050 265 K CA 1.118 57.529 56.287 0.207 0.000 0.938 265 K CB -0.527 32.081 32.500 0.180 0.000 0.718 265 K HN 0.477 nan 8.250 nan 0.000 0.442 266 L N 0.003 121.433 121.223 0.346 0.000 2.093 266 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 266 L C 2.381 179.348 176.870 0.162 0.000 1.085 266 L CA 1.177 56.177 54.840 0.267 0.000 0.755 266 L CB -0.267 41.933 42.059 0.236 0.000 0.904 266 L HN 0.127 nan 8.230 nan 0.000 0.435 267 R N 0.014 120.597 120.500 0.138 0.000 2.096 267 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 267 R C 2.091 178.443 176.300 0.087 0.000 1.127 267 R CA 1.257 57.416 56.100 0.099 0.000 0.968 267 R CB -0.224 30.125 30.300 0.081 0.000 0.861 267 R HN 0.460 nan 8.270 nan 0.000 0.440 268 E N 0.356 120.613 120.200 0.095 0.000 2.150 268 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 268 E C 1.675 178.320 176.600 0.075 0.000 0.985 268 E CA 1.001 57.446 56.400 0.075 0.000 0.814 268 E CB 0.014 29.757 29.700 0.072 0.000 0.752 268 E HN 0.330 nan 8.360 nan 0.000 0.466 269 A N 0.036 122.915 122.820 0.099 0.000 2.235 269 A HA 0.200 4.519 4.320 -0.000 0.000 0.208 269 A C 1.696 179.317 177.584 0.062 0.000 1.172 269 A CA 0.959 53.044 52.037 0.081 0.000 0.786 269 A CB -0.174 18.882 19.000 0.092 0.000 0.804 269 A HN 0.355 nan 8.150 nan 0.000 0.479 270 G N -2.453 106.387 108.800 0.065 0.000 2.184 270 G HA2 0.157 4.117 3.960 -0.000 0.000 0.206 270 G HA3 0.157 4.117 3.960 -0.000 0.000 0.206 270 G C 0.399 175.346 174.900 0.078 0.000 0.995 270 G CA 0.070 45.205 45.100 0.059 0.000 0.651 270 G HN 1.496 nan 8.290 nan 0.000 0.511 271 A N 0.280 123.153 122.820 0.088 0.000 2.425 271 A HA 0.521 4.841 4.320 -0.000 0.000 0.249 271 A C 0.168 177.824 177.584 0.119 0.000 1.084 271 A CA 0.759 52.858 52.037 0.104 0.000 0.781 271 A CB 0.493 19.550 19.000 0.096 0.000 1.019 271 A HN 0.539 nan 8.150 nan 0.000 0.490 272 D N 2.236 122.730 120.400 0.157 0.000 2.443 272 D HA 0.447 5.087 4.640 -0.000 0.000 0.221 272 D C -0.591 175.793 176.300 0.140 0.000 1.097 272 D CA -0.031 54.071 54.000 0.170 0.000 0.865 272 D CB -0.019 40.968 40.800 0.312 0.000 1.034 272 D HN 0.354 nan 8.370 nan 0.000 0.511 273 I N 2.658 123.298 120.570 0.116 0.000 2.412 273 I HA 0.360 4.530 4.170 -0.000 0.000 0.296 273 I C 0.458 176.639 176.117 0.106 0.000 0.987 273 I CA -0.746 60.621 61.300 0.111 0.000 1.180 273 I CB 1.699 39.754 38.000 0.093 0.000 1.340 273 I HN 0.236 nan 8.210 nan 0.000 0.455 274 E N 3.258 123.542 120.200 0.139 0.000 2.312 274 E HA 0.606 4.956 4.350 -0.000 0.000 0.267 274 E C -1.066 175.515 176.600 -0.032 0.000 0.894 274 E CA -0.751 55.725 56.400 0.126 0.000 0.773 274 E CB 2.781 32.663 29.700 0.303 0.000 1.241 274 E HN 0.682 nan 8.360 nan 0.000 0.432 275 T N -1.548 112.793 114.554 -0.355 0.000 2.896 275 T HA 0.800 5.150 4.350 -0.000 0.000 0.297 275 T C -0.010 173.917 174.700 -1.287 0.000 1.108 275 T CA -0.753 60.869 62.100 -0.796 0.000 1.004 275 T CB 1.934 70.565 68.868 -0.395 0.000 1.159 275 T HN 0.537 nan 8.240 nan 0.000 0.499 276 G N -0.303 107.417 108.800 -1.800 0.000 3.176 276 G HA2 0.501 4.461 3.960 -0.000 0.000 0.272 276 G HA3 0.501 4.461 3.960 -0.000 0.000 0.272 276 G C 0.298 174.797 174.900 -0.667 0.000 1.349 276 G CA -0.271 44.072 45.100 -1.261 0.000 0.953 276 G HN 0.879 nan 8.290 nan 0.000 0.559 277 E N -0.698 119.319 120.200 -0.305 0.000 2.077 277 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 277 E C 0.724 177.252 176.600 -0.120 0.000 0.989 277 E CA 1.896 58.209 56.400 -0.145 0.000 0.800 277 E CB 0.153 29.834 29.700 -0.031 0.000 0.746 277 E HN 0.443 nan 8.360 nan 0.000 0.452 278 D N -0.913 119.446 120.400 -0.069 0.000 2.740 278 D HA 0.045 4.685 4.640 -0.000 0.000 0.301 278 D C -0.466 175.916 176.300 0.136 0.000 1.408 278 D CA -0.545 53.471 54.000 0.026 0.000 0.808 278 D CB -0.729 40.118 40.800 0.079 0.000 1.128 278 D HN 0.320 nan 8.370 nan 0.000 0.465 279 W N -0.105 121.200 121.300 0.007 0.000 3.074 279 W HA 0.684 5.343 4.660 -0.000 0.000 0.332 279 W C -2.080 174.449 176.519 0.017 0.000 1.253 279 W CA -1.315 56.035 57.345 0.009 0.000 1.180 279 W CB 0.595 30.056 29.460 0.002 0.000 1.445 279 W HN -0.295 nan 8.180 nan 0.000 0.573 280 I N 3.007 123.803 120.570 0.376 0.000 2.571 280 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 280 I C -0.198 176.147 176.117 0.381 0.000 1.115 280 I CA -0.647 60.798 61.300 0.242 0.000 1.045 280 I CB 2.536 40.603 38.000 0.111 0.000 1.238 280 I HN 0.464 nan 8.210 nan 0.000 0.424 281 S N 6.751 122.698 115.700 0.410 0.000 2.532 281 S HA 0.867 5.337 4.470 -0.000 0.000 0.301 281 S C -0.956 173.750 174.600 0.177 0.000 1.083 281 S CA -0.770 57.595 58.200 0.275 0.000 1.025 281 S CB 2.520 65.884 63.200 0.274 0.000 1.056 281 S HN 0.637 nan 8.310 nan 0.000 0.494 282 L N 1.962 123.253 121.223 0.113 0.000 2.439 282 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 282 L C -1.988 174.903 176.870 0.035 0.000 0.972 282 L CA -0.288 54.603 54.840 0.086 0.000 0.836 282 L CB 1.827 43.937 42.059 0.086 0.000 1.255 282 L HN 0.826 nan 8.230 nan 0.000 0.404 283 D N 5.078 125.487 120.400 0.015 0.000 2.481 283 D HA 0.283 4.923 4.640 -0.000 0.000 0.246 283 D C 0.406 176.686 176.300 -0.032 0.000 1.109 283 D CA -0.446 53.489 54.000 -0.109 0.000 0.845 283 D CB 1.721 42.343 40.800 -0.298 0.000 1.160 283 D HN 0.463 nan 8.370 nan 0.000 0.534 284 M N 1.845 121.434 119.600 -0.019 0.000 2.541 284 M HA 0.030 4.509 4.480 -0.000 0.000 0.252 284 M C 0.330 176.720 176.300 0.151 0.000 1.125 284 M CA 0.342 55.688 55.300 0.076 0.000 1.091 284 M CB -0.794 31.830 32.600 0.040 0.000 1.420 284 M HN 0.538 nan 8.290 nan 0.000 0.486 285 H N -0.423 118.657 119.070 0.017 0.000 2.820 285 H HA -0.174 4.381 4.556 -0.000 0.000 0.295 285 H C 1.284 176.617 175.328 0.009 0.000 1.187 285 H CA 0.719 56.775 56.048 0.013 0.000 1.144 285 H CB -1.999 27.772 29.762 0.015 0.000 1.354 285 H HN 0.615 nan 8.280 nan 0.000 0.395 286 G N -0.133 108.701 108.800 0.056 0.000 2.189 286 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.267 286 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.267 286 G C 0.394 175.320 174.900 0.044 0.000 0.975 286 G CA 0.987 46.110 45.100 0.038 0.000 0.644 286 G HN 0.510 nan 8.290 nan 0.000 0.537 287 K N 0.111 120.550 120.400 0.064 0.000 2.185 287 K HA 0.432 4.752 4.320 -0.000 0.000 0.271 287 K C 0.770 177.390 176.600 0.033 0.000 1.013 287 K CA -0.768 55.549 56.287 0.050 0.000 0.943 287 K CB 1.054 33.590 32.500 0.061 0.000 0.998 287 K HN 0.276 nan 8.250 nan 0.000 0.468 288 R N 3.017 123.531 120.500 0.023 0.000 2.491 288 R HA 0.113 4.453 4.340 -0.000 0.000 0.283 288 R C -2.100 174.210 176.300 0.016 0.000 1.072 288 R CA -1.194 54.914 56.100 0.014 0.000 1.048 288 R CB 0.402 30.708 30.300 0.010 0.000 0.983 288 R HN 0.381 nan 8.270 nan 0.000 0.450 289 P HA 0.081 nan 4.420 nan 0.000 0.272 289 P C -1.305 176.006 177.300 0.018 0.000 1.230 289 P CA -0.068 63.040 63.100 0.014 0.000 0.788 289 P CB 0.763 32.460 31.700 -0.004 0.000 0.949 290 K N 0.766 121.182 120.400 0.027 0.000 2.156 290 K HA 0.538 4.858 4.320 -0.000 0.000 0.271 290 K C 0.243 176.861 176.600 0.031 0.000 0.995 290 K CA -0.712 55.592 56.287 0.027 0.000 0.890 290 K CB 1.148 33.666 32.500 0.030 0.000 1.073 290 K HN 0.481 nan 8.250 nan 0.000 0.454 291 A N 2.123 124.958 122.820 0.024 0.000 2.531 291 A HA 0.283 4.603 4.320 -0.000 0.000 0.236 291 A C 0.208 177.808 177.584 0.027 0.000 1.062 291 A CA -0.300 51.750 52.037 0.021 0.000 0.760 291 A CB -0.061 18.945 19.000 0.010 0.000 0.995 291 A HN 0.567 nan 8.150 nan 0.000 0.501 292 V N -0.692 119.242 119.914 0.033 0.000 3.158 292 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 292 V C -0.101 175.988 176.094 -0.009 0.000 1.181 292 V CA -0.673 61.644 62.300 0.028 0.000 1.054 292 V CB 1.646 33.512 31.823 0.072 0.000 1.085 292 V HN 0.768 nan 8.190 nan 0.000 0.446 293 T N 1.501 116.034 114.554 -0.036 0.000 2.771 293 T HA 0.718 5.068 4.350 -0.000 0.000 0.281 293 T C -0.629 173.984 174.700 -0.144 0.000 0.982 293 T CA -0.272 61.785 62.100 -0.072 0.000 0.978 293 T CB 1.270 70.107 68.868 -0.053 0.000 0.930 293 T HN 0.733 nan 8.240 nan 0.000 0.447 294 V N 4.128 123.914 119.914 -0.212 0.000 2.588 294 V HA 0.619 4.739 4.120 -0.000 0.000 0.304 294 V C -0.126 175.785 176.094 -0.306 0.000 1.042 294 V CA -0.954 61.086 62.300 -0.434 0.000 0.877 294 V CB 1.993 33.402 31.823 -0.690 0.000 0.996 294 V HN 0.726 nan 8.190 nan 0.000 0.425 295 R N 2.640 122.975 120.500 -0.276 0.000 2.483 295 R HA 0.530 4.870 4.340 -0.000 0.000 0.303 295 R C -0.087 176.195 176.300 -0.031 0.000 0.987 295 R CA -0.309 55.727 56.100 -0.108 0.000 0.881 295 R CB 1.739 32.006 30.300 -0.055 0.000 1.177 295 R HN 0.915 nan 8.270 nan 0.000 0.451 296 T N 1.066 115.649 114.554 0.048 0.000 2.899 296 T HA 0.717 5.067 4.350 -0.000 0.000 0.295 296 T C 0.075 174.825 174.700 0.083 0.000 1.033 296 T CA -0.226 61.975 62.100 0.168 0.000 1.084 296 T CB 1.621 70.602 68.868 0.189 0.000 0.979 296 T HN 0.682 nan 8.240 nan 0.000 0.532 297 A N 2.718 125.588 122.820 0.083 0.000 2.566 297 A HA 0.738 5.058 4.320 -0.000 0.000 0.290 297 A C -3.170 174.429 177.584 0.024 0.000 1.071 297 A CA -1.694 50.359 52.037 0.027 0.000 0.658 297 A CB 0.290 19.300 19.000 0.017 0.000 1.285 297 A HN 0.657 nan 8.150 nan 0.000 0.427 298 P HA 0.271 nan 4.420 nan 0.000 0.269 298 P C -0.375 176.951 177.300 0.045 0.000 1.215 298 P CA 0.311 63.425 63.100 0.024 0.000 0.780 298 P CB 0.174 31.878 31.700 0.006 0.000 0.898 299 H N 4.061 123.123 119.070 -0.014 0.000 2.948 299 H HA 0.011 4.567 4.556 -0.000 0.000 0.351 299 H C -1.197 174.125 175.328 -0.011 0.000 1.079 299 H CA -0.617 55.420 56.048 -0.017 0.000 1.407 299 H CB 0.239 29.991 29.762 -0.017 0.000 1.373 299 H HN 0.324 nan 8.280 nan 0.000 0.605 300 P HA 0.127 nan 4.420 nan 0.000 0.255 300 P C -0.436 176.629 177.300 -0.391 0.000 1.357 300 P CA 0.176 62.690 63.100 -0.976 0.000 0.839 300 P CB -0.081 31.194 31.700 -0.708 0.000 1.356 301 A N 0.423 123.140 122.820 -0.172 0.000 2.267 301 A HA 0.291 4.611 4.320 -0.000 0.000 0.271 301 A C -0.212 177.377 177.584 0.008 0.000 1.131 301 A CA -0.559 51.449 52.037 -0.048 0.000 0.818 301 A CB -0.489 18.509 19.000 -0.003 0.000 1.118 301 A HN 0.156 nan 8.150 nan 0.000 0.501 302 F N 1.709 121.611 119.950 -0.080 0.000 2.602 302 F HA 0.292 4.819 4.527 -0.000 0.000 0.385 302 F C -1.721 174.049 175.800 -0.051 0.000 1.063 302 F CA -1.595 56.346 58.000 -0.098 0.000 1.233 302 F CB 0.552 39.458 39.000 -0.158 0.000 1.067 302 F HN 0.240 nan 8.300 nan 0.000 0.564 303 P HA 0.015 nan 4.420 nan 0.000 0.281 303 P C 0.275 177.564 177.300 -0.018 0.000 1.252 303 P CA -0.152 62.844 63.100 -0.173 0.000 0.778 303 P CB 1.551 33.130 31.700 -0.202 0.000 0.895 304 T N 1.276 115.902 114.554 0.119 0.000 2.849 304 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 304 T C 0.997 175.797 174.700 0.166 0.000 1.066 304 T CA 1.607 63.828 62.100 0.202 0.000 1.130 304 T CB -0.682 68.331 68.868 0.241 0.000 0.864 304 T HN 0.276 nan 8.240 nan 0.000 0.481 305 D N 0.333 120.790 120.400 0.094 0.000 2.378 305 D HA 0.046 4.686 4.640 -0.000 0.000 0.222 305 D C 1.306 177.637 176.300 0.050 0.000 0.980 305 D CA 0.537 54.573 54.000 0.060 0.000 0.907 305 D CB 0.038 40.855 40.800 0.029 0.000 0.899 305 D HN 0.393 nan 8.370 nan 0.000 0.527 306 M N -0.199 119.424 119.600 0.039 0.000 2.333 306 M HA 0.069 4.549 4.480 -0.000 0.000 0.257 306 M C 1.597 178.142 176.300 0.407 0.000 1.078 306 M CA 0.103 55.484 55.300 0.135 0.000 1.005 306 M CB 0.427 32.951 32.600 -0.127 0.000 1.444 306 M HN -0.003 nan 8.290 nan 0.000 0.496 307 Q N 0.991 121.011 119.800 0.366 0.000 2.050 307 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 307 Q C 1.752 177.914 176.000 0.270 0.000 0.980 307 Q CA 2.086 58.128 55.803 0.399 0.000 0.840 307 Q CB 0.115 29.047 28.738 0.324 0.000 0.898 307 Q HN 0.457 nan 8.270 nan 0.000 0.424 308 A N 0.536 123.382 122.820 0.043 0.000 1.933 308 A HA -0.236 4.083 4.320 -0.000 0.000 0.218 308 A C 1.992 179.544 177.584 -0.054 0.000 1.175 308 A CA 1.703 53.547 52.037 -0.322 0.000 0.628 308 A CB -0.457 18.187 19.000 -0.593 0.000 0.814 308 A HN 0.474 nan 8.150 nan 0.000 0.444 309 Q N -1.239 118.607 119.800 0.078 0.000 2.079 309 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 309 Q C 1.614 177.674 176.000 0.100 0.000 0.974 309 Q CA 1.605 57.453 55.803 0.075 0.000 0.840 309 Q CB -0.424 28.372 28.738 0.097 0.000 0.898 309 Q HN 0.681 nan 8.270 nan 0.000 0.430 310 F N 0.078 120.110 119.950 0.138 0.000 2.407 310 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 310 F C 2.125 177.974 175.800 0.081 0.000 1.097 310 F CA 1.069 59.148 58.000 0.132 0.000 1.422 310 F CB -0.286 38.831 39.000 0.195 0.000 1.067 310 F HN 0.022 nan 8.300 nan 0.000 0.539 311 T N 0.467 115.179 114.554 0.264 0.000 2.746 311 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 311 T C 2.035 176.810 174.700 0.124 0.000 1.039 311 T CA 1.307 63.533 62.100 0.211 0.000 1.142 311 T CB -0.529 68.578 68.868 0.397 0.000 0.866 311 T HN 0.150 nan 8.240 nan 0.000 0.444 312 L N 1.284 122.568 121.223 0.102 0.000 2.046 312 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 312 L C 2.192 179.057 176.870 -0.010 0.000 1.077 312 L CA 1.502 56.365 54.840 0.038 0.000 0.747 312 L CB -0.877 41.187 42.059 0.009 0.000 0.896 312 L HN 0.266 nan 8.230 nan 0.000 0.432 313 L N -0.466 120.728 121.223 -0.049 0.000 2.012 313 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 313 L C 2.231 179.082 176.870 -0.033 0.000 1.073 313 L CA 1.745 56.530 54.840 -0.091 0.000 0.748 313 L CB -0.536 41.383 42.059 -0.234 0.000 0.891 313 L HN 0.383 nan 8.230 nan 0.000 0.431 314 N N -0.079 118.626 118.700 0.007 0.000 2.244 314 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 314 N C 1.788 177.293 175.510 -0.009 0.000 1.016 314 N CA 1.231 54.285 53.050 0.008 0.000 0.866 314 N CB -0.275 38.221 38.487 0.015 0.000 0.980 314 N HN 0.385 nan 8.380 nan 0.000 0.430 315 L N 0.430 121.648 121.223 -0.009 0.000 2.465 315 L HA -0.026 4.314 4.340 -0.000 0.000 0.224 315 L C 1.427 178.278 176.870 -0.030 0.000 1.145 315 L CA 0.503 55.331 54.840 -0.020 0.000 0.834 315 L CB -0.012 42.038 42.059 -0.015 0.000 0.944 315 L HN 0.064 nan 8.230 nan 0.000 0.451 316 V N -4.897 115.002 119.914 -0.026 0.000 3.380 316 V HA 0.492 4.612 4.120 -0.000 0.000 0.307 316 V C 0.899 176.982 176.094 -0.018 0.000 1.434 316 V CA -0.230 62.053 62.300 -0.029 0.000 1.075 316 V CB -0.322 31.482 31.823 -0.032 0.000 0.954 316 V HN 0.102 nan 8.190 nan 0.000 0.444 317 A N 0.428 123.242 122.820 -0.010 0.000 2.259 317 A HA 0.592 4.912 4.320 -0.000 0.000 0.278 317 A C 0.116 177.706 177.584 0.009 0.000 1.107 317 A CA -0.416 51.621 52.037 -0.000 0.000 0.828 317 A CB 0.424 19.427 19.000 0.004 0.000 1.111 317 A HN 0.537 nan 8.150 nan 0.000 0.498 318 E N -0.510 119.699 120.200 0.015 0.000 2.167 318 E HA 0.471 4.821 4.350 -0.000 0.000 0.284 318 E C 0.417 177.033 176.600 0.027 0.000 1.016 318 E CA 0.850 57.262 56.400 0.021 0.000 0.817 318 E CB 0.522 30.234 29.700 0.019 0.000 1.080 318 E HN 1.352 nan 8.360 nan 0.000 0.397 319 G N 2.558 111.382 108.800 0.039 0.000 2.549 319 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.404 319 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.404 319 G C -0.583 174.348 174.900 0.052 0.000 1.292 319 G CA -0.659 44.469 45.100 0.047 0.000 0.935 319 G HN 0.473 nan 8.290 nan 0.000 0.512 320 T N 1.086 115.670 114.554 0.050 0.000 2.767 320 T HA 0.673 5.023 4.350 -0.000 0.000 0.288 320 T C 0.804 175.483 174.700 -0.036 0.000 0.963 320 T CA 0.627 62.734 62.100 0.011 0.000 1.019 320 T CB 1.301 70.212 68.868 0.072 0.000 0.923 320 T HN 1.477 nan 8.240 nan 0.000 0.468 321 G N 1.276 110.026 108.800 -0.084 0.000 2.788 321 G HA2 0.723 4.683 3.960 -0.000 0.000 0.293 321 G HA3 0.723 4.683 3.960 -0.000 0.000 0.293 321 G C -1.407 173.434 174.900 -0.099 0.000 1.305 321 G CA -0.643 44.418 45.100 -0.065 0.000 1.005 321 G HN 0.658 nan 8.290 nan 0.000 0.496 322 V N 0.645 120.514 119.914 -0.074 0.000 2.760 322 V HA 0.480 4.600 4.120 -0.000 0.000 0.309 322 V C -0.990 175.062 176.094 -0.069 0.000 1.077 322 V CA -0.694 61.557 62.300 -0.081 0.000 0.910 322 V CB 1.926 33.711 31.823 -0.064 0.000 1.008 322 V HN 0.561 nan 8.190 nan 0.000 0.424 323 I N 2.998 123.534 120.570 -0.058 0.000 2.439 323 I HA 0.433 4.603 4.170 -0.000 0.000 0.283 323 I C -0.118 176.044 176.117 0.073 0.000 1.023 323 I CA -0.091 61.206 61.300 -0.005 0.000 1.100 323 I CB 1.842 39.877 38.000 0.058 0.000 1.238 323 I HN 0.557 nan 8.210 nan 0.000 0.445 324 T N 4.840 119.435 114.554 0.067 0.000 2.770 324 T HA 0.306 4.656 4.350 -0.000 0.000 0.283 324 T C -0.109 174.675 174.700 0.140 0.000 0.988 324 T CA -0.472 61.703 62.100 0.125 0.000 0.957 324 T CB 1.674 70.569 68.868 0.044 0.000 0.930 324 T HN 0.412 nan 8.240 nan 0.000 0.443 325 E N 2.152 122.471 120.200 0.199 0.000 2.092 325 E HA 0.354 4.704 4.350 -0.000 0.000 0.271 325 E C 0.942 177.543 176.600 0.002 0.000 0.919 325 E CA -0.583 55.859 56.400 0.069 0.000 0.760 325 E CB 0.691 30.323 29.700 -0.113 0.000 1.106 325 E HN 0.641 nan 8.360 nan 0.000 0.408 326 T N 2.215 116.767 114.554 -0.004 0.000 3.023 326 T HA 0.164 4.514 4.350 -0.000 0.000 0.253 326 T C 1.205 175.847 174.700 -0.097 0.000 1.038 326 T CA -0.049 62.029 62.100 -0.038 0.000 0.962 326 T CB -0.009 68.844 68.868 -0.026 0.000 1.018 326 T HN 0.398 nan 8.240 nan 0.000 0.521 327 I N -0.201 120.287 120.570 -0.135 0.000 2.512 327 I HA 0.369 4.539 4.170 -0.000 0.000 0.247 327 I C 0.240 176.055 176.117 -0.503 0.000 1.094 327 I CA 0.290 61.385 61.300 -0.342 0.000 1.427 327 I CB -0.627 37.129 38.000 -0.406 0.000 1.149 327 I HN 0.185 nan 8.210 nan 0.000 0.438 328 F N 1.897 121.807 119.950 -0.067 0.000 2.492 328 F HA 0.253 4.780 4.527 -0.000 0.000 0.327 328 F C 1.626 177.346 175.800 -0.134 0.000 1.079 328 F CA -0.896 57.053 58.000 -0.084 0.000 0.967 328 F CB 1.018 39.971 39.000 -0.079 0.000 1.169 328 F HN 0.021 nan 8.300 nan 0.000 0.472 329 E N 0.105 120.361 120.200 0.094 0.000 2.442 329 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 329 E C -0.064 176.503 176.600 -0.055 0.000 1.030 329 E CA 0.634 57.027 56.400 -0.012 0.000 0.869 329 E CB -0.074 29.631 29.700 0.008 0.000 0.857 329 E HN 0.499 nan 8.360 nan 0.000 0.505 330 N N 0.790 119.469 118.700 -0.036 0.000 2.644 330 N HA 0.123 4.863 4.740 -0.000 0.000 0.313 330 N C -0.741 174.720 175.510 -0.081 0.000 1.863 330 N CA -0.250 52.767 53.050 -0.056 0.000 0.918 330 N CB 0.339 38.814 38.487 -0.020 0.000 1.320 330 N HN -0.033 nan 8.380 nan 0.000 0.490 331 R N 0.450 120.839 120.500 -0.185 0.000 2.865 331 R HA 0.277 4.617 4.340 -0.000 0.000 0.370 331 R C -0.527 175.802 176.300 0.048 0.000 1.168 331 R CA -0.001 56.042 56.100 -0.096 0.000 1.058 331 R CB -0.076 30.184 30.300 -0.067 0.000 1.419 331 R HN 0.118 nan 8.270 nan 0.000 0.580 332 F N -0.625 119.389 119.950 0.106 0.000 2.729 332 F HA 0.197 4.724 4.527 -0.000 0.000 0.315 332 F C 1.243 176.963 175.800 -0.134 0.000 1.102 332 F CA -0.525 57.457 58.000 -0.029 0.000 1.204 332 F CB 0.584 39.545 39.000 -0.064 0.000 1.052 332 F HN 0.078 nan 8.300 nan 0.000 0.551 333 M N -0.300 119.404 119.600 0.174 0.000 2.549 333 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 333 M C 1.917 178.260 176.300 0.071 0.000 1.076 333 M CA 1.210 56.561 55.300 0.085 0.000 1.090 333 M CB -1.668 30.971 32.600 0.064 0.000 1.418 333 M HN 0.437 nan 8.290 nan 0.000 0.486 334 H N -2.376 116.736 119.070 0.071 0.000 2.495 334 H HA 0.068 4.624 4.556 -0.000 0.000 0.287 334 H C 1.870 177.222 175.328 0.040 0.000 1.033 334 H CA 0.616 56.692 56.048 0.045 0.000 1.307 334 H CB -0.734 29.060 29.762 0.053 0.000 1.401 334 H HN 0.088 nan 8.280 nan 0.000 0.555 335 V N 2.357 122.028 119.914 -0.406 0.000 2.261 335 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 335 V C -0.181 175.850 176.094 -0.105 0.000 1.047 335 V CA 2.081 64.212 62.300 -0.281 0.000 1.015 335 V CB -1.168 30.443 31.823 -0.354 0.000 0.642 335 V HN 0.495 nan 8.190 nan 0.000 0.446 336 P HA -0.133 nan 4.420 nan 0.000 0.220 336 P C 1.333 178.630 177.300 -0.004 0.000 1.148 336 P CA 1.219 64.304 63.100 -0.025 0.000 0.803 336 P CB 0.036 31.730 31.700 -0.011 0.000 0.782 337 E N 0.062 120.265 120.200 0.006 0.000 2.107 337 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 337 E C 2.269 178.881 176.600 0.020 0.000 0.982 337 E CA 0.751 57.163 56.400 0.021 0.000 0.809 337 E CB -0.690 29.032 29.700 0.037 0.000 0.756 337 E HN 0.348 nan 8.360 nan 0.000 0.459 338 L N 0.461 121.696 121.223 0.019 0.000 2.156 338 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 338 L C 2.457 179.328 176.870 0.002 0.000 1.095 338 L CA 0.544 55.393 54.840 0.015 0.000 0.770 338 L CB -0.267 41.808 42.059 0.027 0.000 0.914 338 L HN 0.065 nan 8.230 nan 0.000 0.439 339 I N -0.395 120.177 120.570 0.003 0.000 2.361 339 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 339 I C 2.521 178.652 176.117 0.023 0.000 1.133 339 I CA 1.183 62.495 61.300 0.020 0.000 1.413 339 I CB -0.202 37.814 38.000 0.025 0.000 1.073 339 I HN 0.203 nan 8.210 nan 0.000 0.424 340 R N 0.152 120.661 120.500 0.016 0.000 2.235 340 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 340 R C 1.733 178.040 176.300 0.012 0.000 1.059 340 R CA 0.886 56.996 56.100 0.017 0.000 0.997 340 R CB -0.094 30.215 30.300 0.016 0.000 0.884 340 R HN 0.366 nan 8.270 nan 0.000 0.462 341 M N -0.647 118.956 119.600 0.005 0.000 2.505 341 M HA 0.175 4.654 4.480 -0.000 0.000 0.230 341 M C 0.617 176.905 176.300 -0.019 0.000 1.153 341 M CA 0.366 55.664 55.300 -0.003 0.000 0.997 341 M CB 1.231 33.829 32.600 -0.003 0.000 1.606 341 M HN 0.409 nan 8.290 nan 0.000 0.481 342 G N 0.344 109.133 108.800 -0.018 0.000 2.179 342 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 342 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 342 G C 0.186 174.992 174.900 -0.158 0.000 0.990 342 G CA -0.086 44.981 45.100 -0.055 0.000 0.646 342 G HN 0.638 nan 8.290 nan 0.000 0.517 343 A N 0.226 122.986 122.820 -0.100 0.000 2.313 343 A HA 0.675 4.995 4.320 -0.000 0.000 0.261 343 A C -0.006 177.565 177.584 -0.022 0.000 1.090 343 A CA -0.047 51.910 52.037 -0.133 0.000 0.807 343 A CB 0.311 19.283 19.000 -0.048 0.000 1.055 343 A HN 0.538 nan 8.150 nan 0.000 0.492 344 H N -0.329 118.762 119.070 0.036 0.000 2.646 344 H HA 0.721 5.277 4.556 -0.000 0.000 0.328 344 H C -0.219 175.165 175.328 0.093 0.000 0.998 344 H CA 0.020 56.112 56.048 0.073 0.000 1.225 344 H CB 1.241 31.068 29.762 0.107 0.000 1.457 344 H HN 0.960 nan 8.280 nan 0.000 0.505 345 A N 2.661 125.590 122.820 0.182 0.000 2.605 345 A HA 0.627 4.947 4.320 -0.000 0.000 0.294 345 A C -1.244 176.353 177.584 0.022 0.000 1.062 345 A CA -0.840 51.227 52.037 0.050 0.000 0.682 345 A CB 1.694 20.655 19.000 -0.065 0.000 1.278 345 A HN 0.533 nan 8.150 nan 0.000 0.410 346 E N 0.451 120.635 120.200 -0.026 0.000 2.248 346 E HA 0.624 4.974 4.350 -0.000 0.000 0.267 346 E C -1.142 175.391 176.600 -0.111 0.000 0.877 346 E CA -0.235 56.145 56.400 -0.034 0.000 0.759 346 E CB 2.169 31.880 29.700 0.019 0.000 1.182 346 E HN 0.534 nan 8.360 nan 0.000 0.418 347 I N 2.438 122.940 120.570 -0.113 0.000 2.331 347 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 347 I C -0.232 175.851 176.117 -0.057 0.000 0.998 347 I CA -0.228 60.980 61.300 -0.153 0.000 1.267 347 I CB 1.015 38.932 38.000 -0.138 0.000 1.386 347 I HN 0.397 nan 8.210 nan 0.000 0.476 348 E N 5.195 125.369 120.200 -0.042 0.000 2.402 348 E HA 0.345 4.695 4.350 -0.000 0.000 0.244 348 E C -0.108 176.522 176.600 0.050 0.000 0.945 348 E CA -0.179 56.224 56.400 0.005 0.000 0.774 348 E CB 1.597 31.294 29.700 -0.005 0.000 1.296 348 E HN 0.725 nan 8.360 nan 0.000 0.414 349 S N 3.429 119.174 115.700 0.075 0.000 4.064 349 S HA -0.337 4.133 4.470 -0.000 0.000 0.625 349 S C 0.666 175.387 174.600 0.201 0.000 2.010 349 S CA 1.980 60.241 58.200 0.102 0.000 4.186 349 S CB -1.117 62.124 63.200 0.068 0.000 0.211 349 S HN 0.934 nan 8.310 nan 0.000 0.605 350 N N 0.705 119.517 118.700 0.186 0.000 2.346 350 N HA 0.294 5.034 4.740 -0.000 0.000 0.225 350 N C -0.270 175.492 175.510 0.421 0.000 1.144 350 N CA 0.261 53.480 53.050 0.281 0.000 0.837 350 N CB 0.240 38.793 38.487 0.110 0.000 1.069 350 N HN 0.353 nan 8.380 nan 0.000 0.487 351 T N 0.297 115.020 114.554 0.282 0.000 2.893 351 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 351 T C -1.194 173.387 174.700 -0.199 0.000 1.027 351 T CA -0.650 61.508 62.100 0.096 0.000 0.988 351 T CB 2.650 71.537 68.868 0.032 0.000 1.043 351 T HN -0.009 nan 8.240 nan 0.000 0.461 352 V N 4.639 124.353 119.914 -0.333 0.000 2.409 352 V HA 0.540 4.660 4.120 -0.000 0.000 0.291 352 V C -0.970 174.980 176.094 -0.241 0.000 1.020 352 V CA -0.973 61.074 62.300 -0.422 0.000 0.848 352 V CB 0.707 32.157 31.823 -0.621 0.000 0.990 352 V HN 0.727 nan 8.190 nan 0.000 0.430 353 I N 6.874 127.315 120.570 -0.214 0.000 2.312 353 I HA 0.326 4.496 4.170 -0.000 0.000 0.291 353 I C 0.248 176.137 176.117 -0.379 0.000 1.031 353 I CA 0.056 61.209 61.300 -0.245 0.000 1.293 353 I CB 0.526 38.420 38.000 -0.177 0.000 1.403 353 I HN 0.584 nan 8.210 nan 0.000 0.484 354 C N 6.504 125.573 119.300 -0.386 0.000 2.341 354 C HA 0.445 4.905 4.460 -0.000 0.000 0.338 354 C C 0.288 175.003 174.990 -0.459 0.000 1.257 354 C CA -0.586 58.235 59.018 -0.330 0.000 1.883 354 C CB 0.395 28.044 27.740 -0.152 0.000 2.334 354 C HN 0.606 nan 8.230 nan 0.000 0.524 355 H N 1.442 120.531 119.070 0.032 0.000 2.866 355 H HA 0.296 4.852 4.556 -0.000 0.000 0.287 355 H C 0.515 175.869 175.328 0.043 0.000 1.106 355 H CA -0.034 56.046 56.048 0.054 0.000 1.396 355 H CB 1.065 30.885 29.762 0.096 0.000 1.469 355 H HN 0.940 nan 8.280 nan 0.000 0.500 356 G N 1.979 110.829 108.800 0.083 0.000 2.414 356 G HA2 0.294 4.254 3.960 -0.000 0.000 0.236 356 G HA3 0.294 4.254 3.960 -0.000 0.000 0.236 356 G C 0.463 175.372 174.900 0.015 0.000 1.293 356 G CA -0.168 44.949 45.100 0.028 0.000 0.869 356 G HN 0.424 nan 8.290 nan 0.000 0.556 357 V N 0.137 120.021 119.914 -0.049 0.000 2.919 357 V HA 0.548 4.668 4.120 -0.000 0.000 0.316 357 V C 1.048 177.113 176.094 -0.048 0.000 1.077 357 V CA -0.668 61.587 62.300 -0.076 0.000 0.977 357 V CB 2.002 33.705 31.823 -0.201 0.000 1.039 357 V HN 0.842 nan 8.190 nan 0.000 0.441 358 E N 1.086 121.266 120.200 -0.033 0.000 2.106 358 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 358 E C 0.268 176.851 176.600 -0.028 0.000 0.984 358 E CA 0.989 57.377 56.400 -0.021 0.000 0.806 358 E CB 0.284 29.977 29.700 -0.011 0.000 0.750 358 E HN 0.708 nan 8.360 nan 0.000 0.458 359 K N 0.265 120.643 120.400 -0.037 0.000 2.525 359 K HA 0.366 4.686 4.320 -0.000 0.000 0.254 359 K C -1.018 175.555 176.600 -0.046 0.000 0.934 359 K CA -0.532 55.735 56.287 -0.034 0.000 0.802 359 K CB 2.107 34.593 32.500 -0.023 0.000 1.295 359 K HN -0.020 nan 8.250 nan 0.000 0.433 360 L N 0.923 122.122 121.223 -0.039 0.000 2.416 360 L HA 0.469 4.809 4.340 -0.000 0.000 0.262 360 L C 0.054 176.909 176.870 -0.025 0.000 1.093 360 L CA -0.627 54.190 54.840 -0.039 0.000 0.801 360 L CB 1.671 43.710 42.059 -0.032 0.000 1.191 360 L HN 0.541 nan 8.230 nan 0.000 0.459 361 S N -0.534 115.155 115.700 -0.019 0.000 2.513 361 S HA 0.525 4.995 4.470 -0.000 0.000 0.299 361 S C 0.053 174.650 174.600 -0.004 0.000 1.087 361 S CA -0.681 57.513 58.200 -0.010 0.000 1.012 361 S CB 1.836 65.033 63.200 -0.006 0.000 1.044 361 S HN 0.774 nan 8.310 nan 0.000 0.485 362 G N 1.056 109.855 108.800 -0.001 0.000 2.491 362 G HA2 0.522 4.482 3.960 -0.000 0.000 0.238 362 G HA3 0.522 4.482 3.960 -0.000 0.000 0.238 362 G C -0.285 174.620 174.900 0.008 0.000 1.277 362 G CA 0.144 45.247 45.100 0.004 0.000 0.851 362 G HN 1.009 nan 8.290 nan 0.000 0.573 363 A N 1.350 124.178 122.820 0.012 0.000 2.586 363 A HA 0.648 4.968 4.320 -0.000 0.000 0.290 363 A C -0.628 176.968 177.584 0.020 0.000 1.086 363 A CA -0.698 51.348 52.037 0.015 0.000 0.665 363 A CB 1.171 20.180 19.000 0.014 0.000 1.279 363 A HN 0.535 nan 8.150 nan 0.000 0.423 364 Q N 0.971 120.783 119.800 0.021 0.000 2.337 364 Q HA 0.458 4.798 4.340 -0.000 0.000 0.255 364 Q C -0.166 175.849 176.000 0.025 0.000 0.997 364 Q CA -0.086 55.731 55.803 0.025 0.000 0.925 364 Q CB 1.080 29.832 28.738 0.023 0.000 1.212 364 Q HN 1.039 nan 8.270 nan 0.000 0.436 365 V N 0.043 119.975 119.914 0.029 0.000 3.141 365 V HA 0.818 4.938 4.120 -0.000 0.000 0.312 365 V C -0.566 175.546 176.094 0.031 0.000 1.157 365 V CA -1.071 61.246 62.300 0.029 0.000 1.041 365 V CB 2.874 34.714 31.823 0.029 0.000 1.071 365 V HN 0.707 nan 8.190 nan 0.000 0.441 366 M N 1.834 121.450 119.600 0.027 0.000 2.414 366 M HA 0.823 5.303 4.480 -0.000 0.000 0.287 366 M C -1.657 174.647 176.300 0.008 0.000 1.181 366 M CA -0.155 55.158 55.300 0.022 0.000 0.933 366 M CB 1.742 34.360 32.600 0.030 0.000 1.732 366 M HN 1.478 nan 8.290 nan 0.000 0.486 367 A N 1.973 124.780 122.820 -0.023 0.000 2.401 367 A HA 0.757 5.077 4.320 -0.000 0.000 0.310 367 A C 0.260 177.723 177.584 -0.202 0.000 1.075 367 A CA -0.183 51.810 52.037 -0.073 0.000 0.746 367 A CB 1.082 20.042 19.000 -0.066 0.000 1.277 367 A HN 0.887 nan 8.150 nan 0.000 0.425 368 T N -1.785 112.612 114.554 -0.262 0.000 3.223 368 T HA 0.430 4.780 4.350 -0.000 0.000 0.259 368 T C -0.297 173.867 174.700 -0.893 0.000 1.015 368 T CA 0.423 62.245 62.100 -0.463 0.000 0.908 368 T CB -1.216 67.563 68.868 -0.148 0.000 1.054 368 T HN 0.839 nan 8.240 nan 0.000 0.567 369 D N -1.054 118.860 120.400 -0.810 0.000 2.609 369 D HA 0.381 5.020 4.640 -0.000 0.000 0.239 369 D C 0.803 176.918 176.300 -0.308 0.000 1.229 369 D CA -1.060 52.596 54.000 -0.574 0.000 0.808 369 D CB 0.836 41.469 40.800 -0.279 0.000 1.448 369 D HN -0.114 nan 8.370 nan 0.000 0.433 370 L N 1.109 122.273 121.223 -0.099 0.000 1.987 370 L HA -0.227 4.113 4.340 -0.000 0.000 0.230 370 L C 1.944 178.849 176.870 0.059 0.000 1.089 370 L CA 2.018 56.883 54.840 0.042 0.000 0.802 370 L CB -0.627 41.471 42.059 0.065 0.000 0.905 370 L HN 0.536 nan 8.230 nan 0.000 0.441 371 R N -0.062 120.451 120.500 0.022 0.000 2.092 371 R HA 0.029 4.369 4.340 -0.000 0.000 0.231 371 R C 2.207 178.481 176.300 -0.043 0.000 1.119 371 R CA 1.333 57.453 56.100 0.034 0.000 0.970 371 R CB -1.534 28.772 30.300 0.010 0.000 0.864 371 R HN 0.616 nan 8.270 nan 0.000 0.440 372 A N 0.428 123.195 122.820 -0.089 0.000 1.930 372 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 372 A C 2.418 179.969 177.584 -0.054 0.000 1.175 372 A CA 1.806 53.784 52.037 -0.099 0.000 0.627 372 A CB -0.556 18.418 19.000 -0.045 0.000 0.815 372 A HN 0.322 nan 8.150 nan 0.000 0.443 373 S N -0.367 115.298 115.700 -0.059 0.000 2.356 373 S HA -0.042 4.428 4.470 -0.000 0.000 0.223 373 S C 2.219 176.802 174.600 -0.028 0.000 1.032 373 S CA 1.556 59.737 58.200 -0.032 0.000 1.005 373 S CB -0.487 62.699 63.200 -0.023 0.000 0.867 373 S HN 0.810 nan 8.310 nan 0.000 0.449 374 A N 0.719 123.505 122.820 -0.057 0.000 1.940 374 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 374 A C 2.380 179.875 177.584 -0.148 0.000 1.176 374 A CA 2.134 54.064 52.037 -0.179 0.000 0.631 374 A CB -1.077 17.727 19.000 -0.327 0.000 0.814 374 A HN 0.573 nan 8.150 nan 0.000 0.446 375 S N -0.120 115.525 115.700 -0.092 0.000 2.382 375 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 375 S C 1.758 176.332 174.600 -0.044 0.000 1.027 375 S CA 1.387 59.543 58.200 -0.074 0.000 0.991 375 S CB -0.409 62.745 63.200 -0.075 0.000 0.823 375 S HN 0.532 nan 8.310 nan 0.000 0.469 376 L N 0.864 122.074 121.223 -0.021 0.000 2.093 376 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 376 L C 2.277 179.141 176.870 -0.011 0.000 1.085 376 L CA 0.690 55.532 54.840 0.002 0.000 0.755 376 L CB -0.627 41.445 42.059 0.022 0.000 0.904 376 L HN 0.200 nan 8.230 nan 0.000 0.435 377 V N -0.088 119.809 119.914 -0.028 0.000 2.358 377 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 377 V C 2.398 178.440 176.094 -0.087 0.000 1.047 377 V CA 1.421 63.690 62.300 -0.051 0.000 1.035 377 V CB -0.319 31.454 31.823 -0.084 0.000 0.658 377 V HN 0.253 nan 8.190 nan 0.000 0.452 378 L N 0.443 121.603 121.223 -0.105 0.000 2.083 378 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 378 L C 2.614 179.448 176.870 -0.061 0.000 1.083 378 L CA 2.175 56.958 54.840 -0.096 0.000 0.752 378 L CB -1.139 40.854 42.059 -0.111 0.000 0.899 378 L HN 0.285 nan 8.230 nan 0.000 0.433 379 A N -0.363 122.431 122.820 -0.044 0.000 1.902 379 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 379 A C 2.448 180.017 177.584 -0.024 0.000 1.181 379 A CA 1.685 53.706 52.037 -0.027 0.000 0.623 379 A CB -1.384 17.611 19.000 -0.009 0.000 0.818 379 A HN 0.433 nan 8.150 nan 0.000 0.443 380 G N -0.999 107.788 108.800 -0.023 0.000 2.422 380 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 380 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 380 G C 1.536 176.420 174.900 -0.027 0.000 1.146 380 G CA 1.283 46.373 45.100 -0.017 0.000 0.769 380 G HN 0.526 nan 8.290 nan 0.000 0.547 381 C N 0.738 120.013 119.300 -0.041 0.000 2.422 381 C HA 0.015 4.475 4.460 -0.000 0.000 0.279 381 C C 2.669 177.641 174.990 -0.030 0.000 1.305 381 C CA 0.924 59.917 59.018 -0.041 0.000 1.757 381 C CB -0.906 26.804 27.740 -0.050 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.055 119.497 120.570 -0.029 0.000 3.968 382 I HA 0.361 4.531 4.170 -0.000 0.000 0.328 382 I C 1.092 177.197 176.117 -0.021 0.000 1.290 382 I CA -0.049 61.236 61.300 -0.024 0.000 1.163 382 I CB -0.420 37.564 38.000 -0.027 0.000 1.024 382 I HN 0.069 nan 8.210 nan 0.000 0.413 383 A N 1.840 124.648 122.820 -0.019 0.000 2.313 383 A HA 0.340 4.660 4.320 -0.000 0.000 0.261 383 A C 0.060 177.636 177.584 -0.012 0.000 1.090 383 A CA -0.305 51.723 52.037 -0.016 0.000 0.807 383 A CB 0.166 19.159 19.000 -0.013 0.000 1.055 383 A HN 0.441 nan 8.150 nan 0.000 0.492 384 E N 0.333 120.527 120.200 -0.011 0.000 2.194 384 E HA 0.457 4.807 4.350 -0.000 0.000 0.284 384 E C 0.613 177.210 176.600 -0.004 0.000 1.035 384 E CA 0.650 57.045 56.400 -0.007 0.000 0.836 384 E CB 0.750 30.446 29.700 -0.007 0.000 1.070 384 E HN 1.240 nan 8.360 nan 0.000 0.401 385 G N 3.051 111.849 108.800 -0.003 0.000 2.451 385 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.208 385 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.208 385 G C -0.505 174.397 174.900 0.003 0.000 1.248 385 G CA -0.705 44.395 45.100 0.001 0.000 0.989 385 G HN 0.446 nan 8.290 nan 0.000 0.559 386 T N 1.239 115.797 114.554 0.007 0.000 2.795 386 T HA 0.677 5.027 4.350 -0.000 0.000 0.282 386 T C -0.175 174.534 174.700 0.014 0.000 0.980 386 T CA 0.270 62.377 62.100 0.011 0.000 1.012 386 T CB 1.577 70.454 68.868 0.014 0.000 0.936 386 T HN 0.731 nan 8.240 nan 0.000 0.457 387 T N 2.639 117.204 114.554 0.018 0.000 2.841 387 T HA 0.550 4.900 4.350 -0.000 0.000 0.283 387 T C -0.594 174.130 174.700 0.039 0.000 1.000 387 T CA -0.515 61.599 62.100 0.024 0.000 0.977 387 T CB 1.310 70.189 68.868 0.018 0.000 0.979 387 T HN 0.333 nan 8.240 nan 0.000 0.446 388 V N 3.985 123.925 119.914 0.043 0.000 2.376 388 V HA 0.388 4.508 4.120 -0.000 0.000 0.287 388 V C -0.273 175.857 176.094 0.059 0.000 1.015 388 V CA -0.765 61.569 62.300 0.057 0.000 0.834 388 V CB 1.672 33.522 31.823 0.044 0.000 1.001 388 V HN 0.724 nan 8.190 nan 0.000 0.428 389 V N 3.955 123.921 119.914 0.086 0.000 2.364 389 V HA 0.338 4.457 4.120 -0.000 0.000 0.272 389 V C 0.094 176.219 176.094 0.052 0.000 1.036 389 V CA -0.412 61.933 62.300 0.075 0.000 0.880 389 V CB 1.457 33.344 31.823 0.108 0.000 0.991 389 V HN 0.846 nan 8.190 nan 0.000 0.460 390 D N 3.758 124.179 120.400 0.036 0.000 2.354 390 D HA 0.322 4.962 4.640 -0.000 0.000 0.247 390 D C 0.768 177.083 176.300 0.025 0.000 1.138 390 D CA -0.279 53.737 54.000 0.028 0.000 0.958 390 D CB 0.555 41.377 40.800 0.037 0.000 1.144 390 D HN 0.515 nan 8.370 nan 0.000 0.458 391 R N 1.222 121.747 120.500 0.040 0.000 3.333 391 R HA -0.194 4.146 4.340 -0.000 0.000 0.256 391 R C 0.927 177.163 176.300 -0.106 0.000 1.010 391 R CA 0.542 56.674 56.100 0.054 0.000 0.680 391 R CB -2.231 28.133 30.300 0.106 0.000 1.102 391 R HN 0.440 nan 8.270 nan 0.000 0.440 392 I N -2.358 118.144 120.570 -0.112 0.000 3.334 392 I HA -0.114 4.056 4.170 -0.000 0.000 0.282 392 I C 1.933 177.959 176.117 -0.151 0.000 1.313 392 I CA 0.486 61.691 61.300 -0.159 0.000 1.396 392 I CB -0.888 36.910 38.000 -0.336 0.000 1.054 392 I HN 0.349 nan 8.210 nan 0.000 0.495 393 Y N 0.057 120.278 120.300 -0.131 0.000 2.403 393 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 393 Y C 2.200 178.037 175.900 -0.105 0.000 1.143 393 Y CA 1.320 59.336 58.100 -0.141 0.000 1.257 393 Y CB -1.732 36.613 38.460 -0.192 0.000 0.984 393 Y HN 0.228 nan 8.280 nan 0.000 0.550 394 H N 0.404 119.118 119.070 -0.593 0.000 2.387 394 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 394 H C 2.034 177.327 175.328 -0.059 0.000 1.099 394 H CA 2.269 58.105 56.048 -0.354 0.000 1.315 394 H CB -0.155 29.364 29.762 -0.405 0.000 1.380 394 H HN 0.393 nan 8.280 nan 0.000 0.513 395 I N 0.464 121.097 120.570 0.106 0.000 2.315 395 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 395 I C 1.511 177.783 176.117 0.259 0.000 1.117 395 I CA 1.024 62.451 61.300 0.212 0.000 1.404 395 I CB -0.125 37.976 38.000 0.167 0.000 1.071 395 I HN 0.281 nan 8.210 nan 0.000 0.419 396 D N 0.911 121.414 120.400 0.171 0.000 2.265 396 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 396 D C 2.216 178.601 176.300 0.142 0.000 0.977 396 D CA 0.929 55.024 54.000 0.159 0.000 0.871 396 D CB -0.208 40.663 40.800 0.118 0.000 0.925 396 D HN 0.372 nan 8.370 nan 0.000 0.485 397 R N -0.332 120.250 120.500 0.136 0.000 2.148 397 R HA 0.038 4.378 4.340 -0.000 0.000 0.223 397 R C 1.961 178.308 176.300 0.079 0.000 1.088 397 R CA 1.163 57.327 56.100 0.106 0.000 0.985 397 R CB 0.071 30.436 30.300 0.107 0.000 0.880 397 R HN 0.142 nan 8.270 nan 0.000 0.451 398 G N -1.466 107.389 108.800 0.091 0.000 2.958 398 G HA2 0.082 4.042 3.960 -0.000 0.000 0.225 398 G HA3 0.082 4.042 3.960 -0.000 0.000 0.225 398 G C -0.388 174.378 174.900 -0.224 0.000 1.036 398 G CA -0.192 44.867 45.100 -0.068 0.000 0.880 398 G HN 0.051 nan 8.290 nan 0.000 0.557 399 Y N 0.688 121.029 120.300 0.069 0.000 2.350 399 Y HA 0.470 5.020 4.550 -0.000 0.000 0.338 399 Y C -0.119 175.842 175.900 0.102 0.000 0.961 399 Y CA -1.380 56.772 58.100 0.087 0.000 1.100 399 Y CB 1.808 40.319 38.460 0.085 0.000 1.179 399 Y HN 0.018 nan 8.280 nan 0.000 0.454 400 E N 4.083 124.417 120.200 0.224 0.000 2.194 400 E HA 0.305 4.655 4.350 -0.000 0.000 0.284 400 E C -0.293 176.422 176.600 0.192 0.000 1.035 400 E CA -0.437 56.063 56.400 0.168 0.000 0.836 400 E CB 0.346 30.112 29.700 0.109 0.000 1.070 400 E HN 0.725 nan 8.360 nan 0.000 0.401 401 R N 3.531 124.133 120.500 0.169 0.000 3.333 401 R HA -0.220 4.119 4.340 -0.000 0.000 0.256 401 R C 1.075 177.476 176.300 0.169 0.000 1.010 401 R CA 0.532 56.720 56.100 0.148 0.000 0.680 401 R CB -1.939 28.422 30.300 0.101 0.000 1.102 401 R HN 0.780 nan 8.270 nan 0.000 0.440 402 I N 0.405 121.098 120.570 0.206 0.000 2.361 402 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 402 I C 2.421 178.563 176.117 0.041 0.000 1.133 402 I CA 1.813 63.214 61.300 0.168 0.000 1.413 402 I CB -0.030 37.984 38.000 0.024 0.000 1.073 402 I HN 0.451 nan 8.210 nan 0.000 0.424 403 E N 0.671 120.883 120.200 0.020 0.000 2.028 403 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 403 E C 1.653 178.234 176.600 -0.032 0.000 0.988 403 E CA 1.662 58.010 56.400 -0.087 0.000 0.799 403 E CB 0.023 29.752 29.700 0.048 0.000 0.755 403 E HN 0.474 nan 8.360 nan 0.000 0.447 404 D N 0.438 120.851 120.400 0.021 0.000 2.117 404 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 404 D C 1.871 178.162 176.300 -0.015 0.000 0.987 404 D CA 1.026 55.031 54.000 0.007 0.000 0.829 404 D CB -0.058 40.754 40.800 0.020 0.000 0.961 404 D HN 0.178 nan 8.370 nan 0.000 0.460 405 K N 0.298 120.697 120.400 -0.001 0.000 2.026 405 K HA -0.032 4.288 4.320 -0.000 0.000 0.208 405 K C 2.364 178.933 176.600 -0.052 0.000 1.048 405 K CA 0.557 56.803 56.287 -0.069 0.000 0.929 405 K CB -0.110 32.335 32.500 -0.091 0.000 0.713 405 K HN 0.098 nan 8.250 nan 0.000 0.439 406 L N 0.390 121.635 121.223 0.036 0.000 2.093 406 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 406 L C 2.656 179.507 176.870 -0.032 0.000 1.085 406 L CA 1.026 55.884 54.840 0.029 0.000 0.755 406 L CB -0.258 41.786 42.059 -0.026 0.000 0.904 406 L HN 0.144 nan 8.230 nan 0.000 0.435 407 R N 0.275 120.746 120.500 -0.049 0.000 2.096 407 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 407 R C 2.239 178.515 176.300 -0.040 0.000 1.127 407 R CA 1.344 57.417 56.100 -0.045 0.000 0.968 407 R CB -0.219 30.059 30.300 -0.038 0.000 0.861 407 R HN 0.332 nan 8.270 nan 0.000 0.440 408 A N 0.189 122.980 122.820 -0.048 0.000 2.067 408 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 408 A C 1.808 179.357 177.584 -0.060 0.000 1.158 408 A CA 0.862 52.866 52.037 -0.056 0.000 0.661 408 A CB -0.215 18.742 19.000 -0.071 0.000 0.801 408 A HN 0.348 nan 8.150 nan 0.000 0.452 409 L N -1.764 119.425 121.223 -0.057 0.000 2.592 409 L HA 0.264 4.604 4.340 -0.000 0.000 0.227 409 L C 1.591 178.443 176.870 -0.029 0.000 1.127 409 L CA 0.582 55.395 54.840 -0.045 0.000 0.884 409 L CB 0.138 42.180 42.059 -0.028 0.000 1.065 409 L HN 0.538 nan 8.230 nan 0.000 0.457 410 G N -0.393 108.388 108.800 -0.031 0.000 2.192 410 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.193 410 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.193 410 G C 0.382 175.266 174.900 -0.028 0.000 0.999 410 G CA -0.190 44.894 45.100 -0.027 0.000 0.659 410 G HN 0.399 nan 8.290 nan 0.000 0.503 411 A N -0.034 122.766 122.820 -0.034 0.000 2.407 411 A HA 0.601 4.921 4.320 -0.000 0.000 0.248 411 A C 0.332 177.889 177.584 -0.045 0.000 1.082 411 A CA 0.684 52.694 52.037 -0.045 0.000 0.785 411 A CB 0.199 19.160 19.000 -0.066 0.000 1.020 411 A HN 0.748 nan 8.150 nan 0.000 0.489 412 N N 1.251 119.926 118.700 -0.041 0.000 2.589 412 N HA 0.519 5.259 4.740 -0.000 0.000 0.232 412 N C -0.993 174.493 175.510 -0.040 0.000 1.015 412 N CA -0.242 52.790 53.050 -0.030 0.000 0.931 412 N CB 0.232 38.708 38.487 -0.018 0.000 1.150 412 N HN 0.652 nan 8.380 nan 0.000 0.512 413 I N 1.582 122.122 120.570 -0.050 0.000 2.686 413 I HA 0.414 4.584 4.170 -0.000 0.000 0.295 413 I C -1.541 174.573 176.117 -0.004 0.000 1.114 413 I CA -0.611 60.649 61.300 -0.068 0.000 1.038 413 I CB 1.977 39.853 38.000 -0.206 0.000 1.238 413 I HN 0.494 nan 8.210 nan 0.000 0.420 414 E N 6.655 126.901 120.200 0.078 0.000 2.308 414 E HA 0.384 4.734 4.350 -0.000 0.000 0.275 414 E C -1.518 175.260 176.600 0.296 0.000 0.890 414 E CA -0.937 55.548 56.400 0.142 0.000 0.754 414 E CB 2.036 31.790 29.700 0.089 0.000 1.207 414 E HN 0.623 nan 8.360 nan 0.000 0.426 415 R N 3.265 123.942 120.500 0.294 0.000 2.221 415 R HA 0.394 4.734 4.340 -0.000 0.000 0.327 415 R C -0.651 175.696 176.300 0.078 0.000 1.033 415 R CA -0.461 55.767 56.100 0.214 0.000 0.887 415 R CB 0.956 31.349 30.300 0.155 0.000 1.057 415 R HN 0.367 nan 8.270 nan 0.000 0.455 416 V N 1.511 121.443 119.914 0.029 0.000 2.769 416 V HA 0.378 4.498 4.120 -0.000 0.000 0.312 416 V C 0.808 176.894 176.094 -0.013 0.000 1.061 416 V CA -0.886 61.424 62.300 0.017 0.000 0.931 416 V CB 2.041 33.883 31.823 0.031 0.000 1.010 416 V HN 0.888 nan 8.190 nan 0.000 0.433 417 K N 2.464 122.860 120.400 -0.007 0.000 2.155 417 K HA 0.220 4.540 4.320 -0.000 0.000 0.203 417 K C 1.017 177.611 176.600 -0.010 0.000 1.052 417 K CA 1.276 57.555 56.287 -0.014 0.000 0.948 417 K CB -0.518 31.977 32.500 -0.008 0.000 0.728 417 K HN 1.679 nan 8.250 nan 0.000 0.448 418 G N 1.453 110.252 108.800 -0.001 0.000 2.894 418 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.247 418 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.247 418 G C -0.706 174.196 174.900 0.002 0.000 1.442 418 G CA -0.124 44.978 45.100 0.003 0.000 0.897 418 G HN 0.357 nan 8.290 nan 0.000 0.550 419 E N 0.000 120.203 120.200 0.005 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.402 56.400 0.004 0.000 0.976 419 E CB 0.000 29.704 29.700 0.006 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440