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 1naw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERNGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR 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 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 D N 4.200 124.581 120.400 -0.033 0.000 2.488 2 D HA 0.277 4.921 4.640 0.007 0.000 0.238 2 D C -0.803 175.444 176.300 -0.089 0.000 1.138 2 D CA 0.802 54.768 54.000 -0.057 0.000 0.873 2 D CB 0.608 41.355 40.800 -0.089 0.000 1.183 2 D HN 0.332 nan 8.370 nan 0.000 0.458 3 K N 0.863 121.213 120.400 -0.083 0.000 2.444 3 K HA 0.542 4.866 4.320 0.007 0.000 0.252 3 K C -1.024 175.565 176.600 -0.018 0.000 0.993 3 K CA -0.860 55.389 56.287 -0.065 0.000 0.847 3 K CB 1.683 34.191 32.500 0.014 0.000 1.340 3 K HN 0.151 nan 8.250 nan 0.000 0.446 4 F N 1.436 121.395 119.950 0.016 0.000 2.467 4 F HA 0.402 4.931 4.527 0.003 0.000 0.336 4 F C 0.080 175.884 175.800 0.006 0.000 1.123 4 F CA -0.929 57.076 58.000 0.007 0.000 0.964 4 F CB 1.634 40.632 39.000 -0.003 0.000 1.136 4 F HN 0.286 nan 8.300 nan 0.000 0.447 5 R N 3.909 124.539 120.500 0.217 0.000 2.295 5 R HA 0.744 5.088 4.340 0.007 0.000 0.324 5 R C -2.027 174.306 176.300 0.054 0.000 0.968 5 R CA -0.346 55.818 56.100 0.106 0.000 0.837 5 R CB 1.024 31.369 30.300 0.074 0.000 1.133 5 R HN 0.475 nan 8.270 nan 0.000 0.450 6 V N 3.848 123.782 119.914 0.034 0.000 2.555 6 V HA 0.366 4.490 4.120 0.007 0.000 0.302 6 V C -0.364 175.728 176.094 -0.004 0.000 1.038 6 V CA -0.938 61.358 62.300 -0.007 0.000 0.887 6 V CB 1.809 33.621 31.823 -0.018 0.000 0.991 6 V HN 0.730 nan 8.190 nan 0.000 0.434 7 Q N 2.204 121.995 119.800 -0.015 0.000 2.341 7 Q HA 0.634 4.978 4.340 0.007 0.000 0.268 7 Q C -0.013 175.978 176.000 -0.015 0.000 1.013 7 Q CA -0.132 55.665 55.803 -0.010 0.000 0.798 7 Q CB 2.495 31.227 28.738 -0.009 0.000 1.253 7 Q HN 1.032 nan 8.270 nan 0.000 0.457 8 G N 2.861 111.654 108.800 -0.011 0.000 3.042 8 G HA2 0.721 4.685 3.960 0.007 0.000 0.278 8 G HA3 0.721 4.685 3.960 0.007 0.000 0.278 8 G C -2.796 172.099 174.900 -0.009 0.000 1.371 8 G CA -1.177 43.916 45.100 -0.012 0.000 1.009 8 G HN 0.308 nan 8.290 nan 0.000 0.523 9 P HA 0.378 nan 4.420 nan 0.000 0.281 9 P C -0.675 176.618 177.300 -0.012 0.000 1.249 9 P CA -0.115 62.979 63.100 -0.011 0.000 0.810 9 P CB 1.616 33.310 31.700 -0.010 0.000 1.008 10 T N -0.993 113.552 114.554 -0.015 0.000 2.912 10 T HA 0.492 4.846 4.350 0.007 0.000 0.299 10 T C -0.414 174.278 174.700 -0.014 0.000 1.052 10 T CA -1.034 61.057 62.100 -0.015 0.000 0.996 10 T CB 1.769 70.625 68.868 -0.019 0.000 1.070 10 T HN 0.421 nan 8.240 nan 0.000 0.465 11 R N 2.164 122.657 120.500 -0.012 0.000 2.254 11 R HA 0.550 4.894 4.340 0.007 0.000 0.318 11 R C -0.881 175.413 176.300 -0.010 0.000 1.031 11 R CA -0.752 55.342 56.100 -0.010 0.000 0.905 11 R CB 0.294 30.588 30.300 -0.009 0.000 1.050 11 R HN 0.683 nan 8.270 nan 0.000 0.456 12 L N 6.254 127.474 121.223 -0.005 0.000 2.257 12 L HA 0.325 4.669 4.340 0.007 0.000 0.290 12 L C -0.231 176.640 176.870 0.002 0.000 1.044 12 L CA -0.251 54.591 54.840 0.004 0.000 0.810 12 L CB 1.103 43.176 42.059 0.023 0.000 1.193 12 L HN 0.719 nan 8.230 nan 0.000 0.425 13 Q N 2.839 122.634 119.800 -0.007 0.000 2.435 13 Q HA 0.866 5.210 4.340 0.007 0.000 0.282 13 Q C -0.440 175.545 176.000 -0.025 0.000 1.020 13 Q CA -0.679 55.115 55.803 -0.015 0.000 0.820 13 Q CB 3.040 31.765 28.738 -0.021 0.000 1.436 13 Q HN 0.637 nan 8.270 nan 0.000 0.395 14 G N 1.030 109.811 108.800 -0.032 0.000 2.247 14 G HA2 0.042 4.006 3.960 0.007 0.000 0.229 14 G HA3 0.042 4.006 3.960 0.007 0.000 0.229 14 G C -1.632 173.236 174.900 -0.053 0.000 1.345 14 G CA -0.608 44.465 45.100 -0.045 0.000 1.100 14 G HN 0.650 nan 8.290 nan 0.000 0.473 15 E N -1.351 118.807 120.200 -0.070 0.000 2.277 15 E HA 0.656 5.010 4.350 0.007 0.000 0.266 15 E C -1.310 175.214 176.600 -0.126 0.000 0.901 15 E CA -0.921 55.431 56.400 -0.080 0.000 0.782 15 E CB 3.129 32.783 29.700 -0.076 0.000 1.228 15 E HN 0.824 nan 8.360 nan 0.000 0.424 16 V N 1.277 121.102 119.914 -0.149 0.000 2.851 16 V HA 0.342 4.466 4.120 0.007 0.000 0.307 16 V C -1.290 174.706 176.094 -0.163 0.000 1.129 16 V CA -0.315 61.829 62.300 -0.260 0.000 0.932 16 V CB 2.389 33.879 31.823 -0.554 0.000 1.024 16 V HN 0.716 nan 8.190 nan 0.000 0.426 17 T N 7.819 122.284 114.554 -0.148 0.000 2.744 17 T HA 0.518 4.872 4.350 0.007 0.000 0.291 17 T C -0.114 174.552 174.700 -0.057 0.000 0.957 17 T CA -0.228 61.830 62.100 -0.071 0.000 1.002 17 T CB 0.525 69.364 68.868 -0.049 0.000 0.919 17 T HN 0.455 nan 8.240 nan 0.000 0.468 18 I N 3.193 123.760 120.570 -0.005 0.000 2.496 18 I HA 0.188 4.362 4.170 0.007 0.000 0.285 18 I C 1.103 177.238 176.117 0.030 0.000 1.080 18 I CA -0.091 61.235 61.300 0.043 0.000 1.404 18 I CB 0.634 38.677 38.000 0.071 0.000 1.403 18 I HN 0.552 nan 8.210 nan 0.000 0.539 19 S N 3.930 119.658 115.700 0.047 0.000 2.632 19 S HA 0.493 4.967 4.470 0.007 0.000 0.267 19 S C 0.622 175.225 174.600 0.005 0.000 1.276 19 S CA -0.618 57.597 58.200 0.024 0.000 0.998 19 S CB 1.327 64.550 63.200 0.038 0.000 0.953 19 S HN 0.846 nan 8.310 nan 0.000 0.547 20 G N 0.356 109.147 108.800 -0.015 0.000 2.491 20 G HA2 0.452 4.416 3.960 0.007 0.000 0.242 20 G HA3 0.452 4.416 3.960 0.007 0.000 0.242 20 G C -0.078 174.803 174.900 -0.032 0.000 1.266 20 G CA -0.436 44.645 45.100 -0.030 0.000 0.844 20 G HN 0.896 nan 8.290 nan 0.000 0.571 21 A N 1.994 124.792 122.820 -0.036 0.000 2.454 21 A HA 0.290 4.614 4.320 0.007 0.000 0.260 21 A C 1.621 179.183 177.584 -0.036 0.000 1.106 21 A CA -0.207 51.804 52.037 -0.043 0.000 0.780 21 A CB 0.514 19.487 19.000 -0.044 0.000 1.044 21 A HN 0.828 nan 8.150 nan 0.000 0.498 22 K N 2.477 122.857 120.400 -0.033 0.000 2.103 22 K HA -0.189 4.135 4.320 0.007 0.000 0.207 22 K C 0.888 177.506 176.600 0.030 0.000 1.048 22 K CA 2.218 58.501 56.287 -0.008 0.000 0.930 22 K CB -0.155 32.337 32.500 -0.013 0.000 0.716 22 K HN 0.872 nan 8.250 nan 0.000 0.444 23 N N -0.410 118.306 118.700 0.026 0.000 2.461 23 N HA -0.011 4.733 4.740 0.007 0.000 0.188 23 N C 1.120 176.645 175.510 0.024 0.000 1.134 23 N CA 0.334 53.430 53.050 0.077 0.000 0.878 23 N CB 0.388 38.914 38.487 0.065 0.000 0.972 23 N HN 0.207 nan 8.380 nan 0.000 0.456 24 A N 0.569 123.374 122.820 -0.025 0.000 1.944 24 A HA 0.430 4.754 4.320 0.007 0.000 0.207 24 A C 2.198 179.722 177.584 -0.101 0.000 1.265 24 A CA 0.579 52.575 52.037 -0.069 0.000 0.712 24 A CB -0.545 18.426 19.000 -0.048 0.000 0.915 24 A HN 0.219 nan 8.150 nan 0.000 0.470 25 A N 0.333 123.110 122.820 -0.072 0.000 1.877 25 A HA -0.054 4.270 4.320 0.007 0.000 0.216 25 A C 2.149 179.688 177.584 -0.075 0.000 1.186 25 A CA 1.543 53.522 52.037 -0.097 0.000 0.620 25 A CB -0.748 18.210 19.000 -0.070 0.000 0.822 25 A HN 0.442 nan 8.150 nan 0.000 0.443 26 L N -0.045 121.203 121.223 0.041 0.000 1.989 26 L HA -0.134 4.210 4.340 0.007 0.000 0.211 26 L C -0.182 176.796 176.870 0.179 0.000 1.071 26 L CA 1.932 56.898 54.840 0.210 0.000 0.749 26 L CB -1.523 40.800 42.059 0.439 0.000 0.890 26 L HN 0.312 nan 8.230 nan 0.000 0.431 27 P HA -0.184 nan 4.420 nan 0.000 0.218 27 P C 1.797 178.896 177.300 -0.335 0.000 1.149 27 P CA 1.675 64.356 63.100 -0.697 0.000 0.817 27 P CB 0.021 31.046 31.700 -1.125 0.000 0.785 28 I N -0.856 119.519 120.570 -0.326 0.000 2.252 28 I HA -0.195 3.979 4.170 0.007 0.000 0.245 28 I C 2.675 178.525 176.117 -0.445 0.000 1.102 28 I CA 1.019 61.998 61.300 -0.536 0.000 1.385 28 I CB -0.609 36.930 38.000 -0.768 0.000 1.064 28 I HN -0.159 nan 8.210 nan 0.000 0.414 29 L N -0.296 120.749 121.223 -0.297 0.000 2.012 29 L HA -0.242 4.102 4.340 0.007 0.000 0.210 29 L C 2.518 179.272 176.870 -0.193 0.000 1.073 29 L CA 1.666 56.345 54.840 -0.269 0.000 0.748 29 L CB -0.620 41.237 42.059 -0.335 0.000 0.891 29 L HN 0.118 nan 8.230 nan 0.000 0.431 30 F N -0.208 119.738 119.950 -0.006 0.000 2.186 30 F HA -0.158 4.372 4.527 0.006 0.000 0.299 30 F C 2.571 178.410 175.800 0.064 0.000 1.090 30 F CA 1.105 59.146 58.000 0.067 0.000 1.307 30 F CB -0.820 38.266 39.000 0.143 0.000 1.019 30 F HN 0.004 nan 8.300 nan 0.000 0.489 31 A N -0.052 122.877 122.820 0.181 0.000 2.019 31 A HA -0.018 4.306 4.320 0.007 0.000 0.219 31 A C 2.341 180.088 177.584 0.272 0.000 1.164 31 A CA 1.359 53.512 52.037 0.193 0.000 0.644 31 A CB -1.170 17.955 19.000 0.209 0.000 0.805 31 A HN 0.282 nan 8.150 nan 0.000 0.449 32 A N -0.334 122.649 122.820 0.271 0.000 2.125 32 A HA 0.025 4.349 4.320 0.007 0.000 0.219 32 A C 1.954 179.651 177.584 0.189 0.000 1.156 32 A CA 1.105 53.305 52.037 0.272 0.000 0.671 32 A CB -0.552 18.555 19.000 0.179 0.000 0.794 32 A HN 0.499 nan 8.150 nan 0.000 0.459 33 L N -0.895 120.447 121.223 0.200 0.000 2.265 33 L HA -0.143 4.201 4.340 0.007 0.000 0.215 33 L C 2.033 179.033 176.870 0.217 0.000 1.117 33 L CA 0.799 55.792 54.840 0.256 0.000 0.782 33 L CB -0.320 41.933 42.059 0.322 0.000 0.914 33 L HN 0.421 nan 8.230 nan 0.000 0.441 34 L N -0.574 120.718 121.223 0.115 0.000 2.492 34 L HA 0.099 4.443 4.340 0.007 0.000 0.223 34 L C 1.254 178.113 176.870 -0.018 0.000 1.132 34 L CA -0.374 54.467 54.840 0.001 0.000 0.850 34 L CB -0.331 41.718 42.059 -0.016 0.000 0.966 34 L HN 0.094 nan 8.230 nan 0.000 0.454 35 A N 0.263 123.103 122.820 0.033 0.000 2.354 35 A HA 0.138 4.462 4.320 0.007 0.000 0.281 35 A C 1.055 178.664 177.584 0.041 0.000 1.174 35 A CA -0.293 51.752 52.037 0.013 0.000 0.828 35 A CB 0.251 19.278 19.000 0.045 0.000 1.099 35 A HN 0.271 nan 8.150 nan 0.000 0.516 36 E N 1.495 121.703 120.200 0.014 0.000 2.285 36 E HA -0.070 4.284 4.350 0.007 0.000 0.194 36 E C -0.022 176.607 176.600 0.049 0.000 0.997 36 E CA 0.817 57.238 56.400 0.035 0.000 0.845 36 E CB 0.280 29.984 29.700 0.007 0.000 0.782 36 E HN 0.854 nan 8.360 nan 0.000 0.491 37 E N 0.632 120.855 120.200 0.039 0.000 2.235 37 E HA 0.250 4.604 4.350 0.007 0.000 0.265 37 E C -2.557 174.083 176.600 0.066 0.000 0.940 37 E CA -2.490 53.938 56.400 0.047 0.000 0.819 37 E CB 1.327 31.047 29.700 0.032 0.000 1.206 37 E HN -0.106 nan 8.360 nan 0.000 0.409 38 P HA -0.038 nan 4.420 nan 0.000 0.267 38 P C -0.765 176.608 177.300 0.121 0.000 1.200 38 P CA -0.021 63.144 63.100 0.109 0.000 0.772 38 P CB 0.409 32.178 31.700 0.116 0.000 0.855 39 V N -1.044 118.957 119.914 0.145 0.000 2.876 39 V HA 0.581 4.705 4.120 0.007 0.000 0.312 39 V C -0.614 175.542 176.094 0.102 0.000 1.085 39 V CA -1.072 61.313 62.300 0.142 0.000 0.945 39 V CB 2.234 34.171 31.823 0.190 0.000 1.017 39 V HN 0.537 nan 8.190 nan 0.000 0.428 40 E N 3.500 123.722 120.200 0.038 0.000 2.129 40 E HA 0.486 4.840 4.350 0.007 0.000 0.268 40 E C -1.351 175.139 176.600 -0.182 0.000 0.900 40 E CA -0.868 55.400 56.400 -0.220 0.000 0.755 40 E CB 1.529 31.111 29.700 -0.197 0.000 1.117 40 E HN 0.704 nan 8.360 nan 0.000 0.410 41 I N 5.221 125.622 120.570 -0.282 0.000 2.307 41 I HA 0.140 4.314 4.170 0.007 0.000 0.287 41 I C 0.264 176.215 176.117 -0.277 0.000 1.054 41 I CA -0.302 60.876 61.300 -0.203 0.000 1.218 41 I CB 0.604 38.469 38.000 -0.225 0.000 1.398 41 I HN 0.586 nan 8.210 nan 0.000 0.475 42 Q N 4.223 123.898 119.800 -0.210 0.000 2.221 42 Q HA 0.332 4.676 4.340 0.007 0.000 0.242 42 Q C 0.321 176.226 176.000 -0.157 0.000 0.940 42 Q CA -0.695 54.977 55.803 -0.219 0.000 0.896 42 Q CB 0.896 29.532 28.738 -0.171 0.000 1.226 42 Q HN 0.495 nan 8.270 nan 0.000 0.463 43 N N -0.436 118.183 118.700 -0.136 0.000 2.780 43 N HA -0.168 4.576 4.740 0.007 0.000 0.247 43 N C -1.527 173.931 175.510 -0.087 0.000 1.076 43 N CA 0.587 53.581 53.050 -0.094 0.000 0.688 43 N CB -0.959 37.476 38.487 -0.086 0.000 0.957 43 N HN 0.472 nan 8.380 nan 0.000 0.551 44 V N 0.760 120.614 119.914 -0.099 0.000 2.370 44 V HA 0.759 4.883 4.120 0.007 0.000 0.279 44 V C -1.912 174.152 176.094 -0.050 0.000 1.029 44 V CA -1.546 60.703 62.300 -0.084 0.000 0.870 44 V CB 1.383 33.140 31.823 -0.110 0.000 0.984 44 V HN 0.195 nan 8.190 nan 0.000 0.451 45 P HA 0.192 nan 4.420 nan 0.000 0.270 45 P C -1.079 176.221 177.300 -0.000 0.000 1.223 45 P CA -0.198 62.898 63.100 -0.007 0.000 0.785 45 P CB 0.595 32.295 31.700 0.000 0.000 0.923 46 K N 2.095 122.505 120.400 0.017 0.000 2.231 46 K HA 0.419 4.743 4.320 0.007 0.000 0.255 46 K C -0.242 176.378 176.600 0.033 0.000 1.108 46 K CA -0.175 56.126 56.287 0.023 0.000 0.997 46 K CB -0.111 32.407 32.500 0.030 0.000 1.549 46 K HN 0.393 nan 8.250 nan 0.000 0.419 47 L N 1.184 122.423 121.223 0.027 0.000 2.333 47 L HA 0.356 4.700 4.340 0.007 0.000 0.263 47 L C 1.435 178.323 176.870 0.030 0.000 1.014 47 L CA -0.965 53.897 54.840 0.036 0.000 0.820 47 L CB 1.620 43.699 42.059 0.034 0.000 1.352 47 L HN 0.336 nan 8.230 nan 0.000 0.421 48 K N 0.541 120.962 120.400 0.034 0.000 2.034 48 K HA -0.236 4.088 4.320 0.007 0.000 0.214 48 K C 1.130 177.745 176.600 0.026 0.000 1.051 48 K CA 2.425 58.729 56.287 0.027 0.000 0.931 48 K CB 0.065 32.583 32.500 0.031 0.000 0.715 48 K HN 0.663 nan 8.250 nan 0.000 0.446 49 D N 0.449 120.870 120.400 0.035 0.000 2.182 49 D HA -0.153 4.491 4.640 0.007 0.000 0.201 49 D C 1.873 178.197 176.300 0.040 0.000 0.986 49 D CA 0.876 54.905 54.000 0.048 0.000 0.847 49 D CB -0.082 40.759 40.800 0.069 0.000 0.942 49 D HN 0.249 nan 8.370 nan 0.000 0.467 50 I N 1.386 121.968 120.570 0.020 0.000 2.226 50 I HA -0.192 3.982 4.170 0.007 0.000 0.245 50 I C 1.733 177.838 176.117 -0.020 0.000 1.100 50 I CA 1.171 62.465 61.300 -0.009 0.000 1.374 50 I CB -0.866 37.126 38.000 -0.013 0.000 1.057 50 I HN -0.070 nan 8.210 nan 0.000 0.413 51 D N 0.643 121.041 120.400 -0.003 0.000 2.084 51 D HA -0.127 4.517 4.640 0.007 0.000 0.194 51 D C 2.213 178.510 176.300 -0.005 0.000 0.990 51 D CA 1.684 55.682 54.000 -0.003 0.000 0.826 51 D CB -0.355 40.448 40.800 0.005 0.000 0.971 51 D HN 0.232 nan 8.370 nan 0.000 0.453 52 T N 0.190 114.747 114.554 0.006 0.000 2.720 52 T HA -0.121 4.233 4.350 0.007 0.000 0.268 52 T C 1.992 176.702 174.700 0.016 0.000 1.037 52 T CA 1.749 63.858 62.100 0.014 0.000 1.144 52 T CB -0.530 68.354 68.868 0.026 0.000 0.864 52 T HN 0.151 nan 8.240 nan 0.000 0.444 53 T N 2.084 116.634 114.554 -0.006 0.000 2.777 53 T HA 0.044 4.398 4.350 0.007 0.000 0.266 53 T C 2.076 176.686 174.700 -0.150 0.000 1.040 53 T CA 1.017 63.050 62.100 -0.113 0.000 1.141 53 T CB -0.321 68.389 68.868 -0.263 0.000 0.868 53 T HN 0.311 nan 8.240 nan 0.000 0.444 54 M N 0.591 120.133 119.600 -0.098 0.000 2.086 54 M HA -0.076 4.408 4.480 0.007 0.000 0.261 54 M C 2.537 178.813 176.300 -0.040 0.000 1.067 54 M CA 1.358 56.617 55.300 -0.069 0.000 1.116 54 M CB -0.285 32.295 32.600 -0.033 0.000 1.348 54 M HN -0.017 nan 8.290 nan 0.000 0.407 55 K N 1.007 121.393 120.400 -0.024 0.000 2.032 55 K HA -0.163 4.161 4.320 0.007 0.000 0.209 55 K C 1.900 178.495 176.600 -0.007 0.000 1.048 55 K CA 1.531 57.811 56.287 -0.012 0.000 0.927 55 K CB -0.731 31.765 32.500 -0.008 0.000 0.712 55 K HN 0.346 nan 8.250 nan 0.000 0.441 56 L N 0.920 122.147 121.223 0.007 0.000 2.017 56 L HA -0.167 4.177 4.340 0.007 0.000 0.208 56 L C 2.343 179.231 176.870 0.029 0.000 1.073 56 L CA 1.061 55.926 54.840 0.042 0.000 0.745 56 L CB -0.163 41.971 42.059 0.125 0.000 0.894 56 L HN 0.139 nan 8.230 nan 0.000 0.432 57 L N -1.135 120.080 121.223 -0.012 0.000 2.083 57 L HA -0.204 4.140 4.340 0.007 0.000 0.209 57 L C 2.488 179.347 176.870 -0.019 0.000 1.083 57 L CA 1.598 56.427 54.840 -0.018 0.000 0.752 57 L CB -0.980 41.040 42.059 -0.065 0.000 0.899 57 L HN 0.259 nan 8.230 nan 0.000 0.433 58 T N -1.110 113.431 114.554 -0.022 0.000 2.708 58 T HA -0.197 4.157 4.350 0.007 0.000 0.266 58 T C 1.915 176.591 174.700 -0.039 0.000 1.037 58 T CA 1.078 63.163 62.100 -0.025 0.000 1.146 58 T CB -0.132 68.724 68.868 -0.018 0.000 0.865 58 T HN 0.291 nan 8.240 nan 0.000 0.435 59 Q N 0.506 120.285 119.800 -0.036 0.000 2.308 59 Q HA -0.036 4.308 4.340 0.007 0.000 0.209 59 Q C 2.108 178.054 176.000 -0.090 0.000 0.985 59 Q CA 0.962 56.735 55.803 -0.051 0.000 0.881 59 Q CB -0.375 28.343 28.738 -0.033 0.000 0.917 59 Q HN 0.541 nan 8.270 nan 0.000 0.443 60 L N -1.506 119.660 121.223 -0.096 0.000 2.558 60 L HA 0.105 4.449 4.340 0.007 0.000 0.225 60 L C 1.282 178.015 176.870 -0.230 0.000 1.128 60 L CA 0.603 55.334 54.840 -0.182 0.000 0.868 60 L CB 0.029 42.013 42.059 -0.126 0.000 1.006 60 L HN 0.309 nan 8.230 nan 0.000 0.454 61 G N -0.397 108.318 108.800 -0.142 0.000 2.184 61 G HA2 -0.210 3.754 3.960 0.007 0.000 0.206 61 G HA3 -0.210 3.754 3.960 0.007 0.000 0.206 61 G C 0.258 175.118 174.900 -0.066 0.000 0.995 61 G CA -0.058 44.966 45.100 -0.126 0.000 0.651 61 G HN 0.229 nan 8.290 nan 0.000 0.511 62 T N 1.779 116.308 114.554 -0.041 0.000 2.907 62 T HA 0.485 4.839 4.350 0.007 0.000 0.298 62 T C 0.192 174.897 174.700 0.008 0.000 1.017 62 T CA 0.053 62.155 62.100 0.004 0.000 1.118 62 T CB 1.971 70.850 68.868 0.018 0.000 0.948 62 T HN 0.332 nan 8.240 nan 0.000 0.531 63 K N 2.906 123.323 120.400 0.029 0.000 2.240 63 K HA 0.485 4.809 4.320 0.007 0.000 0.271 63 K C -1.052 175.580 176.600 0.054 0.000 1.018 63 K CA -0.617 55.688 56.287 0.030 0.000 0.874 63 K CB 1.037 33.553 32.500 0.028 0.000 1.098 63 K HN 0.502 nan 8.250 nan 0.000 0.458 64 V N 2.826 122.769 119.914 0.048 0.000 2.709 64 V HA 0.607 4.731 4.120 0.007 0.000 0.308 64 V C -1.511 174.637 176.094 0.089 0.000 1.062 64 V CA -0.444 61.903 62.300 0.078 0.000 0.901 64 V CB 1.805 33.654 31.823 0.045 0.000 1.003 64 V HN 0.914 nan 8.190 nan 0.000 0.425 65 E N 5.255 125.556 120.200 0.169 0.000 2.343 65 E HA 0.692 5.046 4.350 0.007 0.000 0.270 65 E C -0.917 175.893 176.600 0.349 0.000 0.895 65 E CA -0.983 55.520 56.400 0.172 0.000 0.767 65 E CB 2.956 32.698 29.700 0.069 0.000 1.248 65 E HN 0.723 nan 8.360 nan 0.000 0.440 66 R N 0.654 121.328 120.500 0.289 0.000 3.045 66 R HA 0.514 4.858 4.340 0.007 0.000 0.245 66 R C -0.516 176.012 176.300 0.380 0.000 1.333 66 R CA -0.429 55.859 56.100 0.314 0.000 1.036 66 R CB 1.356 31.736 30.300 0.134 0.000 1.340 66 R HN 0.721 nan 8.270 nan 0.000 0.488 67 N N -2.356 116.498 118.700 0.256 0.000 2.474 67 N HA -0.126 4.618 4.740 0.007 0.000 0.274 67 N C 0.654 176.215 175.510 0.086 0.000 1.577 67 N CA 0.833 53.988 53.050 0.175 0.000 3.018 67 N CB -1.418 37.180 38.487 0.185 0.000 1.588 67 N HN 0.573 nan 8.380 nan 0.000 1.063 68 G N -0.180 108.666 108.800 0.076 0.000 2.421 68 G HA2 0.119 4.083 3.960 0.007 0.000 0.217 68 G HA3 0.119 4.083 3.960 0.007 0.000 0.217 68 G C 0.220 175.039 174.900 -0.135 0.000 1.143 68 G CA 1.456 46.546 45.100 -0.017 0.000 0.784 68 G HN 0.387 nan 8.290 nan 0.000 0.541 69 S N -1.548 113.964 115.700 -0.314 0.000 2.704 69 S HA 0.658 5.132 4.470 0.007 0.000 0.305 69 S C -0.897 173.325 174.600 -0.630 0.000 1.107 69 S CA -0.587 57.238 58.200 -0.625 0.000 0.993 69 S CB 2.481 64.978 63.200 -1.172 0.000 1.110 69 S HN -0.025 nan 8.310 nan 0.000 0.534 70 V N 1.700 121.267 119.914 -0.580 0.000 2.483 70 V HA 0.382 4.506 4.120 0.007 0.000 0.297 70 V C -1.178 174.722 176.094 -0.323 0.000 1.027 70 V CA -0.559 61.586 62.300 -0.259 0.000 0.855 70 V CB 1.226 32.964 31.823 -0.142 0.000 0.995 70 V HN 0.780 nan 8.190 nan 0.000 0.424 71 W N 5.798 127.097 121.300 -0.002 0.000 2.429 71 W HA 0.690 5.353 4.660 0.006 0.000 0.314 71 W C -0.680 175.845 176.519 0.010 0.000 1.062 71 W CA -0.568 56.785 57.345 0.012 0.000 1.211 71 W CB 1.896 31.363 29.460 0.012 0.000 1.305 71 W HN 0.394 nan 8.180 nan 0.000 0.476 72 I N 2.775 123.467 120.570 0.202 0.000 2.545 72 I HA 0.176 4.350 4.170 0.007 0.000 0.292 72 I C -0.496 175.704 176.117 0.138 0.000 1.040 72 I CA -0.363 61.019 61.300 0.137 0.000 1.068 72 I CB 2.339 40.389 38.000 0.083 0.000 1.251 72 I HN 0.132 nan 8.210 nan 0.000 0.424 73 D N 4.979 125.446 120.400 0.111 0.000 2.440 73 D HA 0.469 5.113 4.640 0.007 0.000 0.252 73 D C -0.193 176.163 176.300 0.094 0.000 1.180 73 D CA -0.322 53.738 54.000 0.100 0.000 0.894 73 D CB 1.979 42.828 40.800 0.082 0.000 1.111 73 D HN 0.600 nan 8.370 nan 0.000 0.544 74 A N 2.599 125.488 122.820 0.116 0.000 2.460 74 A HA 0.118 4.442 4.320 0.007 0.000 0.258 74 A C 1.737 179.428 177.584 0.178 0.000 1.300 74 A CA 0.348 52.474 52.037 0.148 0.000 0.913 74 A CB -0.197 18.920 19.000 0.195 0.000 1.031 74 A HN 0.474 nan 8.150 nan 0.000 0.512 75 S N 0.406 116.184 115.700 0.130 0.000 2.419 75 S HA -0.168 4.306 4.470 0.007 0.000 0.233 75 S C 0.796 175.474 174.600 0.130 0.000 1.016 75 S CA 1.509 59.786 58.200 0.127 0.000 0.974 75 S CB -0.586 62.666 63.200 0.086 0.000 0.786 75 S HN 0.672 nan 8.310 nan 0.000 0.492 76 N N 0.910 119.664 118.700 0.089 0.000 2.328 76 N HA 0.338 5.082 4.740 0.007 0.000 0.247 76 N C -1.093 174.408 175.510 -0.015 0.000 1.165 76 N CA -0.256 52.823 53.050 0.048 0.000 0.873 76 N CB 1.131 39.630 38.487 0.019 0.000 1.125 76 N HN 0.109 nan 8.380 nan 0.000 0.513 77 V N 2.387 122.281 119.914 -0.033 0.000 2.617 77 V HA -0.043 4.081 4.120 0.007 0.000 0.304 77 V C 0.820 176.687 176.094 -0.377 0.000 1.040 77 V CA 0.489 62.629 62.300 -0.267 0.000 1.149 77 V CB 0.369 31.944 31.823 -0.415 0.000 0.914 77 V HN 0.629 nan 8.190 nan 0.000 0.487 78 N N 1.854 120.235 118.700 -0.533 0.000 2.082 78 N HA 0.096 4.840 4.740 0.007 0.000 0.228 78 N C -0.250 174.702 175.510 -0.931 0.000 1.341 78 N CA -0.329 52.404 53.050 -0.527 0.000 0.873 78 N CB 0.174 38.516 38.487 -0.240 0.000 1.137 78 N HN 0.556 nan 8.380 nan 0.000 0.505 79 N N 0.068 118.076 118.700 -1.153 0.000 2.258 79 N HA 0.401 5.145 4.740 0.007 0.000 0.299 79 N C -1.660 173.168 175.510 -1.137 0.000 1.047 79 N CA -0.658 51.840 53.050 -0.920 0.000 0.814 79 N CB 0.883 39.119 38.487 -0.418 0.000 1.413 79 N HN 0.013 nan 8.380 nan 0.000 0.478 80 F N 0.187 120.084 119.950 -0.088 0.000 2.805 80 F HA 0.425 4.956 4.527 0.007 0.000 0.317 80 F C 0.054 175.848 175.800 -0.010 0.000 1.146 80 F CA -0.414 57.552 58.000 -0.056 0.000 1.265 80 F CB 0.307 39.283 39.000 -0.040 0.000 0.992 80 F HN 0.140 nan 8.300 nan 0.000 0.511 81 S N 0.910 116.636 115.700 0.043 0.000 2.532 81 S HA 0.795 5.269 4.470 0.007 0.000 0.299 81 S C -0.268 174.348 174.600 0.026 0.000 1.105 81 S CA -0.742 57.481 58.200 0.039 0.000 1.018 81 S CB 1.877 65.076 63.200 -0.001 0.000 1.021 81 S HN 0.169 nan 8.310 nan 0.000 0.483 82 A N 4.674 127.525 122.820 0.050 0.000 2.322 82 A HA 0.692 5.016 4.320 0.007 0.000 0.327 82 A C -2.598 175.013 177.584 0.045 0.000 1.394 82 A CA -1.810 50.260 52.037 0.054 0.000 0.921 82 A CB 0.045 19.092 19.000 0.078 0.000 1.153 82 A HN 0.491 nan 8.150 nan 0.000 0.523 83 P HA 0.020 nan 4.420 nan 0.000 0.274 83 P C 0.399 177.746 177.300 0.078 0.000 1.231 83 P CA -0.134 62.999 63.100 0.056 0.000 0.790 83 P CB 0.697 32.419 31.700 0.036 0.000 0.951 84 Y N 2.309 122.607 120.300 -0.005 0.000 2.102 84 Y HA -0.317 4.238 4.550 0.007 0.000 0.280 84 Y C 1.967 177.865 175.900 -0.003 0.000 1.178 84 Y CA 2.292 60.391 58.100 -0.002 0.000 1.146 84 Y CB -0.792 37.667 38.460 -0.001 0.000 0.968 84 Y HN 0.363 nan 8.280 nan 0.000 0.504 85 D N -0.018 120.377 120.400 -0.008 0.000 2.133 85 D HA -0.226 4.418 4.640 0.007 0.000 0.195 85 D C 2.090 178.318 176.300 -0.119 0.000 0.997 85 D CA 2.240 56.199 54.000 -0.067 0.000 0.840 85 D CB -0.264 40.543 40.800 0.012 0.000 0.947 85 D HN 0.443 nan 8.370 nan 0.000 0.452 86 L N 0.545 121.722 121.223 -0.076 0.000 2.168 86 L HA -0.033 4.311 4.340 0.007 0.000 0.203 86 L C 2.696 179.519 176.870 -0.078 0.000 1.078 86 L CA 0.387 55.194 54.840 -0.055 0.000 0.780 86 L CB -0.661 41.394 42.059 -0.007 0.000 0.939 86 L HN -0.069 nan 8.230 nan 0.000 0.451 87 V N -0.673 119.181 119.914 -0.099 0.000 2.871 87 V HA -0.130 3.994 4.120 0.007 0.000 0.256 87 V C 2.423 178.396 176.094 -0.202 0.000 1.082 87 V CA 1.235 63.470 62.300 -0.108 0.000 1.105 87 V CB -0.811 30.974 31.823 -0.063 0.000 0.713 87 V HN 0.599 nan 8.190 nan 0.000 0.473 88 K N 0.363 120.527 120.400 -0.394 0.000 2.360 88 K HA -0.113 4.211 4.320 0.007 0.000 0.201 88 K C 1.752 178.209 176.600 -0.238 0.000 1.046 88 K CA 1.831 57.838 56.287 -0.468 0.000 0.945 88 K CB -0.850 31.100 32.500 -0.916 0.000 0.750 88 K HN 0.484 nan 8.250 nan 0.000 0.464 89 T N 0.577 115.026 114.554 -0.176 0.000 3.043 89 T HA 0.096 4.450 4.350 0.007 0.000 0.263 89 T C 0.415 175.075 174.700 -0.065 0.000 1.094 89 T CA 0.658 62.697 62.100 -0.101 0.000 1.127 89 T CB -0.002 68.815 68.868 -0.085 0.000 0.905 89 T HN 0.253 nan 8.240 nan 0.000 0.490 90 M N 0.829 120.385 119.600 -0.074 0.000 2.255 90 M HA 0.354 4.838 4.480 0.007 0.000 0.275 90 M C 0.412 176.645 176.300 -0.111 0.000 1.050 90 M CA -0.824 54.438 55.300 -0.062 0.000 0.978 90 M CB 1.531 34.126 32.600 -0.009 0.000 1.761 90 M HN -0.294 nan 8.290 nan 0.000 0.479 91 R N 3.195 123.609 120.500 -0.144 0.000 2.096 91 R HA 0.046 4.390 4.340 0.007 0.000 0.235 91 R C 1.223 177.306 176.300 -0.362 0.000 1.127 91 R CA 2.300 58.268 56.100 -0.219 0.000 0.968 91 R CB -0.735 29.447 30.300 -0.196 0.000 0.861 91 R HN 0.842 nan 8.270 nan 0.000 0.440 92 A N 0.568 123.160 122.820 -0.379 0.000 2.178 92 A HA -0.112 4.212 4.320 0.007 0.000 0.218 92 A C 2.093 179.346 177.584 -0.551 0.000 1.157 92 A CA 1.524 53.207 52.037 -0.591 0.000 0.689 92 A CB -0.634 18.248 19.000 -0.197 0.000 0.787 92 A HN 0.617 nan 8.150 nan 0.000 0.465 93 S N -0.180 115.317 115.700 -0.338 0.000 2.469 93 S HA -0.147 4.327 4.470 0.007 0.000 0.238 93 S C 1.687 176.020 174.600 -0.445 0.000 0.998 93 S CA 1.112 59.120 58.200 -0.320 0.000 0.957 93 S CB -0.574 62.595 63.200 -0.052 0.000 0.764 93 S HN 0.463 nan 8.310 nan 0.000 0.514 94 I N 1.123 121.407 120.570 -0.476 0.000 2.423 94 I HA -0.045 4.129 4.170 0.007 0.000 0.254 94 I C 1.693 177.615 176.117 -0.325 0.000 1.151 94 I CA 0.731 61.773 61.300 -0.429 0.000 1.421 94 I CB -0.685 36.931 38.000 -0.641 0.000 1.079 94 I HN 0.350 nan 8.210 nan 0.000 0.431 95 W N 0.707 121.690 121.300 -0.529 0.000 2.538 95 W HA -0.043 4.620 4.660 0.006 0.000 0.254 95 W C 2.429 178.693 176.519 -0.425 0.000 1.249 95 W CA 0.936 57.982 57.345 -0.497 0.000 1.253 95 W CB -1.301 27.804 29.460 -0.592 0.000 1.130 95 W HN 0.322 nan 8.180 nan 0.000 0.618 96 A N -0.467 122.202 122.820 -0.253 0.000 1.970 96 A HA -0.077 4.247 4.320 0.007 0.000 0.216 96 A C 1.972 179.646 177.584 0.149 0.000 1.170 96 A CA 0.892 53.007 52.037 0.130 0.000 0.645 96 A CB -0.680 18.433 19.000 0.188 0.000 0.816 96 A HN 0.129 nan 8.150 nan 0.000 0.447 97 L N 0.262 121.534 121.223 0.080 0.000 1.971 97 L HA -0.140 4.204 4.340 0.007 0.000 0.215 97 L C 2.494 179.440 176.870 0.125 0.000 1.072 97 L CA 2.501 57.399 54.840 0.097 0.000 0.758 97 L CB -1.059 41.026 42.059 0.043 0.000 0.889 97 L HN 0.331 nan 8.230 nan 0.000 0.433 98 G N -1.056 107.824 108.800 0.135 0.000 2.433 98 G HA2 -0.202 3.762 3.960 0.007 0.000 0.216 98 G HA3 -0.202 3.762 3.960 0.007 0.000 0.216 98 G C -0.666 174.302 174.900 0.114 0.000 1.186 98 G CA 0.938 46.109 45.100 0.119 0.000 0.779 98 G HN 0.392 nan 8.290 nan 0.000 0.543 99 P HA -0.026 nan 4.420 nan 0.000 0.216 99 P C 2.057 179.471 177.300 0.191 0.000 1.150 99 P CA 0.665 63.851 63.100 0.143 0.000 0.837 99 P CB -0.073 31.746 31.700 0.198 0.000 0.786 100 L N -1.103 120.292 121.223 0.286 0.000 1.994 100 L HA -0.137 4.207 4.340 0.007 0.000 0.208 100 L C 2.487 179.512 176.870 0.258 0.000 1.071 100 L CA 1.377 56.476 54.840 0.431 0.000 0.745 100 L CB -1.234 41.057 42.059 0.386 0.000 0.892 100 L HN -0.100 nan 8.230 nan 0.000 0.431 101 V N -0.121 119.876 119.914 0.139 0.000 2.427 101 V HA -0.228 3.896 4.120 0.007 0.000 0.248 101 V C 2.593 178.695 176.094 0.014 0.000 1.051 101 V CA 1.800 64.138 62.300 0.063 0.000 1.048 101 V CB -0.056 31.800 31.823 0.055 0.000 0.666 101 V HN 0.428 nan 8.190 nan 0.000 0.456 102 A N -0.176 122.647 122.820 0.005 0.000 1.902 102 A HA -0.213 4.111 4.320 0.007 0.000 0.217 102 A C 2.384 179.890 177.584 -0.130 0.000 1.181 102 A CA 2.093 54.104 52.037 -0.044 0.000 0.623 102 A CB -0.511 18.469 19.000 -0.033 0.000 0.818 102 A HN 0.592 nan 8.150 nan 0.000 0.443 103 R N -2.171 118.193 120.500 -0.226 0.000 2.087 103 R HA 0.122 4.466 4.340 0.007 0.000 0.216 103 R C 0.991 176.919 176.300 -0.621 0.000 1.114 103 R CA 1.034 56.814 56.100 -0.534 0.000 1.002 103 R CB -0.101 29.628 30.300 -0.952 0.000 0.903 103 R HN 0.437 nan 8.270 nan 0.000 0.445 104 F N -0.427 119.479 119.950 -0.072 0.000 2.727 104 F HA 0.398 4.929 4.527 0.006 0.000 0.302 104 F C 1.449 177.088 175.800 -0.269 0.000 1.097 104 F CA 0.449 58.320 58.000 -0.214 0.000 1.330 104 F CB 0.968 39.728 39.000 -0.399 0.000 1.084 104 F HN 0.346 nan 8.300 nan 0.000 0.578 105 G N 0.736 109.507 108.800 -0.049 0.000 2.205 105 G HA2 -0.265 3.699 3.960 0.007 0.000 0.261 105 G HA3 -0.265 3.699 3.960 0.007 0.000 0.261 105 G C 0.110 174.972 174.900 -0.062 0.000 0.980 105 G CA 0.442 45.508 45.100 -0.057 0.000 0.632 105 G HN 0.521 nan 8.290 nan 0.000 0.533 106 Q N -1.642 118.103 119.800 -0.091 0.000 2.479 106 Q HA 0.635 4.979 4.340 0.007 0.000 0.276 106 Q C -0.521 175.492 176.000 0.022 0.000 0.989 106 Q CA -0.673 55.098 55.803 -0.053 0.000 0.864 106 Q CB 1.636 30.319 28.738 -0.091 0.000 1.444 106 Q HN 1.446 nan 8.270 nan 0.000 0.388 107 G N 0.667 109.524 108.800 0.095 0.000 2.742 107 G HA2 0.530 4.494 3.960 0.007 0.000 0.296 107 G HA3 0.530 4.494 3.960 0.007 0.000 0.296 107 G C -2.140 172.841 174.900 0.136 0.000 1.436 107 G CA -0.533 44.663 45.100 0.159 0.000 0.928 107 G HN 0.604 nan 8.290 nan 0.000 0.520 108 Q N 0.427 120.310 119.800 0.138 0.000 2.284 108 Q HA 0.629 4.973 4.340 0.007 0.000 0.269 108 Q C -1.899 174.164 176.000 0.105 0.000 1.026 108 Q CA -0.648 55.230 55.803 0.124 0.000 0.831 108 Q CB 2.837 31.624 28.738 0.082 0.000 1.322 108 Q HN 0.484 nan 8.270 nan 0.000 0.419 109 V N 2.788 122.771 119.914 0.114 0.000 2.588 109 V HA 0.466 4.590 4.120 0.007 0.000 0.304 109 V C -0.221 175.947 176.094 0.124 0.000 1.042 109 V CA -0.627 61.719 62.300 0.076 0.000 0.877 109 V CB 1.821 33.647 31.823 0.005 0.000 0.996 109 V HN 0.867 nan 8.190 nan 0.000 0.425 110 S N 6.427 122.197 115.700 0.117 0.000 2.584 110 S HA 0.712 5.186 4.470 0.007 0.000 0.273 110 S C -0.728 173.958 174.600 0.143 0.000 1.311 110 S CA -0.409 57.901 58.200 0.183 0.000 1.034 110 S CB 0.595 63.927 63.200 0.219 0.000 0.939 110 S HN 0.544 nan 8.310 nan 0.000 0.513 111 L N 3.090 124.406 121.223 0.155 0.000 2.354 111 L HA 0.565 4.909 4.340 0.007 0.000 0.269 111 L C -2.491 174.475 176.870 0.159 0.000 1.005 111 L CA -2.548 52.347 54.840 0.091 0.000 0.819 111 L CB 2.210 44.276 42.059 0.012 0.000 1.311 111 L HN 0.527 nan 8.230 nan 0.000 0.423 112 P HA 0.237 nan 4.420 nan 0.000 0.284 112 P C -0.117 177.230 177.300 0.079 0.000 1.253 112 P CA -0.258 62.969 63.100 0.212 0.000 0.800 112 P CB 1.026 32.837 31.700 0.185 0.000 0.961 113 G N 0.936 109.765 108.800 0.049 0.000 2.616 113 G HA2 0.588 4.552 3.960 0.007 0.000 0.268 113 G HA3 0.588 4.552 3.960 0.007 0.000 0.268 113 G C -0.384 174.523 174.900 0.012 0.000 1.213 113 G CA -0.509 44.597 45.100 0.009 0.000 0.926 113 G HN 0.716 nan 8.290 nan 0.000 0.523 114 G N -2.771 106.030 108.800 0.000 0.000 2.667 114 G HA2 0.400 4.364 3.960 0.007 0.000 0.294 114 G HA3 0.400 4.364 3.960 0.007 0.000 0.294 114 G C 0.342 175.241 174.900 -0.001 0.000 1.467 114 G CA 0.255 45.357 45.100 0.002 0.000 0.852 114 G HN 1.307 nan 8.290 nan 0.000 0.521 115 C N 0.025 119.326 119.300 0.001 0.000 2.594 115 C HA 0.624 5.088 4.460 0.007 0.000 0.265 115 C C 1.602 176.593 174.990 0.002 0.000 1.351 115 C CA 0.275 59.294 59.018 0.000 0.000 1.744 115 C CB -1.242 26.498 27.740 0.001 0.000 1.890 115 C HN 1.125 nan 8.230 nan 0.000 0.551 116 A N 1.778 124.600 122.820 0.003 0.000 2.363 116 A HA 0.691 5.015 4.320 0.007 0.000 0.270 116 A C -0.233 177.354 177.584 0.005 0.000 1.121 116 A CA -0.316 51.724 52.037 0.006 0.000 0.800 116 A CB -0.089 18.917 19.000 0.009 0.000 1.052 116 A HN 0.825 nan 8.150 nan 0.000 0.493 117 I N -0.995 119.580 120.570 0.009 0.000 2.608 117 I HA 0.913 5.087 4.170 0.007 0.000 0.295 117 I C 0.121 176.251 176.117 0.022 0.000 1.049 117 I CA -0.371 60.936 61.300 0.012 0.000 1.063 117 I CB 2.240 40.246 38.000 0.011 0.000 1.248 117 I HN 1.389 nan 8.210 nan 0.000 0.424 118 G N 3.589 112.409 108.800 0.033 0.000 3.326 118 G HA2 0.486 4.450 3.960 0.007 0.000 0.681 118 G HA3 0.486 4.450 3.960 0.007 0.000 0.681 118 G C 0.022 174.952 174.900 0.049 0.000 1.255 118 G CA -0.336 44.790 45.100 0.044 0.000 0.976 118 G HN 2.113 nan 8.290 nan 0.000 0.563 119 A N 1.306 124.169 122.820 0.071 0.000 1.949 119 A HA -0.094 4.230 4.320 0.007 0.000 0.255 119 A C 1.184 178.799 177.584 0.053 0.000 1.286 119 A CA 1.904 53.985 52.037 0.074 0.000 0.755 119 A CB -0.616 18.424 19.000 0.067 0.000 1.161 119 A HN 1.123 nan 8.150 nan 0.000 0.308 120 R N 0.716 121.243 120.500 0.045 0.000 2.543 120 R HA 0.386 4.730 4.340 0.007 0.000 0.268 120 R C -1.330 174.985 176.300 0.025 0.000 1.067 120 R CA -1.838 54.274 56.100 0.020 0.000 1.142 120 R CB -0.286 30.011 30.300 -0.005 0.000 1.110 120 R HN 0.278 nan 8.270 nan 0.000 0.549 121 P HA -0.225 nan 4.420 nan 0.000 0.214 121 P C 1.276 178.618 177.300 0.070 0.000 1.164 121 P CA 1.658 64.767 63.100 0.017 0.000 0.942 121 P CB -0.070 31.607 31.700 -0.038 0.000 0.791 122 V N -2.402 117.507 119.914 -0.008 0.000 3.241 122 V HA -0.132 3.992 4.120 0.007 0.000 0.269 122 V C 1.236 177.351 176.094 0.036 0.000 1.151 122 V CA 1.894 64.185 62.300 -0.014 0.000 1.158 122 V CB -1.488 30.201 31.823 -0.224 0.000 0.764 122 V HN 0.000 nan 8.190 nan 0.000 0.508 123 D N 0.826 121.230 120.400 0.006 0.000 2.263 123 D HA -0.090 4.554 4.640 0.007 0.000 0.208 123 D C 1.998 178.329 176.300 0.052 0.000 0.971 123 D CA 1.302 55.253 54.000 -0.082 0.000 0.867 123 D CB -0.072 40.729 40.800 0.002 0.000 0.929 123 D HN 0.496 nan 8.370 nan 0.000 0.492 124 L N -0.067 121.241 121.223 0.143 0.000 2.179 124 L HA -0.109 4.235 4.340 0.007 0.000 0.208 124 L C 2.127 179.045 176.870 0.080 0.000 1.096 124 L CA 0.822 55.738 54.840 0.128 0.000 0.779 124 L CB -0.169 41.918 42.059 0.046 0.000 0.922 124 L HN 0.046 nan 8.230 nan 0.000 0.443 125 H N -0.911 118.161 119.070 0.003 0.000 2.326 125 H HA -0.138 4.422 4.556 0.006 0.000 0.301 125 H C 2.030 177.335 175.328 -0.038 0.000 1.081 125 H CA 1.379 57.428 56.048 0.001 0.000 1.334 125 H CB -0.035 29.715 29.762 -0.021 0.000 1.385 125 H HN 0.040 nan 8.280 nan 0.000 0.504 126 I N 0.090 120.654 120.570 -0.010 0.000 2.099 126 I HA -0.241 3.933 4.170 0.007 0.000 0.239 126 I C 1.790 177.826 176.117 -0.134 0.000 1.066 126 I CA 1.342 62.527 61.300 -0.191 0.000 1.324 126 I CB -0.893 36.810 38.000 -0.494 0.000 1.037 126 I HN 0.127 nan 8.210 nan 0.000 0.401 127 F N 0.577 120.557 119.950 0.051 0.000 2.234 127 F HA -0.012 4.519 4.527 0.007 0.000 0.299 127 F C 2.537 178.358 175.800 0.034 0.000 1.087 127 F CA 1.013 59.034 58.000 0.035 0.000 1.340 127 F CB -1.674 37.342 39.000 0.027 0.000 1.031 127 F HN 0.095 nan 8.300 nan 0.000 0.500 128 G N 0.168 109.079 108.800 0.185 0.000 2.402 128 G HA2 -0.174 3.790 3.960 0.007 0.000 0.216 128 G HA3 -0.174 3.790 3.960 0.007 0.000 0.216 128 G C 1.828 176.785 174.900 0.096 0.000 1.162 128 G CA 0.602 45.771 45.100 0.116 0.000 0.777 128 G HN 0.312 nan 8.290 nan 0.000 0.539 129 L N 0.112 121.388 121.223 0.090 0.000 2.046 129 L HA -0.074 4.270 4.340 0.007 0.000 0.208 129 L C 2.781 179.695 176.870 0.074 0.000 1.077 129 L CA 1.542 56.425 54.840 0.072 0.000 0.747 129 L CB -0.389 41.709 42.059 0.065 0.000 0.896 129 L HN 0.359 nan 8.230 nan 0.000 0.432 130 E N 0.370 120.629 120.200 0.099 0.000 2.077 130 E HA -0.233 4.121 4.350 0.007 0.000 0.193 130 E C 2.033 178.692 176.600 0.097 0.000 0.989 130 E CA 1.038 57.505 56.400 0.111 0.000 0.800 130 E CB 0.208 30.015 29.700 0.179 0.000 0.746 130 E HN 0.278 nan 8.360 nan 0.000 0.452 131 K N 0.253 120.714 120.400 0.102 0.000 2.283 131 K HA -0.081 4.243 4.320 0.007 0.000 0.202 131 K C 1.927 178.561 176.600 0.055 0.000 1.048 131 K CA 0.564 56.895 56.287 0.074 0.000 0.948 131 K CB -0.059 32.484 32.500 0.072 0.000 0.742 131 K HN 0.318 nan 8.250 nan 0.000 0.458 132 L N -0.071 121.183 121.223 0.052 0.000 2.627 132 L HA 0.043 4.387 4.340 0.007 0.000 0.233 132 L C 1.063 177.951 176.870 0.030 0.000 1.144 132 L CA 0.411 55.273 54.840 0.036 0.000 0.892 132 L CB -0.161 41.917 42.059 0.032 0.000 1.039 132 L HN 0.366 nan 8.230 nan 0.000 0.442 133 G N -0.426 108.396 108.800 0.036 0.000 2.176 133 G HA2 -0.231 3.733 3.960 0.007 0.000 0.232 133 G HA3 -0.231 3.733 3.960 0.007 0.000 0.232 133 G C 0.369 175.288 174.900 0.031 0.000 0.986 133 G CA -0.082 45.036 45.100 0.030 0.000 0.643 133 G HN 0.462 nan 8.290 nan 0.000 0.522 134 A N 0.044 122.886 122.820 0.038 0.000 2.351 134 A HA 0.653 4.977 4.320 0.007 0.000 0.257 134 A C 0.426 178.035 177.584 0.041 0.000 1.087 134 A CA 0.571 52.630 52.037 0.036 0.000 0.798 134 A CB 0.550 19.573 19.000 0.039 0.000 1.033 134 A HN 0.710 nan 8.150 nan 0.000 0.488 135 E N 1.430 121.651 120.200 0.035 0.000 2.227 135 E HA 0.434 4.788 4.350 0.007 0.000 0.282 135 E C -1.083 175.539 176.600 0.036 0.000 1.015 135 E CA -0.553 55.870 56.400 0.037 0.000 0.823 135 E CB 0.545 30.264 29.700 0.032 0.000 1.081 135 E HN 0.453 nan 8.360 nan 0.000 0.396 136 I N 4.212 124.802 120.570 0.033 0.000 2.404 136 I HA 0.343 4.517 4.170 0.007 0.000 0.293 136 I C -0.050 176.071 176.117 0.007 0.000 0.992 136 I CA -0.673 60.635 61.300 0.013 0.000 1.149 136 I CB 1.375 39.369 38.000 -0.009 0.000 1.315 136 I HN 0.516 nan 8.210 nan 0.000 0.446 137 K N 6.985 127.387 120.400 0.005 0.000 2.376 137 K HA 0.709 5.033 4.320 0.007 0.000 0.257 137 K C -1.281 175.251 176.600 -0.113 0.000 0.939 137 K CA -0.675 55.608 56.287 -0.006 0.000 0.809 137 K CB 2.705 35.245 32.500 0.067 0.000 1.121 137 K HN 0.451 nan 8.250 nan 0.000 0.425 138 L N 2.608 123.722 121.223 -0.182 0.000 2.386 138 L HA 0.491 4.835 4.340 0.007 0.000 0.271 138 L C -0.407 176.255 176.870 -0.348 0.000 0.993 138 L CA -0.725 53.913 54.840 -0.335 0.000 0.819 138 L CB 2.108 44.038 42.059 -0.214 0.000 1.294 138 L HN 0.495 nan 8.230 nan 0.000 0.414 139 E N 1.930 121.774 120.200 -0.593 0.000 2.314 139 E HA 0.196 4.550 4.350 0.007 0.000 0.272 139 E C -0.288 176.113 176.600 -0.332 0.000 0.884 139 E CA -0.781 55.393 56.400 -0.376 0.000 0.753 139 E CB 2.690 32.257 29.700 -0.222 0.000 1.213 139 E HN 0.464 nan 8.360 nan 0.000 0.432 140 E N 1.888 121.998 120.200 -0.150 0.000 2.132 140 E HA -0.239 4.115 4.350 0.007 0.000 0.218 140 E C 1.769 178.321 176.600 -0.081 0.000 1.058 140 E CA 2.160 58.499 56.400 -0.100 0.000 0.882 140 E CB -0.448 29.221 29.700 -0.051 0.000 0.774 140 E HN 0.861 nan 8.360 nan 0.000 0.467 141 G N -0.695 108.103 108.800 -0.003 0.000 2.625 141 G HA2 -0.059 3.905 3.960 0.007 0.000 0.214 141 G HA3 -0.059 3.905 3.960 0.007 0.000 0.214 141 G C 0.453 175.471 174.900 0.196 0.000 1.132 141 G CA 1.402 46.554 45.100 0.088 0.000 0.782 141 G HN 0.370 nan 8.290 nan 0.000 0.538 142 Y N -3.903 116.385 120.300 -0.019 0.000 2.818 142 Y HA 0.648 5.202 4.550 0.006 0.000 0.341 142 Y C -1.749 174.135 175.900 -0.026 0.000 1.283 142 Y CA -1.857 56.235 58.100 -0.014 0.000 1.075 142 Y CB 1.130 39.590 38.460 0.000 0.000 1.370 142 Y HN 0.170 nan 8.280 nan 0.000 0.448 143 V N 1.992 121.948 119.914 0.069 0.000 2.588 143 V HA 0.635 4.759 4.120 0.007 0.000 0.304 143 V C -1.415 174.796 176.094 0.195 0.000 1.042 143 V CA -0.777 61.515 62.300 -0.013 0.000 0.877 143 V CB 1.662 33.440 31.823 -0.074 0.000 0.996 143 V HN 0.895 nan 8.190 nan 0.000 0.425 144 K N 5.274 125.778 120.400 0.173 0.000 2.376 144 K HA 0.857 5.181 4.320 0.007 0.000 0.257 144 K C -0.915 175.741 176.600 0.093 0.000 0.939 144 K CA -0.388 56.008 56.287 0.182 0.000 0.809 144 K CB 1.879 34.532 32.500 0.255 0.000 1.121 144 K HN 0.915 nan 8.250 nan 0.000 0.425 145 A N 2.215 125.081 122.820 0.076 0.000 2.350 145 A HA 0.743 5.067 4.320 0.007 0.000 0.324 145 A C -1.042 176.572 177.584 0.049 0.000 1.118 145 A CA -0.584 51.484 52.037 0.053 0.000 0.783 145 A CB 1.349 20.379 19.000 0.050 0.000 1.236 145 A HN 0.807 nan 8.150 nan 0.000 0.457 146 S N -0.253 115.469 115.700 0.036 0.000 2.596 146 S HA 0.815 5.289 4.470 0.007 0.000 0.270 146 S C -1.229 173.380 174.600 0.015 0.000 1.155 146 S CA -0.524 57.688 58.200 0.021 0.000 0.827 146 S CB 1.295 64.507 63.200 0.020 0.000 1.130 146 S HN 2.065 nan 8.310 nan 0.000 0.467 147 V N 0.578 120.493 119.914 0.002 0.000 3.120 147 V HA 0.552 4.676 4.120 0.007 0.000 0.303 147 V C -1.960 174.130 176.094 -0.006 0.000 1.238 147 V CA -0.866 61.435 62.300 0.002 0.000 1.008 147 V CB 2.259 34.083 31.823 0.002 0.000 1.064 147 V HN 1.068 nan 8.190 nan 0.000 0.434 148 N N 3.910 122.609 118.700 -0.003 0.000 2.422 148 N HA 0.693 5.437 4.740 0.007 0.000 0.266 148 N C 0.234 175.740 175.510 -0.007 0.000 1.007 148 N CA 0.439 53.486 53.050 -0.005 0.000 0.941 148 N CB 1.568 40.055 38.487 0.000 0.000 1.115 148 N HN 1.361 nan 8.380 nan 0.000 0.492 149 G N 1.462 110.255 108.800 -0.012 0.000 2.527 149 G HA2 -0.269 3.695 3.960 0.007 0.000 0.227 149 G HA3 -0.269 3.695 3.960 0.007 0.000 0.227 149 G C -0.511 174.376 174.900 -0.021 0.000 1.291 149 G CA -0.674 44.417 45.100 -0.014 0.000 0.904 149 G HN 0.565 nan 8.290 nan 0.000 0.577 150 R N -0.755 119.733 120.500 -0.020 0.000 2.532 150 R HA 0.675 5.019 4.340 0.007 0.000 0.272 150 R C 0.892 177.183 176.300 -0.015 0.000 1.032 150 R CA -0.682 55.403 56.100 -0.024 0.000 1.089 150 R CB 0.638 30.923 30.300 -0.025 0.000 1.098 150 R HN 0.483 nan 8.270 nan 0.000 0.526 151 L N 2.221 123.435 121.223 -0.016 0.000 2.476 151 L HA 0.229 4.573 4.340 0.007 0.000 0.255 151 L C 0.024 176.892 176.870 -0.003 0.000 1.218 151 L CA -0.035 54.803 54.840 -0.004 0.000 0.819 151 L CB 0.325 42.383 42.059 -0.003 0.000 1.119 151 L HN 0.519 nan 8.230 nan 0.000 0.485 152 K N 0.843 121.246 120.400 0.004 0.000 2.427 152 K HA 0.443 4.767 4.320 0.007 0.000 0.252 152 K C -0.433 176.171 176.600 0.008 0.000 0.931 152 K CA -0.667 55.622 56.287 0.004 0.000 0.793 152 K CB 1.174 33.677 32.500 0.005 0.000 1.211 152 K HN 0.551 nan 8.250 nan 0.000 0.426 153 G N 1.080 109.882 108.800 0.003 0.000 2.368 153 G HA2 0.367 4.331 3.960 0.007 0.000 0.233 153 G HA3 0.367 4.331 3.960 0.007 0.000 0.233 153 G C -0.612 174.299 174.900 0.018 0.000 1.267 153 G CA 0.290 45.393 45.100 0.004 0.000 0.873 153 G HN 0.912 nan 8.290 nan 0.000 0.539 154 A N 1.897 124.731 122.820 0.023 0.000 2.556 154 A HA 0.618 4.942 4.320 0.007 0.000 0.294 154 A C -0.774 176.850 177.584 0.066 0.000 1.091 154 A CA -0.741 51.325 52.037 0.050 0.000 0.704 154 A CB 1.498 20.529 19.000 0.051 0.000 1.300 154 A HN 0.857 nan 8.150 nan 0.000 0.406 155 H N 1.731 120.803 119.070 0.003 0.000 2.761 155 H HA 0.516 5.077 4.556 0.007 0.000 0.284 155 H C -1.135 174.195 175.328 0.004 0.000 1.105 155 H CA 0.000 56.049 56.048 0.002 0.000 1.352 155 H CB 0.178 29.939 29.762 -0.000 0.000 1.423 155 H HN 0.462 nan 8.280 nan 0.000 0.464 156 I N 6.250 126.882 120.570 0.104 0.000 2.355 156 I HA 0.110 4.284 4.170 0.007 0.000 0.288 156 I C -0.227 175.948 176.117 0.097 0.000 0.999 156 I CA -0.843 60.515 61.300 0.097 0.000 1.163 156 I CB 1.760 39.782 38.000 0.037 0.000 1.316 156 I HN 0.199 nan 8.210 nan 0.000 0.454 157 V N 7.017 127.004 119.914 0.121 0.000 2.333 157 V HA 0.324 4.448 4.120 0.007 0.000 0.274 157 V C 0.458 176.582 176.094 0.050 0.000 1.028 157 V CA -0.584 61.769 62.300 0.089 0.000 0.851 157 V CB 1.121 32.998 31.823 0.091 0.000 1.000 157 V HN 0.600 nan 8.190 nan 0.000 0.456 158 M N 4.315 123.937 119.600 0.037 0.000 2.200 158 M HA 0.226 4.710 4.480 0.007 0.000 0.355 158 M C 0.998 177.315 176.300 0.029 0.000 1.283 158 M CA -0.245 55.074 55.300 0.031 0.000 1.124 158 M CB 0.836 33.450 32.600 0.022 0.000 1.625 158 M HN 0.779 nan 8.290 nan 0.000 0.463 159 D N 2.455 122.872 120.400 0.028 0.000 2.289 159 D HA -0.033 4.611 4.640 0.007 0.000 0.207 159 D C 0.025 176.340 176.300 0.024 0.000 0.966 159 D CA 0.881 54.895 54.000 0.022 0.000 0.868 159 D CB 0.325 41.137 40.800 0.019 0.000 0.943 159 D HN 0.616 nan 8.370 nan 0.000 0.514 160 K N 0.299 120.717 120.400 0.030 0.000 2.422 160 K HA 0.499 4.823 4.320 0.007 0.000 0.251 160 K C -0.940 175.680 176.600 0.033 0.000 0.933 160 K CA -1.017 55.290 56.287 0.033 0.000 0.798 160 K CB 2.745 35.270 32.500 0.041 0.000 1.238 160 K HN -0.203 nan 8.250 nan 0.000 0.428 161 V N 1.861 121.797 119.914 0.037 0.000 2.439 161 V HA 0.133 4.257 4.120 0.007 0.000 0.271 161 V C -0.041 176.082 176.094 0.048 0.000 1.040 161 V CA 0.018 62.342 62.300 0.040 0.000 1.002 161 V CB 0.704 32.554 31.823 0.044 0.000 1.000 161 V HN 0.858 nan 8.190 nan 0.000 0.477 162 S N 3.505 119.226 115.700 0.035 0.000 2.614 162 S HA 0.379 4.853 4.470 0.007 0.000 0.288 162 S C 0.495 175.122 174.600 0.044 0.000 1.137 162 S CA -0.076 58.146 58.200 0.036 0.000 0.992 162 S CB 1.921 65.120 63.200 -0.001 0.000 1.026 162 S HN 0.751 nan 8.310 nan 0.000 0.486 163 V N 5.367 125.329 119.914 0.080 0.000 2.379 163 V HA 0.193 4.317 4.120 0.007 0.000 0.245 163 V C 2.021 178.244 176.094 0.214 0.000 1.044 163 V CA 2.477 64.847 62.300 0.118 0.000 1.036 163 V CB -1.401 30.494 31.823 0.120 0.000 0.664 163 V HN 0.914 nan 8.190 nan 0.000 0.453 164 G N 0.085 109.035 108.800 0.250 0.000 2.514 164 G HA2 -0.256 3.708 3.960 0.007 0.000 0.217 164 G HA3 -0.256 3.708 3.960 0.007 0.000 0.217 164 G C 1.818 176.805 174.900 0.144 0.000 1.198 164 G CA 1.584 46.926 45.100 0.403 0.000 0.780 164 G HN 0.981 nan 8.290 nan 0.000 0.565 165 A N -0.104 122.510 122.820 -0.344 0.000 1.933 165 A HA -0.000 4.324 4.320 0.007 0.000 0.218 165 A C 2.535 180.046 177.584 -0.122 0.000 1.175 165 A CA 2.483 54.227 52.037 -0.488 0.000 0.628 165 A CB -0.963 17.822 19.000 -0.358 0.000 0.814 165 A HN 0.325 nan 8.150 nan 0.000 0.444 166 T N -0.307 114.227 114.554 -0.033 0.000 2.684 166 T HA -0.142 4.212 4.350 0.007 0.000 0.267 166 T C 1.892 176.586 174.700 -0.009 0.000 1.036 166 T CA 1.668 63.761 62.100 -0.011 0.000 1.148 166 T CB -0.490 68.378 68.868 0.001 0.000 0.863 166 T HN 0.151 nan 8.240 nan 0.000 0.436 167 V N 1.303 121.226 119.914 0.015 0.000 2.261 167 V HA -0.215 3.909 4.120 0.007 0.000 0.246 167 V C 2.814 178.886 176.094 -0.038 0.000 1.047 167 V CA 2.164 64.403 62.300 -0.101 0.000 1.015 167 V CB -1.144 30.453 31.823 -0.377 0.000 0.642 167 V HN 0.524 nan 8.190 nan 0.000 0.446 168 T N 0.334 114.969 114.554 0.134 0.000 2.607 168 T HA -0.194 4.160 4.350 0.007 0.000 0.267 168 T C 1.786 176.534 174.700 0.079 0.000 1.049 168 T CA 2.151 64.365 62.100 0.190 0.000 1.162 168 T CB -0.336 68.734 68.868 0.337 0.000 0.863 168 T HN 0.334 nan 8.240 nan 0.000 0.424 169 I N 0.630 121.224 120.570 0.039 0.000 2.163 169 I HA -0.222 3.952 4.170 0.007 0.000 0.243 169 I C 2.604 178.721 176.117 0.001 0.000 1.085 169 I CA 1.518 62.830 61.300 0.019 0.000 1.347 169 I CB -0.423 37.580 38.000 0.005 0.000 1.044 169 I HN 0.290 nan 8.210 nan 0.000 0.408 170 M N 0.322 119.912 119.600 -0.017 0.000 2.099 170 M HA -0.197 4.287 4.480 0.007 0.000 0.262 170 M C 2.482 178.762 176.300 -0.033 0.000 1.067 170 M CA 1.871 57.152 55.300 -0.032 0.000 1.124 170 M CB 0.009 32.581 32.600 -0.046 0.000 1.353 170 M HN 0.094 nan 8.290 nan 0.000 0.410 171 S N 0.779 116.460 115.700 -0.032 0.000 2.356 171 S HA -0.085 4.389 4.470 0.007 0.000 0.223 171 S C 2.029 176.624 174.600 -0.009 0.000 1.032 171 S CA 1.343 59.528 58.200 -0.024 0.000 1.005 171 S CB -0.568 62.619 63.200 -0.021 0.000 0.867 171 S HN 0.686 nan 8.310 nan 0.000 0.449 172 A N 1.583 124.408 122.820 0.009 0.000 1.902 172 A HA 0.089 4.413 4.320 0.007 0.000 0.217 172 A C 2.334 179.913 177.584 -0.008 0.000 1.181 172 A CA 1.716 53.760 52.037 0.011 0.000 0.623 172 A CB -1.083 17.937 19.000 0.032 0.000 0.818 172 A HN 0.525 nan 8.150 nan 0.000 0.443 173 A N -0.131 122.682 122.820 -0.011 0.000 2.070 173 A HA -0.082 4.242 4.320 0.007 0.000 0.220 173 A C 2.303 179.867 177.584 -0.032 0.000 1.159 173 A CA 2.275 54.301 52.037 -0.020 0.000 0.656 173 A CB -1.392 17.595 19.000 -0.023 0.000 0.800 173 A HN 0.821 nan 8.150 nan 0.000 0.453 174 T N -3.118 111.412 114.554 -0.041 0.000 2.929 174 T HA -0.044 4.310 4.350 0.007 0.000 0.271 174 T C 1.148 175.815 174.700 -0.056 0.000 1.085 174 T CA 1.408 63.475 62.100 -0.054 0.000 1.125 174 T CB -0.164 68.663 68.868 -0.069 0.000 0.874 174 T HN 0.121 nan 8.240 nan 0.000 0.494 175 L N 0.370 121.561 121.223 -0.053 0.000 2.766 175 L HA 0.625 4.969 4.340 0.007 0.000 0.242 175 L C 1.213 178.055 176.870 -0.047 0.000 1.136 175 L CA -0.621 54.183 54.840 -0.060 0.000 0.933 175 L CB -0.437 41.575 42.059 -0.078 0.000 1.241 175 L HN 0.397 nan 8.230 nan 0.000 0.522 176 A N 0.186 122.985 122.820 -0.035 0.000 2.313 176 A HA 0.411 4.735 4.320 0.007 0.000 0.261 176 A C 0.307 177.877 177.584 -0.024 0.000 1.090 176 A CA -0.417 51.605 52.037 -0.025 0.000 0.807 176 A CB 0.090 19.080 19.000 -0.015 0.000 1.055 176 A HN 0.378 nan 8.150 nan 0.000 0.492 177 E N 0.765 120.955 120.200 -0.018 0.000 2.194 177 E HA 0.502 4.856 4.350 0.007 0.000 0.284 177 E C 0.427 177.021 176.600 -0.011 0.000 1.035 177 E CA -0.068 56.323 56.400 -0.016 0.000 0.836 177 E CB 0.363 30.056 29.700 -0.012 0.000 1.070 177 E HN 1.824 nan 8.360 nan 0.000 0.401 178 G N 2.739 111.531 108.800 -0.012 0.000 2.582 178 G HA2 -0.183 3.781 3.960 0.007 0.000 0.222 178 G HA3 -0.183 3.781 3.960 0.007 0.000 0.222 178 G C -0.546 174.347 174.900 -0.012 0.000 1.311 178 G CA -0.391 44.704 45.100 -0.008 0.000 0.915 178 G HN 0.651 nan 8.290 nan 0.000 0.528 179 T N 1.370 115.920 114.554 -0.007 0.000 2.767 179 T HA 0.639 4.993 4.350 0.007 0.000 0.288 179 T C 0.171 174.863 174.700 -0.014 0.000 0.963 179 T CA 0.354 62.446 62.100 -0.013 0.000 1.019 179 T CB 1.374 70.237 68.868 -0.008 0.000 0.923 179 T HN 0.725 nan 8.240 nan 0.000 0.468 180 T N 4.613 119.148 114.554 -0.030 0.000 2.797 180 T HA 0.533 4.887 4.350 0.007 0.000 0.279 180 T C -0.336 174.311 174.700 -0.088 0.000 0.991 180 T CA -0.649 61.426 62.100 -0.042 0.000 0.979 180 T CB 0.545 69.393 68.868 -0.033 0.000 0.943 180 T HN 0.294 nan 8.240 nan 0.000 0.444 181 I N 4.046 124.520 120.570 -0.159 0.000 2.406 181 I HA 0.444 4.618 4.170 0.007 0.000 0.290 181 I C -0.172 175.797 176.117 -0.246 0.000 0.999 181 I CA -1.060 60.074 61.300 -0.277 0.000 1.124 181 I CB 1.467 39.099 38.000 -0.613 0.000 1.289 181 I HN 0.612 nan 8.210 nan 0.000 0.441 182 I N 5.776 126.252 120.570 -0.155 0.000 2.330 182 I HA 0.274 4.448 4.170 0.007 0.000 0.286 182 I C 0.304 176.373 176.117 -0.081 0.000 1.025 182 I CA -0.465 60.780 61.300 -0.093 0.000 1.197 182 I CB 0.851 38.820 38.000 -0.052 0.000 1.358 182 I HN 0.450 nan 8.210 nan 0.000 0.467 183 E N 6.594 126.760 120.200 -0.057 0.000 2.197 183 E HA 0.280 4.634 4.350 0.007 0.000 0.281 183 E C -0.371 176.233 176.600 0.007 0.000 0.995 183 E CA -0.468 55.925 56.400 -0.012 0.000 0.808 183 E CB 0.843 30.569 29.700 0.043 0.000 1.093 183 E HN 0.505 nan 8.360 nan 0.000 0.394 184 N N 0.338 119.043 118.700 0.009 0.000 2.861 184 N HA -0.152 4.592 4.740 0.007 0.000 0.247 184 N C -0.764 174.753 175.510 0.012 0.000 1.117 184 N CA 0.809 53.868 53.050 0.014 0.000 0.703 184 N CB -1.535 36.964 38.487 0.020 0.000 1.052 184 N HN 0.580 nan 8.380 nan 0.000 0.555 185 A N -0.074 122.749 122.820 0.004 0.000 2.407 185 A HA 0.674 4.998 4.320 0.007 0.000 0.248 185 A C 1.000 178.593 177.584 0.015 0.000 1.082 185 A CA 0.310 52.349 52.037 0.003 0.000 0.785 185 A CB 0.444 19.439 19.000 -0.008 0.000 1.020 185 A HN 0.594 nan 8.150 nan 0.000 0.489 186 A N 1.575 124.407 122.820 0.020 0.000 2.511 186 A HA 0.339 4.663 4.320 0.007 0.000 0.242 186 A C 1.020 178.621 177.584 0.028 0.000 1.069 186 A CA -0.025 52.031 52.037 0.032 0.000 0.763 186 A CB -0.038 18.983 19.000 0.035 0.000 1.001 186 A HN 0.853 nan 8.150 nan 0.000 0.498 187 R N 0.857 121.385 120.500 0.046 0.000 2.362 187 R HA 0.072 4.416 4.340 0.007 0.000 0.227 187 R C -0.393 175.925 176.300 0.030 0.000 0.905 187 R CA -0.165 55.969 56.100 0.058 0.000 1.067 187 R CB 0.192 30.561 30.300 0.115 0.000 1.078 187 R HN 0.803 nan 8.270 nan 0.000 0.516 188 E N 1.274 121.449 120.200 -0.041 0.000 2.508 188 E HA -0.075 4.279 4.350 0.007 0.000 0.266 188 E C -1.701 174.760 176.600 -0.231 0.000 1.010 188 E CA -0.850 55.413 56.400 -0.227 0.000 0.955 188 E CB 0.398 30.013 29.700 -0.140 0.000 0.946 188 E HN -0.110 nan 8.360 nan 0.000 0.454 189 P HA -0.175 nan 4.420 nan 0.000 0.217 189 P C 0.246 177.481 177.300 -0.109 0.000 1.148 189 P CA 1.245 64.225 63.100 -0.199 0.000 0.828 189 P CB 0.261 31.833 31.700 -0.213 0.000 0.783 190 E N -1.208 118.928 120.200 -0.107 0.000 2.268 190 E HA -0.110 4.244 4.350 0.007 0.000 0.195 190 E C 1.854 178.409 176.600 -0.075 0.000 0.995 190 E CA 0.695 57.051 56.400 -0.073 0.000 0.836 190 E CB -0.757 28.908 29.700 -0.058 0.000 0.763 190 E HN 0.207 nan 8.360 nan 0.000 0.491 191 I N 0.003 120.532 120.570 -0.069 0.000 2.233 191 I HA -0.162 4.012 4.170 0.007 0.000 0.243 191 I C 2.102 178.188 176.117 -0.050 0.000 1.093 191 I CA 0.793 62.056 61.300 -0.062 0.000 1.380 191 I CB -0.940 37.037 38.000 -0.039 0.000 1.067 191 I HN 0.009 nan 8.210 nan 0.000 0.413 192 V N 1.033 120.925 119.914 -0.036 0.000 2.295 192 V HA -0.296 3.828 4.120 0.007 0.000 0.246 192 V C 2.286 178.384 176.094 0.006 0.000 1.049 192 V CA 2.208 64.500 62.300 -0.012 0.000 1.024 192 V CB -0.683 31.139 31.823 -0.002 0.000 0.648 192 V HN 0.315 nan 8.190 nan 0.000 0.447 193 D N -0.349 120.059 120.400 0.013 0.000 2.144 193 D HA -0.134 4.510 4.640 0.007 0.000 0.199 193 D C 2.235 178.539 176.300 0.006 0.000 0.984 193 D CA 1.656 55.701 54.000 0.074 0.000 0.834 193 D CB -0.087 40.759 40.800 0.076 0.000 0.955 193 D HN 0.421 nan 8.370 nan 0.000 0.465 194 T N -0.457 114.062 114.554 -0.059 0.000 2.737 194 T HA -0.081 4.273 4.350 0.007 0.000 0.265 194 T C 1.956 176.621 174.700 -0.057 0.000 1.038 194 T CA 1.429 63.473 62.100 -0.094 0.000 1.144 194 T CB -0.463 68.309 68.868 -0.159 0.000 0.866 194 T HN 0.210 nan 8.240 nan 0.000 0.434 195 A N 2.290 125.076 122.820 -0.056 0.000 1.933 195 A HA -0.162 4.162 4.320 0.007 0.000 0.218 195 A C 2.247 179.791 177.584 -0.067 0.000 1.175 195 A CA 1.557 53.561 52.037 -0.056 0.000 0.628 195 A CB -0.618 18.357 19.000 -0.041 0.000 0.814 195 A HN 0.363 nan 8.150 nan 0.000 0.444 196 N N -1.025 117.650 118.700 -0.043 0.000 2.142 196 N HA -0.104 4.640 4.740 0.007 0.000 0.186 196 N C 1.393 176.778 175.510 -0.209 0.000 1.023 196 N CA 1.447 54.491 53.050 -0.010 0.000 0.852 196 N CB -0.595 37.985 38.487 0.155 0.000 0.998 196 N HN 0.549 nan 8.380 nan 0.000 0.424 197 F N 1.760 121.269 119.950 -0.735 0.000 2.075 197 F HA -0.035 4.497 4.527 0.008 0.000 0.297 197 F C 1.982 177.509 175.800 -0.455 0.000 1.113 197 F CA 1.063 58.403 58.000 -1.100 0.000 1.218 197 F CB -0.595 37.808 39.000 -0.994 0.000 0.984 197 F HN -0.073 nan 8.300 nan 0.000 0.472 198 L N -0.274 120.707 121.223 -0.403 0.000 2.043 198 L HA -0.271 4.073 4.340 0.007 0.000 0.212 198 L C 2.419 179.100 176.870 -0.314 0.000 1.075 198 L CA 1.379 55.991 54.840 -0.380 0.000 0.752 198 L CB -0.981 40.980 42.059 -0.164 0.000 0.891 198 L HN 0.077 nan 8.230 nan 0.000 0.432 199 V N -0.205 119.581 119.914 -0.214 0.000 2.427 199 V HA -0.248 3.876 4.120 0.007 0.000 0.248 199 V C 2.690 178.695 176.094 -0.148 0.000 1.051 199 V CA 1.647 63.863 62.300 -0.139 0.000 1.048 199 V CB -0.746 31.032 31.823 -0.075 0.000 0.666 199 V HN 0.485 nan 8.190 nan 0.000 0.456 200 A N -0.203 122.507 122.820 -0.183 0.000 1.972 200 A HA -0.099 4.225 4.320 0.007 0.000 0.219 200 A C 2.058 179.521 177.584 -0.201 0.000 1.169 200 A CA 1.462 53.425 52.037 -0.123 0.000 0.635 200 A CB -0.449 18.541 19.000 -0.016 0.000 0.810 200 A HN 0.537 nan 8.150 nan 0.000 0.446 201 L N -1.591 119.416 121.223 -0.359 0.000 2.599 201 L HA 0.194 4.538 4.340 0.007 0.000 0.230 201 L C 1.580 178.336 176.870 -0.189 0.000 1.141 201 L CA 0.596 55.253 54.840 -0.305 0.000 0.877 201 L CB -0.161 41.637 42.059 -0.434 0.000 1.009 201 L HN 0.595 nan 8.230 nan 0.000 0.447 202 G N -0.576 108.130 108.800 -0.157 0.000 2.175 202 G HA2 -0.144 3.820 3.960 0.007 0.000 0.182 202 G HA3 -0.144 3.820 3.960 0.007 0.000 0.182 202 G C 0.319 175.157 174.900 -0.105 0.000 1.003 202 G CA -0.184 44.851 45.100 -0.108 0.000 0.666 202 G HN 0.409 nan 8.290 nan 0.000 0.506 203 A N 0.011 122.754 122.820 -0.128 0.000 2.296 203 A HA 0.703 5.027 4.320 0.007 0.000 0.264 203 A C 0.470 178.007 177.584 -0.078 0.000 1.097 203 A CA 0.199 52.175 52.037 -0.102 0.000 0.811 203 A CB 0.429 19.360 19.000 -0.115 0.000 1.072 203 A HN 0.305 nan 8.150 nan 0.000 0.495 204 K N 0.962 121.325 120.400 -0.063 0.000 2.419 204 K HA 0.520 4.844 4.320 0.007 0.000 0.244 204 K C -1.461 175.112 176.600 -0.046 0.000 1.045 204 K CA 0.333 56.591 56.287 -0.048 0.000 1.004 204 K CB 0.670 33.146 32.500 -0.040 0.000 1.376 204 K HN 0.564 nan 8.250 nan 0.000 0.460 205 I N 1.470 122.013 120.570 -0.045 0.000 2.545 205 I HA 0.295 4.469 4.170 0.007 0.000 0.292 205 I C -0.152 175.946 176.117 -0.032 0.000 1.040 205 I CA -0.715 60.560 61.300 -0.042 0.000 1.068 205 I CB 2.195 40.166 38.000 -0.049 0.000 1.251 205 I HN 0.459 nan 8.210 nan 0.000 0.424 206 S N 2.439 118.122 115.700 -0.028 0.000 2.595 206 S HA 0.828 5.302 4.470 0.007 0.000 0.281 206 S C 0.311 174.899 174.600 -0.021 0.000 1.117 206 S CA -0.049 58.138 58.200 -0.021 0.000 0.873 206 S CB 1.997 65.186 63.200 -0.017 0.000 1.108 206 S HN 1.320 nan 8.310 nan 0.000 0.477 207 G N 0.793 109.585 108.800 -0.013 0.000 2.176 207 G HA2 -0.237 3.727 3.960 0.007 0.000 0.253 207 G HA3 -0.237 3.727 3.960 0.007 0.000 0.253 207 G C 0.102 174.997 174.900 -0.008 0.000 0.979 207 G CA 0.181 45.274 45.100 -0.011 0.000 0.641 207 G HN 1.249 nan 8.290 nan 0.000 0.530 208 Q N 0.247 120.041 119.800 -0.010 0.000 2.315 208 Q HA 0.397 4.741 4.340 0.007 0.000 0.289 208 Q C 1.225 177.228 176.000 0.005 0.000 1.044 208 Q CA 0.946 56.744 55.803 -0.008 0.000 0.920 208 Q CB 0.856 29.587 28.738 -0.013 0.000 1.214 208 Q HN 1.816 nan 8.270 nan 0.000 0.392 209 G N 1.993 110.800 108.800 0.012 0.000 2.234 209 G HA2 -0.308 3.656 3.960 0.007 0.000 0.235 209 G HA3 -0.308 3.656 3.960 0.007 0.000 0.235 209 G C 0.288 175.211 174.900 0.039 0.000 0.997 209 G CA 0.450 45.571 45.100 0.034 0.000 0.623 209 G HN 1.163 nan 8.290 nan 0.000 0.514 210 T N -2.358 112.209 114.554 0.022 0.000 2.910 210 T HA 0.585 4.939 4.350 0.007 0.000 0.279 210 T C 0.768 175.477 174.700 0.014 0.000 0.989 210 T CA 0.430 62.540 62.100 0.017 0.000 0.968 210 T CB 1.597 70.470 68.868 0.008 0.000 1.135 210 T HN -0.102 nan 8.240 nan 0.000 0.562 211 D N -0.151 120.256 120.400 0.012 0.000 2.371 211 D HA 0.042 4.686 4.640 0.007 0.000 0.221 211 D C 0.718 177.018 176.300 -0.000 0.000 0.986 211 D CA 0.724 54.730 54.000 0.010 0.000 0.899 211 D CB 0.207 41.014 40.800 0.012 0.000 0.902 211 D HN 0.446 nan 8.370 nan 0.000 0.530 212 R N 0.749 121.244 120.500 -0.008 0.000 2.514 212 R HA 0.425 4.769 4.340 0.007 0.000 0.296 212 R C -1.288 174.993 176.300 -0.032 0.000 1.012 212 R CA -0.429 55.656 56.100 -0.026 0.000 0.897 212 R CB 1.090 31.375 30.300 -0.025 0.000 1.184 212 R HN -0.169 nan 8.270 nan 0.000 0.440 213 I N 3.365 123.909 120.570 -0.044 0.000 2.377 213 I HA 0.315 4.489 4.170 0.007 0.000 0.293 213 I C -0.285 175.795 176.117 -0.061 0.000 0.987 213 I CA -0.652 60.622 61.300 -0.043 0.000 1.185 213 I CB 2.293 40.270 38.000 -0.038 0.000 1.341 213 I HN 0.543 nan 8.210 nan 0.000 0.455 214 T N 7.033 121.555 114.554 -0.053 0.000 2.792 214 T HA 0.649 5.003 4.350 0.007 0.000 0.280 214 T C -0.399 174.273 174.700 -0.047 0.000 0.990 214 T CA -0.330 61.736 62.100 -0.057 0.000 0.960 214 T CB 1.286 70.126 68.868 -0.047 0.000 0.939 214 T HN 0.194 nan 8.240 nan 0.000 0.439 215 I N 2.292 122.833 120.570 -0.048 0.000 2.465 215 I HA 0.378 4.552 4.170 0.007 0.000 0.291 215 I C 0.174 176.269 176.117 -0.037 0.000 1.014 215 I CA -0.539 60.736 61.300 -0.043 0.000 1.093 215 I CB 2.044 40.018 38.000 -0.044 0.000 1.267 215 I HN 0.508 nan 8.210 nan 0.000 0.431 216 E N 4.164 124.343 120.200 -0.035 0.000 2.102 216 E HA 0.462 4.816 4.350 0.007 0.000 0.263 216 E C -0.054 176.525 176.600 -0.035 0.000 0.894 216 E CA -0.621 55.761 56.400 -0.030 0.000 0.746 216 E CB 1.345 31.029 29.700 -0.027 0.000 1.129 216 E HN 0.853 nan 8.360 nan 0.000 0.416 217 G N 2.408 111.189 108.800 -0.032 0.000 2.414 217 G HA2 0.250 4.214 3.960 0.007 0.000 0.236 217 G HA3 0.250 4.214 3.960 0.007 0.000 0.236 217 G C 0.185 175.062 174.900 -0.038 0.000 1.293 217 G CA -0.151 44.928 45.100 -0.036 0.000 0.869 217 G HN 0.357 nan 8.290 nan 0.000 0.556 218 V N -0.153 119.734 119.914 -0.045 0.000 3.019 218 V HA 0.566 4.690 4.120 0.007 0.000 0.317 218 V C 0.740 176.805 176.094 -0.049 0.000 1.094 218 V CA -0.775 61.498 62.300 -0.046 0.000 1.000 218 V CB 2.063 33.854 31.823 -0.053 0.000 1.060 218 V HN 0.793 nan 8.190 nan 0.000 0.443 219 E N 1.199 121.372 120.200 -0.045 0.000 2.216 219 E HA 0.082 4.436 4.350 0.007 0.000 0.192 219 E C 0.624 177.189 176.600 -0.058 0.000 0.988 219 E CA 0.747 57.119 56.400 -0.047 0.000 0.834 219 E CB 0.222 29.900 29.700 -0.037 0.000 0.772 219 E HN 0.751 nan 8.360 nan 0.000 0.479 220 R N -0.067 120.398 120.500 -0.059 0.000 2.680 220 R HA 0.448 4.792 4.340 0.007 0.000 0.269 220 R C -1.599 174.658 176.300 -0.073 0.000 1.026 220 R CA -0.697 55.363 56.100 -0.067 0.000 0.889 220 R CB 0.904 31.172 30.300 -0.052 0.000 1.241 220 R HN -0.117 nan 8.270 nan 0.000 0.463 221 L N 1.891 123.065 121.223 -0.083 0.000 2.329 221 L HA 0.536 4.880 4.340 0.007 0.000 0.279 221 L C 0.892 177.714 176.870 -0.079 0.000 1.014 221 L CA -0.724 54.058 54.840 -0.097 0.000 0.814 221 L CB 1.978 43.961 42.059 -0.127 0.000 1.257 221 L HN 1.012 nan 8.230 nan 0.000 0.424 222 G N 1.450 110.201 108.800 -0.083 0.000 3.022 222 G HA2 0.582 4.546 3.960 0.007 0.000 0.157 222 G HA3 0.582 4.546 3.960 0.007 0.000 0.157 222 G C 0.027 174.896 174.900 -0.051 0.000 1.691 222 G CA 0.378 45.445 45.100 -0.055 0.000 1.079 222 G HN 0.769 nan 8.290 nan 0.000 0.549 223 G N -3.453 105.325 108.800 -0.036 0.000 2.827 223 G HA2 0.731 4.695 3.960 0.007 0.000 0.296 223 G HA3 0.731 4.695 3.960 0.007 0.000 0.296 223 G C -0.364 174.534 174.900 -0.003 0.000 1.362 223 G CA 0.166 45.262 45.100 -0.006 0.000 0.809 223 G HN 1.871 nan 8.290 nan 0.000 0.522 224 G N -2.535 106.293 108.800 0.046 0.000 2.339 224 G HA2 0.497 4.461 3.960 0.007 0.000 0.275 224 G HA3 0.497 4.461 3.960 0.007 0.000 0.275 224 G C -1.904 173.062 174.900 0.110 0.000 1.323 224 G CA 0.159 45.298 45.100 0.064 0.000 0.927 224 G HN 1.421 nan 8.290 nan 0.000 0.486 225 V N 0.441 120.424 119.914 0.115 0.000 2.540 225 V HA 0.738 4.862 4.120 0.007 0.000 0.302 225 V C -1.131 175.077 176.094 0.190 0.000 1.035 225 V CA -0.548 61.818 62.300 0.111 0.000 0.873 225 V CB 1.452 33.308 31.823 0.055 0.000 0.992 225 V HN 0.908 nan 8.190 nan 0.000 0.428 226 Y N 4.089 124.427 120.300 0.063 0.000 2.433 226 Y HA 0.589 5.143 4.550 0.006 0.000 0.337 226 Y C -0.254 175.639 175.900 -0.012 0.000 1.026 226 Y CA -0.766 57.388 58.100 0.089 0.000 1.037 226 Y CB 1.701 40.351 38.460 0.317 0.000 1.245 226 Y HN 0.606 nan 8.280 nan 0.000 0.443 227 R N 5.194 125.380 120.500 -0.524 0.000 2.295 227 R HA 0.589 4.933 4.340 0.007 0.000 0.324 227 R C -1.379 174.741 176.300 -0.300 0.000 0.968 227 R CA -0.619 55.289 56.100 -0.321 0.000 0.837 227 R CB 1.036 31.173 30.300 -0.273 0.000 1.133 227 R HN 0.613 nan 8.270 nan 0.000 0.450 228 V N 6.552 126.404 119.914 -0.102 0.000 2.673 228 V HA -0.033 4.091 4.120 0.007 0.000 0.303 228 V C 0.997 177.060 176.094 -0.053 0.000 1.046 228 V CA 0.010 62.293 62.300 -0.028 0.000 1.126 228 V CB 0.424 32.215 31.823 -0.054 0.000 0.934 228 V HN 0.687 nan 8.190 nan 0.000 0.487 229 L N 6.110 127.323 121.223 -0.016 0.000 2.482 229 L HA 0.424 4.768 4.340 0.007 0.000 0.273 229 L C -2.328 174.523 176.870 -0.031 0.000 1.228 229 L CA -1.337 53.485 54.840 -0.030 0.000 0.827 229 L CB -0.077 41.974 42.059 -0.013 0.000 1.099 229 L HN 0.359 nan 8.230 nan 0.000 0.494 230 P HA 0.023 nan 4.420 nan 0.000 0.271 230 P C -1.176 176.116 177.300 -0.014 0.000 1.218 230 P CA -0.056 63.036 63.100 -0.013 0.000 0.780 230 P CB 0.379 32.079 31.700 -0.000 0.000 0.901 231 D N 2.488 122.883 120.400 -0.008 0.000 2.342 231 D HA -0.020 4.624 4.640 0.007 0.000 0.260 231 D C 1.384 177.680 176.300 -0.007 0.000 1.278 231 D CA -0.048 53.937 54.000 -0.024 0.000 0.910 231 D CB 0.482 41.261 40.800 -0.035 0.000 1.079 231 D HN 0.326 nan 8.370 nan 0.000 0.496 232 R N 3.941 124.427 120.500 -0.023 0.000 2.115 232 R HA -0.116 4.228 4.340 0.007 0.000 0.230 232 R C 1.274 177.570 176.300 -0.006 0.000 1.111 232 R CA 0.516 56.610 56.100 -0.010 0.000 0.976 232 R CB -0.166 30.118 30.300 -0.027 0.000 0.870 232 R HN 0.334 nan 8.270 nan 0.000 0.445 233 I N 2.020 122.569 120.570 -0.035 0.000 2.333 233 I HA -0.130 4.044 4.170 0.007 0.000 0.246 233 I C 2.600 178.722 176.117 0.009 0.000 1.106 233 I CA 1.177 62.456 61.300 -0.034 0.000 1.411 233 I CB -1.287 36.669 38.000 -0.074 0.000 1.082 233 I HN 0.351 nan 8.210 nan 0.000 0.420 234 E N 0.913 121.106 120.200 -0.011 0.000 2.077 234 E HA -0.208 4.146 4.350 0.007 0.000 0.193 234 E C 2.001 178.732 176.600 0.218 0.000 0.989 234 E CA 2.061 58.539 56.400 0.130 0.000 0.800 234 E CB 0.136 29.930 29.700 0.158 0.000 0.746 234 E HN 0.396 nan 8.360 nan 0.000 0.452 235 T N -0.003 114.659 114.554 0.180 0.000 2.652 235 T HA -0.158 4.196 4.350 0.007 0.000 0.267 235 T C 1.768 176.566 174.700 0.163 0.000 1.039 235 T CA 1.464 63.680 62.100 0.193 0.000 1.153 235 T CB -0.801 68.136 68.868 0.116 0.000 0.863 235 T HN 0.440 nan 8.240 nan 0.000 0.428 236 G N 0.975 109.839 108.800 0.106 0.000 2.442 236 G HA2 -0.227 3.737 3.960 0.007 0.000 0.219 236 G HA3 -0.227 3.737 3.960 0.007 0.000 0.219 236 G C 1.718 176.669 174.900 0.085 0.000 1.141 236 G CA 1.511 46.679 45.100 0.114 0.000 0.763 236 G HN 0.474 nan 8.290 nan 0.000 0.554 237 T N 1.128 115.695 114.554 0.022 0.000 2.684 237 T HA -0.111 4.243 4.350 0.007 0.000 0.267 237 T C 2.040 176.610 174.700 -0.218 0.000 1.036 237 T CA 1.261 63.286 62.100 -0.124 0.000 1.148 237 T CB -0.340 68.395 68.868 -0.221 0.000 0.863 237 T HN 0.225 nan 8.240 nan 0.000 0.436 238 F N 0.866 120.857 119.950 0.069 0.000 2.259 238 F HA 0.176 4.704 4.527 0.002 0.000 0.298 238 F C 2.110 177.923 175.800 0.023 0.000 1.088 238 F CA 0.362 58.383 58.000 0.035 0.000 1.358 238 F CB -0.681 38.346 39.000 0.045 0.000 1.040 238 F HN 0.071 nan 8.300 nan 0.000 0.505 239 L N -0.947 120.379 121.223 0.170 0.000 2.093 239 L HA -0.187 4.157 4.340 0.007 0.000 0.208 239 L C 2.338 179.227 176.870 0.031 0.000 1.085 239 L CA 0.664 55.571 54.840 0.110 0.000 0.755 239 L CB -0.697 41.433 42.059 0.118 0.000 0.904 239 L HN -0.036 nan 8.230 nan 0.000 0.435 240 V N -0.005 119.893 119.914 -0.027 0.000 2.307 240 V HA -0.269 3.855 4.120 0.007 0.000 0.245 240 V C 2.763 178.804 176.094 -0.089 0.000 1.045 240 V CA 1.716 63.935 62.300 -0.134 0.000 1.024 240 V CB -0.853 30.853 31.823 -0.196 0.000 0.651 240 V HN 0.475 nan 8.190 nan 0.000 0.449 241 A N 0.029 122.818 122.820 -0.052 0.000 1.948 241 A HA -0.202 4.122 4.320 0.007 0.000 0.220 241 A C 2.391 179.976 177.584 0.001 0.000 1.177 241 A CA 2.397 54.420 52.037 -0.024 0.000 0.636 241 A CB -0.729 18.278 19.000 0.012 0.000 0.815 241 A HN 0.589 nan 8.150 nan 0.000 0.449 242 A N -0.366 122.466 122.820 0.020 0.000 1.872 242 A HA 0.256 4.580 4.320 0.007 0.000 0.214 242 A C 2.513 180.088 177.584 -0.015 0.000 1.187 242 A CA 1.838 53.881 52.037 0.010 0.000 0.614 242 A CB -1.064 17.949 19.000 0.022 0.000 0.826 242 A HN 1.113 nan 8.150 nan 0.000 0.442 243 A N 0.438 123.241 122.820 -0.029 0.000 1.978 243 A HA -0.085 4.239 4.320 0.007 0.000 0.220 243 A C 2.012 179.564 177.584 -0.053 0.000 1.170 243 A CA 1.575 53.585 52.037 -0.045 0.000 0.636 243 A CB -0.745 18.209 19.000 -0.076 0.000 0.810 243 A HN 1.047 nan 8.150 nan 0.000 0.448 244 I N -3.234 117.299 120.570 -0.061 0.000 3.860 244 I HA 0.158 4.332 4.170 0.007 0.000 0.319 244 I C 1.249 177.346 176.117 -0.033 0.000 1.279 244 I CA 1.076 62.344 61.300 -0.054 0.000 1.220 244 I CB 0.368 38.326 38.000 -0.069 0.000 1.027 244 I HN 0.225 nan 8.210 nan 0.000 0.428 245 S N -0.209 115.476 115.700 -0.025 0.000 2.730 245 S HA 0.449 4.923 4.470 0.007 0.000 0.244 245 S C 1.376 175.968 174.600 -0.012 0.000 1.022 245 S CA 0.185 58.375 58.200 -0.017 0.000 1.014 245 S CB 0.317 63.507 63.200 -0.016 0.000 0.963 245 S HN 0.761 nan 8.310 nan 0.000 0.540 246 G N 0.696 109.489 108.800 -0.011 0.000 2.160 246 G HA2 -0.126 3.838 3.960 0.007 0.000 0.251 246 G HA3 -0.126 3.838 3.960 0.007 0.000 0.251 246 G C 0.561 175.451 174.900 -0.017 0.000 1.008 246 G CA -0.042 45.055 45.100 -0.006 0.000 0.724 246 G HN 1.105 nan 8.290 nan 0.000 0.514 247 G N -0.881 107.906 108.800 -0.022 0.000 2.653 247 G HA2 0.580 4.544 3.960 0.007 0.000 0.265 247 G HA3 0.580 4.544 3.960 0.007 0.000 0.265 247 G C -0.119 174.749 174.900 -0.052 0.000 1.237 247 G CA 0.328 45.411 45.100 -0.028 0.000 0.946 247 G HN 0.769 nan 8.290 nan 0.000 0.522 248 K N -0.792 119.581 120.400 -0.045 0.000 2.565 248 K HA 0.629 4.953 4.320 0.007 0.000 0.249 248 K C -1.592 174.994 176.600 -0.025 0.000 0.958 248 K CA -0.641 55.612 56.287 -0.057 0.000 0.806 248 K CB 1.131 33.585 32.500 -0.077 0.000 1.194 248 K HN 0.436 nan 8.250 nan 0.000 0.434 249 I N 3.428 123.995 120.570 -0.005 0.000 2.913 249 I HA 0.538 4.712 4.170 0.007 0.000 0.302 249 I C -1.407 174.734 176.117 0.039 0.000 1.246 249 I CA -1.112 60.196 61.300 0.014 0.000 1.010 249 I CB 2.222 40.247 38.000 0.041 0.000 1.259 249 I HN 0.356 nan 8.210 nan 0.000 0.434 250 V N 5.609 125.539 119.914 0.027 0.000 2.378 250 V HA 0.309 4.433 4.120 0.007 0.000 0.288 250 V C -0.515 175.620 176.094 0.068 0.000 1.016 250 V CA -0.566 61.768 62.300 0.057 0.000 0.840 250 V CB 1.161 32.964 31.823 -0.034 0.000 0.994 250 V HN 0.731 nan 8.190 nan 0.000 0.431 251 C N 6.393 125.776 119.300 0.138 0.000 2.281 251 C HA 0.500 4.964 4.460 0.007 0.000 0.336 251 C C 0.932 176.007 174.990 0.141 0.000 1.217 251 C CA -0.793 58.291 59.018 0.109 0.000 1.730 251 C CB -0.661 27.159 27.740 0.133 0.000 2.338 251 C HN 0.825 nan 8.230 nan 0.000 0.521 252 R N 2.954 123.502 120.500 0.079 0.000 2.500 252 R HA 0.281 4.625 4.340 0.007 0.000 0.277 252 R C 0.308 176.652 176.300 0.074 0.000 1.026 252 R CA -0.356 55.800 56.100 0.093 0.000 1.058 252 R CB 0.341 30.655 30.300 0.024 0.000 1.078 252 R HN 0.717 nan 8.270 nan 0.000 0.509 253 N N -0.995 117.754 118.700 0.082 0.000 2.740 253 N HA -0.193 4.551 4.740 0.007 0.000 0.248 253 N C -1.187 174.347 175.510 0.040 0.000 1.062 253 N CA 1.125 54.202 53.050 0.045 0.000 0.704 253 N CB -1.165 37.332 38.487 0.017 0.000 0.968 253 N HN 0.708 nan 8.380 nan 0.000 0.547 254 A N -0.177 122.678 122.820 0.058 0.000 2.269 254 A HA 0.693 5.017 4.320 0.007 0.000 0.327 254 A C 0.278 177.863 177.584 0.002 0.000 1.112 254 A CA -0.401 51.660 52.037 0.039 0.000 0.865 254 A CB 1.162 20.198 19.000 0.061 0.000 1.227 254 A HN 0.216 nan 8.150 nan 0.000 0.498 255 Q N 0.515 120.308 119.800 -0.012 0.000 2.695 255 Q HA 0.321 4.665 4.340 0.007 0.000 0.246 255 Q C -2.306 173.671 176.000 -0.038 0.000 0.961 255 Q CA -1.773 54.011 55.803 -0.031 0.000 0.708 255 Q CB 1.387 30.111 28.738 -0.023 0.000 1.282 255 Q HN 0.435 nan 8.270 nan 0.000 0.482 256 P HA -0.218 nan 4.420 nan 0.000 0.216 256 P C 0.628 177.902 177.300 -0.043 0.000 1.154 256 P CA 1.652 64.707 63.100 -0.074 0.000 0.865 256 P CB 0.174 31.786 31.700 -0.147 0.000 0.789 257 D N -1.141 119.237 120.400 -0.038 0.000 2.403 257 D HA -0.117 4.527 4.640 0.007 0.000 0.227 257 D C 1.085 177.398 176.300 0.021 0.000 0.995 257 D CA 1.417 55.409 54.000 -0.013 0.000 0.928 257 D CB -1.401 39.391 40.800 -0.014 0.000 0.887 257 D HN 0.240 nan 8.370 nan 0.000 0.529 258 T N -2.795 111.775 114.554 0.028 0.000 3.086 258 T HA 0.202 4.556 4.350 0.007 0.000 0.250 258 T C 1.270 176.024 174.700 0.089 0.000 1.074 258 T CA -0.247 61.897 62.100 0.074 0.000 0.988 258 T CB -0.204 68.674 68.868 0.016 0.000 0.988 258 T HN 0.172 nan 8.240 nan 0.000 0.530 259 L N 1.044 122.286 121.223 0.032 0.000 3.202 259 L HA 0.372 4.716 4.340 0.007 0.000 0.278 259 L C 0.829 177.691 176.870 -0.013 0.000 1.268 259 L CA -0.299 54.542 54.840 0.002 0.000 1.034 259 L CB 0.464 42.525 42.059 0.002 0.000 1.407 259 L HN -0.021 nan 8.230 nan 0.000 0.581 260 D N 1.433 121.823 120.400 -0.015 0.000 2.116 260 D HA -0.223 4.421 4.640 0.007 0.000 0.193 260 D C 2.168 178.460 176.300 -0.013 0.000 0.998 260 D CA 1.728 55.717 54.000 -0.019 0.000 0.836 260 D CB 0.201 40.984 40.800 -0.028 0.000 0.951 260 D HN 0.404 nan 8.370 nan 0.000 0.449 261 A N 0.725 123.524 122.820 -0.036 0.000 1.902 261 A HA -0.138 4.186 4.320 0.007 0.000 0.217 261 A C 2.590 180.187 177.584 0.022 0.000 1.181 261 A CA 1.289 53.326 52.037 -0.001 0.000 0.623 261 A CB -0.744 18.236 19.000 -0.032 0.000 0.818 261 A HN 0.159 nan 8.150 nan 0.000 0.443 262 V N 0.156 120.014 119.914 -0.094 0.000 2.358 262 V HA -0.232 3.892 4.120 0.007 0.000 0.246 262 V C 2.551 178.730 176.094 0.141 0.000 1.047 262 V CA 1.825 64.092 62.300 -0.055 0.000 1.035 262 V CB -0.675 31.083 31.823 -0.109 0.000 0.658 262 V HN 0.567 nan 8.190 nan 0.000 0.452 263 L N -0.025 121.254 121.223 0.092 0.000 2.046 263 L HA -0.151 4.193 4.340 0.007 0.000 0.208 263 L C 2.743 179.680 176.870 0.111 0.000 1.077 263 L CA 1.613 56.515 54.840 0.103 0.000 0.747 263 L CB -0.854 41.234 42.059 0.049 0.000 0.896 263 L HN 0.377 nan 8.230 nan 0.000 0.432 264 A N -0.077 122.797 122.820 0.089 0.000 1.902 264 A HA -0.231 4.093 4.320 0.007 0.000 0.217 264 A C 2.295 179.948 177.584 0.116 0.000 1.181 264 A CA 1.748 53.834 52.037 0.081 0.000 0.623 264 A CB -0.341 18.692 19.000 0.056 0.000 0.818 264 A HN 0.158 nan 8.150 nan 0.000 0.443 265 K N -0.052 120.443 120.400 0.157 0.000 2.097 265 K HA 0.077 4.401 4.320 0.007 0.000 0.205 265 K C 1.724 178.521 176.600 0.327 0.000 1.050 265 K CA 1.096 57.501 56.287 0.198 0.000 0.938 265 K CB -0.533 32.032 32.500 0.108 0.000 0.718 265 K HN 0.502 nan 8.250 nan 0.000 0.442 266 L N -0.163 121.276 121.223 0.359 0.000 2.056 266 L HA -0.105 4.239 4.340 0.007 0.000 0.207 266 L C 2.374 179.346 176.870 0.171 0.000 1.078 266 L CA 1.173 56.187 54.840 0.291 0.000 0.749 266 L CB -0.271 41.937 42.059 0.248 0.000 0.901 266 L HN 0.120 nan 8.230 nan 0.000 0.433 267 R N 0.057 120.641 120.500 0.140 0.000 2.096 267 R HA -0.172 4.172 4.340 0.007 0.000 0.235 267 R C 2.134 178.491 176.300 0.096 0.000 1.127 267 R CA 1.340 57.502 56.100 0.103 0.000 0.968 267 R CB -0.248 30.102 30.300 0.082 0.000 0.861 267 R HN 0.441 nan 8.270 nan 0.000 0.440 268 E N 0.373 120.636 120.200 0.104 0.000 2.153 268 E HA -0.147 4.207 4.350 0.007 0.000 0.194 268 E C 1.620 178.276 176.600 0.094 0.000 0.988 268 E CA 1.098 57.550 56.400 0.088 0.000 0.811 268 E CB -0.025 29.724 29.700 0.083 0.000 0.746 268 E HN 0.339 nan 8.360 nan 0.000 0.466 269 A N -0.058 122.835 122.820 0.122 0.000 2.235 269 A HA 0.208 4.532 4.320 0.007 0.000 0.208 269 A C 1.649 179.277 177.584 0.073 0.000 1.172 269 A CA 0.934 53.029 52.037 0.098 0.000 0.786 269 A CB -0.287 18.774 19.000 0.102 0.000 0.804 269 A HN 0.365 nan 8.150 nan 0.000 0.479 270 G N -2.365 106.481 108.800 0.076 0.000 2.195 270 G HA2 0.119 4.083 3.960 0.007 0.000 0.224 270 G HA3 0.119 4.083 3.960 0.007 0.000 0.224 270 G C 0.420 175.372 174.900 0.087 0.000 0.990 270 G CA 0.080 45.224 45.100 0.073 0.000 0.639 270 G HN 1.560 nan 8.290 nan 0.000 0.514 271 A N 0.312 123.182 122.820 0.084 0.000 2.388 271 A HA 0.553 4.877 4.320 0.007 0.000 0.257 271 A C 0.046 177.688 177.584 0.097 0.000 1.095 271 A CA 0.621 52.707 52.037 0.082 0.000 0.791 271 A CB 0.586 19.629 19.000 0.072 0.000 1.029 271 A HN 0.481 nan 8.150 nan 0.000 0.489 272 D N 2.465 122.927 120.400 0.104 0.000 2.467 272 D HA 0.443 5.087 4.640 0.007 0.000 0.220 272 D C -0.623 175.733 176.300 0.094 0.000 1.103 272 D CA 0.047 54.126 54.000 0.132 0.000 0.886 272 D CB -0.112 40.843 40.800 0.259 0.000 1.025 272 D HN 0.357 nan 8.370 nan 0.000 0.514 273 I N 2.461 123.087 120.570 0.094 0.000 2.412 273 I HA 0.367 4.541 4.170 0.007 0.000 0.296 273 I C 0.362 176.533 176.117 0.090 0.000 0.987 273 I CA -0.796 60.558 61.300 0.089 0.000 1.180 273 I CB 1.859 39.903 38.000 0.073 0.000 1.340 273 I HN 0.246 nan 8.210 nan 0.000 0.455 274 E N 3.298 123.570 120.200 0.121 0.000 2.266 274 E HA 0.557 4.911 4.350 0.007 0.000 0.268 274 E C -1.203 175.326 176.600 -0.118 0.000 0.879 274 E CA -0.596 55.868 56.400 0.107 0.000 0.762 274 E CB 2.372 32.246 29.700 0.291 0.000 1.199 274 E HN 0.679 nan 8.360 nan 0.000 0.422 275 T N -0.394 113.929 114.554 -0.386 0.000 2.906 275 T HA 0.818 5.172 4.350 0.007 0.000 0.295 275 T C 0.136 174.171 174.700 -1.109 0.000 1.061 275 T CA -0.671 60.949 62.100 -0.799 0.000 1.000 275 T CB 1.846 70.468 68.868 -0.410 0.000 1.103 275 T HN 0.460 nan 8.240 nan 0.000 0.486 276 G N -0.156 107.666 108.800 -1.630 0.000 3.251 276 G HA2 0.502 4.466 3.960 0.007 0.000 0.248 276 G HA3 0.502 4.466 3.960 0.007 0.000 0.248 276 G C 0.073 174.629 174.900 -0.573 0.000 1.320 276 G CA -0.611 43.841 45.100 -1.080 0.000 0.982 276 G HN 0.784 nan 8.290 nan 0.000 0.575 277 E N -1.057 118.988 120.200 -0.258 0.000 2.250 277 E HA 0.020 4.374 4.350 0.007 0.000 0.192 277 E C 0.493 177.029 176.600 -0.107 0.000 0.986 277 E CA 1.197 57.515 56.400 -0.137 0.000 0.849 277 E CB 0.265 29.937 29.700 -0.047 0.000 0.797 277 E HN 0.574 nan 8.360 nan 0.000 0.482 278 D N -0.884 119.482 120.400 -0.056 0.000 2.673 278 D HA 0.061 4.705 4.640 0.007 0.000 0.278 278 D C -0.285 176.101 176.300 0.143 0.000 1.393 278 D CA -0.601 53.420 54.000 0.034 0.000 0.805 278 D CB -0.070 40.777 40.800 0.078 0.000 1.110 278 D HN 0.115 nan 8.370 nan 0.000 0.476 279 W N 0.167 121.467 121.300 0.000 0.000 3.066 279 W HA 0.640 5.303 4.660 0.006 0.000 0.330 279 W C -2.325 174.200 176.519 0.011 0.000 1.253 279 W CA -1.358 55.989 57.345 0.002 0.000 1.187 279 W CB 0.465 29.922 29.460 -0.003 0.000 1.434 279 W HN -0.257 nan 8.180 nan 0.000 0.572 280 I N 2.911 123.666 120.570 0.309 0.000 2.571 280 I HA 0.257 4.431 4.170 0.007 0.000 0.289 280 I C -0.226 176.143 176.117 0.419 0.000 1.115 280 I CA -0.628 60.772 61.300 0.166 0.000 1.045 280 I CB 2.533 40.571 38.000 0.065 0.000 1.238 280 I HN 0.437 nan 8.210 nan 0.000 0.424 281 S N 6.597 122.578 115.700 0.469 0.000 2.537 281 S HA 0.876 5.350 4.470 0.007 0.000 0.301 281 S C -0.825 173.879 174.600 0.174 0.000 1.092 281 S CA -0.812 57.574 58.200 0.310 0.000 1.048 281 S CB 2.548 65.913 63.200 0.276 0.000 1.053 281 S HN 0.614 nan 8.310 nan 0.000 0.501 282 L N 1.667 122.950 121.223 0.099 0.000 2.436 282 L HA 0.684 5.028 4.340 0.007 0.000 0.268 282 L C -2.027 174.833 176.870 -0.016 0.000 0.974 282 L CA -0.314 54.559 54.840 0.055 0.000 0.826 282 L CB 1.983 44.077 42.059 0.059 0.000 1.291 282 L HN 0.778 nan 8.230 nan 0.000 0.406 283 D N 4.611 124.965 120.400 -0.076 0.000 2.629 283 D HA 0.322 4.966 4.640 0.007 0.000 0.250 283 D C 0.359 176.488 176.300 -0.285 0.000 1.126 283 D CA -0.476 53.369 54.000 -0.258 0.000 0.852 283 D CB 1.812 42.325 40.800 -0.478 0.000 1.335 283 D HN 0.477 nan 8.370 nan 0.000 0.518 284 M N 1.512 120.999 119.600 -0.188 0.000 2.476 284 M HA 0.046 4.530 4.480 0.007 0.000 0.262 284 M C 0.164 176.482 176.300 0.029 0.000 1.111 284 M CA 0.594 55.863 55.300 -0.052 0.000 1.127 284 M CB -1.137 31.453 32.600 -0.016 0.000 1.376 284 M HN 0.603 nan 8.290 nan 0.000 0.465 285 H N -0.414 118.667 119.070 0.019 0.000 2.931 285 H HA -0.077 4.483 4.556 0.007 0.000 0.290 285 H C 1.074 176.409 175.328 0.012 0.000 1.264 285 H CA 0.479 56.536 56.048 0.016 0.000 1.140 285 H CB -1.920 27.852 29.762 0.017 0.000 1.343 285 H HN 0.627 nan 8.280 nan 0.000 0.403 286 G N -0.607 108.234 108.800 0.068 0.000 2.168 286 G HA2 -0.378 3.586 3.960 0.007 0.000 0.263 286 G HA3 -0.378 3.586 3.960 0.007 0.000 0.263 286 G C 0.348 175.276 174.900 0.047 0.000 0.977 286 G CA 0.742 45.869 45.100 0.045 0.000 0.659 286 G HN 0.580 nan 8.290 nan 0.000 0.533 287 K N -0.200 120.238 120.400 0.063 0.000 2.087 287 K HA 0.570 4.894 4.320 0.007 0.000 0.255 287 K C 0.675 177.294 176.600 0.032 0.000 0.988 287 K CA -0.861 55.456 56.287 0.051 0.000 0.915 287 K CB 1.180 33.720 32.500 0.066 0.000 1.043 287 K HN 0.237 nan 8.250 nan 0.000 0.457 288 R N 2.062 122.577 120.500 0.026 0.000 2.441 288 R HA 0.179 4.523 4.340 0.007 0.000 0.284 288 R C -2.194 174.117 176.300 0.020 0.000 1.070 288 R CA -1.430 54.679 56.100 0.016 0.000 1.047 288 R CB 0.450 30.758 30.300 0.014 0.000 1.016 288 R HN 0.392 nan 8.270 nan 0.000 0.477 289 P HA 0.101 nan 4.420 nan 0.000 0.274 289 P C -1.332 175.981 177.300 0.023 0.000 1.246 289 P CA -0.122 62.986 63.100 0.014 0.000 0.795 289 P CB 0.708 32.402 31.700 -0.010 0.000 1.006 290 K N 0.556 120.976 120.400 0.034 0.000 2.159 290 K HA 0.561 4.885 4.320 0.007 0.000 0.266 290 K C 0.152 176.777 176.600 0.042 0.000 0.975 290 K CA -0.727 55.582 56.287 0.037 0.000 0.865 290 K CB 1.285 33.810 32.500 0.042 0.000 1.087 290 K HN 0.490 nan 8.250 nan 0.000 0.446 291 A N 2.236 125.079 122.820 0.037 0.000 2.520 291 A HA 0.190 4.514 4.320 0.007 0.000 0.235 291 A C -0.175 177.435 177.584 0.043 0.000 1.065 291 A CA -0.095 51.964 52.037 0.037 0.000 0.764 291 A CB 0.401 19.416 19.000 0.025 0.000 1.002 291 A HN 0.469 nan 8.150 nan 0.000 0.502 292 V N 1.139 121.084 119.914 0.051 0.000 3.102 292 V HA 0.575 4.699 4.120 0.007 0.000 0.312 292 V C 0.137 176.232 176.094 0.003 0.000 1.135 292 V CA -0.443 61.885 62.300 0.047 0.000 1.022 292 V CB 2.741 34.636 31.823 0.120 0.000 1.056 292 V HN 1.001 nan 8.190 nan 0.000 0.436 293 T N 2.806 117.343 114.554 -0.028 0.000 2.795 293 T HA 0.650 5.004 4.350 0.007 0.000 0.282 293 T C -0.726 173.889 174.700 -0.141 0.000 0.980 293 T CA -0.230 61.831 62.100 -0.065 0.000 1.012 293 T CB 1.272 70.110 68.868 -0.049 0.000 0.936 293 T HN 0.402 nan 8.240 nan 0.000 0.457 294 V N 4.383 124.179 119.914 -0.196 0.000 2.656 294 V HA 0.530 4.654 4.120 0.007 0.000 0.307 294 V C -0.223 175.719 176.094 -0.253 0.000 1.051 294 V CA -1.005 61.064 62.300 -0.386 0.000 0.893 294 V CB 2.113 33.522 31.823 -0.691 0.000 0.999 294 V HN 0.741 nan 8.190 nan 0.000 0.426 295 R N 2.206 122.571 120.500 -0.224 0.000 2.371 295 R HA 0.455 4.799 4.340 0.007 0.000 0.312 295 R C -0.053 176.230 176.300 -0.028 0.000 0.980 295 R CA -0.460 55.588 56.100 -0.087 0.000 0.867 295 R CB 1.746 32.021 30.300 -0.043 0.000 1.163 295 R HN 0.890 nan 8.270 nan 0.000 0.492 296 T N -0.026 114.558 114.554 0.049 0.000 2.919 296 T HA 0.634 4.987 4.350 0.007 0.000 0.302 296 T C 0.274 175.051 174.700 0.130 0.000 1.031 296 T CA -0.457 61.761 62.100 0.197 0.000 1.127 296 T CB 1.583 70.607 68.868 0.260 0.000 0.952 296 T HN 0.600 nan 8.240 nan 0.000 0.540 297 A N 3.589 126.491 122.820 0.137 0.000 2.568 297 A HA 0.837 5.161 4.320 0.007 0.000 0.291 297 A C -3.043 174.595 177.584 0.090 0.000 1.159 297 A CA -1.950 50.130 52.037 0.071 0.000 0.679 297 A CB 0.428 19.449 19.000 0.035 0.000 1.285 297 A HN 0.656 nan 8.150 nan 0.000 0.428 298 P HA 0.107 nan 4.420 nan 0.000 0.269 298 P C -0.380 176.969 177.300 0.081 0.000 1.209 298 P CA 0.155 63.310 63.100 0.092 0.000 0.776 298 P CB 0.150 31.884 31.700 0.057 0.000 0.876 299 H N 5.278 124.367 119.070 0.032 0.000 3.038 299 H HA -0.028 4.532 4.556 0.006 0.000 0.338 299 H C -1.332 174.002 175.328 0.009 0.000 1.041 299 H CA -0.614 55.440 56.048 0.010 0.000 1.394 299 H CB 0.599 30.365 29.762 0.005 0.000 1.357 299 H HN 0.307 nan 8.280 nan 0.000 0.600 300 P HA 0.163 nan 4.420 nan 0.000 0.253 300 P C -0.167 176.885 177.300 -0.413 0.000 1.459 300 P CA -0.068 62.422 63.100 -1.016 0.000 0.908 300 P CB -0.072 31.206 31.700 -0.703 0.000 1.470 301 A N 0.387 123.095 122.820 -0.187 0.000 2.262 301 A HA 0.277 4.601 4.320 0.007 0.000 0.273 301 A C -0.197 177.380 177.584 -0.011 0.000 1.202 301 A CA -0.513 51.494 52.037 -0.051 0.000 0.811 301 A CB -0.526 18.476 19.000 0.003 0.000 1.159 301 A HN 0.164 nan 8.150 nan 0.000 0.505 302 F N 1.431 121.338 119.950 -0.072 0.000 2.578 302 F HA 0.298 4.829 4.527 0.006 0.000 0.381 302 F C -1.822 173.961 175.800 -0.028 0.000 1.069 302 F CA -1.717 56.234 58.000 -0.081 0.000 1.231 302 F CB 0.511 39.434 39.000 -0.128 0.000 1.086 302 F HN 0.196 nan 8.300 nan 0.000 0.564 303 P HA 0.023 nan 4.420 nan 0.000 0.281 303 P C 0.451 177.775 177.300 0.040 0.000 1.252 303 P CA -0.113 62.917 63.100 -0.116 0.000 0.778 303 P CB 1.421 33.014 31.700 -0.180 0.000 0.895 304 T N 1.291 115.935 114.554 0.149 0.000 2.778 304 T HA -0.173 4.181 4.350 0.007 0.000 0.269 304 T C 0.996 175.733 174.700 0.061 0.000 1.050 304 T CA 1.745 63.943 62.100 0.162 0.000 1.137 304 T CB -0.662 68.324 68.868 0.197 0.000 0.860 304 T HN 0.293 nan 8.240 nan 0.000 0.468 305 D N 0.128 120.526 120.400 -0.004 0.000 2.371 305 D HA 0.044 4.688 4.640 0.007 0.000 0.221 305 D C 1.476 177.779 176.300 0.005 0.000 0.986 305 D CA 0.533 54.514 54.000 -0.031 0.000 0.899 305 D CB 0.021 40.786 40.800 -0.059 0.000 0.902 305 D HN 0.395 nan 8.370 nan 0.000 0.530 306 M N -0.238 119.379 119.600 0.027 0.000 2.382 306 M HA 0.051 4.535 4.480 0.007 0.000 0.247 306 M C 1.709 178.234 176.300 0.375 0.000 1.104 306 M CA 0.175 55.551 55.300 0.127 0.000 1.030 306 M CB 0.093 32.625 32.600 -0.114 0.000 1.424 306 M HN 0.021 nan 8.290 nan 0.000 0.486 307 Q N 1.177 121.187 119.800 0.349 0.000 2.002 307 Q HA -0.158 4.186 4.340 0.007 0.000 0.204 307 Q C 1.802 177.974 176.000 0.288 0.000 0.988 307 Q CA 2.374 58.388 55.803 0.351 0.000 0.843 307 Q CB -0.050 28.828 28.738 0.233 0.000 0.908 307 Q HN 0.431 nan 8.270 nan 0.000 0.420 308 A N 0.618 123.504 122.820 0.109 0.000 1.917 308 A HA -0.283 4.041 4.320 0.007 0.000 0.219 308 A C 2.007 179.628 177.584 0.062 0.000 1.182 308 A CA 2.086 54.058 52.037 -0.109 0.000 0.633 308 A CB -0.630 18.033 19.000 -0.561 0.000 0.819 308 A HN 0.560 nan 8.150 nan 0.000 0.448 309 Q N -1.552 118.315 119.800 0.111 0.000 2.079 309 Q HA -0.024 4.320 4.340 0.007 0.000 0.200 309 Q C 1.675 177.752 176.000 0.128 0.000 0.974 309 Q CA 1.583 57.446 55.803 0.100 0.000 0.840 309 Q CB -0.366 28.432 28.738 0.100 0.000 0.898 309 Q HN 0.697 nan 8.270 nan 0.000 0.430 310 F N -0.142 119.899 119.950 0.152 0.000 2.367 310 F HA -0.072 4.461 4.527 0.009 0.000 0.298 310 F C 2.154 178.016 175.800 0.103 0.000 1.094 310 F CA 0.996 59.081 58.000 0.143 0.000 1.409 310 F CB -0.116 39.002 39.000 0.197 0.000 1.064 310 F HN 0.010 nan 8.300 nan 0.000 0.528 311 T N 0.470 115.205 114.554 0.301 0.000 2.737 311 T HA -0.177 4.177 4.350 0.007 0.000 0.265 311 T C 2.016 176.809 174.700 0.155 0.000 1.038 311 T CA 1.347 63.590 62.100 0.239 0.000 1.144 311 T CB -0.477 68.612 68.868 0.368 0.000 0.866 311 T HN 0.144 nan 8.240 nan 0.000 0.434 312 L N 1.203 122.515 121.223 0.148 0.000 2.017 312 L HA 0.070 4.414 4.340 0.007 0.000 0.208 312 L C 2.214 179.090 176.870 0.009 0.000 1.073 312 L CA 1.529 56.412 54.840 0.070 0.000 0.745 312 L CB -0.819 41.267 42.059 0.046 0.000 0.894 312 L HN 0.260 nan 8.230 nan 0.000 0.432 313 L N -0.316 120.883 121.223 -0.040 0.000 2.012 313 L HA -0.273 4.071 4.340 0.007 0.000 0.210 313 L C 2.251 179.105 176.870 -0.026 0.000 1.073 313 L CA 1.847 56.633 54.840 -0.091 0.000 0.748 313 L CB -0.571 41.327 42.059 -0.268 0.000 0.891 313 L HN 0.398 nan 8.230 nan 0.000 0.431 314 N N -0.029 118.682 118.700 0.019 0.000 2.166 314 N HA -0.167 4.577 4.740 0.007 0.000 0.186 314 N C 1.797 177.309 175.510 0.003 0.000 1.019 314 N CA 1.414 54.476 53.050 0.021 0.000 0.856 314 N CB -0.378 38.123 38.487 0.024 0.000 0.993 314 N HN 0.390 nan 8.380 nan 0.000 0.426 315 L N 0.315 121.539 121.223 0.002 0.000 2.362 315 L HA -0.029 4.315 4.340 0.007 0.000 0.219 315 L C 1.483 178.342 176.870 -0.018 0.000 1.134 315 L CA 0.544 55.379 54.840 -0.009 0.000 0.807 315 L CB -0.039 42.016 42.059 -0.007 0.000 0.927 315 L HN 0.087 nan 8.230 nan 0.000 0.447 316 V N -5.098 114.807 119.914 -0.015 0.000 3.346 316 V HA 0.507 4.631 4.120 0.007 0.000 0.309 316 V C 0.845 176.934 176.094 -0.008 0.000 1.457 316 V CA -0.149 62.140 62.300 -0.018 0.000 1.069 316 V CB -0.254 31.555 31.823 -0.023 0.000 0.944 316 V HN 0.099 nan 8.190 nan 0.000 0.449 317 A N 0.376 123.196 122.820 0.000 0.000 2.240 317 A HA 0.629 4.953 4.320 0.007 0.000 0.292 317 A C 0.122 177.719 177.584 0.021 0.000 1.121 317 A CA -0.572 51.470 52.037 0.009 0.000 0.851 317 A CB 0.307 19.315 19.000 0.015 0.000 1.167 317 A HN 0.510 nan 8.150 nan 0.000 0.503 318 E N -0.120 120.095 120.200 0.025 0.000 2.070 318 E HA 0.446 4.800 4.350 0.007 0.000 0.282 318 E C 0.438 177.061 176.600 0.039 0.000 1.104 318 E CA 0.822 57.240 56.400 0.032 0.000 0.876 318 E CB 0.371 30.088 29.700 0.029 0.000 1.055 318 E HN 1.169 nan 8.360 nan 0.000 0.401 319 G N 2.463 111.294 108.800 0.051 0.000 2.409 319 G HA2 -0.154 3.810 3.960 0.007 0.000 0.421 319 G HA3 -0.154 3.810 3.960 0.007 0.000 0.421 319 G C -0.576 174.368 174.900 0.074 0.000 1.259 319 G CA -0.960 44.176 45.100 0.060 0.000 1.011 319 G HN 0.382 nan 8.290 nan 0.000 0.497 320 T N 0.332 114.929 114.554 0.072 0.000 2.829 320 T HA 0.777 5.131 4.350 0.007 0.000 0.280 320 T C 0.356 175.054 174.700 -0.003 0.000 0.999 320 T CA 0.425 62.556 62.100 0.051 0.000 0.983 320 T CB 1.603 70.552 68.868 0.135 0.000 0.968 320 T HN 1.866 nan 8.240 nan 0.000 0.446 321 G N 1.009 109.773 108.800 -0.059 0.000 2.733 321 G HA2 0.616 4.580 3.960 0.007 0.000 0.297 321 G HA3 0.616 4.580 3.960 0.007 0.000 0.297 321 G C -1.045 173.800 174.900 -0.091 0.000 1.422 321 G CA -0.688 44.384 45.100 -0.046 0.000 0.942 321 G HN 0.862 nan 8.290 nan 0.000 0.510 322 V N -0.350 119.516 119.914 -0.079 0.000 2.581 322 V HA 0.810 4.934 4.120 0.007 0.000 0.303 322 V C -0.515 175.534 176.094 -0.075 0.000 1.041 322 V CA -1.188 61.054 62.300 -0.098 0.000 0.907 322 V CB 1.727 33.497 31.823 -0.089 0.000 0.994 322 V HN 0.602 nan 8.190 nan 0.000 0.442 323 I N 3.186 123.716 120.570 -0.067 0.000 2.389 323 I HA 0.500 4.674 4.170 0.007 0.000 0.288 323 I C 0.013 176.168 176.117 0.064 0.000 0.999 323 I CA -0.029 61.271 61.300 -0.001 0.000 1.129 323 I CB 1.428 39.499 38.000 0.118 0.000 1.288 323 I HN 0.745 nan 8.210 nan 0.000 0.444 324 T N 5.167 119.759 114.554 0.064 0.000 2.797 324 T HA 0.292 4.646 4.350 0.007 0.000 0.279 324 T C 0.033 174.839 174.700 0.176 0.000 0.991 324 T CA -0.607 61.572 62.100 0.132 0.000 0.979 324 T CB 1.814 70.708 68.868 0.043 0.000 0.943 324 T HN 0.327 nan 8.240 nan 0.000 0.444 325 E N 2.657 123.019 120.200 0.270 0.000 2.044 325 E HA 0.131 4.484 4.350 0.007 0.000 0.282 325 E C 1.127 177.780 176.600 0.088 0.000 1.031 325 E CA -0.074 56.425 56.400 0.164 0.000 0.824 325 E CB 1.273 31.033 29.700 0.100 0.000 1.076 325 E HN 0.837 nan 8.360 nan 0.000 0.395 326 T N 0.143 114.718 114.554 0.036 0.000 3.055 326 T HA 0.005 4.359 4.350 0.007 0.000 0.265 326 T C 1.401 176.036 174.700 -0.108 0.000 1.111 326 T CA 0.412 62.500 62.100 -0.020 0.000 1.118 326 T CB 0.204 69.058 68.868 -0.023 0.000 0.909 326 T HN 0.269 nan 8.240 nan 0.000 0.501 327 I N -1.110 119.324 120.570 -0.227 0.000 3.673 327 I HA 0.376 4.550 4.170 0.007 0.000 0.281 327 I C 0.045 175.814 176.117 -0.580 0.000 1.182 327 I CA -0.220 60.770 61.300 -0.517 0.000 1.391 327 I CB -0.647 36.791 38.000 -0.937 0.000 1.383 327 I HN 0.152 nan 8.210 nan 0.000 0.456 328 F N 2.504 122.452 119.950 -0.002 0.000 2.384 328 F HA 0.366 4.897 4.527 0.008 0.000 0.338 328 F C 0.769 176.547 175.800 -0.035 0.000 1.103 328 F CA -0.534 57.451 58.000 -0.024 0.000 1.157 328 F CB 0.461 39.434 39.000 -0.046 0.000 1.167 328 F HN -0.051 nan 8.300 nan 0.000 0.529 329 E N 0.302 120.603 120.200 0.168 0.000 2.222 329 E HA 0.263 4.617 4.350 0.007 0.000 0.267 329 E C -0.233 176.400 176.600 0.056 0.000 0.963 329 E CA -0.908 55.548 56.400 0.093 0.000 0.837 329 E CB 0.763 30.511 29.700 0.079 0.000 1.183 329 E HN 0.559 nan 8.360 nan 0.000 0.403 330 N N 1.101 119.828 118.700 0.044 0.000 2.740 330 N HA -0.192 4.551 4.740 0.007 0.000 0.248 330 N C -0.567 174.911 175.510 -0.054 0.000 1.062 330 N CA 0.365 53.433 53.050 0.030 0.000 0.704 330 N CB -0.350 38.160 38.487 0.039 0.000 0.968 330 N HN 0.443 nan 8.380 nan 0.000 0.547 331 R N -0.209 120.147 120.500 -0.241 0.000 2.427 331 R HA 0.176 4.520 4.340 0.007 0.000 0.262 331 R C 0.079 176.120 176.300 -0.432 0.000 0.943 331 R CA 0.167 56.043 56.100 -0.373 0.000 1.081 331 R CB -0.099 29.919 30.300 -0.469 0.000 1.166 331 R HN 0.287 nan 8.270 nan 0.000 0.534 332 F N -0.208 119.798 119.950 0.093 0.000 2.855 332 F HA 0.328 4.858 4.527 0.006 0.000 0.317 332 F C 1.578 177.340 175.800 -0.064 0.000 1.169 332 F CA -0.245 57.758 58.000 0.005 0.000 1.299 332 F CB 0.063 39.037 39.000 -0.043 0.000 0.962 332 F HN -0.175 nan 8.300 nan 0.000 0.506 333 M N -0.643 119.044 119.600 0.146 0.000 2.460 333 M HA -0.125 4.359 4.480 0.007 0.000 0.263 333 M C 1.846 178.204 176.300 0.096 0.000 1.071 333 M CA 1.412 56.769 55.300 0.095 0.000 1.096 333 M CB -0.757 31.884 32.600 0.069 0.000 1.408 333 M HN 0.456 nan 8.290 nan 0.000 0.463 334 H N -1.359 117.744 119.070 0.054 0.000 2.548 334 H HA 0.098 4.658 4.556 0.006 0.000 0.268 334 H C 1.944 177.310 175.328 0.065 0.000 0.975 334 H CA 0.668 56.742 56.048 0.045 0.000 1.195 334 H CB -0.444 29.339 29.762 0.034 0.000 1.397 334 H HN 0.225 nan 8.280 nan 0.000 0.572 335 V N 0.740 120.414 119.914 -0.401 0.000 2.358 335 V HA -0.015 4.109 4.120 0.007 0.000 0.246 335 V C -0.755 175.287 176.094 -0.087 0.000 1.047 335 V CA 1.006 63.146 62.300 -0.266 0.000 1.035 335 V CB -0.913 30.761 31.823 -0.248 0.000 0.658 335 V HN 0.305 nan 8.190 nan 0.000 0.452 336 P HA -0.125 nan 4.420 nan 0.000 0.216 336 P C 1.670 178.975 177.300 0.009 0.000 1.150 336 P CA 1.774 64.872 63.100 -0.004 0.000 0.843 336 P CB -0.100 31.606 31.700 0.010 0.000 0.787 337 E N -0.455 119.757 120.200 0.020 0.000 2.047 337 E HA -0.111 4.243 4.350 0.007 0.000 0.191 337 E C 2.156 178.774 176.600 0.030 0.000 0.987 337 E CA 1.042 57.463 56.400 0.035 0.000 0.799 337 E CB -1.020 28.716 29.700 0.060 0.000 0.752 337 E HN 0.327 nan 8.360 nan 0.000 0.449 338 L N 0.494 121.733 121.223 0.028 0.000 2.093 338 L HA -0.098 4.246 4.340 0.007 0.000 0.208 338 L C 2.547 179.419 176.870 0.003 0.000 1.085 338 L CA 0.693 55.546 54.840 0.022 0.000 0.755 338 L CB -0.308 41.770 42.059 0.030 0.000 0.904 338 L HN 0.058 nan 8.230 nan 0.000 0.435 339 I N -0.545 120.027 120.570 0.003 0.000 2.493 339 I HA -0.236 3.938 4.170 0.007 0.000 0.254 339 I C 2.389 178.518 176.117 0.019 0.000 1.160 339 I CA 1.033 62.343 61.300 0.016 0.000 1.445 339 I CB -0.194 37.823 38.000 0.028 0.000 1.086 339 I HN 0.183 nan 8.210 nan 0.000 0.433 340 R N 0.127 120.638 120.500 0.017 0.000 2.316 340 R HA 0.047 4.391 4.340 0.007 0.000 0.202 340 R C 1.518 177.826 176.300 0.012 0.000 1.029 340 R CA 0.682 56.793 56.100 0.019 0.000 1.018 340 R CB -0.012 30.301 30.300 0.021 0.000 0.888 340 R HN 0.374 nan 8.270 nan 0.000 0.471 341 M N -0.659 118.943 119.600 0.004 0.000 2.419 341 M HA 0.196 4.680 4.480 0.007 0.000 0.252 341 M C 0.496 176.781 176.300 -0.025 0.000 1.143 341 M CA 0.154 55.451 55.300 -0.004 0.000 0.985 341 M CB 1.409 34.009 32.600 0.000 0.000 1.489 341 M HN 0.354 nan 8.290 nan 0.000 0.484 342 G N 0.970 109.752 108.800 -0.030 0.000 2.141 342 G HA2 -0.188 3.776 3.960 0.007 0.000 0.242 342 G HA3 -0.188 3.776 3.960 0.007 0.000 0.242 342 G C 0.125 174.911 174.900 -0.190 0.000 0.982 342 G CA 0.072 45.128 45.100 -0.074 0.000 0.662 342 G HN 0.651 nan 8.290 nan 0.000 0.527 343 A N 0.170 122.908 122.820 -0.136 0.000 2.304 343 A HA 0.693 5.017 4.320 0.007 0.000 0.271 343 A C 0.003 177.529 177.584 -0.096 0.000 1.091 343 A CA -0.241 51.700 52.037 -0.160 0.000 0.812 343 A CB 0.388 19.356 19.000 -0.054 0.000 1.056 343 A HN 0.500 nan 8.150 nan 0.000 0.489 344 H N 0.076 119.173 119.070 0.045 0.000 2.638 344 H HA 0.699 5.260 4.556 0.008 0.000 0.317 344 H C -0.211 175.170 175.328 0.088 0.000 1.006 344 H CA 0.082 56.183 56.048 0.088 0.000 1.222 344 H CB 1.186 31.033 29.762 0.143 0.000 1.419 344 H HN 0.926 nan 8.280 nan 0.000 0.489 345 A N 2.855 125.783 122.820 0.181 0.000 2.604 345 A HA 0.604 4.928 4.320 0.007 0.000 0.295 345 A C -1.059 176.534 177.584 0.015 0.000 1.067 345 A CA -0.825 51.228 52.037 0.028 0.000 0.683 345 A CB 1.774 20.741 19.000 -0.054 0.000 1.281 345 A HN 0.518 nan 8.150 nan 0.000 0.407 346 E N 0.284 120.459 120.200 -0.040 0.000 2.212 346 E HA 0.665 5.019 4.350 0.007 0.000 0.268 346 E C -1.159 175.365 176.600 -0.128 0.000 0.902 346 E CA -0.250 56.127 56.400 -0.040 0.000 0.779 346 E CB 2.131 31.829 29.700 -0.004 0.000 1.172 346 E HN 0.508 nan 8.360 nan 0.000 0.409 347 I N 2.379 122.875 120.570 -0.124 0.000 2.330 347 I HA 0.269 4.443 4.170 0.007 0.000 0.289 347 I C -0.397 175.642 176.117 -0.130 0.000 1.001 347 I CA -0.255 60.924 61.300 -0.202 0.000 1.193 347 I CB 1.047 38.955 38.000 -0.155 0.000 1.345 347 I HN 0.315 nan 8.210 nan 0.000 0.461 348 E N 5.064 125.175 120.200 -0.149 0.000 2.220 348 E HA 0.419 4.773 4.350 0.007 0.000 0.256 348 E C -0.107 176.462 176.600 -0.051 0.000 0.881 348 E CA -0.222 56.134 56.400 -0.073 0.000 0.766 348 E CB 1.913 31.576 29.700 -0.063 0.000 1.187 348 E HN 0.693 nan 8.360 nan 0.000 0.419 349 S N 3.732 119.431 115.700 -0.001 0.000 4.064 349 S HA -0.276 4.198 4.470 0.007 0.000 0.625 349 S C 0.551 175.213 174.600 0.104 0.000 2.010 349 S CA 1.757 59.981 58.200 0.041 0.000 4.186 349 S CB -0.949 62.266 63.200 0.024 0.000 0.211 349 S HN 0.872 nan 8.310 nan 0.000 0.605 350 N N 2.398 121.183 118.700 0.141 0.000 2.378 350 N HA 0.246 4.990 4.740 0.007 0.000 0.243 350 N C -0.059 175.631 175.510 0.300 0.000 1.137 350 N CA 0.818 54.059 53.050 0.318 0.000 0.862 350 N CB -0.245 38.357 38.487 0.191 0.000 1.116 350 N HN 0.962 nan 8.380 nan 0.000 0.499 351 T N -3.808 110.701 114.554 -0.074 0.000 2.916 351 T HA 0.516 4.870 4.350 0.007 0.000 0.305 351 T C -1.008 173.278 174.700 -0.689 0.000 1.119 351 T CA -0.894 61.042 62.100 -0.274 0.000 1.008 351 T CB 1.935 70.732 68.868 -0.119 0.000 1.129 351 T HN -0.069 nan 8.240 nan 0.000 0.480 352 V N 3.818 123.296 119.914 -0.728 0.000 2.487 352 V HA 0.625 4.749 4.120 0.007 0.000 0.298 352 V C -0.799 175.105 176.094 -0.315 0.000 1.028 352 V CA -1.229 60.702 62.300 -0.614 0.000 0.860 352 V CB 0.928 32.349 31.823 -0.671 0.000 0.991 352 V HN 0.963 nan 8.190 nan 0.000 0.427 353 I N 7.170 127.581 120.570 -0.266 0.000 2.301 353 I HA 0.345 4.519 4.170 0.007 0.000 0.292 353 I C -0.222 175.654 176.117 -0.402 0.000 1.046 353 I CA -0.123 61.017 61.300 -0.267 0.000 1.282 353 I CB 0.687 38.578 38.000 -0.182 0.000 1.409 353 I HN 0.538 nan 8.210 nan 0.000 0.484 354 C N 5.096 124.152 119.300 -0.407 0.000 2.319 354 C HA 0.431 4.895 4.460 0.007 0.000 0.335 354 C C -0.010 174.680 174.990 -0.499 0.000 1.274 354 C CA -0.710 58.088 59.018 -0.366 0.000 1.806 354 C CB -0.102 27.550 27.740 -0.147 0.000 2.329 354 C HN 0.646 nan 8.230 nan 0.000 0.524 355 H N 0.459 119.557 119.070 0.048 0.000 2.792 355 H HA 0.447 5.006 4.556 0.006 0.000 0.298 355 H C 0.726 176.095 175.328 0.069 0.000 1.042 355 H CA 0.008 56.096 56.048 0.067 0.000 1.300 355 H CB 0.748 30.568 29.762 0.097 0.000 1.431 355 H HN 0.950 nan 8.280 nan 0.000 0.496 356 G N 2.043 110.909 108.800 0.110 0.000 2.321 356 G HA2 0.264 4.228 3.960 0.007 0.000 0.237 356 G HA3 0.264 4.228 3.960 0.007 0.000 0.237 356 G C 0.223 175.155 174.900 0.052 0.000 1.282 356 G CA -0.148 44.986 45.100 0.057 0.000 0.886 356 G HN 0.515 nan 8.290 nan 0.000 0.528 357 V N 0.463 120.369 119.914 -0.014 0.000 2.769 357 V HA 0.527 4.651 4.120 0.007 0.000 0.312 357 V C 1.053 177.131 176.094 -0.026 0.000 1.058 357 V CA -0.666 61.606 62.300 -0.047 0.000 0.952 357 V CB 1.997 33.722 31.823 -0.164 0.000 1.019 357 V HN 0.848 nan 8.190 nan 0.000 0.445 358 E N 1.978 122.169 120.200 -0.015 0.000 2.107 358 E HA -0.023 4.331 4.350 0.007 0.000 0.191 358 E C 0.460 177.050 176.600 -0.018 0.000 0.982 358 E CA 1.125 57.520 56.400 -0.008 0.000 0.809 358 E CB 0.277 29.978 29.700 0.002 0.000 0.756 358 E HN 0.841 nan 8.360 nan 0.000 0.459 359 K N -0.346 120.037 120.400 -0.027 0.000 2.527 359 K HA 0.410 4.734 4.320 0.007 0.000 0.260 359 K C -0.976 175.601 176.600 -0.039 0.000 0.937 359 K CA -0.742 55.529 56.287 -0.027 0.000 0.826 359 K CB 1.558 34.048 32.500 -0.016 0.000 1.359 359 K HN -0.088 nan 8.250 nan 0.000 0.434 360 L N 0.934 122.137 121.223 -0.032 0.000 2.365 360 L HA 0.498 4.842 4.340 0.007 0.000 0.267 360 L C -0.259 176.599 176.870 -0.020 0.000 1.033 360 L CA -1.048 53.772 54.840 -0.033 0.000 0.802 360 L CB 2.012 44.055 42.059 -0.027 0.000 1.267 360 L HN 0.740 nan 8.230 nan 0.000 0.457 361 S N -0.600 115.091 115.700 -0.016 0.000 2.500 361 S HA 0.531 5.005 4.470 0.007 0.000 0.301 361 S C 0.044 174.643 174.600 -0.001 0.000 1.092 361 S CA -0.725 57.471 58.200 -0.007 0.000 1.030 361 S CB 1.756 64.954 63.200 -0.004 0.000 1.031 361 S HN 0.781 nan 8.310 nan 0.000 0.483 362 G N 1.088 109.889 108.800 0.003 0.000 2.554 362 G HA2 0.508 4.472 3.960 0.007 0.000 0.238 362 G HA3 0.508 4.472 3.960 0.007 0.000 0.238 362 G C -0.228 174.679 174.900 0.012 0.000 1.259 362 G CA 0.104 45.209 45.100 0.008 0.000 0.843 362 G HN 1.018 nan 8.290 nan 0.000 0.582 363 A N 1.296 124.126 122.820 0.017 0.000 2.588 363 A HA 0.700 5.024 4.320 0.007 0.000 0.290 363 A C -0.531 177.069 177.584 0.026 0.000 1.136 363 A CA -0.704 51.345 52.037 0.020 0.000 0.681 363 A CB 1.140 20.152 19.000 0.020 0.000 1.282 363 A HN 0.600 nan 8.150 nan 0.000 0.421 364 Q N 0.727 120.544 119.800 0.027 0.000 2.349 364 Q HA 0.490 4.834 4.340 0.007 0.000 0.254 364 Q C -0.468 175.552 176.000 0.033 0.000 0.980 364 Q CA -0.443 55.379 55.803 0.031 0.000 0.924 364 Q CB 1.255 30.010 28.738 0.028 0.000 1.209 364 Q HN 0.817 nan 8.270 nan 0.000 0.445 365 V N 0.147 120.084 119.914 0.038 0.000 3.001 365 V HA 0.794 4.918 4.120 0.007 0.000 0.314 365 V C -0.683 175.437 176.094 0.043 0.000 1.099 365 V CA -1.019 61.306 62.300 0.041 0.000 0.989 365 V CB 2.548 34.397 31.823 0.044 0.000 1.040 365 V HN 0.723 nan 8.190 nan 0.000 0.434 366 M N 2.533 122.158 119.600 0.043 0.000 2.365 366 M HA 0.824 5.308 4.480 0.007 0.000 0.287 366 M C -1.515 174.805 176.300 0.034 0.000 1.154 366 M CA -0.223 55.101 55.300 0.040 0.000 0.941 366 M CB 1.811 34.439 32.600 0.046 0.000 1.704 366 M HN 1.399 nan 8.290 nan 0.000 0.479 367 A N 2.310 125.136 122.820 0.010 0.000 2.414 367 A HA 0.684 5.008 4.320 0.007 0.000 0.306 367 A C 0.448 177.954 177.584 -0.130 0.000 1.054 367 A CA 0.038 52.060 52.037 -0.025 0.000 0.724 367 A CB 1.198 20.186 19.000 -0.019 0.000 1.267 367 A HN 0.926 nan 8.150 nan 0.000 0.418 368 T N -1.496 112.939 114.554 -0.198 0.000 3.051 368 T HA 0.090 4.443 4.350 0.007 0.000 0.255 368 T C 0.453 174.713 174.700 -0.733 0.000 1.085 368 T CA 0.997 62.805 62.100 -0.486 0.000 1.109 368 T CB -0.424 68.311 68.868 -0.221 0.000 0.921 368 T HN 0.674 nan 8.240 nan 0.000 0.488 369 D N 0.723 120.896 120.400 -0.378 0.000 2.382 369 D HA 0.131 4.775 4.640 0.007 0.000 0.245 369 D C 1.353 177.492 176.300 -0.268 0.000 1.120 369 D CA -0.451 53.370 54.000 -0.298 0.000 0.890 369 D CB 0.591 41.282 40.800 -0.182 0.000 1.201 369 D HN 0.049 nan 8.370 nan 0.000 0.433 370 L N 3.668 124.785 121.223 -0.178 0.000 1.990 370 L HA -0.226 4.118 4.340 0.007 0.000 0.213 370 L C 2.011 178.892 176.870 0.019 0.000 1.072 370 L CA 1.443 56.263 54.840 -0.033 0.000 0.755 370 L CB -0.168 41.898 42.059 0.010 0.000 0.889 370 L HN 0.520 nan 8.230 nan 0.000 0.432 371 R N -0.186 120.304 120.500 -0.018 0.000 2.073 371 R HA -0.033 4.311 4.340 0.007 0.000 0.229 371 R C 2.141 178.371 176.300 -0.116 0.000 1.120 371 R CA 1.331 57.424 56.100 -0.011 0.000 0.967 371 R CB -1.059 29.224 30.300 -0.030 0.000 0.862 371 R HN 0.450 nan 8.270 nan 0.000 0.436 372 A N 0.518 123.222 122.820 -0.194 0.000 1.929 372 A HA -0.117 4.207 4.320 0.007 0.000 0.216 372 A C 2.396 179.886 177.584 -0.155 0.000 1.176 372 A CA 1.746 53.594 52.037 -0.315 0.000 0.628 372 A CB -0.552 18.265 19.000 -0.303 0.000 0.816 372 A HN 0.329 nan 8.150 nan 0.000 0.444 373 S N -0.181 115.454 115.700 -0.108 0.000 2.356 373 S HA -0.058 4.416 4.470 0.007 0.000 0.223 373 S C 2.187 176.754 174.600 -0.056 0.000 1.032 373 S CA 1.605 59.769 58.200 -0.060 0.000 1.005 373 S CB -0.476 62.691 63.200 -0.055 0.000 0.867 373 S HN 0.813 nan 8.310 nan 0.000 0.449 374 A N 1.048 123.814 122.820 -0.089 0.000 1.972 374 A HA -0.058 4.266 4.320 0.007 0.000 0.219 374 A C 2.445 179.934 177.584 -0.158 0.000 1.169 374 A CA 2.174 54.096 52.037 -0.191 0.000 0.635 374 A CB -1.218 17.570 19.000 -0.353 0.000 0.810 374 A HN 0.794 nan 8.150 nan 0.000 0.446 375 S N -0.163 115.465 115.700 -0.119 0.000 2.383 375 S HA -0.082 4.392 4.470 0.007 0.000 0.227 375 S C 1.902 176.478 174.600 -0.041 0.000 1.026 375 S CA 1.352 59.499 58.200 -0.089 0.000 0.981 375 S CB -0.601 62.538 63.200 -0.101 0.000 0.818 375 S HN 0.472 nan 8.310 nan 0.000 0.472 376 L N 0.891 122.102 121.223 -0.020 0.000 2.141 376 L HA -0.010 4.334 4.340 0.007 0.000 0.209 376 L C 2.674 179.549 176.870 0.009 0.000 1.094 376 L CA 0.791 55.641 54.840 0.016 0.000 0.763 376 L CB -0.513 41.567 42.059 0.035 0.000 0.908 376 L HN 0.266 nan 8.230 nan 0.000 0.437 377 V N -0.422 119.490 119.914 -0.003 0.000 2.358 377 V HA -0.268 3.856 4.120 0.007 0.000 0.246 377 V C 2.386 178.449 176.094 -0.052 0.000 1.047 377 V CA 1.242 63.538 62.300 -0.005 0.000 1.035 377 V CB -0.284 31.535 31.823 -0.007 0.000 0.658 377 V HN 0.241 nan 8.190 nan 0.000 0.452 378 L N 0.444 121.620 121.223 -0.078 0.000 2.042 378 L HA -0.131 4.213 4.340 0.007 0.000 0.210 378 L C 2.570 179.412 176.870 -0.047 0.000 1.076 378 L CA 2.318 57.110 54.840 -0.080 0.000 0.749 378 L CB -1.297 40.702 42.059 -0.100 0.000 0.893 378 L HN 0.303 nan 8.230 nan 0.000 0.432 379 A N -0.826 121.977 122.820 -0.028 0.000 1.877 379 A HA -0.090 4.234 4.320 0.007 0.000 0.216 379 A C 2.416 179.994 177.584 -0.011 0.000 1.186 379 A CA 1.565 53.595 52.037 -0.012 0.000 0.620 379 A CB -1.386 17.619 19.000 0.009 0.000 0.822 379 A HN 0.442 nan 8.150 nan 0.000 0.443 380 G N -0.817 107.979 108.800 -0.007 0.000 2.469 380 G HA2 -0.303 3.661 3.960 0.007 0.000 0.220 380 G HA3 -0.303 3.661 3.960 0.007 0.000 0.220 380 G C 1.516 176.405 174.900 -0.017 0.000 1.136 380 G CA 1.371 46.468 45.100 -0.005 0.000 0.759 380 G HN 0.539 nan 8.290 nan 0.000 0.562 381 C N 0.532 119.814 119.300 -0.030 0.000 2.432 381 C HA 0.078 4.542 4.460 0.007 0.000 0.280 381 C C 2.652 177.628 174.990 -0.024 0.000 1.353 381 C CA 0.811 59.810 59.018 -0.033 0.000 1.766 381 C CB -0.961 26.755 27.740 -0.040 0.000 1.924 381 C HN 0.678 nan 8.230 nan 0.000 0.509 382 I N -1.102 119.455 120.570 -0.022 0.000 3.854 382 I HA 0.374 4.548 4.170 0.007 0.000 0.312 382 I C 1.168 177.275 176.117 -0.016 0.000 1.273 382 I CA 0.003 61.292 61.300 -0.019 0.000 1.298 382 I CB -0.406 37.581 38.000 -0.022 0.000 1.071 382 I HN 0.032 nan 8.210 nan 0.000 0.428 383 A N 2.013 124.824 122.820 -0.014 0.000 2.366 383 A HA 0.264 4.588 4.320 0.007 0.000 0.249 383 A C 0.125 177.704 177.584 -0.009 0.000 1.084 383 A CA -0.207 51.823 52.037 -0.011 0.000 0.794 383 A CB 0.123 19.119 19.000 -0.007 0.000 1.034 383 A HN 0.318 nan 8.150 nan 0.000 0.491 384 E N 0.589 120.785 120.200 -0.007 0.000 2.217 384 E HA 0.444 4.798 4.350 0.007 0.000 0.279 384 E C 0.833 177.432 176.600 -0.002 0.000 1.068 384 E CA 1.295 57.692 56.400 -0.005 0.000 0.882 384 E CB 0.500 30.198 29.700 -0.004 0.000 1.039 384 E HN 1.330 nan 8.360 nan 0.000 0.418 385 G N 3.219 112.018 108.800 -0.001 0.000 2.512 385 G HA2 -0.198 3.766 3.960 0.007 0.000 0.210 385 G HA3 -0.198 3.766 3.960 0.007 0.000 0.210 385 G C -0.532 174.370 174.900 0.003 0.000 1.295 385 G CA -0.537 44.564 45.100 0.002 0.000 0.934 385 G HN 0.454 nan 8.290 nan 0.000 0.554 386 T N 1.361 115.919 114.554 0.007 0.000 2.771 386 T HA 0.672 5.026 4.350 0.007 0.000 0.281 386 T C -0.062 174.648 174.700 0.017 0.000 0.982 386 T CA 0.279 62.386 62.100 0.012 0.000 0.978 386 T CB 1.472 70.349 68.868 0.014 0.000 0.930 386 T HN 0.753 nan 8.240 nan 0.000 0.447 387 T N 2.801 117.367 114.554 0.021 0.000 2.797 387 T HA 0.531 4.885 4.350 0.007 0.000 0.279 387 T C -0.342 174.386 174.700 0.045 0.000 0.991 387 T CA -0.561 61.556 62.100 0.029 0.000 0.979 387 T CB 1.186 70.069 68.868 0.025 0.000 0.943 387 T HN 0.320 nan 8.240 nan 0.000 0.444 388 V N 3.997 123.941 119.914 0.049 0.000 2.326 388 V HA 0.338 4.462 4.120 0.007 0.000 0.281 388 V C -0.147 175.986 176.094 0.064 0.000 1.015 388 V CA -0.819 61.518 62.300 0.062 0.000 0.823 388 V CB 1.400 33.253 31.823 0.050 0.000 1.009 388 V HN 0.731 nan 8.190 nan 0.000 0.436 389 V N 3.854 123.821 119.914 0.090 0.000 2.364 389 V HA 0.343 4.467 4.120 0.007 0.000 0.272 389 V C 0.057 176.177 176.094 0.042 0.000 1.036 389 V CA -0.303 62.043 62.300 0.076 0.000 0.880 389 V CB 1.502 33.393 31.823 0.114 0.000 0.991 389 V HN 0.875 nan 8.190 nan 0.000 0.460 390 D N 3.588 124.006 120.400 0.030 0.000 2.340 390 D HA 0.400 5.044 4.640 0.007 0.000 0.251 390 D C 0.566 176.876 176.300 0.017 0.000 1.080 390 D CA -0.492 53.521 54.000 0.021 0.000 0.971 390 D CB 0.667 41.490 40.800 0.037 0.000 1.137 390 D HN 0.499 nan 8.370 nan 0.000 0.475 391 R N 1.396 121.917 120.500 0.035 0.000 3.251 391 R HA -0.167 4.177 4.340 0.007 0.000 0.249 391 R C 0.534 176.770 176.300 -0.107 0.000 0.949 391 R CA -0.125 56.015 56.100 0.068 0.000 0.645 391 R CB -1.514 28.888 30.300 0.170 0.000 1.065 391 R HN 0.401 nan 8.270 nan 0.000 0.452 392 I N 0.612 121.080 120.570 -0.169 0.000 3.176 392 I HA -0.172 4.002 4.170 0.007 0.000 0.275 392 I C 2.157 178.102 176.117 -0.286 0.000 1.298 392 I CA 0.563 61.674 61.300 -0.315 0.000 1.445 392 I CB -0.900 36.726 38.000 -0.624 0.000 1.075 392 I HN 0.431 nan 8.210 nan 0.000 0.482 393 Y N -0.316 119.821 120.300 -0.271 0.000 2.333 393 Y HA -0.216 4.336 4.550 0.004 0.000 0.290 393 Y C 2.351 178.135 175.900 -0.194 0.000 1.144 393 Y CA 1.327 59.280 58.100 -0.246 0.000 1.228 393 Y CB -1.613 36.684 38.460 -0.271 0.000 0.985 393 Y HN 0.295 nan 8.280 nan 0.000 0.542 394 H N 0.416 119.080 119.070 -0.676 0.000 2.321 394 H HA -0.084 4.475 4.556 0.005 0.000 0.300 394 H C 2.136 177.401 175.328 -0.105 0.000 1.087 394 H CA 2.203 58.026 56.048 -0.376 0.000 1.319 394 H CB -0.301 29.214 29.762 -0.411 0.000 1.379 394 H HN 0.354 nan 8.280 nan 0.000 0.501 395 I N 0.832 121.435 120.570 0.055 0.000 2.163 395 I HA -0.275 3.899 4.170 0.007 0.000 0.243 395 I C 1.753 177.979 176.117 0.182 0.000 1.085 395 I CA 1.302 62.699 61.300 0.163 0.000 1.347 395 I CB -0.205 37.850 38.000 0.092 0.000 1.044 395 I HN 0.279 nan 8.210 nan 0.000 0.408 396 D N 0.884 121.335 120.400 0.085 0.000 2.158 396 D HA -0.191 4.453 4.640 0.007 0.000 0.197 396 D C 2.277 178.647 176.300 0.116 0.000 0.995 396 D CA 1.322 55.389 54.000 0.112 0.000 0.846 396 D CB -0.275 40.563 40.800 0.063 0.000 0.941 396 D HN 0.388 nan 8.370 nan 0.000 0.456 397 R N -0.345 120.214 120.500 0.099 0.000 2.240 397 R HA 0.109 4.453 4.340 0.007 0.000 0.203 397 R C 2.082 178.424 176.300 0.069 0.000 1.011 397 R CA 0.912 57.062 56.100 0.083 0.000 1.007 397 R CB 0.110 30.461 30.300 0.085 0.000 0.911 397 R HN 0.127 nan 8.270 nan 0.000 0.468 398 G N -1.186 107.667 108.800 0.089 0.000 2.850 398 G HA2 0.041 4.005 3.960 0.007 0.000 0.211 398 G HA3 0.041 4.005 3.960 0.007 0.000 0.211 398 G C -0.292 174.532 174.900 -0.126 0.000 1.124 398 G CA -0.055 45.039 45.100 -0.010 0.000 0.769 398 G HN 0.063 nan 8.290 nan 0.000 0.535 399 Y N 0.089 120.423 120.300 0.056 0.000 2.391 399 Y HA 0.424 4.981 4.550 0.012 0.000 0.341 399 Y C -0.193 175.764 175.900 0.095 0.000 0.965 399 Y CA -1.338 56.811 58.100 0.081 0.000 1.067 399 Y CB 1.962 40.478 38.460 0.093 0.000 1.199 399 Y HN -0.005 nan 8.280 nan 0.000 0.450 400 E N 4.982 125.322 120.200 0.232 0.000 2.029 400 E HA 0.125 4.479 4.350 0.007 0.000 0.276 400 E C -0.323 176.388 176.600 0.186 0.000 1.163 400 E CA -0.237 56.262 56.400 0.165 0.000 0.909 400 E CB 0.132 29.898 29.700 0.109 0.000 1.046 400 E HN 0.491 nan 8.360 nan 0.000 0.406 401 R N 3.689 124.296 120.500 0.179 0.000 3.059 401 R HA -0.236 4.108 4.340 0.007 0.000 0.251 401 R C 0.789 177.195 176.300 0.176 0.000 0.886 401 R CA 0.437 56.636 56.100 0.165 0.000 0.634 401 R CB -2.070 28.296 30.300 0.110 0.000 1.282 401 R HN 0.811 nan 8.270 nan 0.000 0.487 402 I N 1.327 122.030 120.570 0.222 0.000 2.361 402 I HA -0.274 3.900 4.170 0.007 0.000 0.251 402 I C 2.460 178.613 176.117 0.061 0.000 1.133 402 I CA 1.855 63.267 61.300 0.187 0.000 1.413 402 I CB 0.113 38.127 38.000 0.024 0.000 1.073 402 I HN 0.443 nan 8.210 nan 0.000 0.424 403 E N 0.453 120.635 120.200 -0.031 0.000 2.110 403 E HA -0.281 4.073 4.350 0.007 0.000 0.193 403 E C 1.267 177.823 176.600 -0.073 0.000 0.988 403 E CA 1.590 57.872 56.400 -0.197 0.000 0.804 403 E CB -0.616 28.898 29.700 -0.312 0.000 0.745 403 E HN 0.499 nan 8.360 nan 0.000 0.458 404 D N 1.527 121.926 120.400 -0.003 0.000 2.144 404 D HA -0.067 4.577 4.640 0.007 0.000 0.200 404 D C 1.889 178.175 176.300 -0.023 0.000 0.978 404 D CA 1.102 55.097 54.000 -0.009 0.000 0.833 404 D CB -0.127 40.679 40.800 0.010 0.000 0.961 404 D HN 0.291 nan 8.370 nan 0.000 0.470 405 K N 0.225 120.621 120.400 -0.006 0.000 2.097 405 K HA 0.003 4.327 4.320 0.007 0.000 0.205 405 K C 2.316 178.887 176.600 -0.048 0.000 1.050 405 K CA 0.400 56.635 56.287 -0.087 0.000 0.938 405 K CB -0.072 32.319 32.500 -0.181 0.000 0.718 405 K HN 0.129 nan 8.250 nan 0.000 0.442 406 L N 0.658 121.916 121.223 0.058 0.000 2.017 406 L HA -0.169 4.175 4.340 0.007 0.000 0.208 406 L C 2.714 179.574 176.870 -0.016 0.000 1.073 406 L CA 1.186 56.063 54.840 0.061 0.000 0.745 406 L CB -0.316 41.743 42.059 0.001 0.000 0.894 406 L HN 0.163 nan 8.230 nan 0.000 0.432 407 R N -0.173 120.299 120.500 -0.047 0.000 2.105 407 R HA -0.191 4.153 4.340 0.007 0.000 0.239 407 R C 2.131 178.406 176.300 -0.043 0.000 1.135 407 R CA 1.494 57.563 56.100 -0.051 0.000 0.967 407 R CB -0.275 29.991 30.300 -0.056 0.000 0.861 407 R HN 0.380 nan 8.270 nan 0.000 0.442 408 A N 0.031 122.822 122.820 -0.049 0.000 2.168 408 A HA -0.016 4.308 4.320 0.007 0.000 0.215 408 A C 1.741 179.293 177.584 -0.053 0.000 1.152 408 A CA 0.735 52.739 52.037 -0.054 0.000 0.716 408 A CB -0.037 18.920 19.000 -0.072 0.000 0.794 408 A HN 0.258 nan 8.150 nan 0.000 0.465 409 L N -2.234 118.963 121.223 -0.044 0.000 2.616 409 L HA 0.294 4.638 4.340 0.007 0.000 0.229 409 L C 1.587 178.444 176.870 -0.021 0.000 1.110 409 L CA 0.636 55.458 54.840 -0.030 0.000 0.884 409 L CB 0.362 42.418 42.059 -0.005 0.000 1.115 409 L HN 0.517 nan 8.230 nan 0.000 0.481 410 G N -0.220 108.565 108.800 -0.025 0.000 2.229 410 G HA2 -0.182 3.782 3.960 0.007 0.000 0.189 410 G HA3 -0.182 3.782 3.960 0.007 0.000 0.189 410 G C 0.399 175.282 174.900 -0.027 0.000 1.000 410 G CA -0.186 44.900 45.100 -0.024 0.000 0.663 410 G HN 0.364 nan 8.290 nan 0.000 0.493 411 A N 0.011 122.812 122.820 -0.032 0.000 2.445 411 A HA 0.587 4.911 4.320 0.007 0.000 0.242 411 A C 0.301 177.852 177.584 -0.054 0.000 1.075 411 A CA 0.833 52.842 52.037 -0.046 0.000 0.777 411 A CB 0.178 19.140 19.000 -0.063 0.000 1.013 411 A HN 0.906 nan 8.150 nan 0.000 0.493 412 N N 1.083 119.751 118.700 -0.053 0.000 2.546 412 N HA 0.538 5.282 4.740 0.007 0.000 0.238 412 N C -0.882 174.587 175.510 -0.068 0.000 0.984 412 N CA -0.347 52.673 53.050 -0.048 0.000 0.935 412 N CB 0.389 38.858 38.487 -0.031 0.000 1.122 412 N HN 0.680 nan 8.380 nan 0.000 0.510 413 I N 0.959 121.473 120.570 -0.093 0.000 2.769 413 I HA 0.461 4.635 4.170 0.007 0.000 0.298 413 I C -1.623 174.437 176.117 -0.094 0.000 1.128 413 I CA -0.647 60.572 61.300 -0.136 0.000 1.031 413 I CB 2.058 39.890 38.000 -0.279 0.000 1.235 413 I HN 0.484 nan 8.210 nan 0.000 0.423 414 E N 6.544 126.726 120.200 -0.029 0.000 2.272 414 E HA 0.354 4.708 4.350 0.007 0.000 0.269 414 E C -1.452 175.267 176.600 0.197 0.000 0.877 414 E CA -0.951 55.481 56.400 0.054 0.000 0.755 414 E CB 2.066 31.798 29.700 0.054 0.000 1.192 414 E HN 0.658 nan 8.360 nan 0.000 0.422 415 R N 3.469 124.107 120.500 0.230 0.000 2.297 415 R HA 0.357 4.701 4.340 0.007 0.000 0.308 415 R C -1.368 175.016 176.300 0.139 0.000 1.029 415 R CA -0.369 55.906 56.100 0.292 0.000 0.929 415 R CB 1.082 31.537 30.300 0.259 0.000 1.046 415 R HN 0.237 nan 8.270 nan 0.000 0.461 416 V N 6.790 126.767 119.914 0.104 0.000 2.313 416 V HA 0.154 4.278 4.120 0.007 0.000 0.278 416 V C 0.788 176.900 176.094 0.029 0.000 1.017 416 V CA -0.477 61.858 62.300 0.059 0.000 0.823 416 V CB 1.389 33.248 31.823 0.059 0.000 1.010 416 V HN 0.902 nan 8.190 nan 0.000 0.443 417 K N 3.046 123.460 120.400 0.024 0.000 2.155 417 K HA 0.042 4.366 4.320 0.007 0.000 0.203 417 K C 1.238 177.838 176.600 0.001 0.000 1.052 417 K CA 0.945 57.237 56.287 0.008 0.000 0.948 417 K CB 0.162 32.669 32.500 0.011 0.000 0.728 417 K HN 0.754 nan 8.250 nan 0.000 0.448 418 G N 1.083 109.886 108.800 0.006 0.000 2.580 418 G HA2 0.096 4.060 3.960 0.007 0.000 0.278 418 G HA3 0.096 4.060 3.960 0.007 0.000 0.278 418 G C -0.667 174.236 174.900 0.004 0.000 1.212 418 G CA -0.442 44.660 45.100 0.003 0.000 0.939 418 G HN 0.128 nan 8.290 nan 0.000 0.513 419 E N 0.000 120.202 120.200 0.003 0.000 2.725 419 E HA 0.000 4.354 4.350 0.007 0.000 0.291 419 E CA 0.000 56.404 56.400 0.007 0.000 0.976 419 E CB 0.000 29.702 29.700 0.004 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440