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 3iam_1_3 DATA FIRST_RESID 1 DATA SEQUENCE MVRVKVNDRI VEVPPGTSVM DAVFHAGYDV PLFCSEKHLS PIGACRMCLV DATA SEQUENCE RIGLPXXXXX XXXXXXXXXX XXIQWQPKLA ASCVTAVADG MVVDTLSDVV DATA SEQUENCE REAQAGMVEF TLLNHPLDCP TCDKGGACEL QDRTVEYGLY EKYXXXXXXE DATA SEQUENCE LPVYTRFEFT RRHVDKHHPL SPFVILDRER CIHCKRCVRY FEEVPGDEVL DATA SEQUENCE DFIERGVHTF IGTMDFGLPS GFSGNITDIC PVGALLDLTA RFRARNWEME DATA SEQUENCE ETPTTCALCP VGCGITADTR SGELLRIRAR EVPEVNEIWI CDAGRFGHEW DATA SEQUENCE ADQNRLKTPL VRKEGRLVEA TWEEAFLALK EGLKEARGEE VGLYLAHDAT DATA SEQUENCE LEEGLLASEL AKALKTPHLD FQGRTAAPAS LFPPASLEDL LQADFALVLG DATA SEQUENCE DPTEEAPILH LRLSEFVRDL KPPHRYNHGT PFADLQIKER MPRRTDKMAL DATA SEQUENCE FAPYRAPLMK WAAIHEVHRP GEEREILLAL LGDKEGSEMV AKAKEAWEKA DATA SEQUENCE KNPVLILGAG VLQDTVAAER ARLLAERKGA KVLAMTPAAN ARGLEAMGVL DATA SEQUENCE PGAKGASWDE PGALYAYYGF VPPEEALKGK RFVVMHLSHL HPLAERYAHV DATA SEQUENCE VLPAPTFYEK RGHLVNLEGR VLPLSPAPIE NGEAEGALQV LALLAEALGV DATA SEQUENCE RPPFRLHLEA QKALKARKVP EAMGRLSFRL KELRPKERKG AFYLRPTMWK DATA SEQUENCE AHQAVGKAQE AARAELWAHP ETARAEALPE GAQVAVETPF GRVEARVVHR DATA SEQUENCE EDVPKGHLYL SALGPAAGLR VEGRVLV 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 0.000 176.274 176.300 -0.043 0.000 1.140 1 M CA 0.000 55.263 55.300 -0.061 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 V N 1.618 121.506 119.914 -0.043 0.000 2.481 2 V HA 0.507 4.634 4.120 0.011 0.000 0.286 2 V C -0.156 175.927 176.094 -0.018 0.000 1.042 2 V CA -0.578 61.704 62.300 -0.029 0.000 0.928 2 V CB 1.616 33.422 31.823 -0.028 0.000 0.986 2 V HN 0.749 nan 8.190 nan 0.000 0.462 3 R N 3.405 123.897 120.500 -0.014 0.000 2.296 3 R HA 0.525 4.872 4.340 0.011 0.000 0.327 3 R C -1.073 175.224 176.300 -0.005 0.000 1.137 3 R CA -0.011 56.087 56.100 -0.004 0.000 1.020 3 R CB 0.546 30.842 30.300 -0.007 0.000 1.110 3 R HN 0.601 nan 8.270 nan 0.000 0.499 4 V N 4.377 124.296 119.914 0.009 0.000 2.547 4 V HA 0.332 4.459 4.120 0.011 0.000 0.299 4 V C -0.197 175.908 176.094 0.019 0.000 1.040 4 V CA -0.750 61.554 62.300 0.005 0.000 0.913 4 V CB 1.822 33.651 31.823 0.012 0.000 0.992 4 V HN 0.582 nan 8.190 nan 0.000 0.449 5 K N 3.898 124.297 120.400 -0.001 0.000 2.389 5 K HA 0.506 4.833 4.320 0.011 0.000 0.261 5 K C -0.011 176.585 176.600 -0.006 0.000 1.014 5 K CA -0.435 55.855 56.287 0.006 0.000 0.920 5 K CB 1.444 33.938 32.500 -0.011 0.000 1.149 5 K HN 0.463 nan 8.250 nan 0.000 0.444 6 V N 3.598 123.517 119.914 0.007 0.000 2.263 6 V HA -0.193 3.933 4.120 0.011 0.000 0.188 6 V C 1.730 177.740 176.094 -0.141 0.000 0.949 6 V CA 0.933 63.206 62.300 -0.045 0.000 1.133 6 V CB -0.316 31.511 31.823 0.006 0.000 0.705 6 V HN 0.810 nan 8.190 nan 0.000 0.463 7 N N 0.581 119.063 118.700 -0.363 0.000 2.178 7 N HA -0.065 4.682 4.740 0.011 0.000 0.189 7 N C 1.277 176.676 175.510 -0.184 0.000 1.048 7 N CA 1.892 54.675 53.050 -0.446 0.000 0.855 7 N CB -0.218 37.622 38.487 -1.079 0.000 1.028 7 N HN 0.826 nan 8.380 nan 0.000 0.441 8 D N -1.593 118.745 120.400 -0.103 0.000 2.514 8 D HA 0.097 4.744 4.640 0.011 0.000 0.225 8 D C 0.437 176.779 176.300 0.071 0.000 1.159 8 D CA -0.155 53.856 54.000 0.019 0.000 0.823 8 D CB 0.252 41.086 40.800 0.057 0.000 1.097 8 D HN -0.079 nan 8.370 nan 0.000 0.519 9 R N 0.447 121.020 120.500 0.122 0.000 2.297 9 R HA 0.528 4.874 4.340 0.011 0.000 0.308 9 R C -0.965 175.400 176.300 0.109 0.000 1.029 9 R CA -0.661 55.534 56.100 0.158 0.000 0.929 9 R CB 0.651 31.127 30.300 0.293 0.000 1.046 9 R HN -0.034 nan 8.270 nan 0.000 0.461 10 I N 3.995 124.617 120.570 0.086 0.000 2.428 10 I HA 0.303 4.480 4.170 0.011 0.000 0.296 10 I C -0.617 175.558 176.117 0.096 0.000 0.985 10 I CA -0.372 60.971 61.300 0.072 0.000 1.260 10 I CB 2.028 40.057 38.000 0.048 0.000 1.389 10 I HN 0.245 nan 8.210 nan 0.000 0.484 11 V N 4.400 124.377 119.914 0.105 0.000 2.733 11 V HA 0.374 4.501 4.120 0.011 0.000 0.306 11 V C -0.255 175.905 176.094 0.110 0.000 1.084 11 V CA -1.066 61.327 62.300 0.154 0.000 0.905 11 V CB 1.644 33.628 31.823 0.269 0.000 1.010 11 V HN 0.640 nan 8.190 nan 0.000 0.424 12 E N 1.478 121.740 120.200 0.102 0.000 2.392 12 E HA 0.638 4.995 4.350 0.011 0.000 0.259 12 E C -0.920 175.676 176.600 -0.005 0.000 1.108 12 E CA -0.160 56.265 56.400 0.042 0.000 0.916 12 E CB 2.004 31.726 29.700 0.036 0.000 0.989 12 E HN 0.427 nan 8.360 nan 0.000 0.432 13 V N 2.741 122.618 119.914 -0.061 0.000 3.022 13 V HA 0.162 4.289 4.120 0.011 0.000 0.272 13 V C -2.616 173.392 176.094 -0.144 0.000 1.584 13 V CA -1.502 60.724 62.300 -0.124 0.000 0.974 13 V CB 2.373 34.171 31.823 -0.041 0.000 1.219 13 V HN 0.541 nan 8.190 nan 0.000 0.450 14 P HA 0.246 nan 4.420 nan 0.000 0.270 14 P C -2.268 174.970 177.300 -0.103 0.000 1.223 14 P CA -0.832 62.128 63.100 -0.233 0.000 0.785 14 P CB 0.262 31.716 31.700 -0.410 0.000 0.923 15 P HA -0.141 nan 4.420 nan 0.000 0.216 15 P C 1.189 178.480 177.300 -0.016 0.000 1.153 15 P CA 1.691 64.768 63.100 -0.039 0.000 0.858 15 P CB -0.541 31.137 31.700 -0.037 0.000 0.789 16 G N 0.176 108.969 108.800 -0.010 0.000 3.471 16 G HA2 0.169 4.136 3.960 0.011 0.000 0.254 16 G HA3 0.169 4.136 3.960 0.011 0.000 0.254 16 G C -0.236 174.697 174.900 0.056 0.000 1.199 16 G CA 0.019 45.130 45.100 0.019 0.000 1.683 16 G HN 0.154 nan 8.290 nan 0.000 0.625 17 T N 0.536 115.122 114.554 0.053 0.000 2.823 17 T HA 0.488 4.845 4.350 0.011 0.000 0.279 17 T C 0.548 175.264 174.700 0.027 0.000 0.998 17 T CA -0.456 61.696 62.100 0.085 0.000 0.994 17 T CB 1.660 70.603 68.868 0.124 0.000 0.960 17 T HN 0.372 nan 8.240 nan 0.000 0.448 18 S N 1.580 117.279 115.700 -0.002 0.000 2.585 18 S HA 0.193 4.670 4.470 0.011 0.000 0.273 18 S C 1.420 175.996 174.600 -0.039 0.000 1.339 18 S CA -0.804 57.386 58.200 -0.016 0.000 1.028 18 S CB 0.734 63.929 63.200 -0.008 0.000 0.906 18 S HN 0.398 nan 8.310 nan 0.000 0.528 19 V N 2.725 122.620 119.914 -0.031 0.000 2.759 19 V HA -0.150 3.976 4.120 0.011 0.000 0.256 19 V C 2.316 178.363 176.094 -0.078 0.000 1.080 19 V CA 1.722 63.996 62.300 -0.043 0.000 1.101 19 V CB -1.011 30.791 31.823 -0.035 0.000 0.698 19 V HN 0.892 nan 8.190 nan 0.000 0.477 20 M N -0.185 119.369 119.600 -0.076 0.000 2.074 20 M HA -0.168 4.319 4.480 0.011 0.000 0.259 20 M C 2.016 178.236 176.300 -0.133 0.000 1.079 20 M CA 2.032 57.267 55.300 -0.108 0.000 1.119 20 M CB -0.495 32.110 32.600 0.008 0.000 1.297 20 M HN 0.274 nan 8.290 nan 0.000 0.416 21 D N 0.393 120.720 120.400 -0.123 0.000 2.311 21 D HA -0.096 4.550 4.640 0.011 0.000 0.212 21 D C 1.669 177.891 176.300 -0.129 0.000 0.972 21 D CA 1.158 55.022 54.000 -0.227 0.000 0.887 21 D CB -0.114 40.348 40.800 -0.563 0.000 0.915 21 D HN 0.397 nan 8.370 nan 0.000 0.497 22 A N 0.321 123.091 122.820 -0.084 0.000 1.872 22 A HA -0.096 4.231 4.320 0.011 0.000 0.214 22 A C 2.470 180.086 177.584 0.053 0.000 1.187 22 A CA 0.868 52.915 52.037 0.016 0.000 0.614 22 A CB -0.528 18.468 19.000 -0.006 0.000 0.826 22 A HN 0.156 nan 8.150 nan 0.000 0.442 23 V N -1.319 118.557 119.914 -0.063 0.000 2.548 23 V HA -0.133 3.994 4.120 0.011 0.000 0.249 23 V C 2.193 178.218 176.094 -0.115 0.000 1.055 23 V CA 1.439 63.678 62.300 -0.101 0.000 1.065 23 V CB -0.852 30.825 31.823 -0.243 0.000 0.681 23 V HN 0.515 nan 8.190 nan 0.000 0.462 24 F N -0.087 119.765 119.950 -0.162 0.000 2.293 24 F HA -0.007 4.527 4.527 0.011 0.000 0.297 24 F C 2.367 178.093 175.800 -0.124 0.000 1.089 24 F CA 1.471 59.252 58.000 -0.365 0.000 1.377 24 F CB -0.826 37.526 39.000 -1.080 0.000 1.051 24 F HN 0.254 nan 8.300 nan 0.000 0.511 25 H N -0.166 119.024 119.070 0.200 0.000 2.421 25 H HA -0.033 4.530 4.556 0.011 0.000 0.298 25 H C 2.127 177.576 175.328 0.202 0.000 1.087 25 H CA 1.397 57.639 56.048 0.324 0.000 1.330 25 H CB 0.012 29.975 29.762 0.334 0.000 1.388 25 H HN 0.118 nan 8.280 nan 0.000 0.526 26 A N -1.233 121.715 122.820 0.213 0.000 2.014 26 A HA 0.218 4.545 4.320 0.011 0.000 0.218 26 A C 2.233 179.859 177.584 0.069 0.000 1.163 26 A CA 1.489 53.628 52.037 0.171 0.000 0.652 26 A CB -0.505 18.658 19.000 0.271 0.000 0.808 26 A HN 0.739 nan 8.150 nan 0.000 0.449 27 G N -2.790 106.036 108.800 0.043 0.000 2.796 27 G HA2 -0.179 3.787 3.960 0.011 0.000 0.198 27 G HA3 -0.179 3.787 3.960 0.011 0.000 0.198 27 G C 0.385 175.212 174.900 -0.122 0.000 1.062 27 G CA -0.013 45.028 45.100 -0.098 0.000 0.752 27 G HN 0.381 nan 8.290 nan 0.000 0.487 28 Y N 2.835 123.152 120.300 0.029 0.000 2.227 28 Y HA 0.436 4.992 4.550 0.010 0.000 0.405 28 Y C 1.186 177.059 175.900 -0.046 0.000 1.290 28 Y CA 1.076 59.177 58.100 0.002 0.000 1.892 28 Y CB 0.248 38.689 38.460 -0.031 0.000 1.626 28 Y HN 0.575 nan 8.280 nan 0.000 0.700 29 D N -2.517 117.928 120.400 0.076 0.000 2.725 29 D HA 0.488 5.135 4.640 0.011 0.000 0.292 29 D C -1.850 174.392 176.300 -0.096 0.000 1.288 29 D CA -0.528 53.416 54.000 -0.093 0.000 0.784 29 D CB 1.476 42.479 40.800 0.338 0.000 1.308 29 D HN 0.508 nan 8.370 nan 0.000 0.429 30 V N -0.439 119.398 119.914 -0.129 0.000 3.177 30 V HA 0.464 4.591 4.120 0.011 0.000 0.287 30 V C -2.675 173.212 176.094 -0.344 0.000 1.465 30 V CA -1.317 60.794 62.300 -0.315 0.000 1.020 30 V CB 2.075 33.685 31.823 -0.355 0.000 1.152 30 V HN 0.588 nan 8.190 nan 0.000 0.448 31 P HA 0.193 nan 4.420 nan 0.000 0.273 31 P C -1.284 175.812 177.300 -0.341 0.000 1.237 31 P CA 0.116 62.847 63.100 -0.616 0.000 0.813 31 P CB 0.211 31.521 31.700 -0.649 0.000 0.930 32 L N 0.951 121.904 121.223 -0.449 0.000 3.630 32 L HA 0.158 4.505 4.340 0.011 0.000 0.241 32 L C -1.242 175.477 176.870 -0.251 0.000 0.991 32 L CA 0.145 54.856 54.840 -0.215 0.000 1.324 32 L CB -0.251 41.797 42.059 -0.018 0.000 1.874 32 L HN 0.261 nan 8.230 nan 0.000 0.683 33 F N 1.801 121.772 119.950 0.034 0.000 2.373 33 F HA 0.135 4.667 4.527 0.009 0.000 0.253 33 F C 2.308 178.141 175.800 0.054 0.000 0.954 33 F CA 1.250 59.275 58.000 0.041 0.000 1.136 33 F CB -0.870 38.159 39.000 0.048 0.000 1.342 33 F HN 0.599 nan 8.300 nan 0.000 0.701 34 C N -0.166 119.319 119.300 0.309 0.000 2.411 34 C HA -0.013 4.454 4.460 0.011 0.000 0.279 34 C C 1.475 176.563 174.990 0.165 0.000 1.288 34 C CA -0.398 58.747 59.018 0.211 0.000 1.764 34 C CB -1.697 26.152 27.740 0.182 0.000 1.974 34 C HN 0.240 nan 8.230 nan 0.000 0.498 35 S N 1.444 117.229 115.700 0.142 0.000 2.548 35 S HA 0.510 4.987 4.470 0.011 0.000 0.277 35 S C -0.358 174.299 174.600 0.095 0.000 1.315 35 S CA 0.236 58.510 58.200 0.124 0.000 1.050 35 S CB 0.949 64.226 63.200 0.129 0.000 0.918 35 S HN 0.754 nan 8.310 nan 0.000 0.497 36 E N 1.451 121.714 120.200 0.105 0.000 2.429 36 E HA 0.367 4.724 4.350 0.011 0.000 0.276 36 E C -1.389 175.264 176.600 0.088 0.000 0.953 36 E CA -0.821 55.620 56.400 0.070 0.000 0.787 36 E CB 0.907 30.674 29.700 0.112 0.000 1.307 36 E HN 0.397 nan 8.360 nan 0.000 0.458 37 K N 1.703 122.120 120.400 0.028 0.000 2.350 37 K HA 0.210 4.537 4.320 0.011 0.000 0.279 37 K C -0.444 176.204 176.600 0.079 0.000 1.027 37 K CA 0.238 56.505 56.287 -0.034 0.000 0.969 37 K CB 0.064 32.491 32.500 -0.121 0.000 0.954 37 K HN 0.705 nan 8.250 nan 0.000 0.474 38 H N -1.046 118.138 119.070 0.190 0.000 3.631 38 H HA -0.203 4.360 4.556 0.012 0.000 0.202 38 H C -0.600 174.895 175.328 0.278 0.000 1.029 38 H CA 0.654 56.852 56.048 0.249 0.000 1.208 38 H CB -1.349 28.619 29.762 0.343 0.000 1.124 38 H HN 0.371 nan 8.280 nan 0.000 0.329 39 L N 1.249 122.657 121.223 0.308 0.000 2.334 39 L HA 0.353 4.699 4.340 0.011 0.000 0.276 39 L C 0.542 177.513 176.870 0.169 0.000 1.014 39 L CA -0.634 54.355 54.840 0.248 0.000 0.815 39 L CB 1.626 43.841 42.059 0.260 0.000 1.268 39 L HN 0.254 nan 8.230 nan 0.000 0.428 40 S N 2.936 118.716 115.700 0.134 0.000 2.575 40 S HA 0.119 4.596 4.470 0.011 0.000 0.295 40 S C -2.313 172.351 174.600 0.107 0.000 1.267 40 S CA -0.931 57.331 58.200 0.103 0.000 1.074 40 S CB -0.104 63.145 63.200 0.081 0.000 0.829 40 S HN 0.340 nan 8.310 nan 0.000 0.497 41 P HA 0.483 nan 4.420 nan 0.000 0.281 41 P C -0.661 176.687 177.300 0.080 0.000 1.252 41 P CA -0.453 62.703 63.100 0.095 0.000 0.778 41 P CB 0.585 32.337 31.700 0.088 0.000 0.895 42 I N 0.838 121.459 120.570 0.084 0.000 3.145 42 I HA 0.558 4.735 4.170 0.011 0.000 0.313 42 I C 0.834 176.991 176.117 0.066 0.000 1.122 42 I CA -1.067 60.275 61.300 0.070 0.000 0.987 42 I CB 2.018 40.063 38.000 0.076 0.000 1.236 42 I HN 0.238 nan 8.210 nan 0.000 0.453 43 G N 0.963 109.793 108.800 0.050 0.000 3.963 43 G HA2 0.549 4.516 3.960 0.011 0.000 0.315 43 G HA3 0.549 4.516 3.960 0.011 0.000 0.315 43 G C 0.266 175.191 174.900 0.043 0.000 1.254 43 G CA 0.271 45.397 45.100 0.043 0.000 1.395 43 G HN 0.811 nan 8.290 nan 0.000 0.538 44 A N 0.696 123.553 122.820 0.061 0.000 1.963 44 A HA 0.091 4.417 4.320 0.011 0.000 0.207 44 A C 2.398 180.021 177.584 0.065 0.000 1.243 44 A CA 1.373 53.441 52.037 0.052 0.000 0.728 44 A CB -0.503 18.535 19.000 0.062 0.000 0.895 44 A HN 1.037 nan 8.150 nan 0.000 0.467 45 C N -2.052 117.315 119.300 0.111 0.000 2.464 45 C HA 0.329 4.796 4.460 0.011 0.000 0.278 45 C C 1.227 176.289 174.990 0.121 0.000 1.375 45 C CA 0.154 59.268 59.018 0.160 0.000 1.761 45 C CB -0.970 26.956 27.740 0.311 0.000 1.944 45 C HN 0.564 nan 8.230 nan 0.000 0.509 46 R N -0.127 120.416 120.500 0.072 0.000 3.332 46 R HA -0.164 4.183 4.340 0.011 0.000 0.263 46 R C 0.513 176.820 176.300 0.012 0.000 1.053 46 R CA 1.130 57.252 56.100 0.036 0.000 0.705 46 R CB -1.901 28.422 30.300 0.039 0.000 1.166 46 R HN 0.686 nan 8.270 nan 0.000 0.427 47 M N -1.468 118.117 119.600 -0.025 0.000 2.393 47 M HA 0.026 4.513 4.480 0.011 0.000 0.270 47 M C 1.834 178.032 176.300 -0.170 0.000 1.127 47 M CA 0.694 55.927 55.300 -0.113 0.000 1.104 47 M CB 0.540 33.019 32.600 -0.203 0.000 1.523 47 M HN 0.439 nan 8.290 nan 0.000 0.546 48 C N 1.316 120.541 119.300 -0.125 0.000 2.454 48 C HA 0.442 4.909 4.460 0.011 0.000 0.321 48 C C 0.919 175.841 174.990 -0.113 0.000 1.299 48 C CA -1.183 57.753 59.018 -0.137 0.000 1.683 48 C CB -2.277 25.413 27.740 -0.084 0.000 1.772 48 C HN 0.237 nan 8.230 nan 0.000 0.596 49 L N 2.022 123.186 121.223 -0.099 0.000 2.506 49 L HA 0.384 4.731 4.340 0.011 0.000 0.281 49 L C 0.552 177.369 176.870 -0.088 0.000 1.228 49 L CA 0.454 55.248 54.840 -0.075 0.000 0.850 49 L CB 0.250 42.270 42.059 -0.066 0.000 1.110 49 L HN 0.457 nan 8.230 nan 0.000 0.496 50 V N 0.579 120.456 119.914 -0.062 0.000 3.182 50 V HA 0.628 4.755 4.120 0.011 0.000 0.308 50 V C -0.668 175.414 176.094 -0.020 0.000 1.240 50 V CA -1.178 61.089 62.300 -0.056 0.000 1.063 50 V CB 2.017 33.807 31.823 -0.055 0.000 1.076 50 V HN 0.774 nan 8.190 nan 0.000 0.446 51 R N 0.513 121.014 120.500 0.001 0.000 2.540 51 R HA 0.818 5.165 4.340 0.011 0.000 0.287 51 R C -1.319 175.128 176.300 0.245 0.000 0.980 51 R CA -0.719 55.417 56.100 0.061 0.000 0.966 51 R CB 1.428 31.671 30.300 -0.094 0.000 1.106 51 R HN 0.857 nan 8.270 nan 0.000 0.480 52 I N 2.173 122.946 120.570 0.338 0.000 2.569 52 I HA 0.374 4.551 4.170 0.011 0.000 0.290 52 I C -0.124 176.115 176.117 0.203 0.000 1.088 52 I CA -0.840 60.611 61.300 0.253 0.000 1.047 52 I CB 2.367 40.420 38.000 0.089 0.000 1.237 52 I HN 0.751 nan 8.210 nan 0.000 0.421 53 G N 5.270 113.918 108.800 -0.254 0.000 2.452 53 G HA2 0.601 4.568 3.960 0.011 0.000 0.324 53 G HA3 0.601 4.568 3.960 0.011 0.000 0.324 53 G C -0.755 173.922 174.900 -0.370 0.000 1.214 53 G CA -0.185 44.534 45.100 -0.635 0.000 0.947 53 G HN 0.391 nan 8.290 nan 0.000 0.478 54 L N 2.583 123.642 121.223 -0.274 0.000 3.289 54 L HA 0.323 4.670 4.340 0.011 0.000 0.291 54 L C -1.268 175.502 176.870 -0.166 0.000 1.279 54 L CA -1.517 53.217 54.840 -0.177 0.000 1.025 54 L CB 0.038 42.033 42.059 -0.105 0.000 1.413 54 L HN 0.430 nan 8.230 nan 0.000 0.593 74 Q N 3.597 123.237 119.800 -0.267 0.000 2.421 74 Q HA 0.265 4.612 4.340 0.011 0.000 0.242 74 Q C -1.158 174.734 176.000 -0.180 0.000 1.024 74 Q CA -0.459 55.257 55.803 -0.146 0.000 0.891 74 Q CB 1.181 29.872 28.738 -0.078 0.000 1.222 74 Q HN 0.365 nan 8.270 nan 0.000 0.483 75 W N 2.664 123.953 121.300 -0.018 0.000 2.287 75 W HA 0.110 4.779 4.660 0.014 0.000 0.313 75 W C 0.648 177.155 176.519 -0.020 0.000 1.267 75 W CA -0.554 56.778 57.345 -0.021 0.000 1.201 75 W CB 0.687 30.133 29.460 -0.022 0.000 1.196 75 W HN 0.291 nan 8.180 nan 0.000 0.536 76 Q N 3.661 123.592 119.800 0.218 0.000 2.392 76 Q HA -0.009 4.337 4.340 0.011 0.000 0.262 76 Q C -1.323 174.745 176.000 0.114 0.000 1.003 76 Q CA -0.726 55.151 55.803 0.123 0.000 0.888 76 Q CB 0.491 29.282 28.738 0.087 0.000 1.260 76 Q HN 0.288 nan 8.270 nan 0.000 0.435 77 P HA -0.107 nan 4.420 nan 0.000 0.220 77 P C -0.310 177.004 177.300 0.022 0.000 1.152 77 P CA 1.383 64.507 63.100 0.041 0.000 0.812 77 P CB 0.326 32.043 31.700 0.028 0.000 0.792 78 K N -0.638 119.776 120.400 0.022 0.000 2.258 78 K HA 0.517 4.844 4.320 0.011 0.000 0.236 78 K C -0.388 176.217 176.600 0.009 0.000 1.008 78 K CA -1.026 55.265 56.287 0.008 0.000 0.869 78 K CB 1.176 33.679 32.500 0.004 0.000 1.171 78 K HN -0.159 nan 8.250 nan 0.000 0.447 79 L N 1.185 122.404 121.223 -0.007 0.000 2.371 79 L HA 0.364 4.711 4.340 0.011 0.000 0.272 79 L C 0.005 176.872 176.870 -0.006 0.000 1.124 79 L CA -0.673 54.160 54.840 -0.011 0.000 0.816 79 L CB 1.287 43.326 42.059 -0.034 0.000 1.129 79 L HN 0.820 nan 8.230 nan 0.000 0.448 80 A N 2.442 125.260 122.820 -0.003 0.000 2.317 80 A HA 0.730 5.057 4.320 0.011 0.000 0.327 80 A C -0.041 177.534 177.584 -0.016 0.000 1.178 80 A CA -0.587 51.447 52.037 -0.004 0.000 0.817 80 A CB 1.237 20.240 19.000 0.005 0.000 1.189 80 A HN 0.765 nan 8.150 nan 0.000 0.489 81 A N 2.089 124.902 122.820 -0.011 0.000 2.438 81 A HA 0.443 4.770 4.320 0.011 0.000 0.280 81 A C 1.354 178.930 177.584 -0.013 0.000 1.160 81 A CA 0.267 52.296 52.037 -0.014 0.000 0.821 81 A CB -0.348 18.652 19.000 0.000 0.000 1.101 81 A HN 1.747 nan 8.150 nan 0.000 0.515 82 S N 1.492 117.175 115.700 -0.030 0.000 2.447 82 S HA -0.180 4.297 4.470 0.011 0.000 0.233 82 S C 1.665 176.256 174.600 -0.014 0.000 1.006 82 S CA 1.247 59.426 58.200 -0.035 0.000 0.957 82 S CB -1.273 61.883 63.200 -0.074 0.000 0.773 82 S HN 1.326 nan 8.310 nan 0.000 0.507 83 C N 1.008 120.312 119.300 0.007 0.000 2.500 83 C HA 0.433 4.900 4.460 0.011 0.000 0.273 83 C C 1.504 176.517 174.990 0.038 0.000 1.428 83 C CA -0.013 59.028 59.018 0.038 0.000 1.766 83 C CB -1.631 26.148 27.740 0.065 0.000 1.817 83 C HN 0.626 nan 8.230 nan 0.000 0.543 84 V N -2.380 117.549 119.914 0.025 0.000 2.967 84 V HA 0.393 4.520 4.120 0.011 0.000 0.364 84 V C -0.261 175.842 176.094 0.015 0.000 1.373 84 V CA 0.123 62.438 62.300 0.026 0.000 1.193 84 V CB -0.833 31.007 31.823 0.028 0.000 1.236 84 V HN 0.365 nan 8.190 nan 0.000 0.582 85 T N 2.292 116.851 114.554 0.009 0.000 2.840 85 T HA 0.797 5.153 4.350 0.011 0.000 0.287 85 T C 0.210 174.911 174.700 0.001 0.000 0.991 85 T CA 0.241 62.343 62.100 0.003 0.000 0.964 85 T CB 1.616 70.483 68.868 -0.002 0.000 0.954 85 T HN 0.750 nan 8.240 nan 0.000 0.438 86 A N 2.977 125.798 122.820 0.002 0.000 2.401 86 A HA 0.580 4.906 4.320 0.011 0.000 0.259 86 A C 0.784 178.364 177.584 -0.006 0.000 1.103 86 A CA -0.670 51.368 52.037 0.001 0.000 0.789 86 A CB -0.044 18.958 19.000 0.003 0.000 1.035 86 A HN 1.008 nan 8.150 nan 0.000 0.491 87 V N 0.910 120.820 119.914 -0.006 0.000 2.540 87 V HA 0.495 4.622 4.120 0.011 0.000 0.297 87 V C 0.691 176.775 176.094 -0.016 0.000 1.024 87 V CA -0.236 62.057 62.300 -0.012 0.000 1.105 87 V CB -0.545 31.273 31.823 -0.008 0.000 0.938 87 V HN 1.293 nan 8.190 nan 0.000 0.482 88 A N 3.718 126.524 122.820 -0.023 0.000 2.264 88 A HA 0.461 4.788 4.320 0.011 0.000 0.304 88 A C 0.206 177.771 177.584 -0.032 0.000 1.100 88 A CA -0.634 51.386 52.037 -0.028 0.000 0.839 88 A CB 0.629 19.610 19.000 -0.033 0.000 1.121 88 A HN 0.959 nan 8.150 nan 0.000 0.496 89 D N 0.029 120.410 120.400 -0.032 0.000 2.350 89 D HA 0.377 5.023 4.640 0.011 0.000 0.249 89 D C 1.146 177.421 176.300 -0.042 0.000 1.119 89 D CA 1.679 55.659 54.000 -0.033 0.000 0.886 89 D CB 0.769 41.552 40.800 -0.029 0.000 1.195 89 D HN 1.190 nan 8.370 nan 0.000 0.437 90 G N 3.426 112.202 108.800 -0.042 0.000 2.221 90 G HA2 -0.288 3.679 3.960 0.011 0.000 0.265 90 G HA3 -0.288 3.679 3.960 0.011 0.000 0.265 90 G C 0.405 175.259 174.900 -0.077 0.000 1.041 90 G CA 0.621 45.689 45.100 -0.054 0.000 0.807 90 G HN 0.547 nan 8.290 nan 0.000 0.502 91 M N -0.090 119.468 119.600 -0.070 0.000 2.291 91 M HA 0.638 5.125 4.480 0.011 0.000 0.324 91 M C -0.155 176.083 176.300 -0.103 0.000 1.148 91 M CA -0.464 54.782 55.300 -0.090 0.000 1.104 91 M CB 1.404 33.968 32.600 -0.060 0.000 1.483 91 M HN 0.004 nan 8.290 nan 0.000 0.467 92 V N 3.972 123.795 119.914 -0.152 0.000 2.588 92 V HA 0.495 4.622 4.120 0.011 0.000 0.304 92 V C -0.977 175.095 176.094 -0.038 0.000 1.042 92 V CA -0.738 61.477 62.300 -0.141 0.000 0.877 92 V CB 1.965 33.611 31.823 -0.294 0.000 0.996 92 V HN 0.677 nan 8.190 nan 0.000 0.425 93 V N 3.291 123.220 119.914 0.025 0.000 2.409 93 V HA 0.466 4.593 4.120 0.011 0.000 0.291 93 V C -0.671 175.465 176.094 0.070 0.000 1.020 93 V CA -0.592 61.744 62.300 0.060 0.000 0.848 93 V CB 1.817 33.633 31.823 -0.011 0.000 0.990 93 V HN 0.937 nan 8.190 nan 0.000 0.430 94 D N 3.279 123.757 120.400 0.130 0.000 2.349 94 D HA 0.409 5.056 4.640 0.011 0.000 0.232 94 D C 0.850 177.111 176.300 -0.064 0.000 1.071 94 D CA 0.018 54.027 54.000 0.016 0.000 0.832 94 D CB 2.102 42.872 40.800 -0.051 0.000 1.086 94 D HN 0.656 nan 8.370 nan 0.000 0.504 95 T N 0.911 115.403 114.554 -0.102 0.000 3.040 95 T HA 0.175 4.532 4.350 0.011 0.000 0.266 95 T C 1.318 175.988 174.700 -0.049 0.000 1.005 95 T CA -0.117 61.931 62.100 -0.086 0.000 0.906 95 T CB -0.181 68.631 68.868 -0.093 0.000 1.082 95 T HN 0.377 nan 8.240 nan 0.000 0.531 96 L N 0.558 121.745 121.223 -0.061 0.000 2.609 96 L HA 0.398 4.745 4.340 0.011 0.000 0.230 96 L C 1.463 178.319 176.870 -0.024 0.000 1.064 96 L CA -0.276 54.552 54.840 -0.020 0.000 0.873 96 L CB -0.046 42.002 42.059 -0.019 0.000 1.139 96 L HN 0.210 nan 8.230 nan 0.000 0.490 97 S N 0.503 116.161 115.700 -0.070 0.000 2.542 97 S HA -0.146 4.331 4.470 0.011 0.000 0.287 97 S C 1.107 175.681 174.600 -0.044 0.000 1.315 97 S CA -0.216 57.933 58.200 -0.085 0.000 1.037 97 S CB 0.346 63.443 63.200 -0.173 0.000 0.822 97 S HN 0.250 nan 8.310 nan 0.000 0.513 98 D N 2.694 123.084 120.400 -0.017 0.000 2.190 98 D HA -0.125 4.521 4.640 0.011 0.000 0.200 98 D C 1.998 178.267 176.300 -0.051 0.000 0.992 98 D CA 1.266 55.289 54.000 0.039 0.000 0.854 98 D CB -0.222 40.621 40.800 0.072 0.000 0.936 98 D HN 0.399 nan 8.370 nan 0.000 0.462 99 V N 0.890 120.746 119.914 -0.097 0.000 2.332 99 V HA -0.214 3.913 4.120 0.011 0.000 0.248 99 V C 2.647 178.656 176.094 -0.141 0.000 1.055 99 V CA 1.078 63.298 62.300 -0.134 0.000 1.038 99 V CB -0.416 31.317 31.823 -0.151 0.000 0.651 99 V HN 0.055 nan 8.190 nan 0.000 0.450 100 V N -0.603 119.240 119.914 -0.118 0.000 2.255 100 V HA -0.184 3.942 4.120 0.011 0.000 0.243 100 V C 2.579 178.616 176.094 -0.095 0.000 1.038 100 V CA 1.897 64.134 62.300 -0.105 0.000 1.008 100 V CB -0.713 31.057 31.823 -0.088 0.000 0.645 100 V HN 0.387 nan 8.190 nan 0.000 0.449 101 R N -0.164 120.310 120.500 -0.044 0.000 2.096 101 R HA -0.285 4.062 4.340 0.011 0.000 0.240 101 R C 2.405 178.630 176.300 -0.125 0.000 1.139 101 R CA 2.293 58.399 56.100 0.011 0.000 0.952 101 R CB -0.449 29.934 30.300 0.137 0.000 0.854 101 R HN 0.707 nan 8.270 nan 0.000 0.436 102 E N 0.062 120.051 120.200 -0.353 0.000 2.097 102 E HA -0.239 4.118 4.350 0.011 0.000 0.196 102 E C 1.761 178.118 176.600 -0.406 0.000 1.000 102 E CA 1.615 57.577 56.400 -0.731 0.000 0.804 102 E CB -0.076 29.179 29.700 -0.742 0.000 0.740 102 E HN 0.401 nan 8.360 nan 0.000 0.454 103 A N 0.622 123.287 122.820 -0.259 0.000 1.841 103 A HA -0.232 4.095 4.320 0.011 0.000 0.214 103 A C 2.145 179.628 177.584 -0.169 0.000 1.195 103 A CA 1.648 53.570 52.037 -0.192 0.000 0.611 103 A CB -0.729 18.187 19.000 -0.140 0.000 0.835 103 A HN 0.376 nan 8.150 nan 0.000 0.443 104 Q N -0.629 119.089 119.800 -0.137 0.000 2.082 104 Q HA -0.280 4.067 4.340 0.011 0.000 0.211 104 Q C 2.301 178.255 176.000 -0.076 0.000 1.002 104 Q CA 1.962 57.697 55.803 -0.114 0.000 0.868 104 Q CB -0.480 28.212 28.738 -0.076 0.000 0.931 104 Q HN 0.690 nan 8.270 nan 0.000 0.414 105 A N 0.311 123.096 122.820 -0.060 0.000 2.121 105 A HA -0.030 4.297 4.320 0.011 0.000 0.218 105 A C 2.101 179.610 177.584 -0.124 0.000 1.154 105 A CA 1.341 53.359 52.037 -0.031 0.000 0.679 105 A CB -0.585 18.435 19.000 0.033 0.000 0.795 105 A HN 0.499 nan 8.150 nan 0.000 0.458 106 G N -1.486 107.179 108.800 -0.226 0.000 2.453 106 G HA2 0.012 3.978 3.960 0.011 0.000 0.215 106 G HA3 0.012 3.978 3.960 0.011 0.000 0.215 106 G C 1.323 175.947 174.900 -0.459 0.000 1.147 106 G CA 0.904 45.754 45.100 -0.418 0.000 0.802 106 G HN 0.320 nan 8.290 nan 0.000 0.535 107 M N 0.682 120.159 119.600 -0.204 0.000 2.254 107 M HA 0.127 4.614 4.480 0.011 0.000 0.265 107 M C 2.637 178.968 176.300 0.051 0.000 1.066 107 M CA 0.310 55.588 55.300 -0.038 0.000 1.123 107 M CB -0.528 32.068 32.600 -0.005 0.000 1.388 107 M HN 0.068 nan 8.290 nan 0.000 0.425 108 V N -0.038 119.891 119.914 0.025 0.000 2.255 108 V HA -0.298 3.829 4.120 0.011 0.000 0.247 108 V C 2.283 178.414 176.094 0.062 0.000 1.051 108 V CA 2.246 64.601 62.300 0.092 0.000 1.018 108 V CB -0.957 30.915 31.823 0.083 0.000 0.641 108 V HN 0.538 nan 8.190 nan 0.000 0.445 109 E N -0.209 119.975 120.200 -0.027 0.000 2.097 109 E HA -0.253 4.104 4.350 0.011 0.000 0.196 109 E C 2.078 178.731 176.600 0.090 0.000 1.000 109 E CA 1.768 58.156 56.400 -0.019 0.000 0.804 109 E CB -0.180 29.435 29.700 -0.142 0.000 0.740 109 E HN 0.501 nan 8.360 nan 0.000 0.454 110 F N 1.033 120.983 119.950 0.000 0.000 2.259 110 F HA -0.067 4.468 4.527 0.014 0.000 0.298 110 F C 2.498 178.259 175.800 -0.065 0.000 1.088 110 F CA 1.412 59.385 58.000 -0.045 0.000 1.358 110 F CB -0.983 37.994 39.000 -0.040 0.000 1.040 110 F HN 0.073 nan 8.300 nan 0.000 0.505 111 T N 0.805 115.460 114.554 0.168 0.000 2.701 111 T HA -0.141 4.216 4.350 0.011 0.000 0.263 111 T C 2.216 176.920 174.700 0.008 0.000 1.040 111 T CA 1.207 63.340 62.100 0.055 0.000 1.147 111 T CB -0.688 68.210 68.868 0.049 0.000 0.865 111 T HN 0.175 nan 8.240 nan 0.000 0.426 112 L N 0.735 121.975 121.223 0.028 0.000 2.456 112 L HA 0.007 4.354 4.340 0.011 0.000 0.224 112 L C 2.338 179.246 176.870 0.064 0.000 1.148 112 L CA 0.052 54.924 54.840 0.053 0.000 0.825 112 L CB -0.818 41.289 42.059 0.079 0.000 0.937 112 L HN 0.145 nan 8.230 nan 0.000 0.450 113 L N 0.584 121.793 121.223 -0.023 0.000 2.011 113 L HA -0.303 4.044 4.340 0.011 0.000 0.225 113 L C 1.790 178.430 176.870 -0.384 0.000 1.084 113 L CA 1.986 56.652 54.840 -0.290 0.000 0.791 113 L CB -0.566 41.267 42.059 -0.378 0.000 0.898 113 L HN 0.378 nan 8.230 nan 0.000 0.440 114 N N -2.000 116.582 118.700 -0.197 0.000 2.275 114 N HA 0.021 4.768 4.740 0.011 0.000 0.236 114 N C -0.440 175.109 175.510 0.065 0.000 1.154 114 N CA -0.062 52.932 53.050 -0.093 0.000 0.866 114 N CB -0.056 38.361 38.487 -0.117 0.000 1.093 114 N HN 0.403 nan 8.380 nan 0.000 0.515 115 H N 1.584 120.657 119.070 0.006 0.000 2.551 115 H HA 0.179 4.741 4.556 0.010 0.000 0.358 115 H C -1.060 174.316 175.328 0.081 0.000 1.151 115 H CA -1.045 55.031 56.048 0.048 0.000 1.374 115 H CB 1.268 31.059 29.762 0.049 0.000 1.473 115 H HN 0.002 nan 8.280 nan 0.000 0.574 116 P HA -0.103 nan 4.420 nan 0.000 0.214 116 P C -0.209 177.100 177.300 0.014 0.000 1.162 116 P CA 0.789 63.831 63.100 -0.097 0.000 0.879 116 P CB 0.955 32.538 31.700 -0.194 0.000 0.786 117 L N -1.052 120.185 121.223 0.024 0.000 3.658 117 L HA -0.067 4.280 4.340 0.011 0.000 0.418 117 L C -0.313 176.597 176.870 0.066 0.000 1.212 117 L CA 0.271 55.160 54.840 0.081 0.000 0.847 117 L CB -1.844 40.270 42.059 0.091 0.000 2.008 117 L HN -0.065 nan 8.230 nan 0.000 0.626 118 D N -2.242 118.194 120.400 0.059 0.000 2.433 118 D HA 0.207 4.854 4.640 0.011 0.000 0.211 118 D C 1.764 178.113 176.300 0.082 0.000 1.114 118 D CA 0.528 54.567 54.000 0.065 0.000 0.837 118 D CB 0.089 40.927 40.800 0.064 0.000 0.984 118 D HN 0.458 nan 8.370 nan 0.000 0.505 119 C N 2.154 121.515 119.300 0.102 0.000 2.294 119 C HA -0.219 4.247 4.460 0.011 0.000 0.265 119 C C 0.099 175.153 174.990 0.107 0.000 1.115 119 C CA 1.491 60.580 59.018 0.119 0.000 1.809 119 C CB -1.268 26.545 27.740 0.121 0.000 2.010 119 C HN 0.368 nan 8.230 nan 0.000 0.425 120 P HA -0.114 nan 4.420 nan 0.000 0.215 120 P C 1.039 178.363 177.300 0.041 0.000 1.157 120 P CA 2.294 65.437 63.100 0.072 0.000 0.874 120 P CB -0.450 31.277 31.700 0.046 0.000 0.790 121 T N -0.829 113.741 114.554 0.025 0.000 3.268 121 T HA 0.263 4.619 4.350 0.011 0.000 0.244 121 T C -0.367 174.368 174.700 0.058 0.000 0.915 121 T CA -0.591 61.499 62.100 -0.017 0.000 0.935 121 T CB -1.587 67.265 68.868 -0.026 0.000 1.110 121 T HN 0.062 nan 8.240 nan 0.000 0.573 122 C N 1.357 120.713 119.300 0.092 0.000 2.431 122 C HA 0.488 4.955 4.460 0.011 0.000 0.321 122 C C 1.274 176.357 174.990 0.157 0.000 1.202 122 C CA -0.757 58.351 59.018 0.150 0.000 1.398 122 C CB 0.901 28.723 27.740 0.136 0.000 2.047 122 C HN 0.538 nan 8.230 nan 0.000 0.465 123 D N 1.857 122.383 120.400 0.210 0.000 2.309 123 D HA -0.053 4.594 4.640 0.011 0.000 0.212 123 D C 1.465 177.837 176.300 0.119 0.000 0.968 123 D CA 0.977 55.084 54.000 0.179 0.000 0.882 123 D CB 0.183 41.100 40.800 0.194 0.000 0.918 123 D HN 0.476 nan 8.370 nan 0.000 0.503 124 K N 1.112 121.590 120.400 0.129 0.000 2.743 124 K HA 0.061 4.387 4.320 0.011 0.000 0.219 124 K C 1.212 177.894 176.600 0.137 0.000 1.003 124 K CA -0.061 56.300 56.287 0.123 0.000 1.156 124 K CB -0.893 31.686 32.500 0.133 0.000 0.932 124 K HN 0.128 nan 8.250 nan 0.000 0.490 125 G N 0.584 109.460 108.800 0.126 0.000 2.998 125 G HA2 -0.353 3.613 3.960 0.011 0.000 0.855 125 G HA3 -0.353 3.613 3.960 0.011 0.000 0.855 125 G C 0.958 176.036 174.900 0.297 0.000 1.032 125 G CA 0.890 46.097 45.100 0.179 0.000 0.804 125 G HN 0.457 nan 8.290 nan 0.000 0.970 126 G N -0.671 108.374 108.800 0.408 0.000 3.233 126 G HA2 0.499 4.466 3.960 0.011 0.000 0.234 126 G HA3 0.499 4.466 3.960 0.011 0.000 0.234 126 G C 0.958 175.985 174.900 0.212 0.000 1.137 126 G CA 1.088 46.384 45.100 0.327 0.000 0.763 126 G HN 1.370 nan 8.290 nan 0.000 0.549 127 A N 0.115 123.047 122.820 0.187 0.000 2.734 127 A HA 0.414 4.741 4.320 0.011 0.000 0.279 127 A C 0.455 178.106 177.584 0.112 0.000 1.386 127 A CA -0.356 51.758 52.037 0.128 0.000 0.987 127 A CB -0.870 18.192 19.000 0.104 0.000 1.041 127 A HN 0.382 nan 8.150 nan 0.000 0.569 128 C N 0.385 119.760 119.300 0.125 0.000 2.258 128 C HA 0.422 4.889 4.460 0.011 0.000 0.321 128 C C 1.279 176.348 174.990 0.132 0.000 1.168 128 C CA -0.511 58.583 59.018 0.125 0.000 1.531 128 C CB -0.950 26.873 27.740 0.139 0.000 2.095 128 C HN 0.818 nan 8.230 nan 0.000 0.449 129 E N 2.035 122.317 120.200 0.136 0.000 2.169 129 E HA -0.312 4.045 4.350 0.011 0.000 0.202 129 E C 1.612 178.374 176.600 0.269 0.000 1.016 129 E CA 1.722 58.231 56.400 0.182 0.000 0.817 129 E CB -0.029 29.797 29.700 0.210 0.000 0.736 129 E HN 0.838 nan 8.360 nan 0.000 0.462 130 L N 0.924 122.292 121.223 0.241 0.000 2.007 130 L HA -0.182 4.165 4.340 0.011 0.000 0.205 130 L C 2.309 179.287 176.870 0.180 0.000 1.073 130 L CA 1.742 56.729 54.840 0.245 0.000 0.744 130 L CB -0.541 41.507 42.059 -0.020 0.000 0.898 130 L HN 0.046 nan 8.230 nan 0.000 0.435 131 Q N -0.248 119.628 119.800 0.128 0.000 2.045 131 Q HA -0.335 4.012 4.340 0.011 0.000 0.215 131 Q C 1.876 177.948 176.000 0.120 0.000 1.026 131 Q CA 2.653 58.528 55.803 0.120 0.000 0.885 131 Q CB -0.402 28.408 28.738 0.121 0.000 0.984 131 Q HN 0.628 nan 8.270 nan 0.000 0.414 132 D N -0.611 119.863 120.400 0.123 0.000 2.088 132 D HA -0.147 4.500 4.640 0.011 0.000 0.191 132 D C 1.960 178.331 176.300 0.118 0.000 0.992 132 D CA 1.248 55.310 54.000 0.103 0.000 0.831 132 D CB -0.278 40.580 40.800 0.097 0.000 0.973 132 D HN 0.047 nan 8.370 nan 0.000 0.447 133 R N -0.031 120.568 120.500 0.166 0.000 2.133 133 R HA -0.098 4.249 4.340 0.011 0.000 0.247 133 R C 2.290 178.719 176.300 0.216 0.000 1.151 133 R CA 1.558 57.787 56.100 0.214 0.000 0.971 133 R CB -0.781 29.589 30.300 0.118 0.000 0.866 133 R HN 0.173 nan 8.270 nan 0.000 0.447 134 T N -0.752 113.910 114.554 0.180 0.000 2.720 134 T HA -0.135 4.222 4.350 0.011 0.000 0.268 134 T C 1.602 176.367 174.700 0.108 0.000 1.037 134 T CA 1.525 63.715 62.100 0.151 0.000 1.144 134 T CB -0.213 68.735 68.868 0.132 0.000 0.864 134 T HN 0.102 nan 8.240 nan 0.000 0.444 135 V N 0.680 120.640 119.914 0.078 0.000 3.541 135 V HA 0.106 4.233 4.120 0.011 0.000 0.267 135 V C 1.816 177.890 176.094 -0.034 0.000 1.213 135 V CA 1.023 63.343 62.300 0.034 0.000 1.149 135 V CB -0.335 31.508 31.823 0.033 0.000 0.822 135 V HN 0.474 nan 8.190 nan 0.000 0.462 136 E N -1.208 118.953 120.200 -0.064 0.000 2.216 136 E HA 0.020 4.377 4.350 0.011 0.000 0.192 136 E C 0.974 177.224 176.600 -0.583 0.000 0.973 136 E CA 0.953 57.155 56.400 -0.330 0.000 0.851 136 E CB 0.245 29.731 29.700 -0.356 0.000 0.804 136 E HN 0.790 nan 8.360 nan 0.000 0.477 137 Y N -0.979 119.327 120.300 0.011 0.000 2.476 137 Y HA 0.277 4.832 4.550 0.010 0.000 0.261 137 Y C 1.128 177.034 175.900 0.011 0.000 1.077 137 Y CA -0.372 57.730 58.100 0.005 0.000 1.240 137 Y CB 0.755 39.203 38.460 -0.020 0.000 1.317 137 Y HN -0.060 nan 8.280 nan 0.000 0.540 138 G N 0.444 109.325 108.800 0.135 0.000 2.611 138 G HA2 0.349 4.316 3.960 0.011 0.000 0.273 138 G HA3 0.349 4.316 3.960 0.011 0.000 0.273 138 G C 0.100 175.035 174.900 0.058 0.000 1.305 138 G CA -0.370 44.786 45.100 0.094 0.000 1.010 138 G HN 0.317 nan 8.290 nan 0.000 0.509 139 L N -0.677 120.569 121.223 0.039 0.000 3.826 139 L HA -0.184 4.162 4.340 0.011 0.000 0.566 139 L C 0.071 176.943 176.870 0.005 0.000 1.217 139 L CA -0.469 54.366 54.840 -0.009 0.000 0.823 139 L CB -1.373 40.640 42.059 -0.076 0.000 1.381 139 L HN 0.671 nan 8.230 nan 0.000 0.825 140 Y N 2.130 122.378 120.300 -0.088 0.000 2.890 140 Y HA -0.067 4.489 4.550 0.010 0.000 0.341 140 Y C 1.064 176.879 175.900 -0.141 0.000 1.269 140 Y CA 0.606 58.649 58.100 -0.095 0.000 1.517 140 Y CB 0.420 38.826 38.460 -0.090 0.000 1.314 140 Y HN 0.365 nan 8.280 nan 0.000 0.622 141 E N 5.031 124.746 120.200 -0.808 0.000 2.373 141 E HA 0.165 4.522 4.350 0.011 0.000 0.233 141 E C -0.925 174.939 176.600 -1.226 0.000 1.035 141 E CA -0.804 55.093 56.400 -0.838 0.000 0.930 141 E CB -0.110 29.270 29.700 -0.534 0.000 1.278 141 E HN 0.493 nan 8.360 nan 0.000 0.452 142 K N 1.533 121.238 120.400 -1.159 0.000 2.379 142 K HA 0.140 4.467 4.320 0.011 0.000 0.284 142 K C -0.977 175.360 176.600 -0.439 0.000 1.044 142 K CA 0.174 56.057 56.287 -0.673 0.000 0.974 142 K CB 0.496 32.925 32.500 -0.119 0.000 0.962 142 K HN 0.215 nan 8.250 nan 0.000 0.474 151 L N 3.074 124.292 121.223 -0.009 0.000 2.628 151 L HA 0.087 4.434 4.340 0.011 0.000 0.292 151 L C -1.567 175.279 176.870 -0.039 0.000 1.250 151 L CA -0.657 54.179 54.840 -0.007 0.000 0.892 151 L CB -0.102 41.966 42.059 0.016 0.000 1.138 151 L HN 0.401 nan 8.230 nan 0.000 0.502 152 P HA 0.138 nan 4.420 nan 0.000 0.280 152 P C -0.794 176.408 177.300 -0.163 0.000 1.244 152 P CA -0.366 62.629 63.100 -0.174 0.000 0.784 152 P CB 1.358 32.879 31.700 -0.298 0.000 0.913 153 V N 4.881 124.712 119.914 -0.138 0.000 2.368 153 V HA 0.031 4.158 4.120 0.011 0.000 0.266 153 V C 0.968 177.023 176.094 -0.064 0.000 1.045 153 V CA 0.075 62.349 62.300 -0.043 0.000 0.899 153 V CB -0.118 31.702 31.823 -0.006 0.000 1.006 153 V HN 0.504 nan 8.190 nan 0.000 0.470 154 Y N 2.669 122.985 120.300 0.027 0.000 2.243 154 Y HA 0.020 4.567 4.550 -0.004 0.000 0.293 154 Y C 1.695 177.630 175.900 0.058 0.000 1.124 154 Y CA 1.414 59.536 58.100 0.038 0.000 1.159 154 Y CB 0.359 38.841 38.460 0.037 0.000 1.008 154 Y HN 0.552 nan 8.280 nan 0.000 0.527 155 T N 0.006 114.691 114.554 0.219 0.000 2.881 155 T HA 0.314 4.671 4.350 0.011 0.000 0.291 155 T C 0.531 175.325 174.700 0.157 0.000 0.990 155 T CA -0.662 61.551 62.100 0.188 0.000 0.976 155 T CB 0.935 69.921 68.868 0.196 0.000 0.970 155 T HN 0.067 nan 8.240 nan 0.000 0.438 156 R N 2.747 123.351 120.500 0.175 0.000 2.090 156 R HA 0.119 4.466 4.340 0.011 0.000 0.219 156 R C 0.548 176.977 176.300 0.215 0.000 1.100 156 R CA 0.260 56.459 56.100 0.164 0.000 0.991 156 R CB -0.106 30.292 30.300 0.164 0.000 0.893 156 R HN 0.595 nan 8.270 nan 0.000 0.443 157 F N 3.563 123.601 119.950 0.147 0.000 2.578 157 F HA -0.074 4.457 4.527 0.007 0.000 0.381 157 F C 0.500 176.371 175.800 0.118 0.000 1.069 157 F CA 0.221 58.342 58.000 0.202 0.000 1.231 157 F CB 0.396 39.525 39.000 0.215 0.000 1.086 157 F HN 0.087 nan 8.300 nan 0.000 0.564 158 E N 5.490 125.348 120.200 -0.570 0.000 4.170 158 E HA 0.253 4.610 4.350 0.011 0.000 0.215 158 E C -1.412 174.594 176.600 -0.991 0.000 1.119 158 E CA -0.367 55.665 56.400 -0.614 0.000 1.396 158 E CB -0.053 29.363 29.700 -0.473 0.000 1.182 158 E HN 0.390 nan 8.360 nan 0.000 0.438 159 F N -0.010 119.412 119.950 -0.879 0.000 2.691 159 F HA 0.419 4.955 4.527 0.015 0.000 0.334 159 F C 0.629 176.296 175.800 -0.222 0.000 1.107 159 F CA -1.237 56.433 58.000 -0.550 0.000 0.991 159 F CB 1.481 40.096 39.000 -0.643 0.000 1.400 159 F HN -0.223 nan 8.300 nan 0.000 0.503 160 T N 2.054 116.711 114.554 0.173 0.000 2.902 160 T HA 0.224 4.581 4.350 0.011 0.000 0.301 160 T C 0.399 175.212 174.700 0.187 0.000 1.012 160 T CA -0.177 62.016 62.100 0.156 0.000 1.151 160 T CB 0.195 69.142 68.868 0.131 0.000 0.946 160 T HN 0.347 nan 8.240 nan 0.000 0.542 161 R N 1.254 121.777 120.500 0.039 0.000 2.519 161 R HA 0.386 4.733 4.340 0.011 0.000 0.244 161 R C 0.778 176.898 176.300 -0.299 0.000 1.241 161 R CA -0.920 55.180 56.100 0.000 0.000 1.120 161 R CB 0.482 30.820 30.300 0.062 0.000 1.333 161 R HN 0.412 nan 8.270 nan 0.000 0.587 162 R N 1.605 122.001 120.500 -0.173 0.000 2.608 162 R HA 0.084 4.431 4.340 0.011 0.000 0.277 162 R C -0.885 175.358 176.300 -0.094 0.000 1.341 162 R CA -0.062 55.967 56.100 -0.119 0.000 1.199 162 R CB -0.424 29.868 30.300 -0.014 0.000 1.156 162 R HN 0.560 nan 8.270 nan 0.000 0.558 163 H N 1.733 120.843 119.070 0.067 0.000 2.646 163 H HA 0.277 4.839 4.556 0.011 0.000 0.325 163 H C 0.577 175.913 175.328 0.013 0.000 1.075 163 H CA -0.520 55.550 56.048 0.036 0.000 1.421 163 H CB 1.251 31.035 29.762 0.037 0.000 1.461 163 H HN 0.391 nan 8.280 nan 0.000 0.525 164 V N -0.833 119.142 119.914 0.102 0.000 3.157 164 V HA 0.253 4.380 4.120 0.011 0.000 0.312 164 V C -0.535 175.516 176.094 -0.073 0.000 1.502 164 V CA -1.236 61.056 62.300 -0.013 0.000 0.997 164 V CB 1.247 33.038 31.823 -0.053 0.000 1.053 164 V HN 0.605 nan 8.190 nan 0.000 0.482 165 D N 1.031 121.333 120.400 -0.163 0.000 2.458 165 D HA 0.343 4.989 4.640 0.011 0.000 0.243 165 D C -0.348 175.863 176.300 -0.148 0.000 1.146 165 D CA 0.775 54.661 54.000 -0.189 0.000 0.877 165 D CB 0.519 41.152 40.800 -0.279 0.000 1.176 165 D HN 0.754 nan 8.370 nan 0.000 0.461 166 K N 1.393 121.668 120.400 -0.208 0.000 2.443 166 K HA 0.288 4.615 4.320 0.011 0.000 0.251 166 K C -0.851 175.503 176.600 -0.409 0.000 0.972 166 K CA -1.037 55.127 56.287 -0.205 0.000 0.833 166 K CB 0.877 33.295 32.500 -0.136 0.000 1.317 166 K HN 0.775 nan 8.250 nan 0.000 0.441 167 H N -0.430 118.676 119.070 0.059 0.000 2.394 167 H HA -0.246 4.317 4.556 0.011 0.000 0.322 167 H C -1.723 173.641 175.328 0.059 0.000 1.012 167 H CA 1.275 57.350 56.048 0.044 0.000 1.084 167 H CB -2.211 27.564 29.762 0.021 0.000 1.597 167 H HN 0.592 nan 8.280 nan 0.000 0.375 168 H N 2.065 121.148 119.070 0.022 0.000 2.539 168 H HA 0.442 5.005 4.556 0.011 0.000 0.332 168 H C -2.714 172.629 175.328 0.025 0.000 1.031 168 H CA -2.405 53.649 56.048 0.011 0.000 1.206 168 H CB 1.640 31.380 29.762 -0.037 0.000 1.446 168 H HN 0.328 nan 8.280 nan 0.000 0.496 169 P HA 0.006 nan 4.420 nan 0.000 0.276 169 P C 0.547 177.670 177.300 -0.295 0.000 1.264 169 P CA -0.012 62.922 63.100 -0.277 0.000 0.769 169 P CB 1.381 32.929 31.700 -0.254 0.000 0.840 170 L N 1.917 123.124 121.223 -0.025 0.000 2.109 170 L HA -0.050 4.297 4.340 0.011 0.000 0.207 170 L C 1.579 178.462 176.870 0.021 0.000 1.086 170 L CA 1.377 56.266 54.840 0.081 0.000 0.760 170 L CB -0.369 41.775 42.059 0.142 0.000 0.910 170 L HN 0.503 nan 8.230 nan 0.000 0.437 171 S N -2.246 113.429 115.700 -0.041 0.000 2.840 171 S HA 0.414 4.891 4.470 0.011 0.000 0.307 171 S C -2.262 172.191 174.600 -0.245 0.000 1.180 171 S CA -0.919 57.218 58.200 -0.105 0.000 0.846 171 S CB 1.178 64.363 63.200 -0.025 0.000 1.233 171 S HN -0.186 nan 8.310 nan 0.000 0.548 172 P HA 0.192 nan 4.420 nan 0.000 0.237 172 P C 0.333 177.228 177.300 -0.675 0.000 1.178 172 P CA 0.748 63.472 63.100 -0.626 0.000 0.766 172 P CB -0.257 30.883 31.700 -0.935 0.000 0.876 173 F N -1.324 118.422 119.950 -0.340 0.000 2.746 173 F HA 0.190 4.723 4.527 0.011 0.000 0.313 173 F C 0.785 176.265 175.800 -0.534 0.000 1.095 173 F CA -0.309 57.259 58.000 -0.720 0.000 1.224 173 F CB 1.024 39.294 39.000 -1.218 0.000 1.060 173 F HN -0.375 nan 8.300 nan 0.000 0.584 174 V N 1.569 121.438 119.914 -0.075 0.000 2.841 174 V HA 0.434 4.561 4.120 0.011 0.000 0.310 174 V C -1.130 174.974 176.094 0.017 0.000 1.090 174 V CA -1.035 61.286 62.300 0.034 0.000 0.930 174 V CB 3.127 35.032 31.823 0.137 0.000 1.014 174 V HN 0.022 nan 8.190 nan 0.000 0.425 175 I N 4.589 125.184 120.570 0.043 0.000 2.478 175 I HA 0.616 4.792 4.170 0.011 0.000 0.287 175 I C -1.392 174.774 176.117 0.082 0.000 1.042 175 I CA -0.748 60.571 61.300 0.032 0.000 1.067 175 I CB 1.570 39.562 38.000 -0.014 0.000 1.233 175 I HN 0.642 nan 8.210 nan 0.000 0.431 176 L N 7.918 129.212 121.223 0.119 0.000 2.289 176 L HA 0.556 4.902 4.340 0.011 0.000 0.285 176 L C -0.924 176.012 176.870 0.111 0.000 1.049 176 L CA 0.276 55.193 54.840 0.128 0.000 0.804 176 L CB 1.162 43.315 42.059 0.156 0.000 1.195 176 L HN 0.556 nan 8.230 nan 0.000 0.428 177 D N 4.262 124.714 120.400 0.088 0.000 2.464 177 D HA 0.247 4.894 4.640 0.011 0.000 0.243 177 D C 0.776 177.107 176.300 0.051 0.000 1.104 177 D CA -0.287 53.753 54.000 0.067 0.000 0.883 177 D CB 1.103 41.950 40.800 0.077 0.000 1.050 177 D HN 0.653 nan 8.370 nan 0.000 0.524 178 R N 1.700 122.217 120.500 0.028 0.000 2.081 178 R HA -0.092 4.255 4.340 0.011 0.000 0.235 178 R C 1.722 178.049 176.300 0.044 0.000 1.131 178 R CA 1.155 57.275 56.100 0.033 0.000 0.960 178 R CB 0.293 30.581 30.300 -0.020 0.000 0.856 178 R HN 0.511 nan 8.270 nan 0.000 0.436 179 E N 0.068 120.282 120.200 0.024 0.000 2.097 179 E HA -0.233 4.123 4.350 0.011 0.000 0.196 179 E C 2.079 178.679 176.600 -0.000 0.000 1.000 179 E CA 1.291 57.705 56.400 0.023 0.000 0.804 179 E CB 0.030 29.738 29.700 0.015 0.000 0.740 179 E HN 0.279 nan 8.360 nan 0.000 0.454 180 R N 0.115 120.608 120.500 -0.012 0.000 2.090 180 R HA -0.012 4.335 4.340 0.011 0.000 0.228 180 R C 1.329 177.726 176.300 0.160 0.000 1.110 180 R CA 0.242 56.334 56.100 -0.013 0.000 0.973 180 R CB -0.578 29.741 30.300 0.031 0.000 0.869 180 R HN 0.172 nan 8.270 nan 0.000 0.440 181 C N 2.607 121.975 119.300 0.113 0.000 2.211 181 C HA -0.067 4.400 4.460 0.011 0.000 0.393 181 C C 1.804 176.899 174.990 0.176 0.000 1.531 181 C CA -0.030 59.048 59.018 0.100 0.000 1.465 181 C CB -0.784 26.965 27.740 0.015 0.000 2.534 181 C HN 0.569 nan 8.230 nan 0.000 0.592 182 I N 2.231 122.890 120.570 0.149 0.000 3.914 182 I HA 0.351 4.528 4.170 0.011 0.000 0.333 182 I C 0.626 176.927 176.117 0.306 0.000 1.449 182 I CA -0.264 61.141 61.300 0.174 0.000 1.135 182 I CB -0.687 37.222 38.000 -0.150 0.000 1.073 182 I HN 0.903 nan 8.210 nan 0.000 0.401 183 H N -0.050 119.093 119.070 0.122 0.000 3.047 183 H HA -0.188 4.375 4.556 0.011 0.000 0.263 183 H C 0.940 176.376 175.328 0.179 0.000 1.168 183 H CA 0.469 56.636 56.048 0.199 0.000 1.152 183 H CB -2.555 27.212 29.762 0.009 0.000 1.278 183 H HN 0.836 nan 8.280 nan 0.000 0.339 184 C N 0.580 120.016 119.300 0.227 0.000 2.590 184 C HA 0.128 4.595 4.460 0.011 0.000 0.411 184 C C 1.894 177.048 174.990 0.273 0.000 1.420 184 C CA -0.197 58.945 59.018 0.206 0.000 1.643 184 C CB 0.259 28.092 27.740 0.155 0.000 2.528 184 C HN 0.626 nan 8.230 nan 0.000 0.606 185 K N 2.672 123.239 120.400 0.279 0.000 2.632 185 K HA -0.018 4.309 4.320 0.011 0.000 0.196 185 K C 2.041 178.790 176.600 0.249 0.000 1.023 185 K CA 0.262 56.766 56.287 0.363 0.000 1.098 185 K CB -0.181 32.519 32.500 0.332 0.000 0.862 185 K HN 0.818 nan 8.250 nan 0.000 0.504 186 R N -0.140 120.476 120.500 0.194 0.000 2.094 186 R HA -0.230 4.117 4.340 0.011 0.000 0.239 186 R C 2.608 178.995 176.300 0.145 0.000 1.137 186 R CA 2.266 58.462 56.100 0.160 0.000 0.943 186 R CB -0.663 29.713 30.300 0.128 0.000 0.850 186 R HN 0.545 nan 8.270 nan 0.000 0.433 187 C N -0.481 118.873 119.300 0.091 0.000 2.473 187 C HA -0.015 4.451 4.460 0.011 0.000 0.279 187 C C 2.688 177.777 174.990 0.165 0.000 1.250 187 C CA 0.400 59.458 59.018 0.067 0.000 1.713 187 C CB -1.464 26.301 27.740 0.042 0.000 2.066 187 C HN 0.435 nan 8.230 nan 0.000 0.474 188 V N 1.646 121.621 119.914 0.101 0.000 2.287 188 V HA -0.244 3.883 4.120 0.011 0.000 0.248 188 V C 2.829 179.031 176.094 0.180 0.000 1.053 188 V CA 2.630 65.009 62.300 0.133 0.000 1.027 188 V CB -1.195 30.613 31.823 -0.025 0.000 0.646 188 V HN 0.637 nan 8.190 nan 0.000 0.447 189 R N -0.774 119.828 120.500 0.170 0.000 2.091 189 R HA -0.198 4.149 4.340 0.011 0.000 0.238 189 R C 2.346 178.729 176.300 0.138 0.000 1.136 189 R CA 2.204 58.398 56.100 0.157 0.000 0.959 189 R CB -0.721 29.682 30.300 0.172 0.000 0.856 189 R HN 0.799 nan 8.270 nan 0.000 0.437 190 Y N -0.279 120.023 120.300 0.003 0.000 2.163 190 Y HA -0.164 4.393 4.550 0.012 0.000 0.288 190 Y C 1.572 177.394 175.900 -0.129 0.000 1.136 190 Y CA 1.472 59.505 58.100 -0.112 0.000 1.147 190 Y CB -0.408 37.925 38.460 -0.213 0.000 0.987 190 Y HN -0.025 nan 8.280 nan 0.000 0.509 191 F N 1.441 121.346 119.950 -0.076 0.000 2.126 191 F HA -0.178 4.356 4.527 0.011 0.000 0.299 191 F C 2.521 178.216 175.800 -0.175 0.000 1.096 191 F CA 1.969 59.861 58.000 -0.182 0.000 1.255 191 F CB -0.978 38.039 39.000 0.028 0.000 0.997 191 F HN 0.383 nan 8.300 nan 0.000 0.479 192 E N 0.330 120.593 120.200 0.104 0.000 2.047 192 E HA -0.203 4.153 4.350 0.011 0.000 0.191 192 E C 1.800 178.383 176.600 -0.029 0.000 0.987 192 E CA 2.003 58.434 56.400 0.052 0.000 0.799 192 E CB -0.696 29.037 29.700 0.056 0.000 0.752 192 E HN 0.499 nan 8.360 nan 0.000 0.449 193 E N 0.177 120.322 120.200 -0.093 0.000 2.028 193 E HA -0.075 4.281 4.350 0.011 0.000 0.190 193 E C 2.232 178.696 176.600 -0.228 0.000 0.984 193 E CA 1.382 57.702 56.400 -0.133 0.000 0.800 193 E CB 0.083 29.739 29.700 -0.072 0.000 0.758 193 E HN 0.182 nan 8.360 nan 0.000 0.448 194 V N 1.147 120.811 119.914 -0.417 0.000 2.278 194 V HA -0.097 4.030 4.120 0.011 0.000 0.238 194 V C -1.016 174.830 176.094 -0.414 0.000 1.039 194 V CA 1.456 63.431 62.300 -0.543 0.000 1.017 194 V CB -1.328 29.890 31.823 -1.008 0.000 0.657 194 V HN 0.175 nan 8.190 nan 0.000 0.462 195 P HA 0.162 nan 4.420 nan 0.000 0.216 195 P C 0.952 178.436 177.300 0.306 0.000 1.156 195 P CA 1.768 64.791 63.100 -0.130 0.000 0.855 195 P CB 0.031 31.662 31.700 -0.114 0.000 0.786 196 G N -0.867 108.039 108.800 0.175 0.000 2.173 196 G HA2 -0.111 3.856 3.960 0.011 0.000 0.174 196 G HA3 -0.111 3.856 3.960 0.011 0.000 0.174 196 G C -0.878 174.158 174.900 0.226 0.000 1.025 196 G CA -0.474 44.806 45.100 0.300 0.000 0.706 196 G HN 0.226 nan 8.290 nan 0.000 0.499 197 D N 1.061 121.565 120.400 0.173 0.000 2.446 197 D HA 0.282 4.929 4.640 0.011 0.000 0.251 197 D C 0.295 176.557 176.300 -0.064 0.000 1.137 197 D CA -0.375 53.663 54.000 0.063 0.000 0.890 197 D CB 0.891 41.723 40.800 0.052 0.000 1.071 197 D HN 0.472 nan 8.370 nan 0.000 0.528 198 E N 1.098 121.272 120.200 -0.045 0.000 2.053 198 E HA 0.043 4.400 4.350 0.011 0.000 0.297 198 E C 1.346 177.829 176.600 -0.195 0.000 1.173 198 E CA -0.078 56.278 56.400 -0.072 0.000 1.219 198 E CB 0.346 30.035 29.700 -0.017 0.000 1.103 198 E HN 0.269 nan 8.360 nan 0.000 0.476 199 V N -0.428 119.229 119.914 -0.429 0.000 3.578 199 V HA 0.268 4.395 4.120 0.011 0.000 0.290 199 V C 0.030 175.909 176.094 -0.358 0.000 1.376 199 V CA -0.204 61.830 62.300 -0.443 0.000 1.083 199 V CB -0.032 31.436 31.823 -0.592 0.000 0.911 199 V HN 0.204 nan 8.190 nan 0.000 0.433 200 L N 1.103 122.178 121.223 -0.247 0.000 2.482 200 L HA 0.927 5.273 4.340 0.011 0.000 0.263 200 L C -1.487 175.337 176.870 -0.077 0.000 0.957 200 L CA 0.080 54.868 54.840 -0.087 0.000 0.836 200 L CB 2.027 44.153 42.059 0.112 0.000 1.324 200 L HN 0.319 nan 8.230 nan 0.000 0.406 201 D N 1.285 121.597 120.400 -0.146 0.000 2.653 201 D HA 0.385 5.031 4.640 0.011 0.000 0.258 201 D C -1.102 175.044 176.300 -0.257 0.000 1.252 201 D CA -0.296 53.595 54.000 -0.183 0.000 0.777 201 D CB 1.245 42.008 40.800 -0.061 0.000 1.339 201 D HN 0.086 nan 8.370 nan 0.000 0.422 202 F N 1.065 120.982 119.950 -0.055 0.000 2.444 202 F HA 0.238 4.772 4.527 0.011 0.000 0.331 202 F C 1.445 177.114 175.800 -0.218 0.000 1.167 202 F CA -0.214 57.713 58.000 -0.122 0.000 1.262 202 F CB 0.320 39.284 39.000 -0.060 0.000 1.196 202 F HN 0.192 nan 8.300 nan 0.000 0.583 203 I N -0.315 120.144 120.570 -0.185 0.000 5.682 203 I HA 0.171 4.348 4.170 0.011 0.000 0.235 203 I C 0.678 176.667 176.117 -0.213 0.000 0.788 203 I CA -0.271 60.802 61.300 -0.378 0.000 2.300 203 I CB -0.994 36.461 38.000 -0.908 0.000 1.429 203 I HN 0.448 nan 8.210 nan 0.000 0.494 204 E N 1.443 121.503 120.200 -0.233 0.000 2.435 204 E HA 0.128 4.484 4.350 0.011 0.000 0.254 204 E C 0.103 176.707 176.600 0.006 0.000 1.289 204 E CA -0.302 56.076 56.400 -0.037 0.000 0.983 204 E CB 0.435 30.170 29.700 0.059 0.000 1.010 204 E HN 0.336 nan 8.360 nan 0.000 0.509 205 R N -0.551 119.969 120.500 0.034 0.000 2.719 205 R HA 0.653 5.000 4.340 0.011 0.000 0.233 205 R C 0.693 177.013 176.300 0.033 0.000 1.257 205 R CA -0.273 55.836 56.100 0.015 0.000 1.109 205 R CB 0.261 30.558 30.300 -0.005 0.000 1.447 205 R HN 0.641 nan 8.270 nan 0.000 0.537 206 G N -0.380 108.403 108.800 -0.029 0.000 2.550 206 G HA2 -0.346 3.621 3.960 0.011 0.000 0.277 206 G HA3 -0.346 3.621 3.960 0.011 0.000 0.277 206 G C 0.671 175.495 174.900 -0.127 0.000 1.190 206 G CA 0.417 45.472 45.100 -0.075 0.000 0.971 206 G HN 1.067 nan 8.290 nan 0.000 0.559 207 V N -1.649 118.133 119.914 -0.219 0.000 3.510 207 V HA 0.203 4.330 4.120 0.011 0.000 0.270 207 V C 1.663 177.610 176.094 -0.245 0.000 1.201 207 V CA 2.119 64.246 62.300 -0.287 0.000 1.166 207 V CB -0.512 31.083 31.823 -0.379 0.000 0.825 207 V HN 0.674 nan 8.190 nan 0.000 0.484 208 H N 0.707 119.814 119.070 0.062 0.000 2.549 208 H HA 0.238 4.802 4.556 0.012 0.000 0.279 208 H C 1.310 176.776 175.328 0.230 0.000 1.018 208 H CA 0.712 56.838 56.048 0.131 0.000 1.175 208 H CB 0.518 30.343 29.762 0.105 0.000 1.485 208 H HN 0.597 nan 8.280 nan 0.000 0.543 209 T N 0.178 114.902 114.554 0.283 0.000 2.910 209 T HA 0.391 4.748 4.350 0.011 0.000 0.293 209 T C -0.102 174.830 174.700 0.387 0.000 1.015 209 T CA -0.538 61.714 62.100 0.252 0.000 1.094 209 T CB 0.470 69.433 68.868 0.159 0.000 0.968 209 T HN 0.202 nan 8.240 nan 0.000 0.521 210 F N 1.807 121.883 119.950 0.210 0.000 2.715 210 F HA 0.760 5.294 4.527 0.011 0.000 0.318 210 F C -1.329 174.525 175.800 0.091 0.000 1.141 210 F CA -1.786 56.282 58.000 0.114 0.000 0.950 210 F CB 0.953 39.991 39.000 0.064 0.000 1.374 210 F HN 0.363 nan 8.300 nan 0.000 0.477 211 I N 1.312 122.019 120.570 0.229 0.000 2.428 211 I HA 0.730 4.907 4.170 0.011 0.000 0.296 211 I C 0.279 176.485 176.117 0.148 0.000 0.985 211 I CA -0.160 61.136 61.300 -0.006 0.000 1.260 211 I CB 0.942 38.889 38.000 -0.088 0.000 1.389 211 I HN 0.951 nan 8.210 nan 0.000 0.484 212 G N 3.126 111.935 108.800 0.015 0.000 2.601 212 G HA2 0.486 4.453 3.960 0.011 0.000 0.291 212 G HA3 0.486 4.453 3.960 0.011 0.000 0.291 212 G C -1.542 173.341 174.900 -0.027 0.000 1.456 212 G CA -0.310 44.832 45.100 0.071 0.000 0.804 212 G HN 0.520 nan 8.290 nan 0.000 0.499 213 T N -0.325 114.208 114.554 -0.035 0.000 2.906 213 T HA 0.594 4.950 4.350 0.011 0.000 0.295 213 T C 0.275 174.816 174.700 -0.266 0.000 1.075 213 T CA -0.625 61.391 62.100 -0.139 0.000 1.005 213 T CB 1.562 70.358 68.868 -0.119 0.000 1.136 213 T HN 0.333 nan 8.240 nan 0.000 0.498 214 M N 1.911 121.266 119.600 -0.408 0.000 2.300 214 M HA 0.253 4.740 4.480 0.011 0.000 0.313 214 M C -0.241 175.500 176.300 -0.931 0.000 0.988 214 M CA 0.313 55.198 55.300 -0.692 0.000 1.012 214 M CB 0.174 32.568 32.600 -0.344 0.000 1.586 214 M HN 0.573 nan 8.290 nan 0.000 0.562 215 D N -0.162 119.874 120.400 -0.607 0.000 2.427 215 D HA 0.212 4.859 4.640 0.011 0.000 0.224 215 D C 0.696 176.866 176.300 -0.216 0.000 1.157 215 D CA 0.014 53.791 54.000 -0.373 0.000 0.828 215 D CB 0.102 40.774 40.800 -0.214 0.000 0.974 215 D HN 0.094 nan 8.370 nan 0.000 0.498 216 F N 0.463 120.409 119.950 -0.007 0.000 2.168 216 F HA -0.436 4.098 4.527 0.011 0.000 0.206 216 F C 2.580 178.377 175.800 -0.004 0.000 1.313 216 F CA 1.309 59.312 58.000 0.004 0.000 1.985 216 F CB -1.557 37.442 39.000 -0.002 0.000 0.510 216 F HN 0.254 nan 8.300 nan 0.000 0.289 217 G N 0.571 109.488 108.800 0.196 0.000 2.562 217 G HA2 -0.175 3.792 3.960 0.011 0.000 0.223 217 G HA3 -0.175 3.792 3.960 0.011 0.000 0.223 217 G C 0.676 175.621 174.900 0.074 0.000 1.102 217 G CA 0.956 46.111 45.100 0.093 0.000 0.742 217 G HN 0.589 nan 8.290 nan 0.000 0.587 218 L N -0.906 120.350 121.223 0.054 0.000 3.573 218 L HA -0.108 4.239 4.340 0.011 0.000 0.578 218 L C -1.127 175.787 176.870 0.072 0.000 1.299 218 L CA 0.427 55.294 54.840 0.044 0.000 0.914 218 L CB -1.129 40.999 42.059 0.116 0.000 1.563 218 L HN 0.236 nan 8.230 nan 0.000 0.860 219 P HA -0.103 nan 4.420 nan 0.000 0.218 219 P C 1.052 178.402 177.300 0.083 0.000 1.148 219 P CA 1.151 64.280 63.100 0.049 0.000 0.822 219 P CB 0.206 31.909 31.700 0.004 0.000 0.784 220 S N -0.563 115.188 115.700 0.085 0.000 2.563 220 S HA 0.176 4.653 4.470 0.011 0.000 0.284 220 S C 1.427 176.118 174.600 0.152 0.000 1.331 220 S CA 0.040 58.336 58.200 0.160 0.000 1.047 220 S CB 0.010 63.391 63.200 0.302 0.000 0.859 220 S HN 0.200 nan 8.310 nan 0.000 0.514 221 G N 2.562 111.355 108.800 -0.011 0.000 3.327 221 G HA2 0.336 4.303 3.960 0.011 0.000 0.240 221 G HA3 0.336 4.303 3.960 0.011 0.000 0.240 221 G C -0.172 174.328 174.900 -0.668 0.000 1.222 221 G CA -0.190 44.732 45.100 -0.297 0.000 0.871 221 G HN 0.636 nan 8.290 nan 0.000 0.525 222 F N 0.170 120.201 119.950 0.135 0.000 2.671 222 F HA 0.165 4.698 4.527 0.011 0.000 0.384 222 F C 1.661 177.631 175.800 0.283 0.000 1.351 222 F CA -0.435 57.647 58.000 0.136 0.000 1.151 222 F CB 0.365 39.394 39.000 0.048 0.000 1.147 222 F HN 0.126 nan 8.300 nan 0.000 0.513 223 S N -1.005 114.972 115.700 0.461 0.000 2.425 223 S HA 0.018 4.495 4.470 0.011 0.000 0.225 223 S C 2.234 177.066 174.600 0.388 0.000 1.024 223 S CA 0.965 59.504 58.200 0.564 0.000 0.951 223 S CB -0.532 63.004 63.200 0.560 0.000 0.796 223 S HN 0.404 nan 8.310 nan 0.000 0.498 224 G N 2.008 111.016 108.800 0.347 0.000 2.498 224 G HA2 -0.162 3.804 3.960 0.011 0.000 0.219 224 G HA3 -0.162 3.804 3.960 0.011 0.000 0.219 224 G C 1.369 176.306 174.900 0.062 0.000 1.119 224 G CA 0.621 45.859 45.100 0.229 0.000 0.766 224 G HN 0.520 nan 8.290 nan 0.000 0.552 225 N N 0.791 119.502 118.700 0.019 0.000 2.396 225 N HA -0.058 4.689 4.740 0.011 0.000 0.180 225 N C 2.343 177.711 175.510 -0.238 0.000 1.028 225 N CA 0.905 53.927 53.050 -0.046 0.000 0.893 225 N CB -0.204 38.348 38.487 0.107 0.000 0.967 225 N HN 0.657 nan 8.380 nan 0.000 0.440 226 I N -1.623 118.733 120.570 -0.358 0.000 2.335 226 I HA -0.183 3.994 4.170 0.011 0.000 0.251 226 I C 1.593 177.667 176.117 -0.072 0.000 1.129 226 I CA 1.208 62.331 61.300 -0.295 0.000 1.402 226 I CB -1.071 36.818 38.000 -0.185 0.000 1.069 226 I HN -0.145 nan 8.210 nan 0.000 0.424 227 T N 1.196 115.761 114.554 0.019 0.000 2.778 227 T HA -0.176 4.181 4.350 0.011 0.000 0.269 227 T C 1.463 176.186 174.700 0.038 0.000 1.050 227 T CA 2.097 64.241 62.100 0.073 0.000 1.137 227 T CB -0.347 68.609 68.868 0.147 0.000 0.860 227 T HN 0.512 nan 8.240 nan 0.000 0.468 228 D N 0.238 120.640 120.400 0.003 0.000 2.240 228 D HA 0.151 4.798 4.640 0.011 0.000 0.206 228 D C 2.080 178.369 176.300 -0.018 0.000 0.963 228 D CA 0.416 54.410 54.000 -0.009 0.000 0.863 228 D CB -0.022 40.760 40.800 -0.030 0.000 0.973 228 D HN 0.412 nan 8.370 nan 0.000 0.501 229 I N 0.516 121.071 120.570 -0.024 0.000 2.286 229 I HA -0.101 4.076 4.170 0.011 0.000 0.245 229 I C 1.447 177.575 176.117 0.019 0.000 1.104 229 I CA 0.039 61.336 61.300 -0.005 0.000 1.397 229 I CB -0.353 37.646 38.000 -0.002 0.000 1.072 229 I HN -0.051 nan 8.210 nan 0.000 0.417 230 C N 5.084 124.395 119.300 0.019 0.000 2.419 230 C HA 0.004 4.471 4.460 0.011 0.000 0.398 230 C C -0.164 174.861 174.990 0.058 0.000 1.498 230 C CA -1.045 58.000 59.018 0.045 0.000 1.494 230 C CB -0.110 27.660 27.740 0.051 0.000 2.485 230 C HN 0.297 nan 8.230 nan 0.000 0.608 231 P HA -0.031 nan 4.420 nan 0.000 0.226 231 P C 0.460 177.808 177.300 0.079 0.000 1.153 231 P CA 1.319 64.471 63.100 0.087 0.000 0.777 231 P CB -0.189 31.576 31.700 0.108 0.000 0.794 232 V N -3.717 116.239 119.914 0.071 0.000 3.344 232 V HA 0.824 4.951 4.120 0.011 0.000 0.301 232 V C 1.029 177.188 176.094 0.109 0.000 1.286 232 V CA -0.444 61.915 62.300 0.099 0.000 1.028 232 V CB 0.168 32.063 31.823 0.121 0.000 1.223 232 V HN -0.110 nan 8.190 nan 0.000 0.478 233 G N -1.357 107.521 108.800 0.130 0.000 4.084 233 G HA2 0.548 4.515 3.960 0.011 0.000 0.293 233 G HA3 0.548 4.515 3.960 0.011 0.000 0.293 233 G C 0.550 175.514 174.900 0.106 0.000 1.303 233 G CA 0.615 45.785 45.100 0.118 0.000 1.289 233 G HN 1.147 nan 8.290 nan 0.000 0.609 234 A N 0.513 123.392 122.820 0.098 0.000 1.844 234 A HA 0.387 4.714 4.320 0.011 0.000 0.212 234 A C 1.065 178.703 177.584 0.090 0.000 1.221 234 A CA 0.429 52.518 52.037 0.088 0.000 0.607 234 A CB -0.152 18.895 19.000 0.078 0.000 0.878 234 A HN 0.368 nan 8.150 nan 0.000 0.451 235 L N 1.485 122.762 121.223 0.090 0.000 2.261 235 L HA 0.461 4.808 4.340 0.011 0.000 0.289 235 L C -1.126 175.807 176.870 0.105 0.000 1.059 235 L CA -0.032 54.868 54.840 0.101 0.000 0.816 235 L CB 0.753 42.870 42.059 0.096 0.000 1.191 235 L HN 0.292 nan 8.230 nan 0.000 0.431 236 L N 2.829 124.119 121.223 0.112 0.000 2.436 236 L HA 0.321 4.668 4.340 0.011 0.000 0.268 236 L C -0.348 176.602 176.870 0.135 0.000 0.974 236 L CA -0.842 54.066 54.840 0.113 0.000 0.826 236 L CB 2.560 44.672 42.059 0.088 0.000 1.291 236 L HN 0.466 nan 8.230 nan 0.000 0.406 237 D N 2.714 123.226 120.400 0.186 0.000 2.402 237 D HA -0.053 4.594 4.640 0.011 0.000 0.268 237 D C 0.584 176.978 176.300 0.157 0.000 1.294 237 D CA 0.097 54.263 54.000 0.276 0.000 0.945 237 D CB 1.112 42.115 40.800 0.340 0.000 1.112 237 D HN 0.385 nan 8.370 nan 0.000 0.517 238 L N 4.315 125.581 121.223 0.071 0.000 2.418 238 L HA -0.011 4.336 4.340 0.011 0.000 0.218 238 L C 2.105 178.991 176.870 0.026 0.000 1.125 238 L CA 1.141 55.978 54.840 -0.005 0.000 0.835 238 L CB -0.729 41.289 42.059 -0.067 0.000 0.953 238 L HN 0.454 nan 8.230 nan 0.000 0.454 239 T N -0.537 114.080 114.554 0.105 0.000 2.803 239 T HA -0.108 4.249 4.350 0.011 0.000 0.269 239 T C 1.115 175.925 174.700 0.183 0.000 1.052 239 T CA 1.317 63.525 62.100 0.180 0.000 1.136 239 T CB -0.140 68.921 68.868 0.322 0.000 0.864 239 T HN 0.494 nan 8.240 nan 0.000 0.467 240 A N 0.630 123.550 122.820 0.166 0.000 2.812 240 A HA 0.470 4.797 4.320 0.011 0.000 0.294 240 A C 0.413 178.036 177.584 0.065 0.000 1.014 240 A CA -0.562 51.548 52.037 0.121 0.000 1.024 240 A CB -0.030 19.047 19.000 0.128 0.000 1.162 240 A HN 0.399 nan 8.150 nan 0.000 0.511 241 R N 0.254 120.753 120.500 -0.002 0.000 2.590 241 R HA 0.240 4.587 4.340 0.011 0.000 0.274 241 R C -0.618 175.700 176.300 0.030 0.000 1.061 241 R CA -0.151 55.885 56.100 -0.107 0.000 1.081 241 R CB -0.045 30.045 30.300 -0.350 0.000 0.984 241 R HN 0.390 nan 8.270 nan 0.000 0.448 242 F N 2.672 122.618 119.950 -0.006 0.000 2.866 242 F HA -0.266 4.268 4.527 0.011 0.000 0.254 242 F C 0.614 176.395 175.800 -0.031 0.000 1.009 242 F CA 0.524 58.510 58.000 -0.024 0.000 0.907 242 F CB -1.049 37.938 39.000 -0.022 0.000 0.859 242 F HN 0.740 nan 8.300 nan 0.000 0.842 243 R N -0.023 120.555 120.500 0.131 0.000 2.119 243 R HA 0.710 5.057 4.340 0.011 0.000 0.202 243 R C 0.967 177.253 176.300 -0.023 0.000 1.114 243 R CA 1.181 57.306 56.100 0.040 0.000 1.089 243 R CB 0.079 30.388 30.300 0.016 0.000 1.000 243 R HN 0.390 nan 8.270 nan 0.000 0.487 244 A N 0.659 123.441 122.820 -0.063 0.000 2.586 244 A HA 0.669 4.996 4.320 0.011 0.000 0.290 244 A C -1.124 176.316 177.584 -0.240 0.000 1.086 244 A CA -0.802 51.142 52.037 -0.155 0.000 0.665 244 A CB 1.190 20.091 19.000 -0.166 0.000 1.279 244 A HN -0.063 nan 8.150 nan 0.000 0.423 245 R N 0.916 121.145 120.500 -0.452 0.000 2.615 245 R HA 0.298 4.645 4.340 0.011 0.000 0.270 245 R C 0.777 176.656 176.300 -0.702 0.000 1.081 245 R CA -0.856 54.808 56.100 -0.727 0.000 1.154 245 R CB 0.123 29.541 30.300 -1.470 0.000 1.063 245 R HN 0.783 nan 8.270 nan 0.000 0.519 246 N N 0.967 119.379 118.700 -0.481 0.000 2.149 246 N HA -0.181 4.566 4.740 0.011 0.000 0.188 246 N C 1.651 177.108 175.510 -0.089 0.000 1.019 246 N CA 1.578 54.530 53.050 -0.163 0.000 0.857 246 N CB -0.106 38.404 38.487 0.038 0.000 0.997 246 N HN 0.670 nan 8.380 nan 0.000 0.426 247 W N 1.331 122.638 121.300 0.012 0.000 2.584 247 W HA 0.181 4.849 4.660 0.013 0.000 0.264 247 W C 1.211 177.731 176.519 0.001 0.000 1.264 247 W CA -0.004 57.345 57.345 0.006 0.000 1.306 247 W CB -0.621 28.843 29.460 0.007 0.000 1.110 247 W HN -0.091 nan 8.180 nan 0.000 0.606 248 E N 0.836 120.743 120.200 -0.489 0.000 2.512 248 E HA -0.021 4.336 4.350 0.011 0.000 0.195 248 E C 0.665 177.175 176.600 -0.150 0.000 1.083 248 E CA 0.199 56.433 56.400 -0.277 0.000 0.873 248 E CB -0.159 29.296 29.700 -0.408 0.000 0.897 248 E HN 0.207 nan 8.360 nan 0.000 0.514 249 M N 0.523 120.054 119.600 -0.115 0.000 2.367 249 M HA 0.189 4.676 4.480 0.011 0.000 0.339 249 M C 0.151 176.427 176.300 -0.040 0.000 1.177 249 M CA -0.204 55.048 55.300 -0.080 0.000 1.068 249 M CB 1.066 33.620 32.600 -0.077 0.000 1.602 249 M HN -0.142 nan 8.290 nan 0.000 0.457 250 E N 2.047 122.219 120.200 -0.046 0.000 1.998 250 E HA 0.214 4.571 4.350 0.011 0.000 0.257 250 E C -0.918 175.659 176.600 -0.038 0.000 1.038 250 E CA -0.164 56.216 56.400 -0.032 0.000 0.869 250 E CB 0.430 30.109 29.700 -0.035 0.000 1.135 250 E HN 0.535 nan 8.360 nan 0.000 0.430 251 E N 2.190 122.376 120.200 -0.023 0.000 2.376 251 E HA 0.084 4.441 4.350 0.011 0.000 0.266 251 E C -0.773 175.815 176.600 -0.020 0.000 1.009 251 E CA 0.411 56.797 56.400 -0.023 0.000 0.902 251 E CB 1.116 30.812 29.700 -0.008 0.000 0.972 251 E HN 0.280 nan 8.360 nan 0.000 0.439 252 T N 5.145 119.685 114.554 -0.024 0.000 2.934 252 T HA 0.255 4.612 4.350 0.011 0.000 0.328 252 T C -2.448 172.254 174.700 0.005 0.000 1.068 252 T CA -1.600 60.492 62.100 -0.013 0.000 1.018 252 T CB 1.005 69.859 68.868 -0.023 0.000 1.009 252 T HN 0.291 nan 8.240 nan 0.000 0.471 253 P HA 0.274 nan 4.420 nan 0.000 0.276 253 P C -0.316 177.006 177.300 0.036 0.000 1.264 253 P CA 0.241 63.354 63.100 0.023 0.000 0.769 253 P CB 1.192 32.904 31.700 0.018 0.000 0.840 254 T N 1.917 116.504 114.554 0.055 0.000 2.587 254 T HA 0.540 4.897 4.350 0.011 0.000 0.282 254 T C -0.947 173.808 174.700 0.093 0.000 1.018 254 T CA -0.158 61.987 62.100 0.075 0.000 1.120 254 T CB 1.031 69.952 68.868 0.088 0.000 1.538 254 T HN 0.271 nan 8.240 nan 0.000 0.480 255 T N 0.542 115.171 114.554 0.125 0.000 2.903 255 T HA 0.507 4.864 4.350 0.011 0.000 0.299 255 T C -0.928 173.892 174.700 0.201 0.000 1.093 255 T CA -0.431 61.742 62.100 0.122 0.000 1.002 255 T CB 1.298 70.214 68.868 0.079 0.000 1.127 255 T HN 0.811 nan 8.240 nan 0.000 0.488 256 C N 2.258 121.648 119.300 0.150 0.000 2.452 256 C HA 0.756 5.223 4.460 0.011 0.000 0.379 256 C C 1.083 175.965 174.990 -0.180 0.000 1.275 256 C CA -0.224 58.880 59.018 0.144 0.000 2.056 256 C CB -1.032 26.776 27.740 0.113 0.000 2.506 256 C HN 0.972 nan 8.230 nan 0.000 0.560 257 A N 5.621 127.962 122.820 -0.798 0.000 2.749 257 A HA 0.352 4.679 4.320 0.011 0.000 0.299 257 A C 0.922 178.094 177.584 -0.686 0.000 1.105 257 A CA -0.188 51.379 52.037 -0.782 0.000 0.987 257 A CB -0.196 18.262 19.000 -0.902 0.000 1.180 257 A HN 0.922 nan 8.150 nan 0.000 0.528 258 L N -0.350 120.608 121.223 -0.442 0.000 2.375 258 L HA 0.097 4.444 4.340 0.011 0.000 0.215 258 L C 1.053 177.829 176.870 -0.155 0.000 1.108 258 L CA 0.805 55.522 54.840 -0.204 0.000 0.830 258 L CB 0.244 42.236 42.059 -0.112 0.000 0.959 258 L HN 0.819 nan 8.230 nan 0.000 0.457 259 C N -4.620 114.590 119.300 -0.149 0.000 3.314 259 C HA 0.412 4.879 4.460 0.011 0.000 0.344 259 C C -2.034 172.900 174.990 -0.092 0.000 1.461 259 C CA -1.129 57.812 59.018 -0.129 0.000 1.249 259 C CB 0.776 28.445 27.740 -0.118 0.000 1.632 259 C HN -0.138 nan 8.230 nan 0.000 0.452 260 P HA -0.010 nan 4.420 nan 0.000 0.233 260 P C 1.565 178.847 177.300 -0.031 0.000 1.167 260 P CA 1.698 64.771 63.100 -0.045 0.000 0.770 260 P CB -0.076 31.604 31.700 -0.034 0.000 0.837 261 V N -2.804 117.095 119.914 -0.026 0.000 2.667 261 V HA 0.175 4.302 4.120 0.011 0.000 0.252 261 V C 1.272 177.362 176.094 -0.006 0.000 1.065 261 V CA 1.086 63.382 62.300 -0.006 0.000 1.083 261 V CB -1.899 29.931 31.823 0.013 0.000 0.692 261 V HN 0.268 nan 8.190 nan 0.000 0.468 262 G N 0.064 108.852 108.800 -0.020 0.000 2.374 262 G HA2 -0.235 3.732 3.960 0.011 0.000 0.289 262 G HA3 -0.235 3.732 3.960 0.011 0.000 0.289 262 G C 0.218 175.122 174.900 0.007 0.000 1.004 262 G CA 0.241 45.332 45.100 -0.016 0.000 1.292 262 G HN 0.774 nan 8.290 nan 0.000 0.502 263 C N -0.296 119.015 119.300 0.018 0.000 1.862 263 C HA 0.740 5.207 4.460 0.011 0.000 0.228 263 C C 1.706 176.718 174.990 0.037 0.000 2.978 263 C CA 0.767 59.806 59.018 0.033 0.000 1.737 263 C CB 0.037 27.805 27.740 0.047 0.000 1.924 263 C HN 1.648 nan 8.230 nan 0.000 0.433 264 G N 0.094 108.919 108.800 0.041 0.000 2.618 264 G HA2 0.638 4.605 3.960 0.011 0.000 0.280 264 G HA3 0.638 4.605 3.960 0.011 0.000 0.280 264 G C -1.015 173.911 174.900 0.043 0.000 1.458 264 G CA -0.303 44.821 45.100 0.040 0.000 1.224 264 G HN 0.687 nan 8.290 nan 0.000 0.576 265 I N -0.840 119.770 120.570 0.066 0.000 3.264 265 I HA 0.883 5.060 4.170 0.011 0.000 0.309 265 I C -0.346 175.800 176.117 0.048 0.000 1.099 265 I CA -1.195 60.144 61.300 0.065 0.000 0.989 265 I CB 2.496 40.568 38.000 0.119 0.000 1.250 265 I HN 0.210 nan 8.210 nan 0.000 0.478 266 T N 1.681 116.253 114.554 0.030 0.000 2.879 266 T HA 0.649 5.006 4.350 0.011 0.000 0.290 266 T C -0.599 174.093 174.700 -0.012 0.000 0.993 266 T CA -0.474 61.633 62.100 0.011 0.000 0.975 266 T CB 1.575 70.442 68.868 -0.003 0.000 0.981 266 T HN 0.805 nan 8.240 nan 0.000 0.439 267 A N 3.116 125.919 122.820 -0.027 0.000 2.276 267 A HA 0.588 4.914 4.320 0.011 0.000 0.300 267 A C -0.315 177.200 177.584 -0.115 0.000 1.235 267 A CA -0.650 51.325 52.037 -0.103 0.000 0.867 267 A CB 0.257 19.180 19.000 -0.129 0.000 1.137 267 A HN 0.722 nan 8.150 nan 0.000 0.527 268 D N 2.686 122.999 120.400 -0.145 0.000 2.274 268 D HA 0.469 5.116 4.640 0.011 0.000 0.239 268 D C 0.327 176.536 176.300 -0.152 0.000 1.104 268 D CA 0.404 54.331 54.000 -0.123 0.000 0.840 268 D CB 1.646 42.385 40.800 -0.101 0.000 1.100 268 D HN 0.659 nan 8.370 nan 0.000 0.477 269 T N -0.408 114.072 114.554 -0.123 0.000 2.864 269 T HA 0.734 5.091 4.350 0.011 0.000 0.289 269 T C -0.279 174.364 174.700 -0.093 0.000 1.082 269 T CA -1.129 60.897 62.100 -0.124 0.000 1.009 269 T CB 2.688 71.480 68.868 -0.126 0.000 1.234 269 T HN 0.380 nan 8.240 nan 0.000 0.526 270 R N 0.320 120.769 120.500 -0.086 0.000 3.119 270 R HA 0.406 4.753 4.340 0.011 0.000 0.294 270 R C -1.175 175.089 176.300 -0.059 0.000 1.267 270 R CA -0.026 56.033 56.100 -0.068 0.000 1.078 270 R CB 0.158 30.414 30.300 -0.074 0.000 1.320 270 R HN 0.946 nan 8.270 nan 0.000 0.380 271 S N 2.078 117.749 115.700 -0.050 0.000 3.928 271 S HA -0.104 4.373 4.470 0.011 0.000 0.310 271 S C 0.756 175.328 174.600 -0.046 0.000 1.116 271 S CA 1.125 59.300 58.200 -0.041 0.000 0.864 271 S CB -1.344 61.835 63.200 -0.035 0.000 0.888 271 S HN 1.425 nan 8.310 nan 0.000 0.535 272 G N 0.483 109.250 108.800 -0.055 0.000 2.168 272 G HA2 -0.309 3.658 3.960 0.011 0.000 0.263 272 G HA3 -0.309 3.658 3.960 0.011 0.000 0.263 272 G C -0.325 174.527 174.900 -0.079 0.000 0.977 272 G CA 0.893 45.956 45.100 -0.061 0.000 0.659 272 G HN 1.076 nan 8.290 nan 0.000 0.533 273 E N -0.683 119.466 120.200 -0.086 0.000 2.227 273 E HA 0.712 5.069 4.350 0.011 0.000 0.268 273 E C -0.677 175.836 176.600 -0.145 0.000 0.907 273 E CA -1.464 54.875 56.400 -0.103 0.000 0.786 273 E CB 2.199 31.855 29.700 -0.073 0.000 1.191 273 E HN 0.230 nan 8.360 nan 0.000 0.411 274 L N 3.629 124.738 121.223 -0.190 0.000 2.260 274 L HA 0.107 4.454 4.340 0.011 0.000 0.289 274 L C -0.181 176.522 176.870 -0.278 0.000 1.057 274 L CA -0.285 54.380 54.840 -0.292 0.000 0.811 274 L CB 0.717 42.523 42.059 -0.422 0.000 1.184 274 L HN 0.738 nan 8.230 nan 0.000 0.429 275 L N 4.128 125.191 121.223 -0.266 0.000 2.189 275 L HA 0.343 4.690 4.340 0.011 0.000 0.199 275 L C 0.867 177.588 176.870 -0.248 0.000 1.074 275 L CA 0.948 55.675 54.840 -0.188 0.000 0.783 275 L CB -0.677 41.308 42.059 -0.123 0.000 0.955 275 L HN 0.733 nan 8.230 nan 0.000 0.460 276 R N -0.667 119.643 120.500 -0.316 0.000 2.643 276 R HA 0.461 4.808 4.340 0.011 0.000 0.269 276 R C -1.756 174.405 176.300 -0.231 0.000 1.037 276 R CA -0.529 55.444 56.100 -0.212 0.000 0.894 276 R CB 1.909 32.175 30.300 -0.056 0.000 1.238 276 R HN -0.125 nan 8.270 nan 0.000 0.459 277 I N 4.207 124.719 120.570 -0.095 0.000 2.389 277 I HA 0.465 4.641 4.170 0.011 0.000 0.288 277 I C -0.086 176.015 176.117 -0.026 0.000 0.999 277 I CA -0.627 60.647 61.300 -0.044 0.000 1.129 277 I CB 1.668 39.700 38.000 0.053 0.000 1.288 277 I HN 0.645 nan 8.210 nan 0.000 0.444 278 R N 3.434 123.919 120.500 -0.025 0.000 2.919 278 R HA 0.833 5.179 4.340 0.011 0.000 0.260 278 R C -0.548 175.743 176.300 -0.015 0.000 1.067 278 R CA -0.912 55.173 56.100 -0.024 0.000 1.003 278 R CB 2.055 32.344 30.300 -0.018 0.000 1.192 278 R HN 0.672 nan 8.270 nan 0.000 0.488 279 A N 1.344 124.150 122.820 -0.023 0.000 2.290 279 A HA 0.356 4.683 4.320 0.011 0.000 0.310 279 A C -0.316 177.249 177.584 -0.032 0.000 1.202 279 A CA -0.470 51.556 52.037 -0.019 0.000 0.837 279 A CB 0.543 19.528 19.000 -0.025 0.000 1.139 279 A HN 0.669 nan 8.150 nan 0.000 0.509 280 R N 2.072 122.563 120.500 -0.016 0.000 2.308 280 R HA 0.220 4.567 4.340 0.011 0.000 0.305 280 R C -0.006 176.273 176.300 -0.034 0.000 1.053 280 R CA -0.270 55.819 56.100 -0.018 0.000 0.957 280 R CB 0.561 30.863 30.300 0.003 0.000 1.022 280 R HN 0.858 nan 8.270 nan 0.000 0.461 281 E N 3.472 123.646 120.200 -0.043 0.000 2.324 281 E HA 0.103 4.460 4.350 0.011 0.000 0.271 281 E C -1.345 175.240 176.600 -0.024 0.000 1.028 281 E CA -0.236 56.133 56.400 -0.052 0.000 0.890 281 E CB 1.136 30.808 29.700 -0.047 0.000 1.004 281 E HN 0.353 nan 8.360 nan 0.000 0.431 282 V N 7.675 127.574 119.914 -0.025 0.000 2.670 282 V HA 0.224 4.351 4.120 0.011 0.000 0.258 282 V C -2.110 173.981 176.094 -0.005 0.000 0.906 282 V CA -1.458 60.837 62.300 -0.008 0.000 0.887 282 V CB 1.499 33.321 31.823 -0.002 0.000 1.059 282 V HN 0.729 nan 8.190 nan 0.000 0.484 283 P HA -0.206 nan 4.420 nan 0.000 0.216 283 P C 1.256 178.566 177.300 0.016 0.000 1.154 283 P CA 1.720 64.836 63.100 0.026 0.000 0.865 283 P CB 0.280 32.012 31.700 0.054 0.000 0.789 284 E N -0.392 119.814 120.200 0.011 0.000 2.273 284 E HA -0.101 4.256 4.350 0.011 0.000 0.198 284 E C 1.806 178.411 176.600 0.007 0.000 1.002 284 E CA 0.783 57.188 56.400 0.008 0.000 0.828 284 E CB -0.996 28.705 29.700 0.002 0.000 0.747 284 E HN 0.274 nan 8.360 nan 0.000 0.491 285 V N 1.591 121.509 119.914 0.006 0.000 5.812 285 V HA 0.074 4.201 4.120 0.011 0.000 0.138 285 V C -0.624 175.478 176.094 0.014 0.000 1.053 285 V CA -0.062 62.244 62.300 0.010 0.000 1.322 285 V CB 0.676 32.505 31.823 0.010 0.000 2.412 285 V HN 0.265 nan 8.190 nan 0.000 0.316 286 N N 1.144 119.858 118.700 0.023 0.000 2.483 286 N HA 0.027 4.774 4.740 0.011 0.000 0.264 286 N C 0.273 175.772 175.510 -0.018 0.000 1.197 286 N CA 0.358 53.432 53.050 0.040 0.000 0.927 286 N CB 1.661 40.188 38.487 0.067 0.000 1.065 286 N HN 0.668 nan 8.380 nan 0.000 0.461 287 E N 1.588 121.750 120.200 -0.063 0.000 1.998 287 E HA -0.049 4.307 4.350 0.011 0.000 0.195 287 E C 1.006 177.429 176.600 -0.295 0.000 0.994 287 E CA 1.721 57.988 56.400 -0.222 0.000 0.835 287 E CB -0.006 29.382 29.700 -0.520 0.000 0.786 287 E HN 0.854 nan 8.360 nan 0.000 0.467 288 I N -3.435 116.744 120.570 -0.652 0.000 3.817 288 I HA 0.335 4.511 4.170 0.011 0.000 0.322 288 I C -0.904 174.844 176.117 -0.615 0.000 1.512 288 I CA -0.606 60.330 61.300 -0.606 0.000 1.066 288 I CB 0.079 37.679 38.000 -0.668 0.000 1.336 288 I HN 0.012 nan 8.210 nan 0.000 0.539 289 W N 1.245 122.549 121.300 0.007 0.000 2.647 289 W HA 0.781 5.447 4.660 0.011 0.000 0.353 289 W C -0.394 176.147 176.519 0.037 0.000 1.080 289 W CA -1.037 56.326 57.345 0.029 0.000 1.208 289 W CB 1.694 31.183 29.460 0.047 0.000 1.396 289 W HN -0.210 nan 8.180 nan 0.000 0.573 290 I N 2.256 123.023 120.570 0.329 0.000 2.752 290 I HA 0.194 4.370 4.170 0.011 0.000 0.295 290 I C 0.022 176.242 176.117 0.172 0.000 1.219 290 I CA -1.518 59.885 61.300 0.171 0.000 1.030 290 I CB 0.994 39.031 38.000 0.062 0.000 1.259 290 I HN 0.727 nan 8.210 nan 0.000 0.423 291 C N 3.131 122.479 119.300 0.080 0.000 2.403 291 C HA 0.486 4.953 4.460 0.011 0.000 0.361 291 C C 1.530 176.361 174.990 -0.266 0.000 1.274 291 C CA -0.297 58.685 59.018 -0.060 0.000 2.433 291 C CB 1.135 28.775 27.740 -0.167 0.000 2.323 291 C HN 0.814 nan 8.230 nan 0.000 0.614 292 D N 0.862 121.022 120.400 -0.400 0.000 2.144 292 D HA -0.026 4.621 4.640 0.011 0.000 0.200 292 D C 2.301 178.165 176.300 -0.728 0.000 0.978 292 D CA 2.025 55.779 54.000 -0.410 0.000 0.833 292 D CB -0.441 40.280 40.800 -0.131 0.000 0.961 292 D HN 0.824 nan 8.370 nan 0.000 0.470 293 A N 0.623 122.758 122.820 -1.142 0.000 1.972 293 A HA -0.020 4.307 4.320 0.011 0.000 0.219 293 A C 2.319 179.560 177.584 -0.572 0.000 1.169 293 A CA 1.921 53.053 52.037 -1.509 0.000 0.635 293 A CB -0.872 17.281 19.000 -1.411 0.000 0.810 293 A HN 0.302 nan 8.150 nan 0.000 0.446 294 G N -0.791 107.795 108.800 -0.357 0.000 2.484 294 G HA2 -0.122 3.845 3.960 0.011 0.000 0.218 294 G HA3 -0.122 3.845 3.960 0.011 0.000 0.218 294 G C 1.668 176.558 174.900 -0.016 0.000 1.130 294 G CA 0.899 45.948 45.100 -0.086 0.000 0.784 294 G HN 0.601 nan 8.290 nan 0.000 0.543 295 R N -1.254 119.120 120.500 -0.211 0.000 2.146 295 R HA 0.222 4.569 4.340 0.011 0.000 0.206 295 R C 1.287 177.442 176.300 -0.241 0.000 1.049 295 R CA 0.386 56.319 56.100 -0.278 0.000 1.029 295 R CB -0.067 29.895 30.300 -0.563 0.000 0.949 295 R HN 0.252 nan 8.270 nan 0.000 0.471 296 F N 0.241 120.083 119.950 -0.180 0.000 2.721 296 F HA 0.410 4.944 4.527 0.011 0.000 0.301 296 F C 1.079 176.720 175.800 -0.264 0.000 1.096 296 F CA -0.071 57.714 58.000 -0.358 0.000 1.308 296 F CB 0.791 39.231 39.000 -0.933 0.000 1.086 296 F HN 0.056 nan 8.300 nan 0.000 0.587 297 G N -0.284 108.591 108.800 0.125 0.000 3.161 297 G HA2 0.375 4.342 3.960 0.011 0.000 0.328 297 G HA3 0.375 4.342 3.960 0.011 0.000 0.328 297 G C -0.107 175.064 174.900 0.452 0.000 1.037 297 G CA -0.080 45.225 45.100 0.340 0.000 1.416 297 G HN 0.500 nan 8.290 nan 0.000 0.486 298 H N -2.062 117.256 119.070 0.413 0.000 3.650 298 H HA 0.182 4.745 4.556 0.011 0.000 0.260 298 H C 1.042 176.392 175.328 0.038 0.000 1.194 298 H CA -0.272 55.902 56.048 0.210 0.000 1.135 298 H CB 0.034 29.781 29.762 -0.025 0.000 1.612 298 H HN 0.403 nan 8.280 nan 0.000 0.703 299 E N 1.399 121.776 120.200 0.295 0.000 2.482 299 E HA -0.037 4.320 4.350 0.011 0.000 0.196 299 E C 0.859 177.604 176.600 0.240 0.000 1.047 299 E CA 0.781 57.332 56.400 0.252 0.000 0.869 299 E CB -0.046 29.766 29.700 0.187 0.000 0.836 299 E HN 0.746 nan 8.360 nan 0.000 0.520 300 W N -0.004 121.421 121.300 0.208 0.000 2.494 300 W HA 0.251 4.918 4.660 0.011 0.000 0.286 300 W C 1.733 178.446 176.519 0.323 0.000 1.218 300 W CA 0.742 58.230 57.345 0.238 0.000 1.313 300 W CB -0.729 28.867 29.460 0.228 0.000 1.105 300 W HN -0.028 nan 8.180 nan 0.000 0.561 301 A N 1.412 123.609 122.820 -1.038 0.000 2.015 301 A HA -0.176 4.150 4.320 0.011 0.000 0.219 301 A C 1.823 179.216 177.584 -0.318 0.000 1.163 301 A CA 1.854 53.379 52.037 -0.853 0.000 0.646 301 A CB -0.847 17.541 19.000 -1.019 0.000 0.806 301 A HN 0.157 nan 8.150 nan 0.000 0.448 302 D N -0.517 119.757 120.400 -0.209 0.000 2.117 302 D HA -0.107 4.540 4.640 0.011 0.000 0.197 302 D C 1.871 178.141 176.300 -0.050 0.000 0.987 302 D CA 1.082 55.017 54.000 -0.108 0.000 0.829 302 D CB 0.075 40.854 40.800 -0.036 0.000 0.961 302 D HN 0.534 nan 8.370 nan 0.000 0.460 303 Q N 0.362 120.174 119.800 0.019 0.000 3.050 303 Q HA 0.099 4.446 4.340 0.011 0.000 0.256 303 Q C 0.340 176.360 176.000 0.033 0.000 1.161 303 Q CA -0.329 55.505 55.803 0.053 0.000 0.329 303 Q CB -0.478 28.329 28.738 0.115 0.000 5.721 303 Q HN 0.099 nan 8.270 nan 0.000 0.326 304 N N 2.201 120.959 118.700 0.097 0.000 2.440 304 N HA 0.067 4.813 4.740 0.011 0.000 0.265 304 N C -0.307 175.141 175.510 -0.104 0.000 1.239 304 N CA 0.632 53.717 53.050 0.059 0.000 0.909 304 N CB 0.500 39.069 38.487 0.137 0.000 1.066 304 N HN 0.187 nan 8.380 nan 0.000 0.474 305 R N 1.247 121.649 120.500 -0.163 0.000 2.626 305 R HA 0.297 4.644 4.340 0.011 0.000 0.274 305 R C -0.919 175.302 176.300 -0.131 0.000 1.031 305 R CA -0.963 54.943 56.100 -0.324 0.000 0.898 305 R CB 1.875 32.006 30.300 -0.282 0.000 1.222 305 R HN 0.374 nan 8.270 nan 0.000 0.455 306 L N 2.819 123.984 121.223 -0.097 0.000 2.361 306 L HA 0.266 4.613 4.340 0.011 0.000 0.278 306 L C 0.498 177.374 176.870 0.010 0.000 1.113 306 L CA 0.940 55.777 54.840 -0.004 0.000 0.849 306 L CB 0.522 42.609 42.059 0.045 0.000 1.155 306 L HN 0.626 nan 8.230 nan 0.000 0.452 307 K N 1.974 122.387 120.400 0.022 0.000 2.436 307 K HA 0.180 4.507 4.320 0.011 0.000 0.198 307 K C -0.005 176.638 176.600 0.072 0.000 1.174 307 K CA 0.640 56.954 56.287 0.045 0.000 0.951 307 K CB 0.612 33.129 32.500 0.027 0.000 1.040 307 K HN 0.784 nan 8.250 nan 0.000 0.536 308 T N 0.676 115.255 114.554 0.041 0.000 2.856 308 T HA 0.386 4.743 4.350 0.011 0.000 0.283 308 T C -2.967 171.705 174.700 -0.047 0.000 1.008 308 T CA -2.547 59.565 62.100 0.019 0.000 0.997 308 T CB 2.059 70.934 68.868 0.012 0.000 0.992 308 T HN -0.220 nan 8.240 nan 0.000 0.454 309 P HA 0.242 nan 4.420 nan 0.000 0.267 309 P C -0.607 176.606 177.300 -0.144 0.000 1.205 309 P CA -0.299 62.637 63.100 -0.274 0.000 0.765 309 P CB 0.534 31.846 31.700 -0.647 0.000 0.828 310 L N 3.401 124.571 121.223 -0.088 0.000 2.334 310 L HA 0.659 5.006 4.340 0.011 0.000 0.275 310 L C 0.491 177.346 176.870 -0.025 0.000 1.036 310 L CA -0.954 53.864 54.840 -0.038 0.000 0.807 310 L CB 1.884 43.938 42.059 -0.008 0.000 1.231 310 L HN 0.158 nan 8.230 nan 0.000 0.438 311 V N 3.028 122.942 119.914 0.001 0.000 2.925 311 V HA 0.477 4.604 4.120 0.011 0.000 0.311 311 V C -0.567 175.557 176.094 0.051 0.000 1.104 311 V CA -0.743 61.577 62.300 0.034 0.000 0.954 311 V CB 2.459 34.301 31.823 0.032 0.000 1.022 311 V HN 0.838 nan 8.190 nan 0.000 0.427 312 R N 3.859 124.410 120.500 0.085 0.000 2.340 312 R HA 0.409 4.755 4.340 0.011 0.000 0.300 312 R C -0.086 176.251 176.300 0.062 0.000 1.069 312 R CA -0.040 56.111 56.100 0.086 0.000 0.984 312 R CB 1.168 31.553 30.300 0.142 0.000 1.003 312 R HN 0.817 nan 8.270 nan 0.000 0.459 313 K N 1.291 121.718 120.400 0.045 0.000 2.831 313 K HA 0.186 4.512 4.320 0.011 0.000 0.251 313 K C -0.146 176.469 176.600 0.026 0.000 1.221 313 K CA 0.189 56.494 56.287 0.030 0.000 0.976 313 K CB 0.490 33.004 32.500 0.024 0.000 1.745 313 K HN 0.420 nan 8.250 nan 0.000 0.414 314 E N 0.970 121.184 120.200 0.024 0.000 2.354 314 E HA 0.225 4.582 4.350 0.011 0.000 0.252 314 E C -0.076 176.538 176.600 0.023 0.000 1.330 314 E CA 0.323 56.734 56.400 0.020 0.000 1.658 314 E CB 0.129 29.838 29.700 0.015 0.000 1.460 314 E HN 0.701 nan 8.360 nan 0.000 0.435 315 G N 2.353 111.172 108.800 0.032 0.000 2.155 315 G HA2 -0.344 3.623 3.960 0.011 0.000 0.257 315 G HA3 -0.344 3.623 3.960 0.011 0.000 0.257 315 G C 0.355 175.278 174.900 0.039 0.000 0.983 315 G CA 0.857 45.980 45.100 0.037 0.000 0.676 315 G HN 0.445 nan 8.290 nan 0.000 0.528 316 R N -1.400 119.124 120.500 0.039 0.000 2.855 316 R HA 0.863 5.210 4.340 0.011 0.000 0.266 316 R C -0.572 175.752 176.300 0.040 0.000 1.034 316 R CA -1.309 54.813 56.100 0.036 0.000 0.944 316 R CB 1.064 31.381 30.300 0.028 0.000 1.219 316 R HN 0.055 nan 8.270 nan 0.000 0.474 317 L N 1.095 122.340 121.223 0.035 0.000 2.334 317 L HA 0.681 5.028 4.340 0.011 0.000 0.275 317 L C -0.028 176.857 176.870 0.024 0.000 1.036 317 L CA -1.006 53.853 54.840 0.032 0.000 0.807 317 L CB 1.203 43.280 42.059 0.029 0.000 1.231 317 L HN 0.536 nan 8.230 nan 0.000 0.438 318 V N -0.223 119.702 119.914 0.019 0.000 3.159 318 V HA 0.327 4.453 4.120 0.011 0.000 0.308 318 V C -0.163 175.935 176.094 0.007 0.000 1.190 318 V CA -1.004 61.305 62.300 0.015 0.000 1.037 318 V CB 2.551 34.383 31.823 0.016 0.000 1.060 318 V HN 0.802 nan 8.190 nan 0.000 0.437 319 E N 1.046 121.250 120.200 0.007 0.000 2.366 319 E HA 0.477 4.834 4.350 0.011 0.000 0.266 319 E C -0.259 176.340 176.600 -0.001 0.000 1.015 319 E CA 0.281 56.682 56.400 0.002 0.000 0.906 319 E CB 0.877 30.582 29.700 0.010 0.000 0.979 319 E HN 0.861 nan 8.360 nan 0.000 0.443 320 A N 3.680 126.488 122.820 -0.019 0.000 2.486 320 A HA 0.706 5.032 4.320 0.011 0.000 0.277 320 A C -0.548 177.021 177.584 -0.026 0.000 1.282 320 A CA -0.649 51.377 52.037 -0.018 0.000 0.784 320 A CB 1.756 20.739 19.000 -0.028 0.000 1.350 320 A HN 0.603 nan 8.150 nan 0.000 0.454 321 T N -1.492 113.060 114.554 -0.004 0.000 2.940 321 T HA 0.347 4.704 4.350 0.011 0.000 0.288 321 T C 0.213 174.921 174.700 0.014 0.000 1.045 321 T CA -0.218 61.908 62.100 0.043 0.000 1.018 321 T CB 0.777 69.712 68.868 0.111 0.000 1.151 321 T HN 0.601 nan 8.240 nan 0.000 0.529 322 W N 0.423 121.766 121.300 0.073 0.000 2.538 322 W HA 0.024 4.691 4.660 0.011 0.000 0.254 322 W C 2.133 178.728 176.519 0.126 0.000 1.249 322 W CA 0.455 57.853 57.345 0.088 0.000 1.253 322 W CB -0.123 29.366 29.460 0.049 0.000 1.130 322 W HN 0.726 nan 8.180 nan 0.000 0.618 323 E N 0.543 120.915 120.200 0.286 0.000 2.014 323 E HA -0.149 4.208 4.350 0.011 0.000 0.190 323 E C 1.830 178.541 176.600 0.185 0.000 0.980 323 E CA 1.494 58.036 56.400 0.236 0.000 0.807 323 E CB -0.425 29.374 29.700 0.164 0.000 0.770 323 E HN 0.252 nan 8.360 nan 0.000 0.451 324 E N 0.004 120.271 120.200 0.112 0.000 2.331 324 E HA -0.171 4.186 4.350 0.011 0.000 0.199 324 E C 1.674 178.307 176.600 0.054 0.000 1.008 324 E CA 0.796 57.235 56.400 0.065 0.000 0.843 324 E CB -0.053 29.670 29.700 0.038 0.000 0.761 324 E HN 0.244 nan 8.360 nan 0.000 0.507 325 A N 1.043 123.903 122.820 0.066 0.000 1.887 325 A HA -0.040 4.287 4.320 0.011 0.000 0.212 325 A C 1.841 179.515 177.584 0.150 0.000 1.198 325 A CA 0.224 52.285 52.037 0.040 0.000 0.628 325 A CB -0.506 18.419 19.000 -0.125 0.000 0.847 325 A HN 0.286 nan 8.150 nan 0.000 0.449 326 F N 0.865 120.869 119.950 0.089 0.000 2.269 326 F HA -0.070 4.464 4.527 0.011 0.000 0.301 326 F C 1.663 177.503 175.800 0.067 0.000 1.082 326 F CA 1.042 59.109 58.000 0.111 0.000 1.360 326 F CB -0.153 38.933 39.000 0.145 0.000 1.041 326 F HN 0.116 nan 8.300 nan 0.000 0.512 327 L N -0.546 120.644 121.223 -0.055 0.000 2.071 327 L HA -0.019 4.328 4.340 0.011 0.000 0.201 327 L C 2.756 179.548 176.870 -0.130 0.000 1.076 327 L CA 1.005 55.745 54.840 -0.166 0.000 0.755 327 L CB -1.308 40.720 42.059 -0.052 0.000 0.915 327 L HN 0.087 nan 8.230 nan 0.000 0.445 328 A N -0.156 122.641 122.820 -0.038 0.000 2.139 328 A HA -0.229 4.098 4.320 0.011 0.000 0.221 328 A C 2.149 179.731 177.584 -0.004 0.000 1.159 328 A CA 1.633 53.663 52.037 -0.012 0.000 0.662 328 A CB -0.549 18.478 19.000 0.045 0.000 0.796 328 A HN 0.384 nan 8.150 nan 0.000 0.463 329 L N -1.330 119.893 121.223 0.001 0.000 2.249 329 L HA 0.110 4.456 4.340 0.011 0.000 0.207 329 L C 2.106 178.892 176.870 -0.139 0.000 1.090 329 L CA 1.489 56.369 54.840 0.066 0.000 0.802 329 L CB -0.173 41.980 42.059 0.157 0.000 0.947 329 L HN 0.224 nan 8.230 nan 0.000 0.453 330 K N -0.483 119.759 120.400 -0.264 0.000 2.097 330 K HA -0.195 4.132 4.320 0.011 0.000 0.205 330 K C 1.943 178.373 176.600 -0.284 0.000 1.050 330 K CA 1.316 57.418 56.287 -0.309 0.000 0.938 330 K CB 0.047 32.311 32.500 -0.392 0.000 0.718 330 K HN 0.236 nan 8.250 nan 0.000 0.442 331 E N 0.543 120.583 120.200 -0.267 0.000 2.047 331 E HA -0.119 4.238 4.350 0.011 0.000 0.191 331 E C 1.801 178.170 176.600 -0.386 0.000 0.987 331 E CA 1.699 57.943 56.400 -0.259 0.000 0.799 331 E CB -0.467 29.121 29.700 -0.187 0.000 0.752 331 E HN 0.276 nan 8.360 nan 0.000 0.449 332 G N -0.376 108.046 108.800 -0.630 0.000 2.625 332 G HA2 -0.070 3.897 3.960 0.011 0.000 0.214 332 G HA3 -0.070 3.897 3.960 0.011 0.000 0.214 332 G C 1.141 175.431 174.900 -1.016 0.000 1.132 332 G CA 0.593 44.994 45.100 -1.166 0.000 0.782 332 G HN 0.310 nan 8.290 nan 0.000 0.538 333 L N -0.900 119.936 121.223 -0.645 0.000 2.966 333 L HA 0.281 4.628 4.340 0.011 0.000 0.262 333 L C 2.216 178.857 176.870 -0.383 0.000 1.165 333 L CA -0.095 54.451 54.840 -0.491 0.000 0.978 333 L CB 0.269 42.160 42.059 -0.279 0.000 1.337 333 L HN 0.114 nan 8.230 nan 0.000 0.563 334 K N 1.453 121.661 120.400 -0.321 0.000 2.001 334 K HA -0.146 4.181 4.320 0.011 0.000 0.214 334 K C 0.546 177.022 176.600 -0.208 0.000 1.050 334 K CA 1.369 57.521 56.287 -0.226 0.000 0.934 334 K CB 0.227 32.614 32.500 -0.189 0.000 0.718 334 K HN 0.145 nan 8.250 nan 0.000 0.443 335 E N 0.845 120.913 120.200 -0.220 0.000 2.341 335 E HA 0.195 4.552 4.350 0.011 0.000 0.279 335 E C -1.112 175.347 176.600 -0.235 0.000 1.395 335 E CA -0.084 56.220 56.400 -0.159 0.000 1.648 335 E CB 0.928 30.577 29.700 -0.084 0.000 1.524 335 E HN 0.321 nan 8.360 nan 0.000 0.462 336 A N 2.451 125.059 122.820 -0.353 0.000 2.343 336 A HA 0.486 4.813 4.320 0.011 0.000 0.316 336 A C 0.186 177.667 177.584 -0.172 0.000 1.104 336 A CA -1.005 50.702 52.037 -0.550 0.000 0.768 336 A CB 1.063 19.449 19.000 -1.023 0.000 1.213 336 A HN 0.259 nan 8.150 nan 0.000 0.456 337 R N 2.135 122.656 120.500 0.034 0.000 2.390 337 R HA 0.276 4.623 4.340 0.011 0.000 0.291 337 R C 0.498 176.818 176.300 0.034 0.000 1.070 337 R CA 0.198 56.324 56.100 0.044 0.000 1.014 337 R CB 0.346 30.694 30.300 0.080 0.000 1.007 337 R HN 0.759 nan 8.270 nan 0.000 0.466 338 G N 1.274 110.073 108.800 -0.002 0.000 3.318 338 G HA2 -0.120 3.847 3.960 0.011 0.000 0.230 338 G HA3 -0.120 3.847 3.960 0.011 0.000 0.230 338 G C 0.638 175.524 174.900 -0.024 0.000 1.317 338 G CA -0.132 44.961 45.100 -0.012 0.000 1.197 338 G HN 0.784 nan 8.290 nan 0.000 0.514 339 E N -0.415 119.766 120.200 -0.032 0.000 2.535 339 E HA 0.005 4.362 4.350 0.011 0.000 0.216 339 E C 1.262 177.723 176.600 -0.232 0.000 0.845 339 E CA -0.041 56.293 56.400 -0.109 0.000 1.306 339 E CB 0.322 29.978 29.700 -0.073 0.000 1.291 339 E HN 0.245 nan 8.360 nan 0.000 0.635 340 E N 0.803 120.962 120.200 -0.069 0.000 2.482 340 E HA 0.046 4.403 4.350 0.011 0.000 0.196 340 E C 0.447 177.078 176.600 0.053 0.000 1.047 340 E CA 0.101 56.482 56.400 -0.032 0.000 0.869 340 E CB 0.464 30.244 29.700 0.134 0.000 0.836 340 E HN 0.022 nan 8.360 nan 0.000 0.520 341 V N 1.402 121.342 119.914 0.044 0.000 2.493 341 V HA 0.172 4.299 4.120 0.011 0.000 0.292 341 V C 0.797 176.885 176.094 -0.009 0.000 1.016 341 V CA 0.303 62.643 62.300 0.066 0.000 1.097 341 V CB 0.757 32.596 31.823 0.027 0.000 0.947 341 V HN 0.081 nan 8.190 nan 0.000 0.479 342 G N 5.779 114.574 108.800 -0.009 0.000 2.502 342 G HA2 0.632 4.598 3.960 0.011 0.000 0.311 342 G HA3 0.632 4.598 3.960 0.011 0.000 0.311 342 G C -0.849 173.751 174.900 -0.500 0.000 1.270 342 G CA -0.676 44.273 45.100 -0.252 0.000 0.948 342 G HN 0.623 nan 8.290 nan 0.000 0.487 343 L N 2.394 123.336 121.223 -0.469 0.000 2.264 343 L HA 0.439 4.785 4.340 0.011 0.000 0.289 343 L C -0.940 175.743 176.870 -0.312 0.000 1.044 343 L CA -0.778 53.930 54.840 -0.220 0.000 0.807 343 L CB 0.941 42.980 42.059 -0.032 0.000 1.192 343 L HN 0.522 nan 8.230 nan 0.000 0.425 344 Y N 3.981 124.370 120.300 0.148 0.000 2.402 344 Y HA 0.415 4.972 4.550 0.011 0.000 0.325 344 Y C 0.102 176.219 175.900 0.363 0.000 1.009 344 Y CA -0.852 57.356 58.100 0.181 0.000 1.278 344 Y CB 1.337 39.741 38.460 -0.094 0.000 1.105 344 Y HN 0.413 nan 8.280 nan 0.000 0.476 345 L N 2.273 123.817 121.223 0.535 0.000 2.479 345 L HA 0.672 5.019 4.340 0.011 0.000 0.249 345 L C 0.757 177.854 176.870 0.379 0.000 1.178 345 L CA -0.876 54.225 54.840 0.435 0.000 0.811 345 L CB 0.557 42.791 42.059 0.291 0.000 1.187 345 L HN 0.597 nan 8.230 nan 0.000 0.480 346 A N -0.872 122.075 122.820 0.211 0.000 2.246 346 A HA 0.245 4.572 4.320 0.011 0.000 0.291 346 A C 0.778 178.268 177.584 -0.156 0.000 1.103 346 A CA -0.064 51.950 52.037 -0.038 0.000 0.844 346 A CB 0.087 19.061 19.000 -0.043 0.000 1.136 346 A HN 0.947 nan 8.150 nan 0.000 0.500 347 H N -1.295 117.637 119.070 -0.230 0.000 2.521 347 H HA 0.031 4.594 4.556 0.011 0.000 0.286 347 H C -0.076 175.154 175.328 -0.163 0.000 1.034 347 H CA 1.444 57.382 56.048 -0.183 0.000 1.278 347 H CB -0.221 29.391 29.762 -0.250 0.000 1.386 347 H HN 0.586 nan 8.280 nan 0.000 0.567 348 D N 0.273 120.306 120.400 -0.612 0.000 2.755 348 D HA 0.338 4.985 4.640 0.011 0.000 0.257 348 D C -0.018 176.152 176.300 -0.217 0.000 1.291 348 D CA -0.329 53.422 54.000 -0.416 0.000 0.836 348 D CB -0.014 40.451 40.800 -0.559 0.000 1.059 348 D HN 0.553 nan 8.370 nan 0.000 0.486 349 A N 1.004 123.728 122.820 -0.160 0.000 2.450 349 A HA 0.482 4.809 4.320 0.011 0.000 0.255 349 A C 1.039 178.573 177.584 -0.083 0.000 1.096 349 A CA -0.368 51.623 52.037 -0.077 0.000 0.778 349 A CB -0.042 18.939 19.000 -0.032 0.000 1.031 349 A HN 0.419 nan 8.150 nan 0.000 0.494 350 T N 0.917 115.446 114.554 -0.042 0.000 2.855 350 T HA 0.105 4.462 4.350 0.011 0.000 0.322 350 T C 1.102 175.776 174.700 -0.044 0.000 1.088 350 T CA 0.052 62.134 62.100 -0.031 0.000 1.104 350 T CB 0.222 69.085 68.868 -0.009 0.000 0.996 350 T HN 0.620 nan 8.240 nan 0.000 0.549 351 L N 1.066 122.275 121.223 -0.024 0.000 2.187 351 L HA -0.024 4.323 4.340 0.011 0.000 0.213 351 L C 2.397 179.246 176.870 -0.036 0.000 1.100 351 L CA 1.842 56.664 54.840 -0.030 0.000 0.765 351 L CB -0.856 41.221 42.059 0.029 0.000 0.904 351 L HN 0.816 nan 8.230 nan 0.000 0.437 352 E N -0.625 119.564 120.200 -0.018 0.000 2.051 352 E HA -0.133 4.224 4.350 0.011 0.000 0.189 352 E C 2.072 178.605 176.600 -0.111 0.000 0.979 352 E CA 1.075 57.457 56.400 -0.030 0.000 0.803 352 E CB -0.182 29.544 29.700 0.045 0.000 0.761 352 E HN 0.492 nan 8.360 nan 0.000 0.451 353 E N -0.023 120.138 120.200 -0.065 0.000 2.209 353 E HA -0.143 4.214 4.350 0.011 0.000 0.196 353 E C 1.923 178.468 176.600 -0.092 0.000 0.993 353 E CA 0.994 57.356 56.400 -0.062 0.000 0.819 353 E CB -0.147 29.556 29.700 0.006 0.000 0.745 353 E HN 0.359 nan 8.360 nan 0.000 0.477 354 G N 0.626 109.365 108.800 -0.102 0.000 2.492 354 G HA2 -0.137 3.830 3.960 0.011 0.000 0.214 354 G HA3 -0.137 3.830 3.960 0.011 0.000 0.214 354 G C 1.444 176.262 174.900 -0.136 0.000 1.147 354 G CA -0.113 44.929 45.100 -0.096 0.000 0.809 354 G HN 0.108 nan 8.290 nan 0.000 0.533 355 L N 0.514 121.623 121.223 -0.190 0.000 2.083 355 L HA 0.116 4.463 4.340 0.011 0.000 0.209 355 L C 2.465 179.095 176.870 -0.400 0.000 1.083 355 L CA 1.370 56.075 54.840 -0.225 0.000 0.752 355 L CB -0.591 41.366 42.059 -0.170 0.000 0.899 355 L HN 0.189 nan 8.230 nan 0.000 0.433 356 L N -0.080 120.768 121.223 -0.625 0.000 2.027 356 L HA -0.016 4.331 4.340 0.011 0.000 0.206 356 L C 2.466 179.170 176.870 -0.277 0.000 1.074 356 L CA 2.026 56.473 54.840 -0.656 0.000 0.745 356 L CB -1.076 40.604 42.059 -0.633 0.000 0.898 356 L HN 0.247 nan 8.230 nan 0.000 0.433 357 A N -1.633 121.079 122.820 -0.180 0.000 2.070 357 A HA -0.190 4.136 4.320 0.011 0.000 0.220 357 A C 2.480 180.037 177.584 -0.045 0.000 1.159 357 A CA 1.734 53.722 52.037 -0.082 0.000 0.656 357 A CB -0.887 18.107 19.000 -0.009 0.000 0.800 357 A HN 0.582 nan 8.150 nan 0.000 0.453 358 S N -0.519 115.146 115.700 -0.058 0.000 2.329 358 S HA -0.141 4.336 4.470 0.011 0.000 0.215 358 S C 1.934 176.529 174.600 -0.008 0.000 1.031 358 S CA 1.339 59.530 58.200 -0.014 0.000 0.985 358 S CB -0.372 62.820 63.200 -0.013 0.000 0.917 358 S HN 0.526 nan 8.310 nan 0.000 0.441 359 E N 1.196 121.383 120.200 -0.022 0.000 2.097 359 E HA -0.150 4.207 4.350 0.011 0.000 0.196 359 E C 2.089 178.700 176.600 0.018 0.000 1.000 359 E CA 1.019 57.434 56.400 0.025 0.000 0.804 359 E CB -0.840 28.912 29.700 0.087 0.000 0.740 359 E HN 0.505 nan 8.360 nan 0.000 0.454 360 L N 0.905 122.118 121.223 -0.016 0.000 1.989 360 L HA -0.109 4.237 4.340 0.011 0.000 0.211 360 L C 2.174 179.040 176.870 -0.006 0.000 1.071 360 L CA 2.345 57.177 54.840 -0.014 0.000 0.749 360 L CB -0.689 41.341 42.059 -0.047 0.000 0.890 360 L HN 0.069 nan 8.230 nan 0.000 0.431 361 A N -1.328 121.489 122.820 -0.006 0.000 2.168 361 A HA -0.146 4.180 4.320 0.011 0.000 0.215 361 A C 2.314 179.909 177.584 0.018 0.000 1.152 361 A CA 1.471 53.511 52.037 0.005 0.000 0.716 361 A CB -0.517 18.492 19.000 0.014 0.000 0.794 361 A HN 0.543 nan 8.150 nan 0.000 0.465 362 K N -0.213 120.200 120.400 0.022 0.000 1.991 362 K HA 0.103 4.430 4.320 0.011 0.000 0.208 362 K C 2.261 178.876 176.600 0.025 0.000 1.038 362 K CA 0.920 57.224 56.287 0.029 0.000 0.943 362 K CB -0.355 32.167 32.500 0.036 0.000 0.736 362 K HN 0.252 nan 8.250 nan 0.000 0.440 363 A N 1.658 124.493 122.820 0.025 0.000 1.892 363 A HA -0.149 4.178 4.320 0.011 0.000 0.218 363 A C 1.449 179.040 177.584 0.013 0.000 1.188 363 A CA 1.132 53.181 52.037 0.021 0.000 0.631 363 A CB -0.667 18.348 19.000 0.025 0.000 0.822 363 A HN 0.460 nan 8.150 nan 0.000 0.447 364 L N 1.273 122.501 121.223 0.008 0.000 2.395 364 L HA 0.121 4.468 4.340 0.011 0.000 0.268 364 L C -0.481 176.389 176.870 -0.000 0.000 1.223 364 L CA -0.444 54.396 54.840 0.001 0.000 1.093 364 L CB -0.164 41.892 42.059 -0.005 0.000 1.349 364 L HN 0.228 nan 8.230 nan 0.000 0.427 365 K N 3.273 123.675 120.400 0.003 0.000 2.320 365 K HA -0.012 4.315 4.320 0.011 0.000 0.269 365 K C 0.018 176.615 176.600 -0.006 0.000 1.182 365 K CA 0.377 56.667 56.287 0.005 0.000 1.190 365 K CB -0.120 32.385 32.500 0.007 0.000 0.850 365 K HN 0.474 nan 8.250 nan 0.000 0.467 366 T N 2.266 116.821 114.554 0.002 0.000 2.868 366 T HA 0.469 4.826 4.350 0.011 0.000 0.306 366 T C -2.634 172.094 174.700 0.046 0.000 1.224 366 T CA -1.333 60.759 62.100 -0.013 0.000 1.012 366 T CB 1.762 70.603 68.868 -0.046 0.000 1.221 366 T HN 0.365 nan 8.240 nan 0.000 0.499 367 P HA 0.380 nan 4.420 nan 0.000 0.346 367 P C -0.557 176.945 177.300 0.337 0.000 1.623 367 P CA -0.190 63.025 63.100 0.192 0.000 1.506 367 P CB -0.185 31.630 31.700 0.192 0.000 1.701 368 H N 0.560 119.646 119.070 0.027 0.000 2.505 368 H HA 0.319 4.882 4.556 0.011 0.000 0.260 368 H C -0.505 174.762 175.328 -0.101 0.000 1.232 368 H CA -0.596 55.458 56.048 0.011 0.000 0.991 368 H CB 0.768 30.513 29.762 -0.029 0.000 1.729 368 H HN 0.039 nan 8.280 nan 0.000 0.561 369 L N 1.518 122.812 121.223 0.119 0.000 2.318 369 L HA 0.388 4.735 4.340 0.011 0.000 0.277 369 L C -1.151 175.860 176.870 0.234 0.000 1.008 369 L CA -0.289 54.609 54.840 0.097 0.000 0.846 369 L CB 1.251 43.369 42.059 0.098 0.000 1.220 369 L HN 0.115 nan 8.230 nan 0.000 0.423 370 D N 2.939 123.566 120.400 0.380 0.000 2.552 370 D HA 0.580 5.227 4.640 0.011 0.000 0.239 370 D C -1.441 175.144 176.300 0.475 0.000 1.139 370 D CA -0.200 54.054 54.000 0.423 0.000 0.914 370 D CB 1.714 42.812 40.800 0.496 0.000 1.461 370 D HN 0.263 nan 8.370 nan 0.000 0.462 371 F N 0.167 120.260 119.950 0.237 0.000 2.495 371 F HA 0.394 4.928 4.527 0.011 0.000 0.327 371 F C 1.380 177.001 175.800 -0.297 0.000 1.103 371 F CA -0.854 57.180 58.000 0.056 0.000 0.949 371 F CB 1.361 40.364 39.000 0.005 0.000 1.142 371 F HN 0.391 nan 8.300 nan 0.000 0.457 372 Q N 2.413 121.944 119.800 -0.448 0.000 2.242 372 Q HA -0.179 4.168 4.340 0.011 0.000 0.211 372 Q C 1.602 176.601 176.000 -1.670 0.000 0.992 372 Q CA 2.540 57.521 55.803 -1.370 0.000 0.889 372 Q CB -0.454 27.230 28.738 -1.756 0.000 0.913 372 Q HN 1.164 nan 8.270 nan 0.000 0.422 373 G N 0.208 108.530 108.800 -0.796 0.000 2.595 373 G HA2 -0.065 3.902 3.960 0.011 0.000 0.213 373 G HA3 -0.065 3.902 3.960 0.011 0.000 0.213 373 G C 0.361 174.969 174.900 -0.487 0.000 1.141 373 G CA -0.369 44.372 45.100 -0.598 0.000 0.806 373 G HN 0.236 nan 8.290 nan 0.000 0.530 374 R N 1.724 121.755 120.500 -0.782 0.000 2.478 374 R HA -0.058 4.289 4.340 0.011 0.000 0.277 374 R C 0.081 176.368 176.300 -0.021 0.000 0.913 374 R CA 1.219 56.922 56.100 -0.663 0.000 1.125 374 R CB -0.067 29.691 30.300 -0.904 0.000 0.863 374 R HN 0.314 nan 8.270 nan 0.000 0.426 375 T N 0.867 115.440 114.554 0.033 0.000 2.929 375 T HA 0.472 4.829 4.350 0.011 0.000 0.284 375 T C 1.384 176.145 174.700 0.101 0.000 1.014 375 T CA -0.394 61.770 62.100 0.107 0.000 1.051 375 T CB 1.924 70.856 68.868 0.106 0.000 1.028 375 T HN 0.584 nan 8.240 nan 0.000 0.485 376 A N 2.132 125.011 122.820 0.097 0.000 1.927 376 A HA 0.256 4.583 4.320 0.011 0.000 0.220 376 A C 1.565 179.196 177.584 0.079 0.000 1.185 376 A CA 1.490 53.571 52.037 0.073 0.000 0.639 376 A CB -1.200 17.837 19.000 0.063 0.000 0.820 376 A HN 1.510 nan 8.150 nan 0.000 0.451 377 A N -0.177 122.707 122.820 0.105 0.000 2.258 377 A HA 0.609 4.936 4.320 0.011 0.000 0.316 377 A C -2.767 174.914 177.584 0.163 0.000 1.279 377 A CA -1.911 50.200 52.037 0.123 0.000 0.876 377 A CB 0.309 19.401 19.000 0.154 0.000 1.170 377 A HN 0.134 nan 8.150 nan 0.000 0.520 378 P HA 0.015 nan 4.420 nan 0.000 0.258 378 P C 0.974 178.412 177.300 0.231 0.000 1.172 378 P CA 0.838 64.040 63.100 0.170 0.000 0.762 378 P CB 0.774 32.545 31.700 0.117 0.000 0.764 379 A N 3.486 126.464 122.820 0.264 0.000 2.070 379 A HA -0.143 4.184 4.320 0.011 0.000 0.220 379 A C 1.854 179.632 177.584 0.324 0.000 1.159 379 A CA 1.532 53.752 52.037 0.306 0.000 0.656 379 A CB -0.904 18.222 19.000 0.210 0.000 0.800 379 A HN 0.476 nan 8.150 nan 0.000 0.453 380 S N 0.034 115.879 115.700 0.243 0.000 2.660 380 S HA 0.081 4.558 4.470 0.011 0.000 0.223 380 S C 1.381 176.008 174.600 0.044 0.000 0.963 380 S CA -0.033 58.275 58.200 0.180 0.000 0.932 380 S CB -0.099 63.239 63.200 0.229 0.000 0.775 380 S HN 0.406 nan 8.310 nan 0.000 0.531 381 L N 0.709 121.948 121.223 0.028 0.000 2.109 381 L HA 0.241 4.588 4.340 0.011 0.000 0.207 381 L C -0.070 176.568 176.870 -0.386 0.000 1.086 381 L CA 1.447 56.112 54.840 -0.292 0.000 0.760 381 L CB -0.729 40.973 42.059 -0.594 0.000 0.910 381 L HN 0.216 nan 8.230 nan 0.000 0.437 382 F N 1.028 120.993 119.950 0.024 0.000 2.422 382 F HA 0.404 4.938 4.527 0.011 0.000 0.333 382 F C -1.738 174.082 175.800 0.033 0.000 1.095 382 F CA -3.323 54.695 58.000 0.031 0.000 1.038 382 F CB -0.285 38.739 39.000 0.041 0.000 1.156 382 F HN -0.053 nan 8.300 nan 0.000 0.483 383 P HA 0.121 nan 4.420 nan 0.000 0.269 383 P C -2.642 174.734 177.300 0.127 0.000 1.252 383 P CA -1.154 62.020 63.100 0.124 0.000 0.780 383 P CB 0.123 31.880 31.700 0.094 0.000 0.829 384 P HA 0.034 nan 4.420 nan 0.000 0.262 384 P C -0.193 177.144 177.300 0.062 0.000 1.182 384 P CA 0.649 63.800 63.100 0.086 0.000 0.761 384 P CB 0.324 32.073 31.700 0.082 0.000 0.795 385 A N 3.153 126.000 122.820 0.045 0.000 2.305 385 A HA 0.461 4.787 4.320 0.011 0.000 0.322 385 A C 0.453 178.045 177.584 0.013 0.000 1.187 385 A CA -0.443 51.610 52.037 0.027 0.000 0.825 385 A CB 0.508 19.519 19.000 0.018 0.000 1.164 385 A HN 0.441 nan 8.150 nan 0.000 0.498 386 S N 1.190 116.896 115.700 0.011 0.000 2.552 386 S HA 0.041 4.518 4.470 0.011 0.000 0.289 386 S C 1.100 175.696 174.600 -0.006 0.000 1.304 386 S CA -0.340 57.863 58.200 0.005 0.000 1.063 386 S CB -0.048 63.156 63.200 0.007 0.000 0.848 386 S HN 0.828 nan 8.310 nan 0.000 0.499 387 L N 4.438 125.658 121.223 -0.005 0.000 2.362 387 L HA 0.041 4.388 4.340 0.011 0.000 0.219 387 L C 2.256 179.119 176.870 -0.013 0.000 1.134 387 L CA 1.931 56.763 54.840 -0.012 0.000 0.807 387 L CB -0.547 41.511 42.059 -0.002 0.000 0.927 387 L HN 0.937 nan 8.230 nan 0.000 0.447 388 E N -1.359 118.840 120.200 -0.002 0.000 2.230 388 E HA -0.165 4.192 4.350 0.011 0.000 0.192 388 E C 1.229 177.831 176.600 0.003 0.000 0.987 388 E CA 0.650 57.054 56.400 0.008 0.000 0.841 388 E CB 0.089 29.797 29.700 0.015 0.000 0.783 388 E HN 0.447 nan 8.360 nan 0.000 0.481 389 D N 1.028 121.422 120.400 -0.009 0.000 2.178 389 D HA -0.156 4.491 4.640 0.011 0.000 0.201 389 D C 1.917 178.189 176.300 -0.047 0.000 0.980 389 D CA 0.506 54.497 54.000 -0.014 0.000 0.842 389 D CB -0.156 40.637 40.800 -0.013 0.000 0.948 389 D HN 0.223 nan 8.370 nan 0.000 0.472 390 L N 0.705 121.869 121.223 -0.098 0.000 2.079 390 L HA -0.110 4.237 4.340 0.011 0.000 0.210 390 L C 2.046 178.787 176.870 -0.214 0.000 1.081 390 L CA 1.329 56.020 54.840 -0.249 0.000 0.752 390 L CB -0.607 41.290 42.059 -0.271 0.000 0.896 390 L HN 0.040 nan 8.230 nan 0.000 0.433 391 L N -1.011 120.205 121.223 -0.012 0.000 2.083 391 L HA -0.201 4.146 4.340 0.011 0.000 0.209 391 L C 2.268 179.255 176.870 0.195 0.000 1.083 391 L CA 1.199 56.130 54.840 0.150 0.000 0.752 391 L CB -0.503 41.618 42.059 0.104 0.000 0.899 391 L HN 0.412 nan 8.230 nan 0.000 0.433 392 Q N -0.176 119.686 119.800 0.103 0.000 2.403 392 Q HA 0.206 4.553 4.340 0.011 0.000 0.203 392 Q C 0.800 176.867 176.000 0.113 0.000 0.932 392 Q CA 0.032 55.893 55.803 0.097 0.000 0.945 392 Q CB 0.284 29.055 28.738 0.054 0.000 1.045 392 Q HN 0.431 nan 8.270 nan 0.000 0.511 393 A N 1.223 124.127 122.820 0.140 0.000 2.267 393 A HA 0.085 4.412 4.320 0.011 0.000 0.271 393 A C 0.391 178.140 177.584 0.275 0.000 1.131 393 A CA -0.108 52.014 52.037 0.142 0.000 0.818 393 A CB 0.403 19.409 19.000 0.011 0.000 1.118 393 A HN 0.049 nan 8.150 nan 0.000 0.501 394 D N -2.306 118.234 120.400 0.234 0.000 2.482 394 D HA 0.247 4.893 4.640 0.011 0.000 0.251 394 D C -0.795 175.731 176.300 0.378 0.000 1.073 394 D CA 0.877 55.016 54.000 0.232 0.000 0.892 394 D CB 0.622 41.496 40.800 0.123 0.000 1.202 394 D HN 0.312 nan 8.370 nan 0.000 0.496 395 F N 0.643 120.713 119.950 0.200 0.000 2.631 395 F HA 0.559 5.093 4.527 0.012 0.000 0.308 395 F C -1.770 174.184 175.800 0.256 0.000 1.097 395 F CA -1.153 56.996 58.000 0.247 0.000 0.952 395 F CB 1.797 40.885 39.000 0.146 0.000 1.307 395 F HN -0.206 nan 8.300 nan 0.000 0.450 396 A N 5.003 127.461 122.820 -0.603 0.000 2.310 396 A HA 0.650 4.977 4.320 0.011 0.000 0.304 396 A C -2.104 175.239 177.584 -0.401 0.000 1.231 396 A CA -0.551 51.277 52.037 -0.348 0.000 0.799 396 A CB 0.788 19.650 19.000 -0.229 0.000 1.162 396 A HN 0.669 nan 8.150 nan 0.000 0.486 397 L N 4.290 125.574 121.223 0.102 0.000 2.261 397 L HA 0.588 4.935 4.340 0.011 0.000 0.289 397 L C -0.795 176.139 176.870 0.107 0.000 1.059 397 L CA -0.019 54.963 54.840 0.238 0.000 0.816 397 L CB 1.060 43.352 42.059 0.389 0.000 1.191 397 L HN 0.377 nan 8.230 nan 0.000 0.431 398 V N 6.789 126.757 119.914 0.089 0.000 2.444 398 V HA 0.461 4.588 4.120 0.011 0.000 0.294 398 V C -0.610 175.551 176.094 0.111 0.000 1.022 398 V CA -0.530 61.800 62.300 0.051 0.000 0.850 398 V CB 1.683 33.504 31.823 -0.004 0.000 0.992 398 V HN 0.471 nan 8.190 nan 0.000 0.426 399 L N 5.095 126.364 121.223 0.078 0.000 2.388 399 L HA 0.933 5.280 4.340 0.011 0.000 0.267 399 L C 0.443 177.358 176.870 0.075 0.000 0.995 399 L CA 0.592 55.496 54.840 0.106 0.000 0.864 399 L CB 1.219 43.307 42.059 0.049 0.000 1.216 399 L HN 0.995 nan 8.230 nan 0.000 0.430 400 G N 1.786 110.642 108.800 0.094 0.000 2.353 400 G HA2 0.065 4.031 3.960 0.011 0.000 0.615 400 G HA3 0.065 4.031 3.960 0.011 0.000 0.615 400 G C -1.762 173.144 174.900 0.010 0.000 1.280 400 G CA -0.906 44.232 45.100 0.062 0.000 1.000 400 G HN 0.369 nan 8.290 nan 0.000 0.516 401 D N 0.546 120.953 120.400 0.013 0.000 2.464 401 D HA 0.590 5.237 4.640 0.011 0.000 0.243 401 D C -1.164 175.164 176.300 0.047 0.000 1.104 401 D CA -2.159 51.841 54.000 0.001 0.000 0.883 401 D CB 1.788 42.597 40.800 0.015 0.000 1.050 401 D HN -0.009 nan 8.370 nan 0.000 0.524 402 P HA -0.106 nan 4.420 nan 0.000 0.219 402 P C 1.286 178.664 177.300 0.129 0.000 1.146 402 P CA 0.983 64.124 63.100 0.068 0.000 0.808 402 P CB 0.390 32.124 31.700 0.057 0.000 0.779 403 T N -0.507 114.151 114.554 0.173 0.000 2.708 403 T HA -0.124 4.233 4.350 0.011 0.000 0.266 403 T C 1.579 176.346 174.700 0.112 0.000 1.037 403 T CA 1.308 63.544 62.100 0.227 0.000 1.146 403 T CB -0.426 68.601 68.868 0.264 0.000 0.865 403 T HN 0.172 nan 8.240 nan 0.000 0.435 404 E N 0.876 121.133 120.200 0.096 0.000 2.086 404 E HA 0.019 4.375 4.350 0.011 0.000 0.190 404 E C 2.272 178.872 176.600 -0.000 0.000 0.975 404 E CA 0.810 57.239 56.400 0.048 0.000 0.813 404 E CB -0.157 29.599 29.700 0.094 0.000 0.768 404 E HN 0.593 nan 8.360 nan 0.000 0.457 405 E N 0.647 120.855 120.200 0.014 0.000 2.033 405 E HA 0.049 4.406 4.350 0.011 0.000 0.189 405 E C 0.498 177.084 176.600 -0.023 0.000 0.979 405 E CA 0.970 57.358 56.400 -0.019 0.000 0.802 405 E CB 0.225 29.919 29.700 -0.009 0.000 0.763 405 E HN 0.051 nan 8.360 nan 0.000 0.449 406 A N 0.843 123.669 122.820 0.011 0.000 3.159 406 A HA 0.310 4.636 4.320 0.011 0.000 0.330 406 A C -2.211 175.418 177.584 0.075 0.000 1.032 406 A CA -1.192 50.856 52.037 0.019 0.000 0.841 406 A CB 0.331 19.337 19.000 0.011 0.000 1.093 406 A HN -0.080 nan 8.150 nan 0.000 0.478 407 P HA -0.248 nan 4.420 nan 0.000 0.219 407 P C 1.289 178.796 177.300 0.344 0.000 1.158 407 P CA 1.349 64.576 63.100 0.213 0.000 0.895 407 P CB 0.175 31.921 31.700 0.076 0.000 0.792 408 I N -1.780 118.928 120.570 0.229 0.000 2.756 408 I HA -0.149 4.028 4.170 0.011 0.000 0.262 408 I C 2.130 178.317 176.117 0.117 0.000 1.225 408 I CA 0.937 62.343 61.300 0.178 0.000 1.472 408 I CB -0.708 37.378 38.000 0.142 0.000 1.094 408 I HN -0.100 nan 8.210 nan 0.000 0.454 409 L N -0.783 120.512 121.223 0.120 0.000 2.131 409 L HA -0.275 4.072 4.340 0.011 0.000 0.210 409 L C 2.455 179.395 176.870 0.117 0.000 1.092 409 L CA 1.520 56.411 54.840 0.085 0.000 0.759 409 L CB -0.790 41.303 42.059 0.058 0.000 0.903 409 L HN 0.397 nan 8.230 nan 0.000 0.435 410 H N 0.219 119.324 119.070 0.058 0.000 2.387 410 H HA -0.157 4.405 4.556 0.011 0.000 0.299 410 H C 2.175 177.484 175.328 -0.032 0.000 1.099 410 H CA 1.418 57.498 56.048 0.053 0.000 1.315 410 H CB 0.182 30.016 29.762 0.119 0.000 1.380 410 H HN 0.243 nan 8.280 nan 0.000 0.513 411 L N -0.400 120.847 121.223 0.040 0.000 2.418 411 L HA -0.007 4.339 4.340 0.011 0.000 0.218 411 L C 2.410 179.265 176.870 -0.025 0.000 1.125 411 L CA 0.145 54.921 54.840 -0.107 0.000 0.835 411 L CB -0.103 41.789 42.059 -0.279 0.000 0.953 411 L HN 0.213 nan 8.230 nan 0.000 0.454 412 R N 0.421 120.937 120.500 0.027 0.000 2.057 412 R HA 0.058 4.405 4.340 0.011 0.000 0.224 412 R C 2.224 178.567 176.300 0.072 0.000 1.136 412 R CA 0.952 57.075 56.100 0.038 0.000 0.968 412 R CB -0.774 29.538 30.300 0.021 0.000 0.863 412 R HN 0.293 nan 8.270 nan 0.000 0.433 413 L N 1.017 122.290 121.223 0.084 0.000 2.189 413 L HA -0.218 4.129 4.340 0.011 0.000 0.214 413 L C 2.607 179.550 176.870 0.122 0.000 1.097 413 L CA 1.471 56.418 54.840 0.178 0.000 0.764 413 L CB -0.564 41.589 42.059 0.156 0.000 0.900 413 L HN 0.236 nan 8.230 nan 0.000 0.436 414 S N -0.024 115.683 115.700 0.012 0.000 2.343 414 S HA -0.224 4.252 4.470 0.011 0.000 0.219 414 S C 1.850 176.317 174.600 -0.222 0.000 1.033 414 S CA 1.596 59.637 58.200 -0.264 0.000 1.014 414 S CB -0.118 62.969 63.200 -0.189 0.000 0.915 414 S HN 0.461 nan 8.310 nan 0.000 0.435 415 E N -0.194 119.962 120.200 -0.073 0.000 2.058 415 E HA -0.154 4.203 4.350 0.011 0.000 0.194 415 E C 1.858 178.467 176.600 0.015 0.000 0.997 415 E CA 1.469 57.858 56.400 -0.019 0.000 0.801 415 E CB -0.413 29.315 29.700 0.047 0.000 0.746 415 E HN 0.656 nan 8.360 nan 0.000 0.450 416 F N 1.758 121.659 119.950 -0.081 0.000 2.063 416 F HA -0.263 4.271 4.527 0.011 0.000 0.298 416 F C 2.222 177.965 175.800 -0.094 0.000 1.109 416 F CA 1.266 59.226 58.000 -0.067 0.000 1.212 416 F CB -0.672 38.297 39.000 -0.053 0.000 0.973 416 F HN -0.210 nan 8.300 nan 0.000 0.480 417 V N 0.798 120.514 119.914 -0.330 0.000 2.688 417 V HA -0.266 3.860 4.120 0.011 0.000 0.256 417 V C 2.134 177.996 176.094 -0.388 0.000 1.084 417 V CA 2.134 64.156 62.300 -0.463 0.000 1.103 417 V CB -0.684 30.900 31.823 -0.398 0.000 0.688 417 V HN 0.331 nan 8.190 nan 0.000 0.480 418 R N -0.747 119.574 120.500 -0.298 0.000 2.359 418 R HA 0.127 4.473 4.340 0.011 0.000 0.231 418 R C 0.485 176.692 176.300 -0.155 0.000 0.913 418 R CA 0.220 56.189 56.100 -0.218 0.000 1.075 418 R CB 0.106 30.296 30.300 -0.183 0.000 1.087 418 R HN 0.374 nan 8.270 nan 0.000 0.515 419 D N 0.314 120.605 120.400 -0.180 0.000 3.059 419 D HA -0.167 4.480 4.640 0.011 0.000 0.220 419 D C -0.789 175.489 176.300 -0.036 0.000 1.169 419 D CA 0.874 54.806 54.000 -0.113 0.000 0.902 419 D CB -0.940 39.801 40.800 -0.098 0.000 1.116 419 D HN 0.230 nan 8.370 nan 0.000 0.417 420 L N -0.054 121.157 121.223 -0.020 0.000 2.462 420 L HA 0.198 4.545 4.340 0.011 0.000 0.272 420 L C 0.954 177.860 176.870 0.061 0.000 1.166 420 L CA 0.627 55.484 54.840 0.028 0.000 0.880 420 L CB 0.553 42.636 42.059 0.040 0.000 1.142 420 L HN -0.096 nan 8.230 nan 0.000 0.473 421 K N 3.874 124.313 120.400 0.065 0.000 2.328 421 K HA 0.480 4.807 4.320 0.011 0.000 0.246 421 K C -2.438 174.210 176.600 0.080 0.000 0.955 421 K CA -1.894 54.437 56.287 0.074 0.000 0.817 421 K CB 1.528 34.063 32.500 0.059 0.000 1.208 421 K HN 0.217 nan 8.250 nan 0.000 0.432 422 P HA -0.067 nan 4.420 nan 0.000 0.259 422 P C -2.343 175.003 177.300 0.076 0.000 1.163 422 P CA -0.420 62.726 63.100 0.078 0.000 0.760 422 P CB -0.289 31.442 31.700 0.053 0.000 0.762 423 P HA 0.072 nan 4.420 nan 0.000 0.274 423 P C -0.376 176.952 177.300 0.047 0.000 1.231 423 P CA -0.104 63.054 63.100 0.097 0.000 0.790 423 P CB 0.504 32.274 31.700 0.117 0.000 0.951 424 H N 1.762 120.791 119.070 -0.068 0.000 2.815 424 H HA 0.174 4.736 4.556 0.011 0.000 0.350 424 H C 0.204 175.329 175.328 -0.338 0.000 1.080 424 H CA 0.294 56.209 56.048 -0.221 0.000 1.433 424 H CB 0.545 30.113 29.762 -0.323 0.000 1.432 424 H HN 0.216 nan 8.280 nan 0.000 0.592 425 R N 3.987 123.937 120.500 -0.916 0.000 2.312 425 R HA 0.211 4.558 4.340 0.011 0.000 0.311 425 R C -0.873 175.022 176.300 -0.675 0.000 1.004 425 R CA -0.460 55.292 56.100 -0.580 0.000 0.902 425 R CB 0.675 30.765 30.300 -0.350 0.000 1.073 425 R HN 0.590 nan 8.270 nan 0.000 0.457 426 Y N 0.412 120.570 120.300 -0.235 0.000 2.654 426 Y HA 0.200 4.758 4.550 0.012 0.000 0.328 426 Y C 1.506 177.389 175.900 -0.028 0.000 1.174 426 Y CA -0.926 57.142 58.100 -0.053 0.000 1.293 426 Y CB 0.539 38.897 38.460 -0.169 0.000 1.464 426 Y HN 0.482 nan 8.280 nan 0.000 0.559 427 N N 0.265 119.201 118.700 0.393 0.000 2.289 427 N HA -0.162 4.585 4.740 0.011 0.000 0.184 427 N C 1.140 176.688 175.510 0.063 0.000 1.016 427 N CA 1.325 54.411 53.050 0.060 0.000 0.872 427 N CB -0.254 38.109 38.487 -0.207 0.000 0.973 427 N HN 0.703 nan 8.380 nan 0.000 0.433 428 H N -2.109 116.997 119.070 0.061 0.000 2.586 428 H HA 0.394 4.958 4.556 0.012 0.000 0.273 428 H C 1.239 176.580 175.328 0.022 0.000 0.997 428 H CA 0.671 56.711 56.048 -0.014 0.000 1.177 428 H CB 0.257 29.924 29.762 -0.158 0.000 1.471 428 H HN 0.137 nan 8.280 nan 0.000 0.538 429 G N 0.943 109.613 108.800 -0.217 0.000 2.785 429 G HA2 -0.248 3.719 3.960 0.011 0.000 0.218 429 G HA3 -0.248 3.719 3.960 0.011 0.000 0.218 429 G C -0.572 174.272 174.900 -0.093 0.000 1.251 429 G CA -0.219 44.826 45.100 -0.092 0.000 1.129 429 G HN 0.401 nan 8.290 nan 0.000 0.573 430 T N 5.413 119.970 114.554 0.006 0.000 2.851 430 T HA 0.544 4.901 4.350 0.011 0.000 0.298 430 T C -2.004 172.739 174.700 0.072 0.000 0.977 430 T CA -0.101 62.021 62.100 0.037 0.000 1.126 430 T CB 1.499 70.382 68.868 0.025 0.000 0.916 430 T HN 0.514 nan 8.240 nan 0.000 0.529 431 P HA -0.006 nan 4.420 nan 0.000 0.266 431 P C 0.140 177.588 177.300 0.246 0.000 1.186 431 P CA -0.037 63.092 63.100 0.048 0.000 0.767 431 P CB 0.449 32.220 31.700 0.119 0.000 0.820 432 F N 0.762 120.752 119.950 0.066 0.000 2.698 432 F HA 0.291 4.824 4.527 0.011 0.000 0.295 432 F C 1.434 177.258 175.800 0.041 0.000 1.124 432 F CA -0.413 57.611 58.000 0.039 0.000 1.426 432 F CB -0.695 38.341 39.000 0.060 0.000 1.120 432 F HN 0.282 nan 8.300 nan 0.000 0.583 433 A N 0.263 123.204 122.820 0.202 0.000 2.745 433 A HA 0.392 4.719 4.320 0.011 0.000 0.301 433 A C -1.263 176.370 177.584 0.082 0.000 1.188 433 A CA -0.514 51.598 52.037 0.126 0.000 0.746 433 A CB 0.040 19.105 19.000 0.108 0.000 1.207 433 A HN -0.077 nan 8.150 nan 0.000 0.432 434 D N 2.883 123.338 120.400 0.092 0.000 2.380 434 D HA 0.299 4.946 4.640 0.011 0.000 0.230 434 D C 1.037 177.385 176.300 0.080 0.000 1.154 434 D CA -0.500 53.556 54.000 0.093 0.000 0.859 434 D CB 0.829 41.688 40.800 0.099 0.000 1.045 434 D HN 0.284 nan 8.370 nan 0.000 0.495 435 L N 3.168 124.432 121.223 0.069 0.000 2.642 435 L HA -0.093 4.254 4.340 0.011 0.000 0.236 435 L C 1.962 178.862 176.870 0.049 0.000 1.169 435 L CA 0.962 55.834 54.840 0.053 0.000 0.851 435 L CB -1.116 40.968 42.059 0.042 0.000 0.968 435 L HN 0.628 nan 8.230 nan 0.000 0.453 436 Q N 0.836 120.671 119.800 0.059 0.000 2.049 436 Q HA -0.084 4.263 4.340 0.011 0.000 0.198 436 Q C 0.831 176.858 176.000 0.045 0.000 0.971 436 Q CA 0.643 56.477 55.803 0.051 0.000 0.833 436 Q CB 0.175 28.951 28.738 0.064 0.000 0.896 436 Q HN 0.446 nan 8.270 nan 0.000 0.434 437 I N 3.373 123.979 120.570 0.060 0.000 2.389 437 I HA 0.044 4.220 4.170 0.011 0.000 0.295 437 I C -0.108 176.038 176.117 0.048 0.000 1.117 437 I CA -0.148 61.186 61.300 0.057 0.000 1.317 437 I CB 0.208 38.261 38.000 0.088 0.000 1.431 437 I HN -0.062 nan 8.210 nan 0.000 0.521 438 K N 5.682 126.099 120.400 0.028 0.000 2.118 438 K HA 0.242 4.568 4.320 0.011 0.000 0.264 438 K C 0.089 176.703 176.600 0.025 0.000 1.000 438 K CA -0.553 55.749 56.287 0.026 0.000 0.929 438 K CB 1.151 33.659 32.500 0.013 0.000 1.021 438 K HN 0.556 nan 8.250 nan 0.000 0.463 439 E N 1.035 121.254 120.200 0.033 0.000 2.404 439 E HA -0.059 4.298 4.350 0.011 0.000 0.261 439 E C -0.293 176.317 176.600 0.018 0.000 1.074 439 E CA -0.048 56.374 56.400 0.036 0.000 0.917 439 E CB 0.396 30.126 29.700 0.049 0.000 0.965 439 E HN 0.454 nan 8.360 nan 0.000 0.433 440 R N 1.912 122.420 120.500 0.013 0.000 3.627 440 R HA -0.185 4.162 4.340 0.011 0.000 0.281 440 R C -0.431 175.856 176.300 -0.023 0.000 1.140 440 R CA 0.843 56.943 56.100 0.000 0.000 0.761 440 R CB -1.513 28.794 30.300 0.012 0.000 1.181 440 R HN 0.618 nan 8.270 nan 0.000 0.472 441 M N 1.730 121.307 119.600 -0.038 0.000 2.261 441 M HA 0.045 4.532 4.480 0.011 0.000 0.350 441 M C -1.422 174.826 176.300 -0.086 0.000 1.343 441 M CA -0.577 54.687 55.300 -0.060 0.000 1.003 441 M CB -0.020 32.534 32.600 -0.077 0.000 1.848 441 M HN -0.029 nan 8.290 nan 0.000 0.456 442 P HA 0.195 nan 4.420 nan 0.000 0.276 442 P C -1.105 176.116 177.300 -0.131 0.000 1.243 442 P CA 0.070 63.120 63.100 -0.083 0.000 0.768 442 P CB 0.406 32.073 31.700 -0.055 0.000 0.856 443 R N 2.946 123.345 120.500 -0.167 0.000 2.349 443 R HA 0.428 4.775 4.340 0.011 0.000 0.299 443 R C 0.467 176.665 176.300 -0.171 0.000 1.027 443 R CA -0.776 55.167 56.100 -0.261 0.000 0.958 443 R CB 1.318 31.338 30.300 -0.468 0.000 1.047 443 R HN 0.399 nan 8.270 nan 0.000 0.468 444 R N 0.974 121.363 120.500 -0.185 0.000 2.267 444 R HA 0.059 4.406 4.340 0.011 0.000 0.319 444 R C 0.666 176.931 176.300 -0.057 0.000 1.067 444 R CA 0.011 56.043 56.100 -0.115 0.000 0.936 444 R CB 0.850 31.066 30.300 -0.141 0.000 1.006 444 R HN 0.748 nan 8.270 nan 0.000 0.452 445 T N -2.378 112.180 114.554 0.006 0.000 3.107 445 T HA -0.038 4.319 4.350 0.011 0.000 0.249 445 T C 0.680 175.433 174.700 0.088 0.000 1.096 445 T CA 0.066 62.203 62.100 0.062 0.000 1.012 445 T CB 0.008 68.916 68.868 0.067 0.000 0.977 445 T HN 0.613 nan 8.240 nan 0.000 0.527 446 D N 0.325 120.771 120.400 0.077 0.000 2.424 446 D HA 0.132 4.779 4.640 0.011 0.000 0.220 446 D C 1.061 177.506 176.300 0.241 0.000 1.150 446 D CA -0.297 53.789 54.000 0.142 0.000 0.831 446 D CB 0.183 41.035 40.800 0.087 0.000 0.981 446 D HN 0.263 nan 8.370 nan 0.000 0.500 447 K N -0.266 120.229 120.400 0.159 0.000 2.402 447 K HA 0.260 4.587 4.320 0.011 0.000 0.204 447 K C 0.061 176.606 176.600 -0.093 0.000 1.056 447 K CA -0.148 56.223 56.287 0.140 0.000 1.069 447 K CB 0.975 33.352 32.500 -0.205 0.000 0.888 447 K HN 0.098 nan 8.250 nan 0.000 0.546 448 M N 0.331 119.866 119.600 -0.108 0.000 2.531 448 M HA 0.490 4.977 4.480 0.011 0.000 0.286 448 M C -2.091 174.133 176.300 -0.127 0.000 1.232 448 M CA -0.664 54.404 55.300 -0.388 0.000 0.877 448 M CB 2.348 34.910 32.600 -0.063 0.000 1.726 448 M HN -0.051 nan 8.290 nan 0.000 0.463 449 A N 3.623 126.351 122.820 -0.152 0.000 2.386 449 A HA 0.859 5.185 4.320 0.011 0.000 0.311 449 A C -2.090 175.420 177.584 -0.124 0.000 1.068 449 A CA -0.668 51.397 52.037 0.047 0.000 0.743 449 A CB 1.862 21.105 19.000 0.404 0.000 1.258 449 A HN 0.708 nan 8.150 nan 0.000 0.429 450 L N 1.854 122.855 121.223 -0.369 0.000 2.410 450 L HA 0.728 5.075 4.340 0.011 0.000 0.270 450 L C -1.970 174.553 176.870 -0.578 0.000 0.983 450 L CA -0.360 54.300 54.840 -0.300 0.000 0.822 450 L CB 1.477 43.435 42.059 -0.169 0.000 1.285 450 L HN 0.712 nan 8.230 nan 0.000 0.409 451 F N 3.515 123.506 119.950 0.068 0.000 2.902 451 F HA 0.657 5.190 4.527 0.012 0.000 0.368 451 F C 0.133 176.086 175.800 0.254 0.000 1.202 451 F CA -0.476 57.602 58.000 0.131 0.000 1.109 451 F CB 1.789 40.796 39.000 0.012 0.000 1.418 451 F HN 0.493 nan 8.300 nan 0.000 0.527 452 A N 3.331 126.326 122.820 0.291 0.000 2.422 452 A HA 0.745 5.072 4.320 0.011 0.000 0.302 452 A C -2.241 175.180 177.584 -0.271 0.000 1.041 452 A CA -1.741 50.325 52.037 0.048 0.000 0.708 452 A CB 1.625 20.500 19.000 -0.208 0.000 1.257 452 A HN 0.290 nan 8.150 nan 0.000 0.414 453 P HA -0.086 nan 4.420 nan 0.000 0.245 453 P C -0.525 176.977 177.300 0.336 0.000 1.203 453 P CA 1.680 64.621 63.100 -0.265 0.000 0.754 453 P CB -0.938 30.623 31.700 -0.232 0.000 0.896 454 Y N -4.526 115.836 120.300 0.104 0.000 2.764 454 Y HA 0.607 5.164 4.550 0.011 0.000 0.331 454 Y C 0.057 176.039 175.900 0.138 0.000 1.280 454 Y CA -2.272 55.954 58.100 0.209 0.000 1.065 454 Y CB 0.194 38.897 38.460 0.405 0.000 1.319 454 Y HN -0.445 nan 8.280 nan 0.000 0.453 455 R N 2.102 122.757 120.500 0.259 0.000 2.630 455 R HA 0.500 4.847 4.340 0.011 0.000 0.286 455 R C -0.546 175.795 176.300 0.068 0.000 1.391 455 R CA 0.492 56.663 56.100 0.119 0.000 1.027 455 R CB -0.832 29.534 30.300 0.109 0.000 1.099 455 R HN 0.854 nan 8.270 nan 0.000 0.525 456 A N 6.269 129.003 122.820 -0.143 0.000 2.425 456 A HA 0.305 4.632 4.320 0.011 0.000 0.249 456 A C -1.412 176.117 177.584 -0.092 0.000 1.084 456 A CA -1.313 50.595 52.037 -0.216 0.000 0.781 456 A CB 0.267 19.091 19.000 -0.294 0.000 1.019 456 A HN 0.654 nan 8.150 nan 0.000 0.490 457 P HA -0.209 nan 4.420 nan 0.000 0.218 457 P C 0.897 178.063 177.300 -0.224 0.000 1.165 457 P CA 1.482 64.558 63.100 -0.042 0.000 0.922 457 P CB -0.034 31.716 31.700 0.084 0.000 0.794 458 L N -2.305 118.760 121.223 -0.264 0.000 2.599 458 L HA 0.091 4.438 4.340 0.011 0.000 0.230 458 L C 2.155 178.802 176.870 -0.373 0.000 1.141 458 L CA 0.774 55.330 54.840 -0.473 0.000 0.877 458 L CB -1.040 40.798 42.059 -0.368 0.000 1.009 458 L HN -0.045 nan 8.230 nan 0.000 0.447 459 M N -0.974 118.458 119.600 -0.282 0.000 2.706 459 M HA -0.174 4.313 4.480 0.011 0.000 0.251 459 M C 1.785 177.879 176.300 -0.343 0.000 1.070 459 M CA 0.985 56.130 55.300 -0.259 0.000 1.073 459 M CB -0.192 32.280 32.600 -0.214 0.000 1.449 459 M HN 0.084 nan 8.290 nan 0.000 0.531 460 K N -0.096 120.071 120.400 -0.389 0.000 2.116 460 K HA -0.069 4.258 4.320 0.011 0.000 0.203 460 K C 1.115 177.646 176.600 -0.116 0.000 1.052 460 K CA 1.070 57.157 56.287 -0.332 0.000 0.952 460 K CB 0.056 32.289 32.500 -0.445 0.000 0.729 460 K HN 0.371 nan 8.250 nan 0.000 0.446 461 W N 0.324 121.554 121.300 -0.116 0.000 3.353 461 W HA 0.437 5.104 4.660 0.011 0.000 0.304 461 W C -0.347 176.124 176.519 -0.079 0.000 1.273 461 W CA -0.680 56.606 57.345 -0.097 0.000 1.773 461 W CB -0.830 28.566 29.460 -0.107 0.000 1.095 461 W HN -0.116 nan 8.180 nan 0.000 0.676 462 A N 0.104 122.964 122.820 0.067 0.000 2.409 462 A HA 0.679 5.005 4.320 0.011 0.000 0.300 462 A C 1.122 178.746 177.584 0.067 0.000 1.273 462 A CA 0.140 52.211 52.037 0.056 0.000 0.774 462 A CB 0.800 19.805 19.000 0.008 0.000 1.144 462 A HN 0.031 nan 8.150 nan 0.000 0.472 463 A N 3.117 126.005 122.820 0.114 0.000 1.883 463 A HA -0.023 4.304 4.320 0.011 0.000 0.217 463 A C 1.085 178.812 177.584 0.238 0.000 1.186 463 A CA 1.111 53.241 52.037 0.156 0.000 0.624 463 A CB -0.401 18.674 19.000 0.125 0.000 0.822 463 A HN 0.763 nan 8.150 nan 0.000 0.444 464 I N 2.620 123.292 120.570 0.170 0.000 2.352 464 I HA 0.102 4.279 4.170 0.011 0.000 0.303 464 I C -0.026 176.065 176.117 -0.042 0.000 1.194 464 I CA 0.444 61.805 61.300 0.102 0.000 1.518 464 I CB -1.715 36.390 38.000 0.176 0.000 1.489 464 I HN 0.509 nan 8.210 nan 0.000 0.702 465 H N 3.045 122.012 119.070 -0.172 0.000 2.689 465 H HA 0.769 5.332 4.556 0.012 0.000 0.346 465 H C -1.425 173.792 175.328 -0.185 0.000 1.037 465 H CA -0.836 55.039 56.048 -0.289 0.000 1.234 465 H CB 2.731 32.393 29.762 -0.166 0.000 1.572 465 H HN 0.336 nan 8.280 nan 0.000 0.524 466 E N 2.761 122.777 120.200 -0.306 0.000 2.331 466 E HA 0.360 4.717 4.350 0.011 0.000 0.275 466 E C -1.540 175.177 176.600 0.195 0.000 0.895 466 E CA -0.830 55.553 56.400 -0.028 0.000 0.753 466 E CB 2.510 32.289 29.700 0.132 0.000 1.216 466 E HN 0.464 nan 8.360 nan 0.000 0.434 467 V N 5.420 125.422 119.914 0.147 0.000 2.406 467 V HA 0.374 4.501 4.120 0.011 0.000 0.272 467 V C 0.047 176.246 176.094 0.174 0.000 1.043 467 V CA -0.259 62.126 62.300 0.141 0.000 0.915 467 V CB 0.136 32.018 31.823 0.098 0.000 0.988 467 V HN 0.767 nan 8.190 nan 0.000 0.466 468 H N 3.516 122.666 119.070 0.133 0.000 2.858 468 H HA 0.813 5.375 4.556 0.011 0.000 0.318 468 H C -0.200 175.198 175.328 0.116 0.000 1.419 468 H CA -1.247 54.861 56.048 0.101 0.000 1.373 468 H CB 1.071 30.878 29.762 0.074 0.000 1.915 468 H HN 0.416 nan 8.280 nan 0.000 0.704 469 R N -0.011 120.595 120.500 0.177 0.000 2.573 469 R HA 0.329 4.676 4.340 0.011 0.000 0.272 469 R C -2.564 173.794 176.300 0.095 0.000 1.009 469 R CA -1.987 54.203 56.100 0.151 0.000 1.059 469 R CB 0.792 31.225 30.300 0.223 0.000 1.112 469 R HN 0.486 nan 8.270 nan 0.000 0.517 470 P HA 0.009 nan 4.420 nan 0.000 0.268 470 P C 0.391 177.619 177.300 -0.120 0.000 1.205 470 P CA 0.610 63.531 63.100 -0.299 0.000 0.771 470 P CB 0.664 32.043 31.700 -0.535 0.000 0.858 471 G N 2.363 111.121 108.800 -0.069 0.000 2.196 471 G HA2 -0.357 3.610 3.960 0.011 0.000 0.268 471 G HA3 -0.357 3.610 3.960 0.011 0.000 0.268 471 G C 0.835 175.742 174.900 0.013 0.000 0.975 471 G CA 0.468 45.566 45.100 -0.003 0.000 0.648 471 G HN 0.603 nan 8.290 nan 0.000 0.538 472 E N 0.838 121.072 120.200 0.056 0.000 2.416 472 E HA 0.114 4.471 4.350 0.011 0.000 0.189 472 E C 2.154 178.718 176.600 -0.061 0.000 1.091 472 E CA 0.671 57.095 56.400 0.039 0.000 0.889 472 E CB -0.066 29.701 29.700 0.112 0.000 1.015 472 E HN 0.803 nan 8.360 nan 0.000 0.479 473 E N 0.462 120.603 120.200 -0.097 0.000 2.318 473 E HA -0.151 4.206 4.350 0.011 0.000 0.193 473 E C 1.846 178.355 176.600 -0.152 0.000 0.998 473 E CA 0.040 56.305 56.400 -0.225 0.000 0.859 473 E CB -0.212 29.375 29.700 -0.188 0.000 0.812 473 E HN 0.238 nan 8.360 nan 0.000 0.492 474 R N 1.728 122.179 120.500 -0.082 0.000 2.159 474 R HA -0.151 4.196 4.340 0.011 0.000 0.237 474 R C 1.352 177.604 176.300 -0.081 0.000 1.131 474 R CA 1.746 57.809 56.100 -0.062 0.000 0.982 474 R CB -0.322 29.960 30.300 -0.031 0.000 0.868 474 R HN 0.240 nan 8.270 nan 0.000 0.453 475 E N 0.935 121.077 120.200 -0.096 0.000 2.140 475 E HA 0.038 4.395 4.350 0.011 0.000 0.191 475 E C 2.176 178.689 176.600 -0.145 0.000 0.973 475 E CA 0.761 57.102 56.400 -0.098 0.000 0.829 475 E CB -0.039 29.615 29.700 -0.077 0.000 0.781 475 E HN 0.349 nan 8.360 nan 0.000 0.466 476 I N 1.038 121.481 120.570 -0.212 0.000 2.286 476 I HA -0.265 3.911 4.170 0.011 0.000 0.248 476 I C 2.101 178.051 176.117 -0.278 0.000 1.115 476 I CA 0.911 62.027 61.300 -0.307 0.000 1.392 476 I CB -0.244 37.461 38.000 -0.492 0.000 1.065 476 I HN 0.079 nan 8.210 nan 0.000 0.418 477 L N 0.242 121.332 121.223 -0.222 0.000 2.056 477 L HA -0.172 4.175 4.340 0.011 0.000 0.207 477 L C 2.440 179.224 176.870 -0.144 0.000 1.078 477 L CA 1.429 56.158 54.840 -0.184 0.000 0.749 477 L CB -0.590 41.389 42.059 -0.132 0.000 0.901 477 L HN 0.216 nan 8.230 nan 0.000 0.433 478 L N -0.685 120.469 121.223 -0.114 0.000 2.012 478 L HA -0.281 4.065 4.340 0.011 0.000 0.210 478 L C 2.642 179.457 176.870 -0.093 0.000 1.073 478 L CA 1.640 56.429 54.840 -0.086 0.000 0.748 478 L CB -0.359 41.659 42.059 -0.068 0.000 0.891 478 L HN 0.284 nan 8.230 nan 0.000 0.431 479 A N 0.113 122.864 122.820 -0.114 0.000 1.873 479 A HA -0.254 4.073 4.320 0.011 0.000 0.218 479 A C 2.144 179.661 177.584 -0.112 0.000 1.193 479 A CA 2.177 54.148 52.037 -0.110 0.000 0.629 479 A CB -1.056 17.863 19.000 -0.136 0.000 0.826 479 A HN 0.537 nan 8.150 nan 0.000 0.447 480 L N -0.895 120.234 121.223 -0.158 0.000 2.131 480 L HA -0.178 4.169 4.340 0.011 0.000 0.210 480 L C 2.539 179.331 176.870 -0.130 0.000 1.092 480 L CA 0.838 55.575 54.840 -0.171 0.000 0.759 480 L CB -0.570 41.326 42.059 -0.271 0.000 0.903 480 L HN 0.370 nan 8.230 nan 0.000 0.435 481 L N -0.371 120.788 121.223 -0.108 0.000 2.027 481 L HA -0.055 4.292 4.340 0.011 0.000 0.206 481 L C 1.327 178.181 176.870 -0.027 0.000 1.074 481 L CA 1.301 56.106 54.840 -0.059 0.000 0.745 481 L CB -0.394 41.635 42.059 -0.050 0.000 0.898 481 L HN 0.499 nan 8.230 nan 0.000 0.433 482 G N -0.965 107.814 108.800 -0.034 0.000 2.244 482 G HA2 -0.127 3.840 3.960 0.011 0.000 0.163 482 G HA3 -0.127 3.840 3.960 0.011 0.000 0.163 482 G C -0.203 174.685 174.900 -0.019 0.000 1.064 482 G CA -0.169 44.919 45.100 -0.020 0.000 0.757 482 G HN 0.260 nan 8.290 nan 0.000 0.484 483 D N -0.215 120.168 120.400 -0.028 0.000 2.527 483 D HA 0.225 4.871 4.640 0.011 0.000 0.224 483 D C 0.795 177.079 176.300 -0.027 0.000 1.217 483 D CA 0.360 54.346 54.000 -0.024 0.000 0.819 483 D CB 1.046 41.832 40.800 -0.024 0.000 1.061 483 D HN 0.246 nan 8.370 nan 0.000 0.515 484 K N 0.393 120.773 120.400 -0.033 0.000 2.617 484 K HA 0.257 4.584 4.320 0.011 0.000 0.293 484 K C -1.078 175.500 176.600 -0.036 0.000 1.034 484 K CA -0.515 55.752 56.287 -0.034 0.000 0.884 484 K CB 2.532 35.008 32.500 -0.040 0.000 1.541 484 K HN -0.108 nan 8.250 nan 0.000 0.409 485 E N 0.188 120.368 120.200 -0.032 0.000 2.231 485 E HA 0.603 4.960 4.350 0.011 0.000 0.277 485 E C -0.561 176.016 176.600 -0.040 0.000 0.999 485 E CA -0.577 55.805 56.400 -0.030 0.000 0.827 485 E CB 1.346 31.034 29.700 -0.020 0.000 1.101 485 E HN 0.660 nan 8.360 nan 0.000 0.393 486 G N 1.251 110.026 108.800 -0.042 0.000 2.685 486 G HA2 0.339 4.306 3.960 0.011 0.000 0.298 486 G HA3 0.339 4.306 3.960 0.011 0.000 0.298 486 G C -0.515 174.369 174.900 -0.027 0.000 1.277 486 G CA -0.475 44.593 45.100 -0.053 0.000 0.986 486 G HN 0.626 nan 8.290 nan 0.000 0.487 487 S N -0.532 115.157 115.700 -0.019 0.000 2.549 487 S HA -0.022 4.455 4.470 0.011 0.000 0.278 487 S C 1.123 175.737 174.600 0.022 0.000 1.344 487 S CA 0.774 58.979 58.200 0.009 0.000 1.025 487 S CB 0.717 63.935 63.200 0.030 0.000 0.851 487 S HN 0.722 nan 8.310 nan 0.000 0.530 488 E N 0.901 121.115 120.200 0.023 0.000 2.086 488 E HA -0.234 4.123 4.350 0.011 0.000 0.205 488 E C 2.084 178.714 176.600 0.051 0.000 1.027 488 E CA 1.869 58.286 56.400 0.028 0.000 0.830 488 E CB -0.304 29.409 29.700 0.020 0.000 0.751 488 E HN 0.638 nan 8.360 nan 0.000 0.456 489 M N 0.405 120.048 119.600 0.071 0.000 2.065 489 M HA -0.159 4.328 4.480 0.011 0.000 0.259 489 M C 2.582 179.008 176.300 0.209 0.000 1.069 489 M CA 1.189 56.566 55.300 0.130 0.000 1.110 489 M CB -1.012 31.671 32.600 0.138 0.000 1.328 489 M HN 0.053 nan 8.290 nan 0.000 0.405 490 V N 0.658 120.673 119.914 0.168 0.000 2.380 490 V HA -0.275 3.851 4.120 0.011 0.000 0.251 490 V C 2.714 178.835 176.094 0.046 0.000 1.063 490 V CA 1.966 64.301 62.300 0.059 0.000 1.055 490 V CB -1.393 30.359 31.823 -0.119 0.000 0.657 490 V HN 0.527 nan 8.190 nan 0.000 0.455 491 A N -0.853 121.991 122.820 0.040 0.000 1.929 491 A HA -0.128 4.198 4.320 0.011 0.000 0.216 491 A C 2.312 179.924 177.584 0.048 0.000 1.176 491 A CA 1.249 53.303 52.037 0.029 0.000 0.628 491 A CB -0.346 18.665 19.000 0.017 0.000 0.816 491 A HN 0.418 nan 8.150 nan 0.000 0.444 492 K N 0.036 120.476 120.400 0.067 0.000 2.063 492 K HA -0.146 4.181 4.320 0.011 0.000 0.208 492 K C 2.321 178.966 176.600 0.074 0.000 1.048 492 K CA 1.310 57.636 56.287 0.065 0.000 0.928 492 K CB -0.525 32.022 32.500 0.078 0.000 0.713 492 K HN 0.452 nan 8.250 nan 0.000 0.442 493 A N 1.876 124.782 122.820 0.144 0.000 1.835 493 A HA -0.220 4.107 4.320 0.011 0.000 0.215 493 A C 2.163 179.816 177.584 0.116 0.000 1.199 493 A CA 1.959 54.111 52.037 0.192 0.000 0.615 493 A CB -0.588 18.639 19.000 0.379 0.000 0.838 493 A HN 0.303 nan 8.150 nan 0.000 0.444 494 K N -0.278 120.175 120.400 0.087 0.000 2.173 494 K HA -0.272 4.055 4.320 0.011 0.000 0.207 494 K C 2.012 178.667 176.600 0.091 0.000 1.046 494 K CA 2.023 58.353 56.287 0.072 0.000 0.929 494 K CB -0.158 32.353 32.500 0.019 0.000 0.720 494 K HN 0.678 nan 8.250 nan 0.000 0.453 495 E N -0.592 119.634 120.200 0.044 0.000 2.072 495 E HA -0.154 4.203 4.350 0.011 0.000 0.191 495 E C 1.764 178.345 176.600 -0.031 0.000 0.985 495 E CA 0.938 57.346 56.400 0.014 0.000 0.801 495 E CB -0.088 29.614 29.700 0.003 0.000 0.750 495 E HN 0.453 nan 8.360 nan 0.000 0.452 496 A N 1.433 124.186 122.820 -0.112 0.000 1.929 496 A HA -0.158 4.168 4.320 0.011 0.000 0.216 496 A C 1.974 179.374 177.584 -0.308 0.000 1.176 496 A CA 0.925 52.774 52.037 -0.314 0.000 0.628 496 A CB -1.038 17.569 19.000 -0.655 0.000 0.816 496 A HN 0.686 nan 8.150 nan 0.000 0.444 497 W N 1.432 122.539 121.300 -0.320 0.000 2.363 497 W HA -0.142 4.525 4.660 0.011 0.000 0.296 497 W C 1.634 178.118 176.519 -0.057 0.000 1.212 497 W CA 1.891 59.162 57.345 -0.123 0.000 1.260 497 W CB -0.098 29.364 29.460 0.004 0.000 1.131 497 W HN 0.469 nan 8.180 nan 0.000 0.530 498 E N 0.736 121.013 120.200 0.127 0.000 2.012 498 E HA -0.239 4.118 4.350 0.011 0.000 0.197 498 E C 1.885 178.445 176.600 -0.067 0.000 1.007 498 E CA 1.447 57.872 56.400 0.041 0.000 0.816 498 E CB -0.919 28.818 29.700 0.063 0.000 0.762 498 E HN 0.312 nan 8.360 nan 0.000 0.451 499 K N 0.856 121.215 120.400 -0.069 0.000 2.442 499 K HA 0.006 4.333 4.320 0.011 0.000 0.199 499 K C 0.779 177.314 176.600 -0.108 0.000 1.044 499 K CA 0.358 56.598 56.287 -0.078 0.000 0.941 499 K CB -0.123 32.336 32.500 -0.069 0.000 0.759 499 K HN 0.036 nan 8.250 nan 0.000 0.472 500 A N 1.642 124.359 122.820 -0.172 0.000 2.524 500 A HA -0.006 4.321 4.320 0.011 0.000 0.250 500 A C 0.528 178.007 177.584 -0.175 0.000 1.078 500 A CA 0.020 51.943 52.037 -0.189 0.000 0.761 500 A CB 0.349 19.156 19.000 -0.321 0.000 1.012 500 A HN 0.119 nan 8.150 nan 0.000 0.500 501 K N 1.523 121.863 120.400 -0.099 0.000 2.067 501 K HA 0.071 4.398 4.320 0.011 0.000 0.203 501 K C 0.288 176.834 176.600 -0.089 0.000 1.048 501 K CA 1.140 57.381 56.287 -0.076 0.000 0.954 501 K CB 0.236 32.715 32.500 -0.034 0.000 0.737 501 K HN 0.555 nan 8.250 nan 0.000 0.444 502 N N 0.444 119.098 118.700 -0.077 0.000 2.732 502 N HA 0.175 4.922 4.740 0.011 0.000 0.235 502 N C -2.952 172.521 175.510 -0.063 0.000 1.466 502 N CA -1.032 51.974 53.050 -0.073 0.000 0.751 502 N CB 1.551 40.024 38.487 -0.024 0.000 1.317 502 N HN 0.004 nan 8.380 nan 0.000 0.525 503 P HA 0.364 nan 4.420 nan 0.000 0.279 503 P C -0.412 176.860 177.300 -0.045 0.000 1.276 503 P CA -0.372 62.672 63.100 -0.092 0.000 0.801 503 P CB 1.936 33.425 31.700 -0.353 0.000 1.127 504 V N 0.485 120.433 119.914 0.056 0.000 3.001 504 V HA 0.397 4.524 4.120 0.011 0.000 0.314 504 V C -0.220 176.012 176.094 0.230 0.000 1.099 504 V CA -0.834 61.520 62.300 0.089 0.000 0.989 504 V CB 2.017 33.820 31.823 -0.034 0.000 1.040 504 V HN 0.419 nan 8.190 nan 0.000 0.434 505 L N 3.898 125.250 121.223 0.215 0.000 2.319 505 L HA 0.653 5.000 4.340 0.011 0.000 0.281 505 L C -0.866 176.022 176.870 0.029 0.000 1.005 505 L CA 0.252 55.205 54.840 0.187 0.000 0.828 505 L CB 1.014 43.202 42.059 0.214 0.000 1.227 505 L HN 0.518 nan 8.230 nan 0.000 0.415 506 I N 6.564 127.134 120.570 -0.001 0.000 2.377 506 I HA 0.532 4.709 4.170 0.011 0.000 0.293 506 I C -0.953 175.128 176.117 -0.060 0.000 0.987 506 I CA -0.799 60.472 61.300 -0.047 0.000 1.185 506 I CB 1.512 39.486 38.000 -0.045 0.000 1.341 506 I HN 0.553 nan 8.210 nan 0.000 0.455 507 L N 3.722 124.882 121.223 -0.106 0.000 2.582 507 L HA 0.961 5.308 4.340 0.011 0.000 0.257 507 L C -0.290 176.516 176.870 -0.107 0.000 0.974 507 L CA -0.340 54.436 54.840 -0.107 0.000 0.851 507 L CB 1.339 43.298 42.059 -0.168 0.000 1.424 507 L HN 0.580 nan 8.230 nan 0.000 0.412 508 G N -0.313 108.455 108.800 -0.054 0.000 3.009 508 G HA2 0.608 4.575 3.960 0.011 0.000 0.183 508 G HA3 0.608 4.575 3.960 0.011 0.000 0.183 508 G C 0.513 175.414 174.900 0.001 0.000 1.613 508 G CA 0.489 45.571 45.100 -0.031 0.000 0.910 508 G HN 0.973 nan 8.290 nan 0.000 0.785 509 A N 0.421 123.262 122.820 0.034 0.000 1.889 509 A HA 0.334 4.661 4.320 0.011 0.000 0.209 509 A C 2.626 180.260 177.584 0.083 0.000 1.315 509 A CA 2.522 54.592 52.037 0.056 0.000 0.611 509 A CB -1.508 17.541 19.000 0.082 0.000 0.950 509 A HN 1.338 nan 8.150 nan 0.000 0.477 510 G N -1.084 107.794 108.800 0.130 0.000 2.517 510 G HA2 -0.160 3.807 3.960 0.011 0.000 0.222 510 G HA3 -0.160 3.807 3.960 0.011 0.000 0.222 510 G C 1.398 176.342 174.900 0.073 0.000 1.109 510 G CA 1.468 46.639 45.100 0.118 0.000 0.746 510 G HN 0.355 nan 8.290 nan 0.000 0.576 511 V N 0.109 120.054 119.914 0.052 0.000 2.307 511 V HA -0.047 4.080 4.120 0.011 0.000 0.245 511 V C 2.606 178.736 176.094 0.060 0.000 1.045 511 V CA 1.207 63.525 62.300 0.030 0.000 1.024 511 V CB -0.243 31.570 31.823 -0.017 0.000 0.651 511 V HN 0.269 nan 8.190 nan 0.000 0.449 512 L N -0.667 120.588 121.223 0.054 0.000 2.492 512 L HA 0.097 4.444 4.340 0.011 0.000 0.223 512 L C 1.863 178.792 176.870 0.099 0.000 1.132 512 L CA 1.237 56.134 54.840 0.096 0.000 0.850 512 L CB -0.513 41.590 42.059 0.073 0.000 0.966 512 L HN 0.320 nan 8.230 nan 0.000 0.454 513 Q N -0.600 119.251 119.800 0.084 0.000 2.188 513 Q HA 0.135 4.482 4.340 0.011 0.000 0.212 513 Q C -0.571 175.474 176.000 0.074 0.000 0.846 513 Q CA 0.056 55.910 55.803 0.084 0.000 0.989 513 Q CB 0.315 29.106 28.738 0.088 0.000 1.114 513 Q HN 0.189 nan 8.270 nan 0.000 0.488 514 D N -1.164 119.278 120.400 0.069 0.000 2.336 514 D HA 0.099 4.745 4.640 0.011 0.000 0.248 514 D C 0.114 176.443 176.300 0.049 0.000 1.326 514 D CA -0.016 54.016 54.000 0.052 0.000 0.973 514 D CB 1.341 42.167 40.800 0.043 0.000 1.255 514 D HN -0.043 nan 8.370 nan 0.000 0.558 515 T N 1.780 116.360 114.554 0.042 0.000 2.602 515 T HA -0.210 4.146 4.350 0.011 0.000 0.264 515 T C 2.086 176.801 174.700 0.026 0.000 1.085 515 T CA 2.092 64.213 62.100 0.034 0.000 1.164 515 T CB -0.031 68.850 68.868 0.022 0.000 0.860 515 T HN 0.371 nan 8.240 nan 0.000 0.442 516 V N 1.576 121.500 119.914 0.017 0.000 2.220 516 V HA -0.299 3.828 4.120 0.011 0.000 0.250 516 V C 2.767 178.865 176.094 0.007 0.000 1.056 516 V CA 2.268 64.572 62.300 0.006 0.000 1.016 516 V CB -1.399 30.424 31.823 0.000 0.000 0.639 516 V HN 0.640 nan 8.190 nan 0.000 0.446 517 A N -0.212 122.614 122.820 0.011 0.000 1.835 517 A HA -0.090 4.237 4.320 0.011 0.000 0.215 517 A C 2.473 180.082 177.584 0.041 0.000 1.199 517 A CA 2.458 54.498 52.037 0.006 0.000 0.615 517 A CB -1.227 17.772 19.000 -0.002 0.000 0.838 517 A HN 0.685 nan 8.150 nan 0.000 0.444 518 A N -0.164 122.707 122.820 0.085 0.000 1.915 518 A HA -0.314 4.013 4.320 0.011 0.000 0.220 518 A C 1.975 179.648 177.584 0.149 0.000 1.198 518 A CA 2.729 54.879 52.037 0.188 0.000 0.647 518 A CB -0.693 18.439 19.000 0.219 0.000 0.825 518 A HN 0.635 nan 8.150 nan 0.000 0.456 519 E N 0.081 120.313 120.200 0.053 0.000 2.038 519 E HA -0.201 4.156 4.350 0.011 0.000 0.195 519 E C 2.107 178.708 176.600 0.001 0.000 1.000 519 E CA 1.877 58.275 56.400 -0.003 0.000 0.803 519 E CB -0.373 29.320 29.700 -0.012 0.000 0.750 519 E HN 0.622 nan 8.360 nan 0.000 0.448 520 R N 0.118 120.621 120.500 0.006 0.000 2.105 520 R HA -0.098 4.248 4.340 0.011 0.000 0.239 520 R C 2.415 178.719 176.300 0.007 0.000 1.135 520 R CA 1.248 57.344 56.100 -0.007 0.000 0.967 520 R CB -0.559 29.724 30.300 -0.027 0.000 0.861 520 R HN 0.286 nan 8.270 nan 0.000 0.442 521 A N 1.426 124.278 122.820 0.054 0.000 1.851 521 A HA -0.246 4.081 4.320 0.011 0.000 0.216 521 A C 2.128 179.814 177.584 0.170 0.000 1.195 521 A CA 1.653 53.756 52.037 0.110 0.000 0.622 521 A CB -0.674 18.461 19.000 0.225 0.000 0.831 521 A HN 0.277 nan 8.150 nan 0.000 0.444 522 R N -0.430 120.177 120.500 0.180 0.000 2.119 522 R HA -0.183 4.164 4.340 0.011 0.000 0.246 522 R C 2.080 178.406 176.300 0.043 0.000 1.146 522 R CA 1.811 57.928 56.100 0.028 0.000 0.962 522 R CB -0.508 29.634 30.300 -0.264 0.000 0.863 522 R HN 0.579 nan 8.270 nan 0.000 0.442 523 L N 0.370 121.607 121.223 0.023 0.000 1.955 523 L HA -0.257 4.090 4.340 0.011 0.000 0.213 523 L C 2.562 179.472 176.870 0.067 0.000 1.072 523 L CA 1.202 56.059 54.840 0.028 0.000 0.755 523 L CB -0.634 41.430 42.059 0.008 0.000 0.888 523 L HN 0.280 nan 8.230 nan 0.000 0.432 524 L N 0.327 121.576 121.223 0.044 0.000 2.064 524 L HA -0.263 4.084 4.340 0.011 0.000 0.216 524 L C 2.205 179.217 176.870 0.235 0.000 1.077 524 L CA 2.352 57.221 54.840 0.048 0.000 0.766 524 L CB -0.649 41.314 42.059 -0.161 0.000 0.890 524 L HN 0.242 nan 8.230 nan 0.000 0.435 525 A N -2.191 120.773 122.820 0.239 0.000 2.308 525 A HA 0.042 4.369 4.320 0.011 0.000 0.217 525 A C 2.127 179.844 177.584 0.223 0.000 1.216 525 A CA 0.582 52.829 52.037 0.350 0.000 0.864 525 A CB -0.384 18.827 19.000 0.352 0.000 0.902 525 A HN 0.591 nan 8.150 nan 0.000 0.499 526 E N -0.145 120.146 120.200 0.151 0.000 2.166 526 E HA -0.013 4.344 4.350 0.011 0.000 0.192 526 E C 2.070 178.724 176.600 0.090 0.000 0.967 526 E CA 0.095 56.551 56.400 0.093 0.000 0.840 526 E CB 0.061 29.788 29.700 0.046 0.000 0.795 526 E HN 0.556 nan 8.360 nan 0.000 0.470 527 R N 1.041 121.606 120.500 0.108 0.000 2.070 527 R HA -0.038 4.308 4.340 0.011 0.000 0.232 527 R C 1.165 177.528 176.300 0.105 0.000 1.138 527 R CA 0.936 57.094 56.100 0.097 0.000 0.936 527 R CB -0.231 30.134 30.300 0.107 0.000 0.839 527 R HN -0.109 nan 8.270 nan 0.000 0.429 528 K N 0.797 121.294 120.400 0.161 0.000 2.326 528 K HA 0.044 4.371 4.320 0.011 0.000 0.275 528 K C -0.114 176.537 176.600 0.085 0.000 1.018 528 K CA 0.037 56.388 56.287 0.107 0.000 0.962 528 K CB 1.155 33.727 32.500 0.121 0.000 0.953 528 K HN 0.211 nan 8.250 nan 0.000 0.475 529 G N 2.529 111.346 108.800 0.029 0.000 3.008 529 G HA2 0.390 4.357 3.960 0.011 0.000 0.272 529 G HA3 0.390 4.357 3.960 0.011 0.000 0.272 529 G C -0.600 174.317 174.900 0.028 0.000 0.764 529 G CA -0.239 44.880 45.100 0.031 0.000 2.029 529 G HN 0.620 nan 8.290 nan 0.000 0.587 530 A N 1.842 124.706 122.820 0.073 0.000 2.386 530 A HA 0.779 5.106 4.320 0.011 0.000 0.311 530 A C 0.205 177.866 177.584 0.129 0.000 1.068 530 A CA -0.853 51.232 52.037 0.080 0.000 0.743 530 A CB 1.880 20.925 19.000 0.075 0.000 1.258 530 A HN 0.423 nan 8.150 nan 0.000 0.429 531 K N 0.065 120.525 120.400 0.099 0.000 2.179 531 K HA 0.733 5.060 4.320 0.011 0.000 0.238 531 K C -0.766 175.909 176.600 0.124 0.000 1.033 531 K CA -0.579 55.770 56.287 0.105 0.000 0.926 531 K CB 1.192 33.730 32.500 0.064 0.000 1.151 531 K HN 0.429 nan 8.250 nan 0.000 0.492 532 V N 0.989 120.967 119.914 0.105 0.000 3.049 532 V HA 0.372 4.499 4.120 0.011 0.000 0.309 532 V C -1.002 175.100 176.094 0.013 0.000 1.148 532 V CA -1.011 61.329 62.300 0.066 0.000 0.990 532 V CB 1.967 33.842 31.823 0.087 0.000 1.039 532 V HN 0.518 nan 8.190 nan 0.000 0.430 533 L N 2.726 123.925 121.223 -0.041 0.000 2.342 533 L HA 0.769 5.115 4.340 0.011 0.000 0.276 533 L C 0.132 176.941 176.870 -0.102 0.000 0.997 533 L CA -0.608 54.202 54.840 -0.051 0.000 0.838 533 L CB 1.699 43.732 42.059 -0.044 0.000 1.224 533 L HN 0.797 nan 8.230 nan 0.000 0.416 534 A N 4.977 127.739 122.820 -0.097 0.000 2.260 534 A HA 0.629 4.956 4.320 0.011 0.000 0.312 534 A C 0.061 177.609 177.584 -0.061 0.000 1.321 534 A CA -0.423 51.535 52.037 -0.132 0.000 0.928 534 A CB 0.206 19.140 19.000 -0.111 0.000 1.158 534 A HN 0.789 nan 8.150 nan 0.000 0.542 535 M N 3.787 123.349 119.600 -0.063 0.000 3.213 535 M HA 0.133 4.620 4.480 0.011 0.000 0.275 535 M C 0.850 177.131 176.300 -0.033 0.000 1.424 535 M CA -0.043 55.234 55.300 -0.038 0.000 1.561 535 M CB -0.153 32.429 32.600 -0.030 0.000 1.109 535 M HN 0.773 nan 8.290 nan 0.000 0.552 536 T N -1.413 113.129 114.554 -0.020 0.000 2.899 536 T HA 0.313 4.670 4.350 0.011 0.000 0.295 536 T C -1.622 173.050 174.700 -0.047 0.000 1.033 536 T CA -1.461 60.635 62.100 -0.007 0.000 1.084 536 T CB 0.757 69.647 68.868 0.038 0.000 0.979 536 T HN 0.356 nan 8.240 nan 0.000 0.532 537 P HA 0.242 nan 4.420 nan 0.000 0.249 537 P C -0.037 177.135 177.300 -0.213 0.000 1.229 537 P CA -0.015 62.998 63.100 -0.145 0.000 0.788 537 P CB -0.018 31.598 31.700 -0.140 0.000 1.072 538 A N -0.130 122.628 122.820 -0.104 0.000 2.303 538 A HA 0.636 4.962 4.320 0.011 0.000 0.320 538 A C 1.486 179.068 177.584 -0.005 0.000 1.192 538 A CA -0.122 51.883 52.037 -0.054 0.000 0.821 538 A CB 1.219 20.304 19.000 0.141 0.000 1.188 538 A HN 0.032 nan 8.150 nan 0.000 0.492 539 A N 2.363 125.225 122.820 0.071 0.000 1.892 539 A HA -0.178 4.149 4.320 0.011 0.000 0.218 539 A C 1.545 179.110 177.584 -0.032 0.000 1.188 539 A CA 2.282 54.330 52.037 0.019 0.000 0.631 539 A CB -0.347 18.682 19.000 0.048 0.000 0.822 539 A HN 0.755 nan 8.150 nan 0.000 0.447 540 N N -0.723 117.940 118.700 -0.062 0.000 2.320 540 N HA 0.382 5.128 4.740 0.011 0.000 0.237 540 N C 1.118 176.509 175.510 -0.199 0.000 1.129 540 N CA 0.665 53.637 53.050 -0.129 0.000 0.854 540 N CB -0.149 38.238 38.487 -0.167 0.000 1.083 540 N HN 0.328 nan 8.380 nan 0.000 0.504 541 A N 0.701 123.463 122.820 -0.096 0.000 1.884 541 A HA -0.225 4.102 4.320 0.011 0.000 0.219 541 A C 2.171 179.742 177.584 -0.021 0.000 1.197 541 A CA 1.679 53.709 52.037 -0.012 0.000 0.637 541 A CB -0.439 18.678 19.000 0.195 0.000 0.827 541 A HN 0.365 nan 8.150 nan 0.000 0.450 542 R N -0.070 120.440 120.500 0.018 0.000 2.193 542 R HA -0.017 4.330 4.340 0.011 0.000 0.229 542 R C 1.892 178.194 176.300 0.003 0.000 1.110 542 R CA 1.764 57.901 56.100 0.063 0.000 0.988 542 R CB -0.915 29.428 30.300 0.071 0.000 0.871 542 R HN 0.426 nan 8.270 nan 0.000 0.458 543 G N -0.568 108.178 108.800 -0.090 0.000 2.490 543 G HA2 -0.023 3.944 3.960 0.011 0.000 0.211 543 G HA3 -0.023 3.944 3.960 0.011 0.000 0.211 543 G C 1.331 176.105 174.900 -0.210 0.000 1.159 543 G CA 0.095 45.114 45.100 -0.134 0.000 0.819 543 G HN 0.267 nan 8.290 nan 0.000 0.539 544 L N 0.445 121.464 121.223 -0.341 0.000 2.141 544 L HA -0.018 4.329 4.340 0.011 0.000 0.209 544 L C 2.765 179.498 176.870 -0.230 0.000 1.094 544 L CA 1.011 55.573 54.840 -0.463 0.000 0.763 544 L CB -0.292 41.075 42.059 -1.154 0.000 0.908 544 L HN 0.280 nan 8.230 nan 0.000 0.437 545 E N 0.168 120.321 120.200 -0.078 0.000 2.150 545 E HA -0.168 4.189 4.350 0.011 0.000 0.193 545 E C 2.143 178.778 176.600 0.059 0.000 0.985 545 E CA 0.984 57.499 56.400 0.191 0.000 0.814 545 E CB -0.093 29.803 29.700 0.327 0.000 0.752 545 E HN 0.487 nan 8.360 nan 0.000 0.466 546 A N 0.511 123.186 122.820 -0.242 0.000 2.167 546 A HA -0.034 4.293 4.320 0.011 0.000 0.214 546 A C 1.814 179.022 177.584 -0.627 0.000 1.151 546 A CA 0.699 52.177 52.037 -0.932 0.000 0.735 546 A CB 0.057 18.632 19.000 -0.708 0.000 0.802 546 A HN 0.094 nan 8.150 nan 0.000 0.467 547 M N -1.451 117.985 119.600 -0.273 0.000 2.371 547 M HA 0.198 4.685 4.480 0.011 0.000 0.246 547 M C 1.115 177.386 176.300 -0.048 0.000 1.103 547 M CA 0.774 55.981 55.300 -0.154 0.000 1.010 547 M CB -0.496 32.031 32.600 -0.122 0.000 1.457 547 M HN 0.690 nan 8.290 nan 0.000 0.486 548 G N 1.561 110.369 108.800 0.014 0.000 2.326 548 G HA2 -0.153 3.814 3.960 0.011 0.000 0.286 548 G HA3 -0.153 3.814 3.960 0.011 0.000 0.286 548 G C 0.131 175.106 174.900 0.125 0.000 1.096 548 G CA 0.063 45.228 45.100 0.108 0.000 1.003 548 G HN 0.333 nan 8.290 nan 0.000 0.503 549 V N 0.167 120.186 119.914 0.174 0.000 3.063 549 V HA 0.398 4.525 4.120 0.011 0.000 0.379 549 V C 0.650 176.975 176.094 0.385 0.000 1.310 549 V CA -0.054 62.397 62.300 0.252 0.000 1.333 549 V CB -0.199 31.758 31.823 0.223 0.000 1.331 549 V HN 0.361 nan 8.190 nan 0.000 0.527 550 L N 1.986 123.377 121.223 0.280 0.000 2.334 550 L HA 0.643 4.990 4.340 0.011 0.000 0.270 550 L C -2.097 174.877 176.870 0.174 0.000 1.018 550 L CA -2.088 52.886 54.840 0.222 0.000 0.811 550 L CB 0.904 43.083 42.059 0.200 0.000 1.271 550 L HN -0.009 nan 8.230 nan 0.000 0.443 551 P HA 0.186 nan 4.420 nan 0.000 0.274 551 P C -0.243 177.128 177.300 0.119 0.000 1.237 551 P CA -0.326 62.860 63.100 0.143 0.000 0.793 551 P CB 0.713 32.491 31.700 0.129 0.000 0.977 552 G N 0.014 108.886 108.800 0.120 0.000 2.563 552 G HA2 0.330 4.297 3.960 0.011 0.000 0.283 552 G HA3 0.330 4.297 3.960 0.011 0.000 0.283 552 G C 1.238 176.191 174.900 0.088 0.000 1.309 552 G CA 0.004 45.165 45.100 0.102 0.000 1.022 552 G HN 0.470 nan 8.290 nan 0.000 0.501 553 A N -0.439 122.426 122.820 0.075 0.000 1.986 553 A HA -0.119 4.208 4.320 0.011 0.000 0.220 553 A C 2.264 179.886 177.584 0.062 0.000 1.171 553 A CA 2.486 54.559 52.037 0.060 0.000 0.640 553 A CB -0.570 18.460 19.000 0.051 0.000 0.811 553 A HN 0.635 nan 8.150 nan 0.000 0.451 554 K N -1.102 119.350 120.400 0.087 0.000 1.977 554 K HA -0.100 4.226 4.320 0.011 0.000 0.231 554 K C 1.392 178.023 176.600 0.051 0.000 1.040 554 K CA 2.926 59.271 56.287 0.098 0.000 1.029 554 K CB -0.765 31.850 32.500 0.191 0.000 0.737 554 K HN 0.910 nan 8.250 nan 0.000 0.446 555 G N -3.099 105.716 108.800 0.024 0.000 3.246 555 G HA2 0.023 3.990 3.960 0.011 0.000 0.218 555 G HA3 0.023 3.990 3.960 0.011 0.000 0.218 555 G C -0.189 174.670 174.900 -0.069 0.000 0.978 555 G CA 0.160 45.250 45.100 -0.016 0.000 0.825 555 G HN 0.651 nan 8.290 nan 0.000 0.546 556 A N 1.649 124.365 122.820 -0.173 0.000 2.535 556 A HA 0.590 4.917 4.320 0.011 0.000 0.290 556 A C 0.997 178.576 177.584 -0.007 0.000 1.270 556 A CA 1.193 53.097 52.037 -0.221 0.000 0.937 556 A CB -0.544 18.035 19.000 -0.701 0.000 1.096 556 A HN 1.745 nan 8.150 nan 0.000 0.534 557 S N 2.886 118.567 115.700 -0.031 0.000 2.747 557 S HA 0.491 4.968 4.470 0.011 0.000 0.300 557 S C 1.040 175.578 174.600 -0.103 0.000 1.121 557 S CA -0.266 57.941 58.200 0.011 0.000 0.995 557 S CB 0.517 63.675 63.200 -0.070 0.000 1.113 557 S HN 1.151 nan 8.310 nan 0.000 0.547 558 W N 1.455 122.705 121.300 -0.083 0.000 2.560 558 W HA -0.041 4.626 4.660 0.012 0.000 0.252 558 W C -0.155 176.331 176.519 -0.055 0.000 1.242 558 W CA 1.387 58.657 57.345 -0.125 0.000 1.242 558 W CB -0.754 28.726 29.460 0.033 0.000 1.136 558 W HN 0.846 nan 8.180 nan 0.000 0.625 559 D N -0.548 119.487 120.400 -0.609 0.000 2.514 559 D HA 0.051 4.698 4.640 0.011 0.000 0.225 559 D C -0.350 175.712 176.300 -0.398 0.000 1.159 559 D CA -0.126 53.518 54.000 -0.593 0.000 0.823 559 D CB -0.653 39.538 40.800 -1.015 0.000 1.097 559 D HN 0.166 nan 8.370 nan 0.000 0.519 560 E N 2.830 122.841 120.200 -0.316 0.000 2.055 560 E HA 0.245 4.602 4.350 0.011 0.000 0.274 560 E C -2.339 174.179 176.600 -0.137 0.000 0.949 560 E CA -2.114 54.158 56.400 -0.212 0.000 0.775 560 E CB 1.690 31.280 29.700 -0.182 0.000 1.097 560 E HN 0.064 nan 8.360 nan 0.000 0.404 561 P HA -0.022 nan 4.420 nan 0.000 0.263 561 P C 0.127 177.414 177.300 -0.020 0.000 1.276 561 P CA 0.336 63.415 63.100 -0.036 0.000 0.986 561 P CB 0.895 32.569 31.700 -0.043 0.000 1.105 562 G N 2.465 111.260 108.800 -0.008 0.000 2.709 562 G HA2 0.309 4.276 3.960 0.011 0.000 0.197 562 G HA3 0.309 4.276 3.960 0.011 0.000 0.197 562 G C 0.522 175.497 174.900 0.125 0.000 1.111 562 G CA 0.395 45.478 45.100 -0.028 0.000 0.716 562 G HN 0.651 nan 8.290 nan 0.000 0.754 563 A N -0.167 122.776 122.820 0.205 0.000 2.387 563 A HA 0.600 4.927 4.320 0.011 0.000 0.251 563 A C 0.881 178.586 177.584 0.203 0.000 1.113 563 A CA 0.397 52.697 52.037 0.439 0.000 0.794 563 A CB 0.603 19.884 19.000 0.467 0.000 1.069 563 A HN 0.490 nan 8.150 nan 0.000 0.506 564 L N -2.370 118.908 121.223 0.092 0.000 2.758 564 L HA 0.360 4.707 4.340 0.011 0.000 0.234 564 L C -0.876 175.834 176.870 -0.267 0.000 1.049 564 L CA 0.625 55.375 54.840 -0.150 0.000 0.908 564 L CB 0.286 42.151 42.059 -0.324 0.000 1.362 564 L HN 0.628 nan 8.230 nan 0.000 0.499 565 Y N 0.224 120.630 120.300 0.177 0.000 2.326 565 Y HA 0.759 5.316 4.550 0.011 0.000 0.331 565 Y C -0.000 176.007 175.900 0.178 0.000 0.962 565 Y CA -0.785 57.446 58.100 0.218 0.000 1.167 565 Y CB 1.266 39.839 38.460 0.188 0.000 1.148 565 Y HN 0.018 nan 8.280 nan 0.000 0.463 566 A N 2.631 125.637 122.820 0.310 0.000 2.539 566 A HA 0.666 4.992 4.320 0.011 0.000 0.296 566 A C -2.300 175.366 177.584 0.136 0.000 1.073 566 A CA -0.846 51.284 52.037 0.156 0.000 0.700 566 A CB 1.236 20.301 19.000 0.107 0.000 1.296 566 A HN 0.650 nan 8.150 nan 0.000 0.405 567 Y N 0.852 121.095 120.300 -0.095 0.000 2.323 567 Y HA 0.700 5.257 4.550 0.011 0.000 0.331 567 Y C -1.678 174.142 175.900 -0.134 0.000 1.092 567 Y CA -0.567 57.508 58.100 -0.040 0.000 1.150 567 Y CB 1.028 39.484 38.460 -0.006 0.000 1.200 567 Y HN 0.566 nan 8.280 nan 0.000 0.472 568 Y N 3.060 122.909 120.300 -0.751 0.000 2.406 568 Y HA 0.445 5.002 4.550 0.011 0.000 0.340 568 Y C 0.544 175.981 175.900 -0.772 0.000 0.975 568 Y CA -0.921 56.799 58.100 -0.634 0.000 1.056 568 Y CB 2.583 40.754 38.460 -0.481 0.000 1.210 568 Y HN 0.845 nan 8.280 nan 0.000 0.448 569 G N 3.548 112.224 108.800 -0.207 0.000 3.959 569 G HA2 0.443 4.410 3.960 0.011 0.000 0.298 569 G HA3 0.443 4.410 3.960 0.011 0.000 0.298 569 G C -0.787 174.302 174.900 0.314 0.000 1.211 569 G CA -0.016 45.137 45.100 0.089 0.000 1.001 569 G HN 0.496 nan 8.290 nan 0.000 0.561 570 F N -3.175 116.801 119.950 0.043 0.000 3.032 570 F HA 0.488 5.022 4.527 0.011 0.000 0.331 570 F C -1.634 174.155 175.800 -0.018 0.000 1.125 570 F CA -1.666 56.345 58.000 0.019 0.000 0.873 570 F CB 0.765 39.779 39.000 0.023 0.000 1.374 570 F HN -0.127 nan 8.300 nan 0.000 0.452 571 V N 2.794 122.726 119.914 0.029 0.000 2.406 571 V HA 0.561 4.688 4.120 0.011 0.000 0.272 571 V C -2.137 173.909 176.094 -0.081 0.000 1.043 571 V CA -1.262 60.906 62.300 -0.219 0.000 0.915 571 V CB 0.832 32.535 31.823 -0.200 0.000 0.988 571 V HN 0.667 nan 8.190 nan 0.000 0.466 572 P HA 0.486 nan 4.420 nan 0.000 0.287 572 P C -2.793 174.449 177.300 -0.097 0.000 1.296 572 P CA -2.223 60.823 63.100 -0.089 0.000 0.811 572 P CB -0.002 31.387 31.700 -0.517 0.000 1.211 573 P HA 0.011 nan 4.420 nan 0.000 0.269 573 P C 0.708 177.833 177.300 -0.292 0.000 1.209 573 P CA 0.233 63.202 63.100 -0.218 0.000 0.776 573 P CB 0.796 32.216 31.700 -0.467 0.000 0.876 574 E N 1.305 121.323 120.200 -0.303 0.000 2.160 574 E HA -0.258 4.099 4.350 0.011 0.000 0.195 574 E C 1.385 177.822 176.600 -0.271 0.000 0.991 574 E CA 1.154 57.340 56.400 -0.356 0.000 0.810 574 E CB 0.065 29.558 29.700 -0.345 0.000 0.742 574 E HN 0.386 nan 8.360 nan 0.000 0.466 575 E N -0.343 119.715 120.200 -0.237 0.000 2.347 575 E HA -0.020 4.337 4.350 0.011 0.000 0.196 575 E C 1.029 177.544 176.600 -0.141 0.000 1.008 575 E CA 0.876 57.174 56.400 -0.171 0.000 0.852 575 E CB 0.088 29.673 29.700 -0.192 0.000 0.783 575 E HN 0.315 nan 8.360 nan 0.000 0.505 576 A N -0.425 122.290 122.820 -0.175 0.000 2.345 576 A HA 0.223 4.550 4.320 0.011 0.000 0.225 576 A C 1.351 178.900 177.584 -0.059 0.000 1.243 576 A CA -0.068 51.898 52.037 -0.119 0.000 0.875 576 A CB 0.016 18.928 19.000 -0.147 0.000 0.929 576 A HN 0.275 nan 8.150 nan 0.000 0.502 577 L N -1.232 119.946 121.223 -0.075 0.000 2.609 577 L HA 0.173 4.520 4.340 0.011 0.000 0.230 577 L C 0.334 177.260 176.870 0.094 0.000 1.064 577 L CA -0.018 54.819 54.840 -0.005 0.000 0.873 577 L CB -0.039 41.973 42.059 -0.078 0.000 1.139 577 L HN 0.154 nan 8.230 nan 0.000 0.490 578 K N 0.889 121.354 120.400 0.107 0.000 2.436 578 K HA 0.240 4.567 4.320 0.011 0.000 0.275 578 K C 1.143 177.772 176.600 0.047 0.000 0.999 578 K CA 0.716 57.074 56.287 0.119 0.000 0.980 578 K CB 0.496 33.069 32.500 0.122 0.000 0.919 578 K HN 0.214 nan 8.250 nan 0.000 0.484 579 G N 1.939 110.752 108.800 0.021 0.000 2.328 579 G HA2 -0.347 3.620 3.960 0.011 0.000 0.256 579 G HA3 -0.347 3.620 3.960 0.011 0.000 0.256 579 G C 0.137 175.048 174.900 0.017 0.000 1.014 579 G CA 0.320 45.426 45.100 0.010 0.000 0.620 579 G HN 0.572 nan 8.290 nan 0.000 0.530 580 K N 0.181 120.605 120.400 0.040 0.000 2.397 580 K HA 0.328 4.654 4.320 0.011 0.000 0.265 580 K C 1.648 178.295 176.600 0.078 0.000 0.982 580 K CA 0.151 56.467 56.287 0.049 0.000 0.931 580 K CB 0.360 32.920 32.500 0.101 0.000 0.943 580 K HN 0.340 nan 8.250 nan 0.000 0.501 581 R N 0.478 121.002 120.500 0.041 0.000 2.087 581 R HA 0.077 4.424 4.340 0.011 0.000 0.216 581 R C 0.089 176.645 176.300 0.428 0.000 1.114 581 R CA 0.574 56.752 56.100 0.130 0.000 1.002 581 R CB 0.179 30.442 30.300 -0.063 0.000 0.903 581 R HN 0.374 nan 8.270 nan 0.000 0.445 582 F N 1.394 121.523 119.950 0.298 0.000 2.539 582 F HA 0.334 4.868 4.527 0.011 0.000 0.318 582 F C -0.915 175.101 175.800 0.360 0.000 1.135 582 F CA -1.661 56.599 58.000 0.433 0.000 0.915 582 F CB 1.700 40.962 39.000 0.437 0.000 1.176 582 F HN -0.283 nan 8.300 nan 0.000 0.440 583 V N 4.708 124.502 119.914 -0.201 0.000 2.444 583 V HA 0.802 4.929 4.120 0.011 0.000 0.294 583 V C -1.001 174.842 176.094 -0.417 0.000 1.022 583 V CA -0.989 61.178 62.300 -0.220 0.000 0.850 583 V CB 1.012 32.724 31.823 -0.186 0.000 0.992 583 V HN 0.722 nan 8.190 nan 0.000 0.426 584 V N 3.198 122.993 119.914 -0.197 0.000 2.378 584 V HA 0.641 4.768 4.120 0.011 0.000 0.288 584 V C -0.148 175.942 176.094 -0.006 0.000 1.016 584 V CA -0.656 61.580 62.300 -0.106 0.000 0.840 584 V CB 1.392 33.239 31.823 0.040 0.000 0.994 584 V HN 0.888 nan 8.190 nan 0.000 0.431 585 M N 4.637 124.223 119.600 -0.023 0.000 2.088 585 M HA 0.403 4.890 4.480 0.011 0.000 0.346 585 M C -0.241 176.123 176.300 0.106 0.000 1.111 585 M CA -0.093 55.199 55.300 -0.013 0.000 1.017 585 M CB 0.947 33.513 32.600 -0.058 0.000 1.568 585 M HN 0.886 nan 8.290 nan 0.000 0.445 586 H N 4.573 123.632 119.070 -0.018 0.000 2.726 586 H HA 0.459 5.022 4.556 0.011 0.000 0.244 586 H C -0.908 174.486 175.328 0.111 0.000 1.669 586 H CA -0.345 55.771 56.048 0.113 0.000 1.293 586 H CB 0.439 30.357 29.762 0.261 0.000 1.640 586 H HN 0.671 nan 8.280 nan 0.000 0.553 587 L N 0.990 122.301 121.223 0.147 0.000 2.635 587 L HA 0.175 4.522 4.340 0.011 0.000 0.250 587 L C 1.281 178.225 176.870 0.122 0.000 1.117 587 L CA 0.025 54.933 54.840 0.112 0.000 0.834 587 L CB 1.323 43.464 42.059 0.136 0.000 1.544 587 L HN 0.490 nan 8.230 nan 0.000 0.511 588 S N -3.230 112.609 115.700 0.233 0.000 2.679 588 S HA 0.292 4.769 4.470 0.011 0.000 0.258 588 S C -0.156 174.624 174.600 0.300 0.000 1.068 588 S CA -0.417 57.949 58.200 0.276 0.000 1.115 588 S CB 0.200 63.621 63.200 0.369 0.000 1.078 588 S HN 0.625 nan 8.310 nan 0.000 0.603 589 H N 0.157 119.310 119.070 0.139 0.000 2.980 589 H HA 0.639 5.201 4.556 0.011 0.000 0.367 589 H C -1.497 173.897 175.328 0.110 0.000 1.206 589 H CA -0.921 55.207 56.048 0.133 0.000 1.126 589 H CB 1.100 30.965 29.762 0.172 0.000 1.838 589 H HN 0.148 nan 8.280 nan 0.000 0.552 590 L N 2.724 124.072 121.223 0.207 0.000 2.268 590 L HA 0.197 4.544 4.340 0.011 0.000 0.289 590 L C -0.179 176.782 176.870 0.152 0.000 1.064 590 L CA -0.128 54.801 54.840 0.148 0.000 0.824 590 L CB -0.485 41.632 42.059 0.096 0.000 1.202 590 L HN 0.607 nan 8.230 nan 0.000 0.433 591 H N 6.479 125.583 119.070 0.056 0.000 2.629 591 H HA 0.248 4.811 4.556 0.011 0.000 0.357 591 H C -1.988 173.340 175.328 0.000 0.000 1.121 591 H CA -1.890 54.171 56.048 0.022 0.000 1.406 591 H CB 1.655 31.411 29.762 -0.010 0.000 1.456 591 H HN 0.451 nan 8.280 nan 0.000 0.579 592 P HA -0.144 nan 4.420 nan 0.000 0.217 592 P C 1.931 179.346 177.300 0.191 0.000 1.150 592 P CA 0.561 63.781 63.100 0.199 0.000 0.832 592 P CB 0.450 32.208 31.700 0.096 0.000 0.787 593 L N -0.837 120.529 121.223 0.239 0.000 2.083 593 L HA -0.147 4.200 4.340 0.011 0.000 0.209 593 L C 2.225 179.005 176.870 -0.150 0.000 1.083 593 L CA 2.247 56.985 54.840 -0.170 0.000 0.752 593 L CB -1.704 40.046 42.059 -0.514 0.000 0.899 593 L HN -0.010 nan 8.230 nan 0.000 0.433 594 A N 0.509 123.271 122.820 -0.097 0.000 1.929 594 A HA -0.176 4.151 4.320 0.011 0.000 0.216 594 A C 1.985 179.568 177.584 -0.001 0.000 1.176 594 A CA 1.159 53.152 52.037 -0.073 0.000 0.628 594 A CB -0.379 18.589 19.000 -0.053 0.000 0.816 594 A HN 0.644 nan 8.150 nan 0.000 0.444 595 E N -0.631 119.595 120.200 0.043 0.000 2.478 595 E HA -0.072 4.285 4.350 0.011 0.000 0.198 595 E C 1.449 178.086 176.600 0.061 0.000 1.046 595 E CA 0.714 57.144 56.400 0.049 0.000 0.870 595 E CB -0.108 29.627 29.700 0.057 0.000 0.818 595 E HN 0.588 nan 8.360 nan 0.000 0.527 596 R N -1.385 119.175 120.500 0.100 0.000 2.469 596 R HA 0.186 4.533 4.340 0.011 0.000 0.250 596 R C 0.249 176.674 176.300 0.208 0.000 0.909 596 R CA 0.093 56.287 56.100 0.156 0.000 1.050 596 R CB 0.537 30.962 30.300 0.208 0.000 1.256 596 R HN 0.112 nan 8.270 nan 0.000 0.550 597 Y N -0.709 119.516 120.300 -0.126 0.000 2.499 597 Y HA 0.480 5.037 4.550 0.011 0.000 0.253 597 Y C 0.346 176.035 175.900 -0.350 0.000 1.105 597 Y CA -0.910 57.074 58.100 -0.193 0.000 1.240 597 Y CB 1.034 39.381 38.460 -0.187 0.000 1.289 597 Y HN -0.060 nan 8.280 nan 0.000 0.534 598 A N -1.028 121.688 122.820 -0.173 0.000 2.294 598 A HA 0.561 4.888 4.320 0.011 0.000 0.330 598 A C -0.190 177.212 177.584 -0.303 0.000 1.133 598 A CA -0.218 51.636 52.037 -0.304 0.000 0.836 598 A CB 0.565 19.469 19.000 -0.159 0.000 1.190 598 A HN 0.520 nan 8.150 nan 0.000 0.492 599 H N -0.685 118.328 119.070 -0.094 0.000 2.800 599 H HA 0.358 4.921 4.556 0.011 0.000 0.257 599 H C -0.746 174.569 175.328 -0.023 0.000 0.967 599 H CA 0.211 56.237 56.048 -0.036 0.000 1.192 599 H CB 1.105 30.878 29.762 0.018 0.000 1.441 599 H HN 0.287 nan 8.280 nan 0.000 0.461 600 V N 2.134 122.033 119.914 -0.024 0.000 2.567 600 V HA 0.238 4.364 4.120 0.011 0.000 0.298 600 V C -0.870 175.206 176.094 -0.029 0.000 1.047 600 V CA -0.884 61.419 62.300 0.005 0.000 0.880 600 V CB 2.398 34.262 31.823 0.068 0.000 1.009 600 V HN -0.067 nan 8.190 nan 0.000 0.429 601 V N 6.209 126.111 119.914 -0.019 0.000 2.347 601 V HA 0.527 4.653 4.120 0.011 0.000 0.280 601 V C -0.511 175.568 176.094 -0.025 0.000 1.021 601 V CA -0.522 61.777 62.300 -0.002 0.000 0.847 601 V CB 1.418 33.246 31.823 0.009 0.000 0.990 601 V HN 0.587 nan 8.190 nan 0.000 0.444 602 L N 8.346 129.591 121.223 0.036 0.000 2.307 602 L HA 0.572 4.919 4.340 0.011 0.000 0.284 602 L C -2.206 174.821 176.870 0.262 0.000 1.023 602 L CA -1.913 52.935 54.840 0.013 0.000 0.810 602 L CB 1.773 43.830 42.059 -0.003 0.000 1.231 602 L HN 0.393 nan 8.230 nan 0.000 0.423 603 P HA 0.262 nan 4.420 nan 0.000 0.271 603 P C -1.071 176.447 177.300 0.363 0.000 1.220 603 P CA -0.139 63.113 63.100 0.253 0.000 0.768 603 P CB 1.270 33.096 31.700 0.211 0.000 0.848 604 A N 5.409 128.335 122.820 0.177 0.000 2.430 604 A HA 0.870 5.197 4.320 0.011 0.000 0.300 604 A C -2.765 174.849 177.584 0.050 0.000 1.124 604 A CA -1.945 50.109 52.037 0.028 0.000 0.766 604 A CB 0.969 19.659 19.000 -0.517 0.000 1.328 604 A HN 0.305 nan 8.150 nan 0.000 0.424 605 P HA 0.404 nan 4.420 nan 0.000 0.290 605 P C 0.243 177.581 177.300 0.063 0.000 1.275 605 P CA -0.218 62.908 63.100 0.045 0.000 0.841 605 P CB 1.159 32.881 31.700 0.036 0.000 1.042 606 T N -0.522 114.073 114.554 0.069 0.000 2.640 606 T HA 0.030 4.386 4.350 0.011 0.000 0.316 606 T C 1.068 175.809 174.700 0.069 0.000 1.036 606 T CA 0.003 62.169 62.100 0.110 0.000 1.009 606 T CB -0.198 68.673 68.868 0.005 0.000 1.017 606 T HN 0.412 nan 8.240 nan 0.000 0.530 607 F N -1.210 118.730 119.950 -0.017 0.000 2.456 607 F HA 0.191 4.725 4.527 0.011 0.000 0.298 607 F C 1.844 177.585 175.800 -0.099 0.000 1.104 607 F CA -0.187 57.754 58.000 -0.099 0.000 1.435 607 F CB -0.994 37.908 39.000 -0.162 0.000 1.078 607 F HN 0.467 nan 8.300 nan 0.000 0.546 608 Y N 2.204 122.046 120.300 -0.765 0.000 2.483 608 Y HA -0.099 4.458 4.550 0.012 0.000 0.291 608 Y C 1.565 177.309 175.900 -0.261 0.000 1.143 608 Y CA 1.226 58.978 58.100 -0.579 0.000 1.289 608 Y CB -0.639 37.470 38.460 -0.586 0.000 0.983 608 Y HN 0.440 nan 8.280 nan 0.000 0.556 609 E N -0.634 119.536 120.200 -0.050 0.000 2.789 609 E HA 0.211 4.567 4.350 0.011 0.000 0.208 609 E C -0.445 176.141 176.600 -0.024 0.000 0.988 609 E CA -0.222 56.158 56.400 -0.032 0.000 1.092 609 E CB 0.221 29.900 29.700 -0.035 0.000 1.066 609 E HN 0.170 nan 8.360 nan 0.000 0.465 610 K N 1.434 121.825 120.400 -0.015 0.000 2.203 610 K HA 0.432 4.759 4.320 0.011 0.000 0.251 610 K C -0.566 176.000 176.600 -0.058 0.000 0.944 610 K CA -0.834 55.442 56.287 -0.019 0.000 0.829 610 K CB 2.569 35.078 32.500 0.015 0.000 1.125 610 K HN -0.036 nan 8.250 nan 0.000 0.430 611 R N 1.021 121.447 120.500 -0.122 0.000 2.338 611 R HA 0.547 4.894 4.340 0.011 0.000 0.317 611 R C -0.577 175.533 176.300 -0.316 0.000 0.968 611 R CA -0.160 55.790 56.100 -0.250 0.000 0.849 611 R CB 1.169 31.243 30.300 -0.377 0.000 1.128 611 R HN 0.906 nan 8.270 nan 0.000 0.448 612 G N 2.245 110.880 108.800 -0.275 0.000 2.333 612 G HA2 0.127 4.093 3.960 0.011 0.000 0.288 612 G HA3 0.127 4.093 3.960 0.011 0.000 0.288 612 G C -1.826 172.979 174.900 -0.159 0.000 1.286 612 G CA -0.775 44.188 45.100 -0.228 0.000 0.865 612 G HN 0.555 nan 8.290 nan 0.000 0.506 613 H N -0.973 118.134 119.070 0.062 0.000 2.737 613 H HA 0.867 5.430 4.556 0.011 0.000 0.358 613 H C -0.249 175.079 175.328 -0.001 0.000 1.187 613 H CA -0.525 55.543 56.048 0.033 0.000 1.221 613 H CB 1.573 31.359 29.762 0.040 0.000 1.799 613 H HN 0.456 nan 8.280 nan 0.000 0.568 614 L N 0.414 121.715 121.223 0.130 0.000 2.359 614 L HA 0.490 4.836 4.340 0.011 0.000 0.256 614 L C -0.744 176.130 176.870 0.007 0.000 1.026 614 L CA -1.226 53.633 54.840 0.031 0.000 0.828 614 L CB 2.712 44.774 42.059 0.004 0.000 1.406 614 L HN 0.177 nan 8.230 nan 0.000 0.413 615 V N 1.232 121.132 119.914 -0.024 0.000 2.409 615 V HA 0.314 4.441 4.120 0.011 0.000 0.291 615 V C 0.031 176.114 176.094 -0.017 0.000 1.020 615 V CA -0.768 61.520 62.300 -0.021 0.000 0.848 615 V CB 1.465 33.270 31.823 -0.030 0.000 0.990 615 V HN 0.652 nan 8.190 nan 0.000 0.430 616 N N 2.640 121.336 118.700 -0.007 0.000 2.381 616 N HA 0.090 4.837 4.740 0.011 0.000 0.241 616 N C 1.185 176.699 175.510 0.007 0.000 1.279 616 N CA -0.068 52.981 53.050 -0.003 0.000 0.896 616 N CB 0.982 39.470 38.487 0.001 0.000 1.118 616 N HN 0.779 nan 8.380 nan 0.000 0.438 617 L N 0.639 121.865 121.223 0.004 0.000 2.362 617 L HA -0.006 4.341 4.340 0.011 0.000 0.219 617 L C 0.930 177.812 176.870 0.021 0.000 1.134 617 L CA 1.411 56.258 54.840 0.012 0.000 0.807 617 L CB -0.219 41.840 42.059 -0.001 0.000 0.927 617 L HN 0.677 nan 8.230 nan 0.000 0.447 618 E N -0.520 119.691 120.200 0.018 0.000 2.499 618 E HA 0.292 4.648 4.350 0.011 0.000 0.199 618 E C 1.173 177.791 176.600 0.031 0.000 1.016 618 E CA 0.230 56.643 56.400 0.022 0.000 0.933 618 E CB 0.379 30.086 29.700 0.011 0.000 1.050 618 E HN 0.372 nan 8.360 nan 0.000 0.462 619 G N 1.519 110.342 108.800 0.037 0.000 2.162 619 G HA2 -0.379 3.588 3.960 0.011 0.000 0.260 619 G HA3 -0.379 3.588 3.960 0.011 0.000 0.260 619 G C 0.293 175.208 174.900 0.026 0.000 0.976 619 G CA 0.461 45.588 45.100 0.045 0.000 0.655 619 G HN 0.386 nan 8.290 nan 0.000 0.533 620 R N -0.353 120.154 120.500 0.013 0.000 2.580 620 R HA 0.642 4.988 4.340 0.011 0.000 0.267 620 R C 0.428 176.721 176.300 -0.012 0.000 1.125 620 R CA 0.153 56.253 56.100 -0.000 0.000 1.188 620 R CB 0.881 31.180 30.300 -0.003 0.000 1.155 620 R HN 0.636 nan 8.270 nan 0.000 0.586 621 V N 0.668 120.564 119.914 -0.030 0.000 2.483 621 V HA 0.542 4.668 4.120 0.011 0.000 0.297 621 V C -1.035 175.021 176.094 -0.064 0.000 1.027 621 V CA -0.997 61.274 62.300 -0.049 0.000 0.855 621 V CB 1.462 33.237 31.823 -0.080 0.000 0.995 621 V HN 0.472 nan 8.190 nan 0.000 0.424 622 L N 6.682 127.887 121.223 -0.030 0.000 2.346 622 L HA 0.732 5.079 4.340 0.011 0.000 0.274 622 L C -2.313 174.586 176.870 0.047 0.000 1.007 622 L CA -1.710 53.125 54.840 -0.009 0.000 0.818 622 L CB 2.561 44.628 42.059 0.012 0.000 1.284 622 L HN 0.482 nan 8.230 nan 0.000 0.424 623 P HA 0.166 nan 4.420 nan 0.000 0.275 623 P C -1.199 176.184 177.300 0.138 0.000 1.227 623 P CA -0.384 62.829 63.100 0.188 0.000 0.781 623 P CB 1.580 33.355 31.700 0.125 0.000 0.906 624 L N 2.508 123.813 121.223 0.136 0.000 2.316 624 L HA 0.382 4.728 4.340 0.011 0.000 0.280 624 L C -0.118 176.769 176.870 0.027 0.000 1.006 624 L CA -0.156 54.731 54.840 0.079 0.000 0.836 624 L CB 1.158 43.260 42.059 0.072 0.000 1.221 624 L HN 0.263 nan 8.230 nan 0.000 0.418 625 S N 5.824 121.542 115.700 0.029 0.000 2.654 625 S HA 0.705 5.182 4.470 0.011 0.000 0.283 625 S C -2.575 172.017 174.600 -0.013 0.000 1.180 625 S CA -0.903 57.295 58.200 -0.004 0.000 1.021 625 S CB 1.398 64.603 63.200 0.008 0.000 1.018 625 S HN 0.504 nan 8.310 nan 0.000 0.532 626 P HA 0.407 nan 4.420 nan 0.000 0.300 626 P C -1.415 175.864 177.300 -0.035 0.000 1.356 626 P CA -0.493 62.585 63.100 -0.037 0.000 0.823 626 P CB 0.950 32.617 31.700 -0.054 0.000 0.934 627 A N 6.019 128.817 122.820 -0.036 0.000 2.371 627 A HA 0.464 4.791 4.320 0.011 0.000 0.257 627 A C -1.801 175.746 177.584 -0.061 0.000 1.089 627 A CA -1.471 50.534 52.037 -0.054 0.000 0.794 627 A CB -0.738 18.215 19.000 -0.078 0.000 1.029 627 A HN 0.348 nan 8.150 nan 0.000 0.488 628 P HA 0.118 nan 4.420 nan 0.000 0.269 628 P C -0.406 176.853 177.300 -0.068 0.000 1.601 628 P CA 0.275 63.341 63.100 -0.057 0.000 0.831 628 P CB -0.511 31.159 31.700 -0.050 0.000 1.688 629 I N -0.607 119.914 120.570 -0.082 0.000 3.021 629 I HA 0.129 4.306 4.170 0.011 0.000 0.303 629 I C 1.110 177.185 176.117 -0.070 0.000 1.044 629 I CA -0.839 60.404 61.300 -0.095 0.000 1.266 629 I CB 0.480 38.402 38.000 -0.130 0.000 1.447 629 I HN -0.133 nan 8.210 nan 0.000 0.593 630 E N 3.402 123.560 120.200 -0.071 0.000 1.858 630 E HA -0.034 4.323 4.350 0.011 0.000 0.267 630 E C 0.739 177.313 176.600 -0.043 0.000 1.215 630 E CA -0.114 56.256 56.400 -0.050 0.000 0.952 630 E CB -0.174 29.497 29.700 -0.048 0.000 1.058 630 E HN 0.504 nan 8.360 nan 0.000 0.407 631 N N 4.065 122.750 118.700 -0.024 0.000 2.494 631 N HA -0.047 4.700 4.740 0.011 0.000 0.182 631 N C 1.126 176.649 175.510 0.022 0.000 1.076 631 N CA 0.636 53.684 53.050 -0.003 0.000 0.908 631 N CB -0.204 38.287 38.487 0.007 0.000 0.967 631 N HN 0.488 nan 8.380 nan 0.000 0.449 632 G N 1.804 110.614 108.800 0.016 0.000 2.596 632 G HA2 -0.375 3.592 3.960 0.011 0.000 0.295 632 G HA3 -0.375 3.592 3.960 0.011 0.000 0.295 632 G C -0.286 174.657 174.900 0.070 0.000 1.240 632 G CA 0.456 45.578 45.100 0.037 0.000 0.985 632 G HN 0.473 nan 8.290 nan 0.000 0.555 633 E N 1.385 121.655 120.200 0.117 0.000 2.464 633 E HA 0.549 4.906 4.350 0.011 0.000 0.260 633 E C 0.531 177.316 176.600 0.307 0.000 1.318 633 E CA 0.234 56.749 56.400 0.191 0.000 1.571 633 E CB -0.542 29.296 29.700 0.230 0.000 1.525 633 E HN 0.854 nan 8.360 nan 0.000 0.449 634 A N 1.652 124.603 122.820 0.217 0.000 2.320 634 A HA 0.613 4.940 4.320 0.011 0.000 0.334 634 A C -0.370 177.331 177.584 0.194 0.000 1.147 634 A CA -0.649 51.558 52.037 0.284 0.000 0.820 634 A CB 1.142 20.257 19.000 0.192 0.000 1.218 634 A HN 0.306 nan 8.150 nan 0.000 0.482 635 E N 0.078 120.439 120.200 0.269 0.000 2.317 635 E HA 0.498 4.855 4.350 0.011 0.000 0.270 635 E C 0.130 176.870 176.600 0.233 0.000 0.885 635 E CA -0.442 56.006 56.400 0.080 0.000 0.760 635 E CB 1.968 31.499 29.700 -0.282 0.000 1.227 635 E HN 0.883 nan 8.360 nan 0.000 0.434 636 G N 0.242 109.123 108.800 0.135 0.000 2.636 636 G HA2 0.281 4.248 3.960 0.011 0.000 0.246 636 G HA3 0.281 4.248 3.960 0.011 0.000 0.246 636 G C 0.775 175.865 174.900 0.317 0.000 1.216 636 G CA 0.336 45.547 45.100 0.186 0.000 0.854 636 G HN 0.466 nan 8.290 nan 0.000 0.572 637 A N 0.561 123.608 122.820 0.378 0.000 2.119 637 A HA 0.059 4.386 4.320 0.011 0.000 0.217 637 A C 2.229 179.889 177.584 0.126 0.000 1.153 637 A CA 1.246 53.517 52.037 0.391 0.000 0.692 637 A CB -0.363 18.889 19.000 0.420 0.000 0.799 637 A HN 0.632 nan 8.150 nan 0.000 0.458 638 L N 0.018 121.295 121.223 0.090 0.000 1.956 638 L HA -0.258 4.088 4.340 0.011 0.000 0.216 638 L C 2.505 179.381 176.870 0.010 0.000 1.073 638 L CA 2.906 57.765 54.840 0.032 0.000 0.762 638 L CB -1.070 41.019 42.059 0.051 0.000 0.889 638 L HN 0.547 nan 8.230 nan 0.000 0.433 639 Q N -1.000 118.804 119.800 0.007 0.000 1.993 639 Q HA -0.175 4.172 4.340 0.011 0.000 0.202 639 Q C 2.088 178.058 176.000 -0.051 0.000 0.984 639 Q CA 2.797 58.574 55.803 -0.043 0.000 0.837 639 Q CB -0.638 28.039 28.738 -0.103 0.000 0.902 639 Q HN 0.375 nan 8.270 nan 0.000 0.423 640 V N 0.889 120.787 119.914 -0.027 0.000 2.370 640 V HA -0.310 3.817 4.120 0.011 0.000 0.252 640 V C 2.346 178.387 176.094 -0.089 0.000 1.068 640 V CA 1.833 64.119 62.300 -0.023 0.000 1.061 640 V CB -0.612 31.125 31.823 -0.145 0.000 0.656 640 V HN 0.440 nan 8.190 nan 0.000 0.455 641 L N -0.329 120.809 121.223 -0.142 0.000 2.017 641 L HA -0.186 4.161 4.340 0.011 0.000 0.208 641 L C 2.705 179.515 176.870 -0.099 0.000 1.073 641 L CA 1.755 56.471 54.840 -0.206 0.000 0.745 641 L CB -0.807 41.128 42.059 -0.207 0.000 0.894 641 L HN 0.405 nan 8.230 nan 0.000 0.432 642 A N -0.482 122.306 122.820 -0.052 0.000 2.024 642 A HA -0.216 4.110 4.320 0.011 0.000 0.220 642 A C 2.130 179.718 177.584 0.006 0.000 1.164 642 A CA 1.368 53.396 52.037 -0.015 0.000 0.643 642 A CB -0.497 18.498 19.000 -0.009 0.000 0.806 642 A HN 0.328 nan 8.150 nan 0.000 0.451 643 L N -1.524 119.705 121.223 0.010 0.000 2.217 643 L HA 0.070 4.417 4.340 0.011 0.000 0.211 643 L C 1.931 178.933 176.870 0.219 0.000 1.107 643 L CA 1.071 55.966 54.840 0.092 0.000 0.783 643 L CB -0.261 41.862 42.059 0.107 0.000 0.919 643 L HN 0.338 nan 8.230 nan 0.000 0.442 644 L N -1.502 119.780 121.223 0.099 0.000 2.509 644 L HA 0.211 4.558 4.340 0.011 0.000 0.222 644 L C 2.175 179.077 176.870 0.053 0.000 1.123 644 L CA 1.099 55.987 54.840 0.081 0.000 0.856 644 L CB -0.436 41.613 42.059 -0.016 0.000 0.985 644 L HN 0.199 nan 8.230 nan 0.000 0.456 645 A N -1.240 121.608 122.820 0.045 0.000 1.911 645 A HA -0.051 4.276 4.320 0.011 0.000 0.212 645 A C 2.134 179.753 177.584 0.059 0.000 1.189 645 A CA 0.798 52.855 52.037 0.033 0.000 0.639 645 A CB -0.208 18.804 19.000 0.020 0.000 0.839 645 A HN 0.410 nan 8.150 nan 0.000 0.449 646 E N 0.074 120.338 120.200 0.107 0.000 2.017 646 E HA -0.127 4.230 4.350 0.011 0.000 0.193 646 E C 2.139 178.808 176.600 0.115 0.000 0.997 646 E CA 0.984 57.469 56.400 0.141 0.000 0.804 646 E CB -0.303 29.547 29.700 0.250 0.000 0.757 646 E HN 0.545 nan 8.360 nan 0.000 0.448 647 A N 0.600 123.503 122.820 0.139 0.000 2.285 647 A HA -0.121 4.206 4.320 0.011 0.000 0.214 647 A C 1.672 179.236 177.584 -0.034 0.000 1.188 647 A CA 0.998 53.036 52.037 0.003 0.000 0.707 647 A CB -0.234 18.762 19.000 -0.006 0.000 0.771 647 A HN 0.180 nan 8.150 nan 0.000 0.488 648 L N -2.825 118.395 121.223 -0.005 0.000 3.298 648 L HA 0.397 4.744 4.340 0.011 0.000 0.296 648 L C 1.142 178.001 176.870 -0.019 0.000 1.237 648 L CA 0.215 55.037 54.840 -0.030 0.000 1.038 648 L CB 0.344 42.389 42.059 -0.022 0.000 1.423 648 L HN 0.552 nan 8.230 nan 0.000 0.605 649 G N 0.153 108.950 108.800 -0.004 0.000 2.731 649 G HA2 -0.218 3.749 3.960 0.011 0.000 0.218 649 G HA3 -0.218 3.749 3.960 0.011 0.000 0.218 649 G C -0.251 174.657 174.900 0.013 0.000 1.349 649 G CA -0.333 44.766 45.100 -0.001 0.000 1.225 649 G HN -0.191 nan 8.290 nan 0.000 0.526 650 V N 3.709 123.630 119.914 0.011 0.000 2.644 650 V HA 0.348 4.475 4.120 0.011 0.000 0.305 650 V C 1.421 177.530 176.094 0.025 0.000 1.053 650 V CA 1.213 63.523 62.300 0.017 0.000 1.186 650 V CB 0.485 32.317 31.823 0.016 0.000 0.895 650 V HN 1.044 nan 8.190 nan 0.000 0.490 651 R N 8.129 128.645 120.500 0.027 0.000 2.643 651 R HA 0.333 4.680 4.340 0.011 0.000 0.270 651 R C -2.404 173.918 176.300 0.038 0.000 1.061 651 R CA -1.167 54.952 56.100 0.031 0.000 1.107 651 R CB -0.633 29.681 30.300 0.023 0.000 0.999 651 R HN 0.492 nan 8.270 nan 0.000 0.460 652 P HA 0.127 nan 4.420 nan 0.000 0.271 652 P C -2.169 175.193 177.300 0.102 0.000 1.216 652 P CA -1.491 61.657 63.100 0.079 0.000 0.776 652 P CB 0.795 32.536 31.700 0.069 0.000 0.881 653 P HA 0.157 nan 4.420 nan 0.000 0.245 653 P C -0.413 176.890 177.300 0.004 0.000 1.206 653 P CA 0.825 63.986 63.100 0.102 0.000 0.781 653 P CB 0.098 31.884 31.700 0.144 0.000 0.994 654 F N -1.018 118.914 119.950 -0.029 0.000 2.532 654 F HA 0.509 5.043 4.527 0.011 0.000 0.321 654 F C 1.452 177.230 175.800 -0.037 0.000 1.089 654 F CA -0.702 57.278 58.000 -0.034 0.000 0.926 654 F CB 1.840 40.822 39.000 -0.031 0.000 1.168 654 F HN -0.399 nan 8.300 nan 0.000 0.459 655 R N 0.789 121.358 120.500 0.115 0.000 2.420 655 R HA 0.514 4.861 4.340 0.011 0.000 0.126 655 R C -0.223 176.106 176.300 0.048 0.000 1.871 655 R CA -0.484 55.644 56.100 0.047 0.000 1.558 655 R CB -0.010 30.288 30.300 -0.005 0.000 1.338 655 R HN 0.373 nan 8.270 nan 0.000 0.471 656 L N 0.846 122.084 121.223 0.026 0.000 2.567 656 L HA 0.166 4.512 4.340 0.011 0.000 0.238 656 L C 1.635 178.552 176.870 0.078 0.000 1.168 656 L CA -0.337 54.528 54.840 0.041 0.000 0.817 656 L CB 0.251 42.321 42.059 0.018 0.000 1.409 656 L HN 0.508 nan 8.230 nan 0.000 0.502 657 H N 0.094 119.163 119.070 -0.002 0.000 2.448 657 H HA -0.024 4.539 4.556 0.011 0.000 0.292 657 H C 2.000 177.321 175.328 -0.012 0.000 1.035 657 H CA 1.111 57.157 56.048 -0.004 0.000 1.349 657 H CB 0.483 30.227 29.762 -0.029 0.000 1.425 657 H HN 0.494 nan 8.280 nan 0.000 0.539 658 L N 0.941 122.119 121.223 -0.075 0.000 2.081 658 L HA -0.173 4.173 4.340 0.011 0.000 0.212 658 L C 2.121 178.890 176.870 -0.169 0.000 1.080 658 L CA 1.610 56.377 54.840 -0.122 0.000 0.754 658 L CB -0.025 42.017 42.059 -0.027 0.000 0.893 658 L HN 0.288 nan 8.230 nan 0.000 0.433 659 E N -0.594 119.525 120.200 -0.136 0.000 2.166 659 E HA -0.013 4.344 4.350 0.011 0.000 0.192 659 E C 2.173 178.658 176.600 -0.192 0.000 0.967 659 E CA 0.929 57.239 56.400 -0.149 0.000 0.840 659 E CB -0.190 29.430 29.700 -0.132 0.000 0.795 659 E HN 0.516 nan 8.360 nan 0.000 0.470 660 A N 1.910 124.656 122.820 -0.124 0.000 1.978 660 A HA -0.216 4.111 4.320 0.011 0.000 0.220 660 A C 2.093 179.661 177.584 -0.026 0.000 1.170 660 A CA 1.227 53.282 52.037 0.030 0.000 0.636 660 A CB -0.364 18.814 19.000 0.296 0.000 0.810 660 A HN 0.072 nan 8.150 nan 0.000 0.448 661 Q N -0.212 119.479 119.800 -0.183 0.000 2.226 661 Q HA -0.144 4.203 4.340 0.011 0.000 0.204 661 Q C 1.591 177.548 176.000 -0.073 0.000 0.975 661 Q CA 1.144 56.856 55.803 -0.152 0.000 0.866 661 Q CB -0.212 28.378 28.738 -0.247 0.000 0.915 661 Q HN 0.553 nan 8.270 nan 0.000 0.440 662 K N -0.009 120.328 120.400 -0.105 0.000 2.217 662 K HA 0.049 4.375 4.320 0.011 0.000 0.202 662 K C 1.789 178.345 176.600 -0.073 0.000 1.051 662 K CA 0.926 57.160 56.287 -0.088 0.000 0.952 662 K CB -0.149 32.282 32.500 -0.114 0.000 0.736 662 K HN 0.126 nan 8.250 nan 0.000 0.453 663 A N 0.828 123.595 122.820 -0.088 0.000 2.067 663 A HA 0.038 4.365 4.320 0.011 0.000 0.217 663 A C 2.153 179.785 177.584 0.080 0.000 1.156 663 A CA 0.604 52.628 52.037 -0.022 0.000 0.683 663 A CB -0.324 18.634 19.000 -0.070 0.000 0.808 663 A HN 0.132 nan 8.150 nan 0.000 0.455 664 L N -0.995 120.276 121.223 0.079 0.000 2.162 664 L HA -0.013 4.334 4.340 0.011 0.000 0.205 664 L C 2.380 179.274 176.870 0.041 0.000 1.086 664 L CA 1.283 56.165 54.840 0.071 0.000 0.778 664 L CB -0.253 41.859 42.059 0.089 0.000 0.928 664 L HN 0.328 nan 8.230 nan 0.000 0.446 665 K N 0.422 120.838 120.400 0.026 0.000 2.574 665 K HA -0.065 4.261 4.320 0.011 0.000 0.193 665 K C 1.658 178.263 176.600 0.008 0.000 1.035 665 K CA 0.772 57.068 56.287 0.014 0.000 0.982 665 K CB 0.169 32.670 32.500 0.003 0.000 0.795 665 K HN 0.285 nan 8.250 nan 0.000 0.491 666 A N 0.270 123.096 122.820 0.010 0.000 2.014 666 A HA 0.095 4.422 4.320 0.011 0.000 0.210 666 A C 1.701 179.296 177.584 0.020 0.000 1.188 666 A CA -0.029 52.013 52.037 0.008 0.000 0.731 666 A CB 0.084 19.084 19.000 -0.001 0.000 0.858 666 A HN 0.087 nan 8.150 nan 0.000 0.464 667 R N -0.012 120.504 120.500 0.026 0.000 2.280 667 R HA 0.030 4.377 4.340 0.011 0.000 0.207 667 R C -0.211 176.101 176.300 0.021 0.000 1.043 667 R CA 0.671 56.785 56.100 0.023 0.000 1.006 667 R CB -0.493 29.815 30.300 0.012 0.000 0.885 667 R HN 0.616 nan 8.270 nan 0.000 0.467 668 K N -0.264 120.148 120.400 0.019 0.000 3.263 668 K HA -0.103 4.224 4.320 0.011 0.000 0.277 668 K C -0.430 176.180 176.600 0.017 0.000 1.207 668 K CA 0.507 56.806 56.287 0.020 0.000 0.818 668 K CB -1.936 30.580 32.500 0.025 0.000 1.313 668 K HN 0.054 nan 8.250 nan 0.000 0.512 669 V N 2.160 122.081 119.914 0.012 0.000 2.427 669 V HA 0.258 4.385 4.120 0.011 0.000 0.268 669 V C -1.390 174.706 176.094 0.004 0.000 1.046 669 V CA -1.505 60.798 62.300 0.005 0.000 0.970 669 V CB 0.498 32.322 31.823 0.001 0.000 1.001 669 V HN 0.145 nan 8.190 nan 0.000 0.476 670 P HA 0.035 nan 4.420 nan 0.000 0.271 670 P C 0.117 177.396 177.300 -0.036 0.000 1.233 670 P CA 0.035 63.127 63.100 -0.012 0.000 0.795 670 P CB 0.723 32.417 31.700 -0.010 0.000 0.936 671 E N -0.168 120.007 120.200 -0.041 0.000 3.056 671 E HA 0.300 4.657 4.350 0.011 0.000 0.275 671 E C 0.091 176.612 176.600 -0.130 0.000 1.468 671 E CA -0.669 55.688 56.400 -0.071 0.000 1.219 671 E CB 0.245 29.921 29.700 -0.040 0.000 1.119 671 E HN 0.550 nan 8.360 nan 0.000 0.710 672 A N 0.840 123.560 122.820 -0.167 0.000 2.483 672 A HA 0.137 4.464 4.320 0.011 0.000 0.238 672 A C 0.516 178.045 177.584 -0.091 0.000 1.070 672 A CA 0.155 52.084 52.037 -0.180 0.000 0.770 672 A CB 0.331 19.240 19.000 -0.152 0.000 1.008 672 A HN 0.787 nan 8.150 nan 0.000 0.497 673 M N -0.824 118.731 119.600 -0.076 0.000 2.937 673 M HA -0.173 4.314 4.480 0.011 0.000 0.191 673 M C 0.872 177.153 176.300 -0.032 0.000 0.626 673 M CA 1.511 56.786 55.300 -0.041 0.000 0.728 673 M CB -2.484 30.099 32.600 -0.029 0.000 2.616 673 M HN 1.162 nan 8.290 nan 0.000 0.285 674 G N 0.481 109.258 108.800 -0.038 0.000 2.588 674 G HA2 0.576 4.542 3.960 0.011 0.000 0.281 674 G HA3 0.576 4.542 3.960 0.011 0.000 0.281 674 G C -0.111 174.780 174.900 -0.015 0.000 1.236 674 G CA -0.528 44.559 45.100 -0.023 0.000 0.969 674 G HN 0.381 nan 8.290 nan 0.000 0.504 675 R N -0.394 120.105 120.500 -0.001 0.000 2.561 675 R HA 0.342 4.689 4.340 0.011 0.000 0.297 675 R C -1.058 175.257 176.300 0.025 0.000 0.969 675 R CA -0.834 55.273 56.100 0.012 0.000 0.879 675 R CB 2.206 32.518 30.300 0.019 0.000 1.178 675 R HN 0.316 nan 8.270 nan 0.000 0.445 676 L N 3.047 124.291 121.223 0.034 0.000 2.264 676 L HA 0.375 4.722 4.340 0.011 0.000 0.287 676 L C -0.731 176.200 176.870 0.101 0.000 1.039 676 L CA 0.008 54.880 54.840 0.054 0.000 0.829 676 L CB 1.457 43.533 42.059 0.030 0.000 1.211 676 L HN 0.615 nan 8.230 nan 0.000 0.427 677 S N 6.260 122.024 115.700 0.106 0.000 2.510 677 S HA 0.407 4.884 4.470 0.011 0.000 0.279 677 S C -0.619 174.116 174.600 0.225 0.000 1.284 677 S CA -0.033 58.245 58.200 0.129 0.000 1.059 677 S CB 0.235 63.485 63.200 0.084 0.000 0.901 677 S HN 0.519 nan 8.310 nan 0.000 0.491 678 F N 3.471 123.441 119.950 0.032 0.000 3.306 678 F HA 0.361 4.895 4.527 0.011 0.000 0.370 678 F C -0.728 175.095 175.800 0.038 0.000 1.251 678 F CA -0.519 57.501 58.000 0.033 0.000 1.276 678 F CB 0.728 39.748 39.000 0.034 0.000 1.682 678 F HN 0.446 nan 8.300 nan 0.000 0.697 679 R N 3.992 124.204 120.500 -0.480 0.000 2.598 679 R HA 0.830 5.177 4.340 0.011 0.000 0.279 679 R C -1.854 174.064 176.300 -0.636 0.000 0.984 679 R CA -1.367 54.473 56.100 -0.432 0.000 0.999 679 R CB 2.211 32.391 30.300 -0.201 0.000 1.114 679 R HN 0.584 nan 8.270 nan 0.000 0.493 680 L N 1.502 122.484 121.223 -0.401 0.000 2.482 680 L HA 0.349 4.696 4.340 0.011 0.000 0.269 680 L C -1.355 175.421 176.870 -0.157 0.000 0.967 680 L CA -0.246 54.415 54.840 -0.298 0.000 0.851 680 L CB 1.661 43.589 42.059 -0.219 0.000 1.242 680 L HN 0.471 nan 8.230 nan 0.000 0.404 681 K N 4.911 125.238 120.400 -0.121 0.000 2.347 681 K HA 0.652 4.978 4.320 0.011 0.000 0.262 681 K C -1.368 175.201 176.600 -0.050 0.000 1.052 681 K CA -0.108 56.124 56.287 -0.091 0.000 0.946 681 K CB 0.629 33.077 32.500 -0.087 0.000 1.220 681 K HN 0.828 nan 8.250 nan 0.000 0.450 682 E N 3.297 123.474 120.200 -0.038 0.000 2.532 682 E HA 0.190 4.547 4.350 0.011 0.000 0.289 682 E C -1.641 174.960 176.600 0.002 0.000 1.165 682 E CA -1.021 55.373 56.400 -0.010 0.000 0.926 682 E CB 0.244 29.950 29.700 0.009 0.000 1.164 682 E HN 0.330 nan 8.360 nan 0.000 0.436 683 L N -0.925 120.303 121.223 0.009 0.000 2.493 683 L HA 0.695 5.042 4.340 0.011 0.000 0.265 683 L C -0.819 176.065 176.870 0.023 0.000 0.954 683 L CA -1.271 53.581 54.840 0.019 0.000 0.844 683 L CB 2.018 44.084 42.059 0.012 0.000 1.302 683 L HN 0.654 nan 8.230 nan 0.000 0.405 684 R N 1.644 122.163 120.500 0.030 0.000 2.278 684 R HA 0.546 4.893 4.340 0.011 0.000 0.322 684 R C -2.684 173.627 176.300 0.018 0.000 1.058 684 R CA -1.463 54.651 56.100 0.023 0.000 0.991 684 R CB 0.737 31.053 30.300 0.027 0.000 1.140 684 R HN 0.445 nan 8.270 nan 0.000 0.518 685 P HA 0.168 nan 4.420 nan 0.000 0.286 685 P C -0.946 176.354 177.300 -0.001 0.000 1.293 685 P CA -0.422 62.684 63.100 0.011 0.000 0.770 685 P CB 0.851 32.556 31.700 0.008 0.000 1.206 686 K N -0.652 119.748 120.400 -0.001 0.000 2.610 686 K HA 0.123 4.449 4.320 0.011 0.000 0.267 686 K C -0.908 175.689 176.600 -0.005 0.000 0.943 686 K CA -0.565 55.714 56.287 -0.013 0.000 0.862 686 K CB 1.363 33.844 32.500 -0.030 0.000 1.376 686 K HN 0.577 nan 8.250 nan 0.000 0.412 687 E N 3.928 124.122 120.200 -0.009 0.000 2.360 687 E HA 0.210 4.567 4.350 0.011 0.000 0.269 687 E C -0.679 175.923 176.600 0.002 0.000 1.022 687 E CA -0.520 55.878 56.400 -0.002 0.000 0.887 687 E CB 0.820 30.516 29.700 -0.006 0.000 0.990 687 E HN 0.186 nan 8.360 nan 0.000 0.426 688 R N 3.062 123.571 120.500 0.014 0.000 2.337 688 R HA 0.134 4.481 4.340 0.011 0.000 0.319 688 R C -0.461 175.857 176.300 0.030 0.000 0.954 688 R CA -0.734 55.383 56.100 0.028 0.000 0.840 688 R CB 1.182 31.508 30.300 0.043 0.000 1.164 688 R HN 0.672 nan 8.270 nan 0.000 0.472 689 K N 1.172 121.593 120.400 0.035 0.000 2.449 689 K HA 0.148 4.475 4.320 0.011 0.000 0.237 689 K C 0.506 177.141 176.600 0.059 0.000 1.265 689 K CA -0.244 56.066 56.287 0.039 0.000 1.193 689 K CB -0.144 32.377 32.500 0.034 0.000 1.515 689 K HN 0.567 nan 8.250 nan 0.000 0.259 690 G N 1.313 110.136 108.800 0.038 0.000 2.230 690 G HA2 0.112 4.079 3.960 0.011 0.000 0.282 690 G HA3 0.112 4.079 3.960 0.011 0.000 0.282 690 G C 0.505 175.428 174.900 0.039 0.000 0.999 690 G CA 0.199 45.309 45.100 0.017 0.000 1.326 690 G HN 0.691 nan 8.290 nan 0.000 0.397 691 A N 3.089 125.969 122.820 0.101 0.000 1.773 691 A HA 0.641 4.968 4.320 0.011 0.000 0.210 691 A C 0.046 177.656 177.584 0.044 0.000 1.775 691 A CA 0.061 52.169 52.037 0.119 0.000 1.157 691 A CB 0.627 19.778 19.000 0.252 0.000 1.119 691 A HN 0.458 nan 8.150 nan 0.000 0.501 692 F N -0.565 119.446 119.950 0.101 0.000 2.520 692 F HA 0.588 5.122 4.527 0.011 0.000 0.322 692 F C -0.656 175.256 175.800 0.187 0.000 1.103 692 F CA -0.964 57.120 58.000 0.140 0.000 0.926 692 F CB 1.670 40.727 39.000 0.094 0.000 1.154 692 F HN 0.262 nan 8.300 nan 0.000 0.453 693 Y N 4.277 124.726 120.300 0.248 0.000 2.328 693 Y HA 0.530 5.087 4.550 0.011 0.000 0.337 693 Y C -0.911 175.018 175.900 0.049 0.000 1.008 693 Y CA -1.350 56.822 58.100 0.120 0.000 1.129 693 Y CB 0.845 39.352 38.460 0.078 0.000 1.185 693 Y HN 0.436 nan 8.280 nan 0.000 0.476 694 L N 8.183 129.106 121.223 -0.500 0.000 2.302 694 L HA 0.358 4.705 4.340 0.011 0.000 0.285 694 L C 0.446 176.771 176.870 -0.908 0.000 1.090 694 L CA -0.298 54.221 54.840 -0.534 0.000 0.866 694 L CB 0.196 42.063 42.059 -0.320 0.000 1.244 694 L HN 0.556 nan 8.230 nan 0.000 0.435 695 R N 6.635 126.654 120.500 -0.801 0.000 2.351 695 R HA 0.185 4.532 4.340 0.011 0.000 0.318 695 R C -2.187 173.845 176.300 -0.448 0.000 1.055 695 R CA -1.382 54.280 56.100 -0.730 0.000 0.968 695 R CB 0.676 30.558 30.300 -0.695 0.000 0.974 695 R HN 0.251 nan 8.270 nan 0.000 0.439 696 P HA -0.033 nan 4.420 nan 0.000 0.264 696 P C -0.738 176.484 177.300 -0.130 0.000 1.193 696 P CA 0.312 63.303 63.100 -0.181 0.000 0.763 696 P CB 0.912 32.563 31.700 -0.082 0.000 0.810 697 T N -0.310 114.167 114.554 -0.129 0.000 2.906 697 T HA 0.375 4.732 4.350 0.011 0.000 0.295 697 T C 1.052 175.712 174.700 -0.066 0.000 1.075 697 T CA -0.932 61.122 62.100 -0.076 0.000 1.005 697 T CB 1.683 70.503 68.868 -0.080 0.000 1.136 697 T HN 0.312 nan 8.240 nan 0.000 0.498 698 M N 0.069 119.642 119.600 -0.045 0.000 2.064 698 M HA 0.185 4.672 4.480 0.011 0.000 0.260 698 M C -0.290 175.892 176.300 -0.196 0.000 1.073 698 M CA 0.982 56.188 55.300 -0.157 0.000 1.124 698 M CB -0.023 32.429 32.600 -0.247 0.000 1.326 698 M HN 0.688 nan 8.290 nan 0.000 0.410 699 W N 3.090 124.321 121.300 -0.116 0.000 2.223 699 W HA 0.117 4.784 4.660 0.011 0.000 0.334 699 W C 0.167 176.573 176.519 -0.188 0.000 1.334 699 W CA -0.290 56.974 57.345 -0.136 0.000 1.246 699 W CB 0.083 29.482 29.460 -0.102 0.000 1.184 699 W HN 0.001 nan 8.180 nan 0.000 0.563 700 K N 1.765 122.141 120.400 -0.041 0.000 2.087 700 K HA 0.466 4.792 4.320 0.011 0.000 0.255 700 K C 0.861 177.315 176.600 -0.244 0.000 0.988 700 K CA -0.223 55.947 56.287 -0.195 0.000 0.915 700 K CB 1.007 33.319 32.500 -0.314 0.000 1.043 700 K HN 0.420 nan 8.250 nan 0.000 0.457 701 A N 1.243 123.938 122.820 -0.208 0.000 2.016 701 A HA -0.108 4.219 4.320 0.011 0.000 0.217 701 A C 1.323 178.784 177.584 -0.204 0.000 1.162 701 A CA 1.114 53.058 52.037 -0.155 0.000 0.662 701 A CB -0.777 18.170 19.000 -0.088 0.000 0.812 701 A HN 0.824 nan 8.150 nan 0.000 0.450 702 H N -0.717 118.186 119.070 -0.279 0.000 2.556 702 H HA 0.143 4.706 4.556 0.011 0.000 0.268 702 H C 0.853 175.862 175.328 -0.530 0.000 0.996 702 H CA 0.894 56.687 56.048 -0.425 0.000 1.157 702 H CB -0.253 29.130 29.762 -0.630 0.000 1.355 702 H HN 0.615 nan 8.280 nan 0.000 0.597 703 Q N 0.650 120.072 119.800 -0.630 0.000 2.360 703 Q HA 0.259 4.606 4.340 0.011 0.000 0.202 703 Q C 0.866 176.847 176.000 -0.032 0.000 0.915 703 Q CA 0.205 55.817 55.803 -0.319 0.000 0.943 703 Q CB 0.645 29.327 28.738 -0.093 0.000 1.064 703 Q HN 0.461 nan 8.270 nan 0.000 0.511 704 A N 1.802 124.574 122.820 -0.080 0.000 3.046 704 A HA 0.302 4.629 4.320 0.011 0.000 0.259 704 A C 0.159 177.743 177.584 0.002 0.000 1.843 704 A CA -0.140 51.860 52.037 -0.061 0.000 1.451 704 A CB -0.859 18.086 19.000 -0.091 0.000 1.025 704 A HN 0.137 nan 8.150 nan 0.000 0.625 705 V N -2.093 117.860 119.914 0.066 0.000 2.789 705 V HA 0.913 5.040 4.120 0.011 0.000 0.311 705 V C 0.825 176.973 176.094 0.089 0.000 1.073 705 V CA -0.147 62.215 62.300 0.103 0.000 0.921 705 V CB 0.725 32.672 31.823 0.208 0.000 1.009 705 V HN 1.845 nan 8.190 nan 0.000 0.426 706 G N 3.488 112.322 108.800 0.056 0.000 2.846 706 G HA2 -0.300 3.667 3.960 0.011 0.000 0.317 706 G HA3 -0.300 3.667 3.960 0.011 0.000 0.317 706 G C 0.859 175.759 174.900 -0.001 0.000 1.210 706 G CA 0.781 45.905 45.100 0.039 0.000 0.972 706 G HN 0.857 nan 8.290 nan 0.000 0.567 707 K N 1.054 121.470 120.400 0.027 0.000 2.128 707 K HA 0.393 4.720 4.320 0.011 0.000 0.202 707 K C 2.494 179.055 176.600 -0.065 0.000 1.050 707 K CA 1.117 57.376 56.287 -0.047 0.000 0.966 707 K CB -0.389 32.123 32.500 0.021 0.000 0.759 707 K HN 0.816 nan 8.250 nan 0.000 0.454 708 A N 2.158 125.079 122.820 0.169 0.000 2.233 708 A HA -0.064 4.263 4.320 0.011 0.000 0.230 708 A C 1.794 179.293 177.584 -0.140 0.000 1.347 708 A CA 0.329 52.415 52.037 0.080 0.000 1.087 708 A CB -0.527 18.577 19.000 0.174 0.000 0.871 708 A HN 0.330 nan 8.150 nan 0.000 0.519 709 Q N -0.554 119.167 119.800 -0.132 0.000 2.083 709 Q HA -0.111 4.236 4.340 0.011 0.000 0.198 709 Q C 1.487 177.381 176.000 -0.178 0.000 0.969 709 Q CA 1.343 57.069 55.803 -0.128 0.000 0.838 709 Q CB 0.073 28.752 28.738 -0.097 0.000 0.900 709 Q HN 0.617 nan 8.270 nan 0.000 0.436 710 E N -0.824 119.243 120.200 -0.223 0.000 2.364 710 E HA 0.067 4.424 4.350 0.011 0.000 0.196 710 E C 1.324 177.751 176.600 -0.289 0.000 0.990 710 E CA 0.621 56.892 56.400 -0.215 0.000 0.886 710 E CB 0.483 30.073 29.700 -0.184 0.000 0.866 710 E HN 0.357 nan 8.360 nan 0.000 0.493 711 A N 0.565 123.122 122.820 -0.439 0.000 2.208 711 A HA 0.212 4.539 4.320 0.011 0.000 0.209 711 A C 1.735 178.743 177.584 -0.960 0.000 1.161 711 A CA 1.067 52.693 52.037 -0.685 0.000 0.782 711 A CB 0.119 18.625 19.000 -0.824 0.000 0.816 711 A HN 0.110 nan 8.150 nan 0.000 0.477 712 A N -0.578 121.866 122.820 -0.628 0.000 2.606 712 A HA 0.438 4.765 4.320 0.011 0.000 0.290 712 A C 0.640 178.105 177.584 -0.199 0.000 1.174 712 A CA -0.399 51.420 52.037 -0.362 0.000 0.958 712 A CB -0.191 18.671 19.000 -0.230 0.000 1.194 712 A HN 0.383 nan 8.150 nan 0.000 0.526 713 R N 0.753 121.137 120.500 -0.193 0.000 2.490 713 R HA 0.564 4.911 4.340 0.011 0.000 0.280 713 R C 0.389 176.630 176.300 -0.099 0.000 1.077 713 R CA 0.401 56.426 56.100 -0.125 0.000 1.065 713 R CB 0.564 30.797 30.300 -0.112 0.000 1.003 713 R HN 0.308 nan 8.270 nan 0.000 0.470 714 A N 3.597 126.368 122.820 -0.081 0.000 2.366 714 A HA 0.252 4.579 4.320 0.011 0.000 0.249 714 A C -0.643 176.911 177.584 -0.050 0.000 1.084 714 A CA -0.173 51.818 52.037 -0.078 0.000 0.794 714 A CB 0.231 19.185 19.000 -0.076 0.000 1.034 714 A HN 0.881 nan 8.150 nan 0.000 0.491 715 E N 0.874 121.036 120.200 -0.062 0.000 2.343 715 E HA 0.532 4.889 4.350 0.011 0.000 0.278 715 E C -1.819 174.758 176.600 -0.039 0.000 0.910 715 E CA -0.755 55.648 56.400 0.006 0.000 0.757 715 E CB 1.406 31.179 29.700 0.122 0.000 1.218 715 E HN 0.482 nan 8.360 nan 0.000 0.435 716 L N 2.969 124.250 121.223 0.097 0.000 2.272 716 L HA 0.451 4.798 4.340 0.011 0.000 0.289 716 L C -1.233 175.847 176.870 0.351 0.000 1.032 716 L CA -0.747 54.178 54.840 0.141 0.000 0.810 716 L CB 0.509 42.660 42.059 0.153 0.000 1.205 716 L HN 0.620 nan 8.230 nan 0.000 0.422 717 W N 3.920 125.261 121.300 0.067 0.000 2.570 717 W HA 0.747 5.414 4.660 0.011 0.000 0.337 717 W C -0.064 176.438 176.519 -0.029 0.000 1.067 717 W CA -1.161 56.200 57.345 0.027 0.000 1.229 717 W CB 1.559 31.048 29.460 0.049 0.000 1.355 717 W HN 0.518 nan 8.180 nan 0.000 0.555 718 A N 1.344 124.276 122.820 0.187 0.000 2.604 718 A HA 0.447 4.774 4.320 0.011 0.000 0.295 718 A C -1.891 175.731 177.584 0.064 0.000 1.067 718 A CA -0.867 51.216 52.037 0.076 0.000 0.683 718 A CB 1.135 20.180 19.000 0.075 0.000 1.281 718 A HN 0.668 nan 8.150 nan 0.000 0.407 719 H N 2.230 121.255 119.070 -0.075 0.000 2.767 719 H HA 0.403 4.966 4.556 0.011 0.000 0.316 719 H C -1.916 173.326 175.328 -0.143 0.000 1.059 719 H CA -1.189 54.796 56.048 -0.104 0.000 1.461 719 H CB 1.143 30.831 29.762 -0.124 0.000 1.475 719 H HN 0.279 nan 8.280 nan 0.000 0.531 720 P HA -0.272 nan 4.420 nan 0.000 0.219 720 P C 0.756 177.721 177.300 -0.558 0.000 1.153 720 P CA 1.821 64.412 63.100 -0.849 0.000 0.865 720 P CB 0.323 31.539 31.700 -0.807 0.000 0.788 721 E N -1.068 118.845 120.200 -0.477 0.000 1.998 721 E HA -0.144 4.213 4.350 0.011 0.000 0.195 721 E C 2.188 178.745 176.600 -0.072 0.000 0.994 721 E CA 2.003 58.312 56.400 -0.152 0.000 0.835 721 E CB -1.000 28.719 29.700 0.033 0.000 0.786 721 E HN 0.312 nan 8.360 nan 0.000 0.467 722 T N 0.045 114.605 114.554 0.010 0.000 2.760 722 T HA -0.209 4.147 4.350 0.011 0.000 0.269 722 T C 2.014 176.705 174.700 -0.014 0.000 1.047 722 T CA 1.430 63.528 62.100 -0.003 0.000 1.139 722 T CB -0.431 68.436 68.868 -0.002 0.000 0.855 722 T HN 0.220 nan 8.240 nan 0.000 0.471 723 A N 2.016 124.818 122.820 -0.030 0.000 1.859 723 A HA -0.103 4.224 4.320 0.011 0.000 0.217 723 A C 2.538 180.145 177.584 0.038 0.000 1.198 723 A CA 1.880 53.931 52.037 0.024 0.000 0.629 723 A CB -0.855 18.178 19.000 0.056 0.000 0.830 723 A HN 0.527 nan 8.150 nan 0.000 0.446 724 R N -0.778 119.715 120.500 -0.012 0.000 2.276 724 R HA 0.136 4.482 4.340 0.011 0.000 0.203 724 R C 1.871 178.168 176.300 -0.004 0.000 1.017 724 R CA 0.731 56.835 56.100 0.007 0.000 1.010 724 R CB -0.205 30.074 30.300 -0.034 0.000 0.900 724 R HN 0.491 nan 8.270 nan 0.000 0.469 725 A N -0.005 122.806 122.820 -0.015 0.000 2.206 725 A HA -0.053 4.274 4.320 0.011 0.000 0.211 725 A C 1.152 178.737 177.584 0.002 0.000 1.158 725 A CA 0.705 52.737 52.037 -0.009 0.000 0.761 725 A CB 0.096 19.088 19.000 -0.014 0.000 0.801 725 A HN 0.330 nan 8.150 nan 0.000 0.473 726 E N -0.991 119.215 120.200 0.010 0.000 2.887 726 E HA 0.466 4.823 4.350 0.011 0.000 0.206 726 E C -0.002 176.615 176.600 0.028 0.000 0.983 726 E CA 0.273 56.684 56.400 0.018 0.000 1.141 726 E CB 0.209 29.920 29.700 0.017 0.000 1.061 726 E HN 0.686 nan 8.360 nan 0.000 0.468 727 A N 0.947 123.783 122.820 0.026 0.000 2.360 727 A HA -0.181 4.146 4.320 0.011 0.000 0.289 727 A C -0.534 177.073 177.584 0.037 0.000 1.437 727 A CA 0.749 52.803 52.037 0.028 0.000 0.734 727 A CB -1.866 17.149 19.000 0.024 0.000 1.145 727 A HN 0.362 nan 8.150 nan 0.000 0.374 728 L N 1.103 122.356 121.223 0.050 0.000 2.489 728 L HA 0.338 4.685 4.340 0.011 0.000 0.257 728 L C -2.166 174.739 176.870 0.059 0.000 1.215 728 L CA -1.817 53.056 54.840 0.054 0.000 0.915 728 L CB 1.707 43.809 42.059 0.070 0.000 1.146 728 L HN 0.267 nan 8.230 nan 0.000 0.494 729 P HA -0.044 nan 4.420 nan 0.000 0.272 729 P C 0.740 177.956 177.300 -0.140 0.000 1.243 729 P CA -0.029 63.064 63.100 -0.011 0.000 0.803 729 P CB 1.026 32.715 31.700 -0.017 0.000 0.974 730 E N 0.607 120.682 120.200 -0.209 0.000 1.997 730 E HA -0.087 4.270 4.350 0.011 0.000 0.201 730 E C 0.991 177.448 176.600 -0.238 0.000 1.011 730 E CA 1.920 58.084 56.400 -0.394 0.000 0.847 730 E CB -1.063 28.494 29.700 -0.238 0.000 0.787 730 E HN 0.526 nan 8.360 nan 0.000 0.472 731 G N -0.368 108.351 108.800 -0.135 0.000 3.444 731 G HA2 0.602 4.569 3.960 0.011 0.000 0.315 731 G HA3 0.602 4.569 3.960 0.011 0.000 0.315 731 G C -1.091 173.772 174.900 -0.062 0.000 1.079 731 G CA 0.152 45.198 45.100 -0.090 0.000 1.500 731 G HN 0.392 nan 8.290 nan 0.000 0.518 732 A N 2.011 124.799 122.820 -0.053 0.000 2.393 732 A HA 0.721 5.048 4.320 0.011 0.000 0.306 732 A C -0.111 177.462 177.584 -0.019 0.000 1.050 732 A CA -0.694 51.323 52.037 -0.033 0.000 0.724 732 A CB 1.597 20.581 19.000 -0.027 0.000 1.248 732 A HN 0.390 nan 8.150 nan 0.000 0.424 733 Q N 0.330 120.121 119.800 -0.016 0.000 2.373 733 Q HA 0.480 4.826 4.340 0.011 0.000 0.255 733 Q C -0.782 175.217 176.000 -0.001 0.000 0.980 733 Q CA 0.123 55.919 55.803 -0.010 0.000 0.882 733 Q CB 1.692 30.420 28.738 -0.016 0.000 1.249 733 Q HN 0.528 nan 8.270 nan 0.000 0.438 734 V N 0.879 120.797 119.914 0.006 0.000 2.737 734 V HA 0.320 4.447 4.120 0.011 0.000 0.298 734 V C -0.916 175.188 176.094 0.017 0.000 1.163 734 V CA -0.988 61.323 62.300 0.019 0.000 0.925 734 V CB 1.995 33.840 31.823 0.037 0.000 1.037 734 V HN 0.858 nan 8.190 nan 0.000 0.433 735 A N 4.984 127.812 122.820 0.014 0.000 2.444 735 A HA 0.629 4.956 4.320 0.011 0.000 0.273 735 A C -0.375 177.216 177.584 0.010 0.000 1.136 735 A CA 0.031 52.072 52.037 0.005 0.000 0.799 735 A CB 0.274 19.274 19.000 0.001 0.000 1.081 735 A HN 0.811 nan 8.150 nan 0.000 0.509 736 V N 3.649 123.558 119.914 -0.009 0.000 2.444 736 V HA 0.323 4.450 4.120 0.011 0.000 0.294 736 V C 0.047 176.083 176.094 -0.097 0.000 1.022 736 V CA -0.502 61.777 62.300 -0.035 0.000 0.850 736 V CB 1.491 33.303 31.823 -0.018 0.000 0.992 736 V HN 1.032 nan 8.190 nan 0.000 0.426 737 E N 2.820 122.944 120.200 -0.127 0.000 2.231 737 E HA 0.729 5.086 4.350 0.011 0.000 0.277 737 E C -0.753 175.714 176.600 -0.223 0.000 0.999 737 E CA -0.150 56.170 56.400 -0.134 0.000 0.827 737 E CB 1.591 31.240 29.700 -0.085 0.000 1.101 737 E HN 0.748 nan 8.360 nan 0.000 0.393 738 T N 4.111 118.564 114.554 -0.168 0.000 2.889 738 T HA 0.221 4.578 4.350 0.011 0.000 0.315 738 T C -2.270 172.357 174.700 -0.122 0.000 1.291 738 T CA -1.154 60.845 62.100 -0.169 0.000 1.028 738 T CB 1.551 70.337 68.868 -0.137 0.000 1.235 738 T HN 0.297 nan 8.240 nan 0.000 0.491 739 P HA 0.010 nan 4.420 nan 0.000 0.222 739 P C 0.522 177.564 177.300 -0.431 0.000 1.142 739 P CA 1.080 64.000 63.100 -0.300 0.000 0.788 739 P CB 0.001 31.477 31.700 -0.374 0.000 0.767 740 F N -1.758 118.132 119.950 -0.100 0.000 2.695 740 F HA 0.419 4.952 4.527 0.012 0.000 0.303 740 F C 1.523 177.282 175.800 -0.067 0.000 1.091 740 F CA 0.670 58.629 58.000 -0.067 0.000 1.300 740 F CB 0.249 39.229 39.000 -0.033 0.000 1.071 740 F HN -0.104 nan 8.300 nan 0.000 0.578 741 G N 0.583 109.403 108.800 0.033 0.000 2.353 741 G HA2 -0.001 3.966 3.960 0.011 0.000 0.424 741 G HA3 -0.001 3.966 3.960 0.011 0.000 0.424 741 G C -1.360 173.528 174.900 -0.020 0.000 1.320 741 G CA -1.256 43.844 45.100 0.001 0.000 0.995 741 G HN 0.054 nan 8.290 nan 0.000 0.580 742 R N 0.539 121.026 120.500 -0.023 0.000 2.280 742 R HA 0.549 4.896 4.340 0.011 0.000 0.326 742 R C -0.198 176.085 176.300 -0.029 0.000 1.080 742 R CA -0.329 55.750 56.100 -0.035 0.000 1.002 742 R CB 0.381 30.662 30.300 -0.032 0.000 1.136 742 R HN 0.459 nan 8.270 nan 0.000 0.509 743 V N 3.243 123.134 119.914 -0.038 0.000 2.837 743 V HA 0.325 4.452 4.120 0.011 0.000 0.310 743 V C 0.226 176.301 176.094 -0.032 0.000 1.059 743 V CA -0.653 61.625 62.300 -0.036 0.000 1.004 743 V CB 1.846 33.642 31.823 -0.044 0.000 1.045 743 V HN 0.677 nan 8.190 nan 0.000 0.465 744 E N 1.541 121.723 120.200 -0.031 0.000 2.199 744 E HA 0.761 5.118 4.350 0.011 0.000 0.269 744 E C -0.647 175.938 176.600 -0.024 0.000 0.899 744 E CA -0.576 55.810 56.400 -0.023 0.000 0.772 744 E CB 2.253 31.939 29.700 -0.024 0.000 1.155 744 E HN 0.850 nan 8.360 nan 0.000 0.408 745 A N 2.543 125.356 122.820 -0.011 0.000 2.587 745 A HA 0.580 4.907 4.320 0.011 0.000 0.293 745 A C -0.930 176.657 177.584 0.006 0.000 1.087 745 A CA -1.009 51.024 52.037 -0.006 0.000 0.692 745 A CB 1.289 20.290 19.000 0.001 0.000 1.291 745 A HN 0.727 nan 8.150 nan 0.000 0.407 746 R N 0.662 121.168 120.500 0.009 0.000 2.410 746 R HA 0.670 5.017 4.340 0.011 0.000 0.288 746 R C -0.379 175.951 176.300 0.050 0.000 1.051 746 R CA -0.466 55.643 56.100 0.014 0.000 1.021 746 R CB 1.315 31.615 30.300 -0.001 0.000 1.032 746 R HN 0.712 nan 8.270 nan 0.000 0.481 747 V N 3.196 123.128 119.914 0.030 0.000 2.743 747 V HA 0.552 4.678 4.120 0.011 0.000 0.301 747 V C -0.752 175.348 176.094 0.010 0.000 1.057 747 V CA -0.472 61.860 62.300 0.053 0.000 1.006 747 V CB 1.686 33.522 31.823 0.021 0.000 1.024 747 V HN 0.651 nan 8.190 nan 0.000 0.473 748 V N 5.411 125.361 119.914 0.061 0.000 2.733 748 V HA 0.434 4.560 4.120 0.011 0.000 0.306 748 V C -0.691 175.372 176.094 -0.051 0.000 1.084 748 V CA -0.663 61.605 62.300 -0.053 0.000 0.905 748 V CB 1.742 33.531 31.823 -0.056 0.000 1.010 748 V HN 1.041 nan 8.190 nan 0.000 0.424 749 H N 4.631 123.636 119.070 -0.109 0.000 2.690 749 H HA 0.566 5.129 4.556 0.011 0.000 0.314 749 H C -0.096 175.114 175.328 -0.197 0.000 1.069 749 H CA -0.359 55.608 56.048 -0.136 0.000 1.436 749 H CB 0.730 30.415 29.762 -0.129 0.000 1.462 749 H HN 0.403 nan 8.280 nan 0.000 0.511 750 R N 2.889 123.357 120.500 -0.054 0.000 2.510 750 R HA 0.062 4.409 4.340 0.011 0.000 0.294 750 R C 0.095 176.392 176.300 -0.006 0.000 1.056 750 R CA -0.504 55.524 56.100 -0.119 0.000 0.918 750 R CB 1.720 31.845 30.300 -0.291 0.000 1.187 750 R HN 0.756 nan 8.270 nan 0.000 0.437 751 E N 1.254 121.467 120.200 0.022 0.000 2.274 751 E HA -0.145 4.212 4.350 0.011 0.000 0.194 751 E C 0.558 177.232 176.600 0.124 0.000 0.996 751 E CA 0.963 57.457 56.400 0.157 0.000 0.840 751 E CB 0.289 30.046 29.700 0.095 0.000 0.772 751 E HN 0.553 nan 8.360 nan 0.000 0.491 752 D N 0.376 120.819 120.400 0.071 0.000 2.338 752 D HA -0.049 4.597 4.640 0.011 0.000 0.239 752 D C 0.151 176.517 176.300 0.110 0.000 1.095 752 D CA 0.193 54.248 54.000 0.092 0.000 0.888 752 D CB 0.118 40.993 40.800 0.124 0.000 0.899 752 D HN -0.097 nan 8.370 nan 0.000 0.525 753 V N 2.186 122.132 119.914 0.053 0.000 2.384 753 V HA 0.260 4.387 4.120 0.011 0.000 0.287 753 V C -2.160 173.859 176.094 -0.126 0.000 1.020 753 V CA -1.914 60.354 62.300 -0.054 0.000 0.850 753 V CB 1.627 33.364 31.823 -0.144 0.000 0.987 753 V HN -0.048 nan 8.190 nan 0.000 0.436 754 P HA 0.024 nan 4.420 nan 0.000 0.263 754 P C -0.364 176.723 177.300 -0.354 0.000 1.175 754 P CA 0.106 63.060 63.100 -0.244 0.000 0.761 754 P CB 0.451 32.059 31.700 -0.153 0.000 0.794 755 K N 1.760 121.933 120.400 -0.378 0.000 2.436 755 K HA 0.305 4.632 4.320 0.011 0.000 0.275 755 K C 1.502 177.889 176.600 -0.355 0.000 0.999 755 K CA 0.523 56.641 56.287 -0.282 0.000 0.980 755 K CB -0.262 32.095 32.500 -0.238 0.000 0.919 755 K HN 0.766 nan 8.250 nan 0.000 0.484 756 G N 1.538 110.216 108.800 -0.203 0.000 2.336 756 G HA2 -0.275 3.691 3.960 0.011 0.000 0.233 756 G HA3 -0.275 3.691 3.960 0.011 0.000 0.233 756 G C -0.220 174.645 174.900 -0.057 0.000 1.053 756 G CA -0.107 44.907 45.100 -0.145 0.000 0.625 756 G HN 0.804 nan 8.290 nan 0.000 0.511 757 H N -0.124 118.879 119.070 -0.111 0.000 2.481 757 H HA 0.628 5.191 4.556 0.011 0.000 0.339 757 H C -0.430 174.778 175.328 -0.201 0.000 1.131 757 H CA -0.802 55.166 56.048 -0.133 0.000 1.301 757 H CB 1.318 31.035 29.762 -0.076 0.000 1.476 757 H HN 0.179 nan 8.280 nan 0.000 0.529 758 L N 3.053 124.218 121.223 -0.097 0.000 2.343 758 L HA 0.225 4.572 4.340 0.011 0.000 0.278 758 L C -0.874 176.084 176.870 0.147 0.000 0.996 758 L CA -0.390 54.373 54.840 -0.128 0.000 0.831 758 L CB 0.641 42.458 42.059 -0.403 0.000 1.232 758 L HN 0.625 nan 8.230 nan 0.000 0.413 759 Y N 3.814 124.184 120.300 0.118 0.000 2.404 759 Y HA 0.344 4.901 4.550 0.011 0.000 0.344 759 Y C -0.006 175.848 175.900 -0.078 0.000 0.995 759 Y CA -0.958 57.182 58.100 0.067 0.000 1.201 759 Y CB 1.413 39.896 38.460 0.039 0.000 1.151 759 Y HN 0.381 nan 8.280 nan 0.000 0.517 760 L N 3.481 124.768 121.223 0.107 0.000 2.289 760 L HA 0.267 4.613 4.340 0.011 0.000 0.285 760 L C 0.313 177.040 176.870 -0.238 0.000 1.049 760 L CA -0.111 54.717 54.840 -0.020 0.000 0.804 760 L CB 1.603 43.721 42.059 0.097 0.000 1.195 760 L HN 0.441 nan 8.230 nan 0.000 0.428 761 S N 4.260 119.781 115.700 -0.298 0.000 2.560 761 S HA 0.362 4.839 4.470 0.011 0.000 0.323 761 S C 0.236 174.690 174.600 -0.244 0.000 1.191 761 S CA -0.209 57.791 58.200 -0.333 0.000 1.231 761 S CB -0.641 62.398 63.200 -0.268 0.000 1.224 761 S HN 0.778 nan 8.310 nan 0.000 0.545 762 A N 6.022 128.672 122.820 -0.283 0.000 2.415 762 A HA 0.407 4.733 4.320 0.011 0.000 0.309 762 A C 0.600 178.051 177.584 -0.222 0.000 1.356 762 A CA -0.423 51.459 52.037 -0.258 0.000 0.998 762 A CB -0.159 18.650 19.000 -0.318 0.000 1.145 762 A HN 0.913 nan 8.150 nan 0.000 0.545 763 L N 3.114 124.230 121.223 -0.178 0.000 2.737 763 L HA 0.323 4.670 4.340 0.011 0.000 0.236 763 L C 1.106 177.881 176.870 -0.158 0.000 1.219 763 L CA 0.099 54.851 54.840 -0.146 0.000 1.021 763 L CB -0.347 41.647 42.059 -0.109 0.000 1.291 763 L HN 0.757 nan 8.230 nan 0.000 0.470 764 G N -0.408 108.269 108.800 -0.204 0.000 3.086 764 G HA2 0.401 4.368 3.960 0.011 0.000 0.282 764 G HA3 0.401 4.368 3.960 0.011 0.000 0.282 764 G C -2.358 172.361 174.900 -0.302 0.000 1.343 764 G CA -0.447 44.516 45.100 -0.228 0.000 0.895 764 G HN -0.172 nan 8.290 nan 0.000 0.557 765 P HA 0.138 nan 4.420 nan 0.000 0.249 765 P C 0.850 177.950 177.300 -0.333 0.000 1.241 765 P CA 0.615 63.469 63.100 -0.410 0.000 0.781 765 P CB 0.536 31.908 31.700 -0.547 0.000 1.088 766 A N -0.208 122.410 122.820 -0.337 0.000 2.359 766 A HA 0.489 4.816 4.320 0.011 0.000 0.240 766 A C 1.072 178.464 177.584 -0.321 0.000 1.306 766 A CA -0.254 51.562 52.037 -0.369 0.000 0.898 766 A CB -0.690 17.775 19.000 -0.891 0.000 0.956 766 A HN 0.272 nan 8.150 nan 0.000 0.497 767 A N -1.310 121.362 122.820 -0.246 0.000 2.327 767 A HA 0.555 4.882 4.320 0.011 0.000 0.283 767 A C 1.310 178.788 177.584 -0.178 0.000 1.127 767 A CA 0.224 52.112 52.037 -0.248 0.000 0.810 767 A CB -0.043 18.820 19.000 -0.228 0.000 1.066 767 A HN 1.841 nan 8.150 nan 0.000 0.492 768 G N 0.437 109.086 108.800 -0.251 0.000 2.132 768 G HA2 -0.152 3.815 3.960 0.011 0.000 0.228 768 G HA3 -0.152 3.815 3.960 0.011 0.000 0.228 768 G C -0.192 174.728 174.900 0.033 0.000 1.000 768 G CA 0.353 45.403 45.100 -0.083 0.000 0.693 768 G HN 0.739 nan 8.290 nan 0.000 0.515 769 L N -0.500 120.692 121.223 -0.052 0.000 2.334 769 L HA 0.739 5.086 4.340 0.011 0.000 0.270 769 L C 0.750 177.698 176.870 0.131 0.000 1.018 769 L CA -1.248 53.630 54.840 0.063 0.000 0.811 769 L CB 1.467 43.564 42.059 0.063 0.000 1.271 769 L HN 0.122 nan 8.230 nan 0.000 0.443 770 R N 1.571 122.167 120.500 0.161 0.000 2.343 770 R HA 0.700 5.047 4.340 0.011 0.000 0.320 770 R C -1.450 174.936 176.300 0.145 0.000 0.956 770 R CA -0.663 55.544 56.100 0.179 0.000 0.836 770 R CB 1.765 32.147 30.300 0.137 0.000 1.151 770 R HN 0.275 nan 8.270 nan 0.000 0.450 771 V N 1.327 121.349 119.914 0.180 0.000 2.841 771 V HA 0.234 4.361 4.120 0.011 0.000 0.310 771 V C -0.147 176.050 176.094 0.173 0.000 1.090 771 V CA -1.232 61.156 62.300 0.147 0.000 0.930 771 V CB 2.365 34.277 31.823 0.148 0.000 1.014 771 V HN 0.635 nan 8.190 nan 0.000 0.425 772 E N 2.155 122.413 120.200 0.097 0.000 2.344 772 E HA 0.563 4.920 4.350 0.011 0.000 0.270 772 E C 0.272 176.900 176.600 0.046 0.000 1.021 772 E CA 0.399 56.864 56.400 0.107 0.000 0.887 772 E CB 1.673 31.399 29.700 0.044 0.000 0.997 772 E HN 1.025 nan 8.360 nan 0.000 0.429 773 G N 1.955 110.822 108.800 0.113 0.000 2.576 773 G HA2 0.521 4.487 3.960 0.011 0.000 0.290 773 G HA3 0.521 4.487 3.960 0.011 0.000 0.290 773 G C -1.024 173.941 174.900 0.108 0.000 1.442 773 G CA -0.770 44.229 45.100 -0.168 0.000 0.792 773 G HN 0.421 nan 8.290 nan 0.000 0.491 774 R N -1.457 119.032 120.500 -0.018 0.000 2.846 774 R HA 0.784 5.130 4.340 0.011 0.000 0.263 774 R C -1.956 174.413 176.300 0.115 0.000 1.080 774 R CA -0.751 55.446 56.100 0.162 0.000 0.961 774 R CB 1.393 31.751 30.300 0.097 0.000 1.231 774 R HN 0.583 nan 8.270 nan 0.000 0.465 775 V N 2.879 122.883 119.914 0.151 0.000 2.349 775 V HA 0.304 4.431 4.120 0.011 0.000 0.284 775 V C 0.246 176.377 176.094 0.063 0.000 1.014 775 V CA -0.852 61.513 62.300 0.108 0.000 0.826 775 V CB 1.109 33.019 31.823 0.146 0.000 1.009 775 V HN 0.557 nan 8.190 nan 0.000 0.431 776 L N 4.928 126.172 121.223 0.035 0.000 2.453 776 L HA 0.808 5.155 4.340 0.011 0.000 0.261 776 L C -0.032 176.852 176.870 0.022 0.000 1.179 776 L CA -0.384 54.470 54.840 0.023 0.000 0.813 776 L CB 0.365 42.429 42.059 0.010 0.000 1.110 776 L HN 0.328 nan 8.230 nan 0.000 0.466 777 V N 0.000 119.925 119.914 0.018 0.000 2.409 777 V HA 0.000 4.127 4.120 0.011 0.000 0.244 777 V CA 0.000 62.309 62.300 0.015 0.000 1.235 777 V CB 0.000 31.833 31.823 0.017 0.000 1.184 777 V HN 0.000 nan 8.190 nan 0.000 0.556