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 3nrn_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAVVVGAGLG GLLAGAFLAR NGHEIIVLEK SAXIGGRFTN LPYKGFQLST DATA SEQUENCE GALHXIPHGE DGPLAHLLRI LGAKVEIVNS NPKGKILWEG KIFHYRESWK DATA SEQUENCE FLSXXXXXXX XKLLAEIRXN KLPKEEIPAD EWIKEKIGEN EFLLSVLESF DATA SEQUENCE AGWADSVSLS DLTALELAKE IRAALRWGGP GLIRGGCKAV IDELERIIXE DATA SEQUENCE NKGKILTRKE VVEINIEEKK VYTRDNEEYS FDVAISNVGV RETVKLIGRD DATA SEQUENCE YFDRDYLKQV DSIEPSEGIK FNLAVPGEPR IGNTIVFTPG LXINGFNEPS DATA SEQUENCE ALDKSLAREG YTLIXAHXAL KNGNVKKAIE KGWEELLEIF PEGEPLLAQV DATA SEQUENCE YXXXXXXXXX XXXXHIEWPL NEVLVVGDGY RPPGGIEVDG IALGVXKALE DATA SEQUENCE KLNLGSFSEW YL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.383 176.300 0.138 0.000 0.893 2 R CA 0.000 56.178 56.100 0.130 0.000 0.921 2 R CB 0.000 30.371 30.300 0.118 0.000 0.687 3 A N 3.624 126.506 122.820 0.103 0.000 2.330 3 A HA 0.656 4.963 4.320 -0.021 0.000 0.313 3 A C -0.977 176.618 177.584 0.020 0.000 1.124 3 A CA -0.552 51.519 52.037 0.056 0.000 0.774 3 A CB 1.742 20.746 19.000 0.007 0.000 1.198 3 A HN 0.283 nan 8.150 nan 0.000 0.465 4 V N 3.333 123.227 119.914 -0.034 0.000 2.370 4 V HA 0.373 4.480 4.120 -0.021 0.000 0.283 4 V C -0.194 175.801 176.094 -0.165 0.000 1.023 4 V CA -0.490 61.750 62.300 -0.100 0.000 0.857 4 V CB 1.467 33.229 31.823 -0.101 0.000 0.985 4 V HN 0.632 nan 8.190 nan 0.000 0.443 5 V N 5.900 125.731 119.914 -0.138 0.000 2.370 5 V HA 0.352 4.459 4.120 -0.021 0.000 0.279 5 V C 0.013 176.023 176.094 -0.140 0.000 1.029 5 V CA -0.552 61.668 62.300 -0.133 0.000 0.870 5 V CB 1.798 33.565 31.823 -0.095 0.000 0.984 5 V HN 0.606 nan 8.190 nan 0.000 0.451 6 V N 4.733 124.563 119.914 -0.141 0.000 2.334 6 V HA 0.809 4.916 4.120 -0.021 0.000 0.267 6 V C 0.629 176.666 176.094 -0.095 0.000 1.040 6 V CA 0.391 62.621 62.300 -0.117 0.000 0.866 6 V CB 0.434 32.191 31.823 -0.111 0.000 1.019 6 V HN 1.278 nan 8.190 nan 0.000 0.468 7 G N 4.254 113.005 108.800 -0.080 0.000 3.225 7 G HA2 0.260 4.207 3.960 -0.021 0.000 0.686 7 G HA3 0.260 4.207 3.960 -0.021 0.000 0.686 7 G C -0.205 174.659 174.900 -0.061 0.000 1.105 7 G CA -0.375 44.687 45.100 -0.064 0.000 0.831 7 G HN 1.421 nan 8.290 nan 0.000 0.578 8 A N 1.809 124.602 122.820 -0.045 0.000 3.282 8 A HA 0.772 5.079 4.320 -0.021 0.000 0.287 8 A C 1.281 178.851 177.584 -0.023 0.000 1.366 8 A CA 1.033 53.049 52.037 -0.035 0.000 1.069 8 A CB -0.274 18.711 19.000 -0.026 0.000 1.109 8 A HN 2.089 nan 8.150 nan 0.000 0.638 9 G N -0.952 107.826 108.800 -0.037 0.000 2.537 9 G HA2 0.412 4.359 3.960 -0.021 0.000 0.297 9 G HA3 0.412 4.359 3.960 -0.021 0.000 0.297 9 G C 0.847 175.721 174.900 -0.045 0.000 1.310 9 G CA -0.299 44.782 45.100 -0.031 0.000 1.027 9 G HN 0.420 nan 8.290 nan 0.000 0.505 10 L N 0.623 121.805 121.223 -0.068 0.000 1.990 10 L HA 0.013 4.340 4.340 -0.021 0.000 0.213 10 L C 2.802 179.579 176.870 -0.155 0.000 1.072 10 L CA 3.091 57.844 54.840 -0.146 0.000 0.755 10 L CB -0.985 40.851 42.059 -0.371 0.000 0.889 10 L HN 0.589 nan 8.230 nan 0.000 0.432 11 G N -1.274 107.429 108.800 -0.161 0.000 2.446 11 G HA2 -0.247 3.700 3.960 -0.021 0.000 0.217 11 G HA3 -0.247 3.700 3.960 -0.021 0.000 0.217 11 G C 1.511 176.346 174.900 -0.108 0.000 1.168 11 G CA 0.706 45.719 45.100 -0.145 0.000 0.771 11 G HN 0.637 nan 8.290 nan 0.000 0.551 12 G N 0.799 109.543 108.800 -0.093 0.000 2.421 12 G HA2 -0.144 3.803 3.960 -0.021 0.000 0.216 12 G HA3 -0.144 3.803 3.960 -0.021 0.000 0.216 12 G C 1.823 176.690 174.900 -0.056 0.000 1.171 12 G CA 0.792 45.845 45.100 -0.078 0.000 0.775 12 G HN 0.425 nan 8.290 nan 0.000 0.543 13 L N -0.148 121.046 121.223 -0.048 0.000 2.141 13 L HA 0.044 4.372 4.340 -0.021 0.000 0.209 13 L C 2.873 179.732 176.870 -0.018 0.000 1.094 13 L CA 0.311 55.136 54.840 -0.026 0.000 0.763 13 L CB -0.340 41.712 42.059 -0.012 0.000 0.908 13 L HN 0.183 nan 8.230 nan 0.000 0.437 14 L N -0.399 120.798 121.223 -0.044 0.000 2.027 14 L HA -0.178 4.149 4.340 -0.021 0.000 0.206 14 L C 2.902 179.781 176.870 0.015 0.000 1.074 14 L CA 1.234 56.053 54.840 -0.035 0.000 0.745 14 L CB -0.676 41.320 42.059 -0.104 0.000 0.898 14 L HN 0.228 nan 8.230 nan 0.000 0.433 15 A N 0.194 123.006 122.820 -0.014 0.000 1.902 15 A HA -0.130 4.178 4.320 -0.021 0.000 0.217 15 A C 2.387 180.015 177.584 0.074 0.000 1.181 15 A CA 1.745 53.794 52.037 0.020 0.000 0.623 15 A CB -1.317 17.663 19.000 -0.033 0.000 0.818 15 A HN 0.448 nan 8.150 nan 0.000 0.443 16 G N -0.575 108.243 108.800 0.031 0.000 2.418 16 G HA2 0.005 3.952 3.960 -0.021 0.000 0.217 16 G HA3 0.005 3.952 3.960 -0.021 0.000 0.217 16 G C 1.729 176.666 174.900 0.061 0.000 1.158 16 G CA 1.490 46.610 45.100 0.033 0.000 0.771 16 G HN 0.788 nan 8.290 nan 0.000 0.545 17 A N 0.360 123.218 122.820 0.063 0.000 1.873 17 A HA 0.100 4.407 4.320 -0.021 0.000 0.215 17 A C 2.180 179.819 177.584 0.091 0.000 1.186 17 A CA 1.504 53.577 52.037 0.060 0.000 0.616 17 A CB -0.582 18.446 19.000 0.048 0.000 0.823 17 A HN 0.377 nan 8.150 nan 0.000 0.442 18 F N 0.588 120.545 119.950 0.012 0.000 2.095 18 F HA -0.152 4.363 4.527 -0.019 0.000 0.298 18 F C 1.931 177.774 175.800 0.072 0.000 1.104 18 F CA 1.855 59.879 58.000 0.040 0.000 1.232 18 F CB -0.164 38.870 39.000 0.057 0.000 0.987 18 F HN 0.135 nan 8.300 nan 0.000 0.475 19 L N -0.450 120.929 121.223 0.260 0.000 2.109 19 L HA -0.128 4.200 4.340 -0.021 0.000 0.207 19 L C 2.748 179.736 176.870 0.196 0.000 1.086 19 L CA 0.944 55.922 54.840 0.230 0.000 0.760 19 L CB -1.120 41.017 42.059 0.130 0.000 0.910 19 L HN 0.222 nan 8.230 nan 0.000 0.437 20 A N -0.156 122.720 122.820 0.093 0.000 1.898 20 A HA -0.187 4.120 4.320 -0.021 0.000 0.216 20 A C 2.433 180.009 177.584 -0.013 0.000 1.181 20 A CA 1.215 53.281 52.037 0.049 0.000 0.620 20 A CB -0.461 18.555 19.000 0.027 0.000 0.819 20 A HN 0.243 nan 8.150 nan 0.000 0.442 21 R N -0.290 120.172 120.500 -0.063 0.000 2.105 21 R HA -0.116 4.211 4.340 -0.021 0.000 0.239 21 R C 0.557 176.762 176.300 -0.158 0.000 1.135 21 R CA 1.618 57.642 56.100 -0.126 0.000 0.967 21 R CB -0.371 29.812 30.300 -0.195 0.000 0.861 21 R HN 0.577 nan 8.270 nan 0.000 0.442 22 N N -0.647 117.952 118.700 -0.168 0.000 2.413 22 N HA 0.057 4.784 4.740 -0.021 0.000 0.207 22 N C 0.353 175.708 175.510 -0.259 0.000 1.206 22 N CA 0.651 53.601 53.050 -0.167 0.000 0.832 22 N CB 0.776 39.215 38.487 -0.081 0.000 1.037 22 N HN 0.361 nan 8.380 nan 0.000 0.467 23 G N -0.148 108.533 108.800 -0.197 0.000 2.143 23 G HA2 -0.298 3.649 3.960 -0.021 0.000 0.248 23 G HA3 -0.298 3.649 3.960 -0.021 0.000 0.248 23 G C -0.292 174.432 174.900 -0.293 0.000 0.991 23 G CA 0.050 45.010 45.100 -0.234 0.000 0.689 23 G HN 0.518 nan 8.290 nan 0.000 0.522 24 H N -0.214 118.850 119.070 -0.009 0.000 2.488 24 H HA 0.581 5.124 4.556 -0.021 0.000 0.347 24 H C 0.323 175.658 175.328 0.013 0.000 1.174 24 H CA -0.266 55.789 56.048 0.012 0.000 1.307 24 H CB 1.065 30.845 29.762 0.030 0.000 1.517 24 H HN 0.260 nan 8.280 nan 0.000 0.554 25 E N 2.489 122.778 120.200 0.149 0.000 2.089 25 E HA 0.143 4.480 4.350 -0.021 0.000 0.284 25 E C -0.810 175.844 176.600 0.090 0.000 1.023 25 E CA -0.463 55.991 56.400 0.090 0.000 0.819 25 E CB 0.237 29.983 29.700 0.075 0.000 1.076 25 E HN 0.325 nan 8.360 nan 0.000 0.396 26 I N 6.187 126.795 120.570 0.064 0.000 2.412 26 I HA 0.378 4.535 4.170 -0.021 0.000 0.296 26 I C 0.061 176.184 176.117 0.010 0.000 0.987 26 I CA -0.833 60.490 61.300 0.039 0.000 1.180 26 I CB 1.402 39.422 38.000 0.034 0.000 1.340 26 I HN 0.577 nan 8.210 nan 0.000 0.455 27 I N 6.315 126.873 120.570 -0.020 0.000 2.468 27 I HA 0.296 4.454 4.170 -0.021 0.000 0.284 27 I C -0.507 175.538 176.117 -0.120 0.000 1.038 27 I CA -0.702 60.556 61.300 -0.070 0.000 1.083 27 I CB 2.132 40.077 38.000 -0.092 0.000 1.223 27 I HN 0.103 nan 8.210 nan 0.000 0.443 28 V N 7.213 127.064 119.914 -0.106 0.000 2.439 28 V HA 0.399 4.506 4.120 -0.021 0.000 0.282 28 V C 0.090 176.097 176.094 -0.146 0.000 1.039 28 V CA -0.428 61.806 62.300 -0.110 0.000 0.913 28 V CB 1.620 33.402 31.823 -0.068 0.000 0.983 28 V HN 0.467 nan 8.190 nan 0.000 0.460 29 L N 4.325 125.451 121.223 -0.161 0.000 2.298 29 L HA 0.618 4.945 4.340 -0.021 0.000 0.284 29 L C -0.353 176.461 176.870 -0.094 0.000 1.013 29 L CA -0.435 54.307 54.840 -0.163 0.000 0.824 29 L CB 1.701 43.629 42.059 -0.219 0.000 1.221 29 L HN 0.621 nan 8.230 nan 0.000 0.418 30 E N 3.077 123.239 120.200 -0.065 0.000 2.176 30 E HA 0.189 4.526 4.350 -0.021 0.000 0.267 30 E C 0.338 176.925 176.600 -0.022 0.000 0.893 30 E CA -0.529 55.847 56.400 -0.039 0.000 0.761 30 E CB 1.840 31.522 29.700 -0.030 0.000 1.133 30 E HN 0.434 nan 8.360 nan 0.000 0.409 31 K N 2.746 123.137 120.400 -0.015 0.000 2.025 31 K HA -0.050 4.257 4.320 -0.021 0.000 0.207 31 K C 0.768 177.370 176.600 0.003 0.000 1.049 31 K CA 1.167 57.453 56.287 -0.002 0.000 0.933 31 K CB -0.130 32.370 32.500 -0.000 0.000 0.714 31 K HN 0.597 nan 8.250 nan 0.000 0.438 32 S N -0.193 115.507 115.700 0.001 0.000 2.640 32 S HA 0.480 4.937 4.470 -0.021 0.000 0.262 32 S C 0.277 174.880 174.600 0.005 0.000 1.232 32 S CA -0.586 57.617 58.200 0.005 0.000 0.988 32 S CB 1.128 64.331 63.200 0.005 0.000 1.034 32 S HN 0.323 nan 8.310 nan 0.000 0.569 36 G N 0.868 109.683 108.800 0.025 0.000 2.278 36 G HA2 0.219 4.167 3.960 -0.021 0.000 0.210 36 G HA3 0.219 4.167 3.960 -0.021 0.000 0.210 36 G C 1.252 176.185 174.900 0.055 0.000 1.000 36 G CA 0.595 45.727 45.100 0.052 0.000 0.635 36 G HN 2.646 nan 8.290 nan 0.000 0.495 37 G N 0.737 109.552 108.800 0.024 0.000 2.660 37 G HA2 -0.383 3.564 3.960 -0.021 0.000 0.321 37 G HA3 -0.383 3.564 3.960 -0.021 0.000 0.321 37 G C 0.771 175.677 174.900 0.011 0.000 1.246 37 G CA 1.210 46.317 45.100 0.012 0.000 1.000 37 G HN 1.199 nan 8.290 nan 0.000 0.550 38 R N -0.297 120.201 120.500 -0.003 0.000 2.449 38 R HA 0.327 4.654 4.340 -0.021 0.000 0.262 38 R C 0.177 176.491 176.300 0.023 0.000 1.006 38 R CA 0.129 56.197 56.100 -0.055 0.000 1.104 38 R CB 0.011 30.222 30.300 -0.148 0.000 1.206 38 R HN 0.277 nan 8.270 nan 0.000 0.538 39 F N 0.511 120.400 119.950 -0.102 0.000 2.576 39 F HA 0.278 4.792 4.527 -0.020 0.000 0.365 39 F C -0.419 175.364 175.800 -0.028 0.000 1.506 39 F CA -0.306 57.647 58.000 -0.079 0.000 1.113 39 F CB 0.917 39.869 39.000 -0.080 0.000 1.293 39 F HN -0.233 nan 8.300 nan 0.000 0.540 40 T N 0.085 114.564 114.554 -0.126 0.000 2.647 40 T HA 0.427 4.764 4.350 -0.021 0.000 0.295 40 T C -1.041 173.628 174.700 -0.051 0.000 1.126 40 T CA -0.560 61.480 62.100 -0.099 0.000 1.040 40 T CB 1.094 69.953 68.868 -0.015 0.000 1.472 40 T HN 0.035 nan 8.240 nan 0.000 0.500 41 N N 1.047 119.747 118.700 -0.001 0.000 2.508 41 N HA 0.584 5.311 4.740 -0.021 0.000 0.285 41 N C -1.140 174.406 175.510 0.060 0.000 1.144 41 N CA -0.440 52.648 53.050 0.064 0.000 0.978 41 N CB 1.161 39.672 38.487 0.041 0.000 1.180 41 N HN 0.433 nan 8.380 nan 0.000 0.484 42 L N 2.628 123.906 121.223 0.091 0.000 2.417 42 L HA 0.517 4.844 4.340 -0.021 0.000 0.259 42 L C -2.646 174.306 176.870 0.136 0.000 1.023 42 L CA -1.804 53.087 54.840 0.085 0.000 0.901 42 L CB 1.350 43.438 42.059 0.050 0.000 1.227 42 L HN 0.369 nan 8.230 nan 0.000 0.454 43 P HA 0.102 nan 4.420 nan 0.000 0.264 43 P C -1.865 175.582 177.300 0.246 0.000 1.193 43 P CA 0.575 63.764 63.100 0.149 0.000 0.763 43 P CB 0.125 31.879 31.700 0.091 0.000 0.810 44 Y N 2.675 123.029 120.300 0.091 0.000 2.287 44 Y HA 0.174 4.711 4.550 -0.021 0.000 0.321 44 Y C -0.105 175.876 175.900 0.135 0.000 1.173 44 Y CA -0.816 57.336 58.100 0.086 0.000 1.124 44 Y CB 1.086 39.584 38.460 0.065 0.000 1.201 44 Y HN 0.331 nan 8.280 nan 0.000 0.421 45 K N 4.496 124.727 120.400 -0.283 0.000 3.156 45 K HA -0.229 4.078 4.320 -0.021 0.000 0.266 45 K C 0.939 177.561 176.600 0.036 0.000 0.966 45 K CA 1.231 57.396 56.287 -0.204 0.000 0.719 45 K CB -1.491 30.780 32.500 -0.381 0.000 1.333 45 K HN 1.469 nan 8.250 nan 0.000 0.468 46 G N -1.045 107.761 108.800 0.009 0.000 2.159 46 G HA2 -0.323 3.624 3.960 -0.021 0.000 0.256 46 G HA3 -0.323 3.624 3.960 -0.021 0.000 0.256 46 G C -0.049 174.748 174.900 -0.171 0.000 0.977 46 G CA 0.435 45.489 45.100 -0.077 0.000 0.652 46 G HN 0.316 nan 8.290 nan 0.000 0.531 47 F N -0.046 119.918 119.950 0.024 0.000 2.538 47 F HA 0.627 5.141 4.527 -0.021 0.000 0.325 47 F C 0.417 176.272 175.800 0.092 0.000 1.066 47 F CA -0.905 57.132 58.000 0.062 0.000 0.946 47 F CB 1.790 40.840 39.000 0.083 0.000 1.199 47 F HN -0.164 nan 8.300 nan 0.000 0.473 48 Q N 3.964 123.931 119.800 0.279 0.000 2.509 48 Q HA 0.387 4.715 4.340 -0.021 0.000 0.230 48 Q C -0.428 175.768 176.000 0.326 0.000 1.089 48 Q CA -0.147 55.780 55.803 0.206 0.000 0.901 48 Q CB 0.961 29.738 28.738 0.064 0.000 1.208 48 Q HN 0.602 nan 8.270 nan 0.000 0.529 49 L N 0.417 121.805 121.223 0.275 0.000 2.642 49 L HA 0.493 4.820 4.340 -0.021 0.000 0.229 49 L C 0.852 177.803 176.870 0.134 0.000 1.179 49 L CA -0.529 54.424 54.840 0.189 0.000 0.834 49 L CB 0.547 42.648 42.059 0.070 0.000 1.515 49 L HN 0.442 nan 8.230 nan 0.000 0.512 50 S N -2.701 112.956 115.700 -0.072 0.000 2.632 50 S HA 0.335 4.792 4.470 -0.021 0.000 0.289 50 S C 0.096 174.660 174.600 -0.060 0.000 1.115 50 S CA -0.114 58.012 58.200 -0.124 0.000 0.889 50 S CB 1.644 64.568 63.200 -0.460 0.000 1.116 50 S HN 0.672 nan 8.310 nan 0.000 0.486 51 T N -1.995 112.521 114.554 -0.064 0.000 3.188 51 T HA 0.573 4.910 4.350 -0.021 0.000 0.250 51 T C 0.991 175.531 174.700 -0.265 0.000 1.077 51 T CA 0.487 62.575 62.100 -0.019 0.000 0.967 51 T CB -0.487 68.378 68.868 -0.005 0.000 1.006 51 T HN 1.315 nan 8.240 nan 0.000 0.552 52 G N 1.075 109.667 108.800 -0.347 0.000 2.693 52 G HA2 0.462 4.409 3.960 -0.021 0.000 0.119 52 G HA3 0.462 4.409 3.960 -0.021 0.000 0.119 52 G C -0.203 174.512 174.900 -0.308 0.000 1.063 52 G CA -0.187 44.586 45.100 -0.544 0.000 1.405 52 G HN 0.626 nan 8.290 nan 0.000 0.626 53 A N 0.428 123.152 122.820 -0.160 0.000 2.555 53 A HA 0.465 4.772 4.320 -0.021 0.000 0.233 53 A C 0.846 178.317 177.584 -0.188 0.000 1.060 53 A CA 0.215 52.200 52.037 -0.087 0.000 0.759 53 A CB -0.229 18.873 19.000 0.171 0.000 0.995 53 A HN 0.794 nan 8.150 nan 0.000 0.506 54 L N 3.238 124.391 121.223 -0.117 0.000 2.919 54 L HA 0.157 4.484 4.340 -0.021 0.000 0.242 54 L C 0.336 177.155 176.870 -0.084 0.000 1.366 54 L CA -0.109 54.646 54.840 -0.141 0.000 1.212 54 L CB -1.970 40.106 42.059 0.028 0.000 1.604 54 L HN 0.984 nan 8.230 nan 0.000 0.433 58 P HA -0.171 nan 4.420 nan 0.000 0.217 58 P C 0.658 177.803 177.300 -0.259 0.000 1.151 58 P CA 1.654 64.673 63.100 -0.135 0.000 0.849 58 P CB 0.048 31.580 31.700 -0.279 0.000 0.787 59 H N -2.283 116.867 119.070 0.134 0.000 2.512 59 H HA 0.316 4.859 4.556 -0.021 0.000 0.276 59 H C 1.567 176.968 175.328 0.122 0.000 1.126 59 H CA 0.454 56.601 56.048 0.165 0.000 1.060 59 H CB -0.065 29.827 29.762 0.217 0.000 1.646 59 H HN 0.074 nan 8.280 nan 0.000 0.571 60 G N 2.326 111.219 108.800 0.154 0.000 2.651 60 G HA2 -0.415 3.532 3.960 -0.021 0.000 0.315 60 G HA3 -0.415 3.532 3.960 -0.021 0.000 0.315 60 G C 1.046 176.015 174.900 0.114 0.000 1.258 60 G CA 0.842 46.019 45.100 0.129 0.000 1.002 60 G HN 0.510 nan 8.290 nan 0.000 0.551 61 E N 1.177 121.451 120.200 0.123 0.000 2.482 61 E HA 0.103 4.440 4.350 -0.021 0.000 0.196 61 E C 1.151 177.831 176.600 0.134 0.000 1.047 61 E CA 0.879 57.347 56.400 0.113 0.000 0.869 61 E CB 0.093 29.863 29.700 0.117 0.000 0.836 61 E HN 0.556 nan 8.360 nan 0.000 0.520 62 D N 0.681 121.179 120.400 0.163 0.000 2.389 62 D HA 0.045 4.672 4.640 -0.021 0.000 0.206 62 D C 1.038 177.329 176.300 -0.015 0.000 1.055 62 D CA 0.248 54.369 54.000 0.201 0.000 0.856 62 D CB 0.426 41.419 40.800 0.322 0.000 0.957 62 D HN 0.115 nan 8.370 nan 0.000 0.509 63 G N 1.524 110.221 108.800 -0.171 0.000 2.525 63 G HA2 0.253 4.200 3.960 -0.021 0.000 0.287 63 G HA3 0.253 4.200 3.960 -0.021 0.000 0.287 63 G C -1.765 172.761 174.900 -0.623 0.000 1.350 63 G CA -0.808 43.850 45.100 -0.736 0.000 1.039 63 G HN -0.183 nan 8.290 nan 0.000 0.513 64 P HA -0.096 nan 4.420 nan 0.000 0.215 64 P C 2.088 179.178 177.300 -0.350 0.000 1.153 64 P CA 0.407 63.199 63.100 -0.515 0.000 0.853 64 P CB 0.125 31.525 31.700 -0.500 0.000 0.788 65 L N -0.174 120.875 121.223 -0.289 0.000 2.017 65 L HA -0.087 4.240 4.340 -0.021 0.000 0.208 65 L C 2.254 179.031 176.870 -0.154 0.000 1.073 65 L CA 2.155 56.865 54.840 -0.217 0.000 0.745 65 L CB -1.641 40.305 42.059 -0.189 0.000 0.894 65 L HN -0.114 nan 8.230 nan 0.000 0.432 66 A N -1.410 121.344 122.820 -0.109 0.000 1.902 66 A HA -0.313 3.994 4.320 -0.021 0.000 0.217 66 A C 2.307 179.853 177.584 -0.062 0.000 1.181 66 A CA 1.851 53.860 52.037 -0.047 0.000 0.623 66 A CB -1.104 17.901 19.000 0.009 0.000 0.818 66 A HN 0.731 nan 8.150 nan 0.000 0.443 67 H N -0.174 118.761 119.070 -0.225 0.000 2.319 67 H HA -0.032 4.512 4.556 -0.020 0.000 0.299 67 H C 1.773 176.965 175.328 -0.226 0.000 1.092 67 H CA 1.955 57.818 56.048 -0.309 0.000 1.302 67 H CB -0.300 28.971 29.762 -0.818 0.000 1.373 67 H HN 0.349 nan 8.280 nan 0.000 0.497 68 L N -0.346 120.685 121.223 -0.321 0.000 2.046 68 L HA -0.181 4.146 4.340 -0.021 0.000 0.208 68 L C 2.464 179.242 176.870 -0.154 0.000 1.077 68 L CA 1.185 55.872 54.840 -0.255 0.000 0.747 68 L CB -0.353 41.571 42.059 -0.225 0.000 0.896 68 L HN 0.347 nan 8.230 nan 0.000 0.432 69 L N -0.817 120.332 121.223 -0.124 0.000 2.046 69 L HA -0.238 4.089 4.340 -0.021 0.000 0.208 69 L C 2.769 179.600 176.870 -0.065 0.000 1.077 69 L CA 1.163 55.963 54.840 -0.066 0.000 0.747 69 L CB -0.548 41.488 42.059 -0.037 0.000 0.896 69 L HN 0.266 nan 8.230 nan 0.000 0.432 70 R N 1.280 121.723 120.500 -0.095 0.000 2.070 70 R HA -0.180 4.147 4.340 -0.021 0.000 0.233 70 R C 2.403 178.649 176.300 -0.090 0.000 1.137 70 R CA 1.972 58.029 56.100 -0.073 0.000 0.945 70 R CB -0.380 29.890 30.300 -0.050 0.000 0.845 70 R HN 0.507 nan 8.270 nan 0.000 0.430 71 I N -1.501 118.966 120.570 -0.172 0.000 2.756 71 I HA -0.127 4.030 4.170 -0.021 0.000 0.262 71 I C 1.506 177.599 176.117 -0.040 0.000 1.225 71 I CA 1.165 62.401 61.300 -0.106 0.000 1.472 71 I CB -0.176 37.745 38.000 -0.132 0.000 1.094 71 I HN 0.143 nan 8.210 nan 0.000 0.454 72 L N 1.631 122.839 121.223 -0.025 0.000 2.418 72 L HA 0.224 4.551 4.340 -0.021 0.000 0.218 72 L C 1.719 178.575 176.870 -0.025 0.000 1.125 72 L CA 0.877 55.711 54.840 -0.009 0.000 0.835 72 L CB -0.450 41.621 42.059 0.019 0.000 0.953 72 L HN 0.664 nan 8.230 nan 0.000 0.454 73 G N 0.026 108.811 108.800 -0.025 0.000 2.131 73 G HA2 -0.230 3.717 3.960 -0.021 0.000 0.223 73 G HA3 -0.230 3.717 3.960 -0.021 0.000 0.223 73 G C 0.321 175.215 174.900 -0.010 0.000 0.990 73 G CA -0.051 45.038 45.100 -0.019 0.000 0.671 73 G HN 0.467 nan 8.290 nan 0.000 0.521 74 A N 0.085 122.899 122.820 -0.009 0.000 2.440 74 A HA 0.617 4.925 4.320 -0.021 0.000 0.251 74 A C 0.517 178.103 177.584 0.004 0.000 1.089 74 A CA 0.131 52.168 52.037 -0.000 0.000 0.779 74 A CB 0.448 19.450 19.000 0.002 0.000 1.022 74 A HN 0.169 nan 8.150 nan 0.000 0.492 75 K N 2.506 122.910 120.400 0.007 0.000 2.357 75 K HA 0.459 4.767 4.320 -0.021 0.000 0.251 75 K C -1.248 175.360 176.600 0.014 0.000 1.069 75 K CA -0.146 56.147 56.287 0.010 0.000 0.994 75 K CB 0.891 33.396 32.500 0.008 0.000 1.411 75 K HN 0.358 nan 8.250 nan 0.000 0.450 76 V N 1.537 121.463 119.914 0.019 0.000 2.638 76 V HA 0.223 4.330 4.120 -0.021 0.000 0.306 76 V C -0.131 175.980 176.094 0.029 0.000 1.052 76 V CA -1.017 61.298 62.300 0.025 0.000 0.885 76 V CB 2.248 34.093 31.823 0.036 0.000 0.999 76 V HN 0.581 nan 8.190 nan 0.000 0.424 77 E N 4.982 125.197 120.200 0.026 0.000 2.089 77 E HA 0.516 4.853 4.350 -0.021 0.000 0.284 77 E C -1.158 175.466 176.600 0.039 0.000 1.023 77 E CA -0.294 56.125 56.400 0.030 0.000 0.819 77 E CB 0.677 30.391 29.700 0.023 0.000 1.076 77 E HN 0.633 nan 8.360 nan 0.000 0.396 78 I N 4.928 125.528 120.570 0.050 0.000 2.389 78 I HA 0.281 4.438 4.170 -0.021 0.000 0.288 78 I C -0.890 175.267 176.117 0.066 0.000 0.999 78 I CA -1.085 60.252 61.300 0.061 0.000 1.129 78 I CB 1.900 39.942 38.000 0.069 0.000 1.288 78 I HN 0.288 nan 8.210 nan 0.000 0.444 79 V N 5.776 125.731 119.914 0.067 0.000 2.407 79 V HA 0.310 4.417 4.120 -0.021 0.000 0.291 79 V C 0.066 176.206 176.094 0.078 0.000 1.018 79 V CA -0.942 61.400 62.300 0.070 0.000 0.842 79 V CB 1.498 33.357 31.823 0.060 0.000 0.996 79 V HN 0.631 nan 8.190 nan 0.000 0.426 80 N N 2.290 121.044 118.700 0.089 0.000 2.407 80 N HA 0.057 4.784 4.740 -0.021 0.000 0.250 80 N C 0.387 175.946 175.510 0.082 0.000 1.236 80 N CA 0.244 53.351 53.050 0.096 0.000 0.879 80 N CB 0.584 39.139 38.487 0.114 0.000 1.088 80 N HN 0.693 nan 8.380 nan 0.000 0.450 81 S N 1.981 117.724 115.700 0.073 0.000 2.537 81 S HA 0.007 4.465 4.470 -0.021 0.000 0.286 81 S C 1.232 175.871 174.600 0.064 0.000 1.299 81 S CA -0.546 57.685 58.200 0.053 0.000 1.067 81 S CB 0.270 63.482 63.200 0.019 0.000 0.864 81 S HN 0.447 nan 8.310 nan 0.000 0.494 82 N N 4.082 122.819 118.700 0.062 0.000 2.036 82 N HA -0.104 4.624 4.740 -0.021 0.000 0.192 82 N C -1.947 173.617 175.510 0.090 0.000 1.055 82 N CA 1.155 54.251 53.050 0.077 0.000 0.897 82 N CB -1.293 37.235 38.487 0.069 0.000 1.071 82 N HN 0.469 nan 8.380 nan 0.000 0.553 83 P HA 0.110 nan 4.420 nan 0.000 0.279 83 P C -0.375 176.961 177.300 0.060 0.000 1.239 83 P CA 0.049 63.189 63.100 0.066 0.000 0.789 83 P CB 1.107 32.738 31.700 -0.116 0.000 0.933 84 K N 0.931 121.414 120.400 0.139 0.000 2.127 84 K HA -0.049 4.258 4.320 -0.021 0.000 0.208 84 K C 1.248 177.807 176.600 -0.068 0.000 1.047 84 K CA 1.804 58.107 56.287 0.026 0.000 0.927 84 K CB -0.288 32.177 32.500 -0.057 0.000 0.716 84 K HN 0.779 nan 8.250 nan 0.000 0.450 85 G N -0.707 108.068 108.800 -0.043 0.000 2.523 85 G HA2 0.428 4.375 3.960 -0.021 0.000 0.291 85 G HA3 0.428 4.375 3.960 -0.021 0.000 0.291 85 G C -1.708 173.187 174.900 -0.008 0.000 1.450 85 G CA -0.834 44.220 45.100 -0.076 0.000 0.790 85 G HN -0.072 nan 8.290 nan 0.000 0.496 86 K N -0.802 119.546 120.400 -0.087 0.000 2.439 86 K HA 0.749 5.057 4.320 -0.021 0.000 0.260 86 K C -1.100 175.412 176.600 -0.148 0.000 1.032 86 K CA -0.885 55.334 56.287 -0.113 0.000 0.882 86 K CB 2.789 35.195 32.500 -0.157 0.000 1.420 86 K HN 0.387 nan 8.250 nan 0.000 0.455 87 I N 1.723 122.077 120.570 -0.360 0.000 2.647 87 I HA 0.269 4.426 4.170 -0.021 0.000 0.295 87 I C -1.407 174.379 176.117 -0.552 0.000 1.078 87 I CA -1.145 59.898 61.300 -0.428 0.000 1.048 87 I CB 2.017 39.756 38.000 -0.435 0.000 1.239 87 I HN 0.298 nan 8.210 nan 0.000 0.421 88 L N 6.692 127.797 121.223 -0.197 0.000 2.276 88 L HA 0.511 4.838 4.340 -0.021 0.000 0.286 88 L C -1.521 175.474 176.870 0.208 0.000 1.024 88 L CA 0.002 54.826 54.840 -0.025 0.000 0.826 88 L CB 0.804 42.887 42.059 0.040 0.000 1.211 88 L HN 0.654 nan 8.230 nan 0.000 0.422 89 W N 6.456 127.793 121.300 0.061 0.000 3.259 89 W HA 0.294 4.943 4.660 -0.019 0.000 0.331 89 W C -0.521 176.129 176.519 0.219 0.000 1.144 89 W CA -0.609 56.847 57.345 0.184 0.000 1.227 89 W CB 1.586 31.244 29.460 0.329 0.000 1.371 89 W HN 0.728 nan 8.180 nan 0.000 0.491 90 E N 3.129 123.057 120.200 -0.454 0.000 2.269 90 E HA -0.223 4.114 4.350 -0.021 0.000 0.223 90 E C 0.953 177.517 176.600 -0.061 0.000 1.244 90 E CA 1.202 57.400 56.400 -0.336 0.000 0.713 90 E CB -1.359 28.159 29.700 -0.304 0.000 1.178 90 E HN 0.988 nan 8.360 nan 0.000 0.370 91 G N 0.432 109.213 108.800 -0.030 0.000 2.162 91 G HA2 -0.381 3.566 3.960 -0.021 0.000 0.260 91 G HA3 -0.381 3.566 3.960 -0.021 0.000 0.260 91 G C 0.058 175.004 174.900 0.077 0.000 0.976 91 G CA 0.910 46.017 45.100 0.012 0.000 0.655 91 G HN 0.508 nan 8.290 nan 0.000 0.533 92 K N -0.498 120.003 120.400 0.168 0.000 2.427 92 K HA 0.783 5.091 4.320 -0.021 0.000 0.252 92 K C -0.551 176.196 176.600 0.246 0.000 0.931 92 K CA -1.355 55.073 56.287 0.234 0.000 0.793 92 K CB 2.135 34.827 32.500 0.321 0.000 1.211 92 K HN 0.084 nan 8.250 nan 0.000 0.426 93 I N 4.801 125.460 120.570 0.148 0.000 2.307 93 I HA 0.341 4.498 4.170 -0.021 0.000 0.289 93 I C -0.776 175.399 176.117 0.097 0.000 1.021 93 I CA -0.792 60.514 61.300 0.011 0.000 1.224 93 I CB 0.131 38.144 38.000 0.021 0.000 1.376 93 I HN 0.633 nan 8.210 nan 0.000 0.470 94 F N 4.134 124.154 119.950 0.116 0.000 2.654 94 F HA 0.521 5.035 4.527 -0.022 0.000 0.334 94 F C 0.170 176.034 175.800 0.106 0.000 1.078 94 F CA -1.281 56.784 58.000 0.110 0.000 0.986 94 F CB 0.483 39.556 39.000 0.122 0.000 1.362 94 F HN 0.262 nan 8.300 nan 0.000 0.498 95 H N 1.543 120.771 119.070 0.264 0.000 2.928 95 H HA -0.004 4.538 4.556 -0.022 0.000 0.338 95 H C 0.780 176.174 175.328 0.109 0.000 1.047 95 H CA 0.517 56.615 56.048 0.083 0.000 1.435 95 H CB 0.840 30.566 29.762 -0.060 0.000 1.428 95 H HN 0.914 nan 8.280 nan 0.000 0.590 96 Y N 4.212 124.516 120.300 0.006 0.000 2.241 96 Y HA -0.179 4.358 4.550 -0.021 0.000 0.286 96 Y C 2.185 178.088 175.900 0.005 0.000 1.166 96 Y CA 1.191 59.318 58.100 0.045 0.000 1.203 96 Y CB -0.380 38.029 38.460 -0.086 0.000 0.977 96 Y HN 0.462 nan 8.280 nan 0.000 0.529 97 R N 0.581 120.777 120.500 -0.506 0.000 2.120 97 R HA -0.131 4.196 4.340 -0.021 0.000 0.234 97 R C 1.871 177.565 176.300 -1.012 0.000 1.123 97 R CA 1.362 56.786 56.100 -1.125 0.000 0.975 97 R CB -0.240 29.384 30.300 -1.128 0.000 0.866 97 R HN 0.452 nan 8.270 nan 0.000 0.446 98 E N 0.446 120.425 120.200 -0.369 0.000 2.267 98 E HA -0.121 4.216 4.350 -0.021 0.000 0.197 98 E C 1.809 178.292 176.600 -0.195 0.000 0.998 98 E CA 0.820 57.056 56.400 -0.273 0.000 0.830 98 E CB -0.167 29.400 29.700 -0.222 0.000 0.751 98 E HN 0.198 nan 8.360 nan 0.000 0.491 99 S N 0.662 116.355 115.700 -0.012 0.000 2.392 99 S HA -0.172 4.286 4.470 -0.021 0.000 0.232 99 S C 1.444 176.186 174.600 0.236 0.000 1.041 99 S CA 1.051 59.413 58.200 0.269 0.000 1.026 99 S CB -0.361 63.059 63.200 0.367 0.000 0.845 99 S HN 0.429 nan 8.310 nan 0.000 0.465 100 W N 1.982 123.360 121.300 0.130 0.000 2.364 100 W HA -0.036 4.610 4.660 -0.023 0.000 0.281 100 W C 1.798 178.284 176.519 -0.054 0.000 1.219 100 W CA 0.514 57.886 57.345 0.045 0.000 1.220 100 W CB -0.938 28.526 29.460 0.007 0.000 1.127 100 W HN 0.411 nan 8.180 nan 0.000 0.556 101 K N -0.501 119.901 120.400 0.003 0.000 2.442 101 K HA -0.127 4.180 4.320 -0.021 0.000 0.198 101 K C 1.260 177.599 176.600 -0.434 0.000 1.044 101 K CA 0.901 57.029 56.287 -0.267 0.000 0.948 101 K CB -0.580 31.628 32.500 -0.487 0.000 0.762 101 K HN 0.087 nan 8.250 nan 0.000 0.472 102 F N 0.664 120.492 119.950 -0.204 0.000 2.727 102 F HA 0.189 4.703 4.527 -0.022 0.000 0.302 102 F C 0.607 176.371 175.800 -0.061 0.000 1.097 102 F CA -0.041 57.810 58.000 -0.248 0.000 1.330 102 F CB 0.220 38.815 39.000 -0.675 0.000 1.084 102 F HN -0.177 nan 8.300 nan 0.000 0.578 103 L N -1.113 120.185 121.223 0.124 0.000 2.322 103 L HA 0.713 5.040 4.340 -0.021 0.000 0.269 103 L C 0.608 177.503 176.870 0.043 0.000 1.012 103 L CA -0.807 54.099 54.840 0.110 0.000 0.815 103 L CB 1.172 43.318 42.059 0.144 0.000 1.295 103 L HN -0.027 nan 8.230 nan 0.000 0.438 114 L N 0.538 121.706 121.223 -0.091 0.000 2.567 114 L HA 0.420 4.747 4.340 -0.021 0.000 0.225 114 L C 2.061 178.914 176.870 -0.027 0.000 1.119 114 L CA 0.382 55.176 54.840 -0.075 0.000 0.871 114 L CB -0.253 41.712 42.059 -0.156 0.000 1.036 114 L HN 0.538 nan 8.230 nan 0.000 0.459 115 L N 0.960 122.165 121.223 -0.030 0.000 2.141 115 L HA -0.082 4.245 4.340 -0.021 0.000 0.209 115 L C 3.052 179.918 176.870 -0.007 0.000 1.094 115 L CA 1.084 55.919 54.840 -0.008 0.000 0.763 115 L CB -0.697 41.362 42.059 0.001 0.000 0.908 115 L HN 0.452 nan 8.230 nan 0.000 0.437 116 A N 0.108 122.917 122.820 -0.018 0.000 1.930 116 A HA -0.194 4.113 4.320 -0.021 0.000 0.217 116 A C 2.159 179.739 177.584 -0.006 0.000 1.175 116 A CA 1.496 53.524 52.037 -0.015 0.000 0.627 116 A CB -0.300 18.684 19.000 -0.027 0.000 0.815 116 A HN 0.412 nan 8.150 nan 0.000 0.443 117 E N -0.202 119.998 120.200 -0.000 0.000 2.072 117 E HA -0.072 4.265 4.350 -0.021 0.000 0.191 117 E C 1.760 178.374 176.600 0.024 0.000 0.985 117 E CA 1.116 57.525 56.400 0.015 0.000 0.801 117 E CB -0.229 29.488 29.700 0.029 0.000 0.750 117 E HN 0.680 nan 8.360 nan 0.000 0.452 118 I N 0.795 121.384 120.570 0.031 0.000 2.493 118 I HA -0.154 4.003 4.170 -0.021 0.000 0.254 118 I C 1.679 177.785 176.117 -0.018 0.000 1.160 118 I CA 0.255 61.567 61.300 0.020 0.000 1.445 118 I CB -0.061 37.958 38.000 0.031 0.000 1.086 118 I HN -0.002 nan 8.210 nan 0.000 0.433 122 K N 1.808 122.209 120.400 0.001 0.000 2.351 122 K HA 0.217 4.524 4.320 -0.021 0.000 0.287 122 K C -0.488 176.128 176.600 0.027 0.000 1.068 122 K CA 0.176 56.471 56.287 0.014 0.000 0.998 122 K CB 0.544 33.058 32.500 0.024 0.000 0.968 122 K HN 0.243 nan 8.250 nan 0.000 0.464 123 L N 4.799 126.026 121.223 0.006 0.000 2.358 123 L HA 0.449 4.776 4.340 -0.021 0.000 0.268 123 L C -1.724 175.136 176.870 -0.016 0.000 1.032 123 L CA -2.367 52.464 54.840 -0.015 0.000 0.805 123 L CB 0.918 42.938 42.059 -0.064 0.000 1.253 123 L HN 0.495 nan 8.230 nan 0.000 0.452 124 P HA 0.050 nan 4.420 nan 0.000 0.271 124 P C -0.391 176.855 177.300 -0.089 0.000 1.233 124 P CA -0.306 62.745 63.100 -0.081 0.000 0.764 124 P CB 1.271 32.733 31.700 -0.397 0.000 0.825 125 K N 2.488 122.877 120.400 -0.019 0.000 2.432 125 K HA -0.018 4.289 4.320 -0.021 0.000 0.196 125 K C 0.691 177.276 176.600 -0.026 0.000 1.038 125 K CA 0.564 56.839 56.287 -0.020 0.000 0.986 125 K CB 0.049 32.552 32.500 0.005 0.000 0.782 125 K HN 0.403 nan 8.250 nan 0.000 0.485 126 E N 2.209 122.397 120.200 -0.020 0.000 2.413 126 E HA -0.066 4.271 4.350 -0.021 0.000 0.263 126 E C -0.278 176.285 176.600 -0.063 0.000 1.015 126 E CA 0.338 56.731 56.400 -0.011 0.000 0.916 126 E CB 0.695 30.425 29.700 0.049 0.000 0.947 126 E HN 0.359 nan 8.360 nan 0.000 0.440 127 E N 3.131 123.310 120.200 -0.035 0.000 3.406 127 E HA 0.272 4.609 4.350 -0.021 0.000 0.210 127 E C 0.075 176.658 176.600 -0.028 0.000 1.167 127 E CA -0.296 56.076 56.400 -0.047 0.000 1.132 127 E CB -0.506 29.176 29.700 -0.029 0.000 1.309 127 E HN 0.436 nan 8.360 nan 0.000 0.424 128 I N -3.152 117.398 120.570 -0.034 0.000 3.042 128 I HA 0.679 4.836 4.170 -0.021 0.000 0.310 128 I C -2.858 173.253 176.117 -0.010 0.000 1.117 128 I CA -3.294 58.007 61.300 0.002 0.000 1.003 128 I CB 1.957 39.988 38.000 0.051 0.000 1.228 128 I HN -0.242 nan 8.210 nan 0.000 0.443 129 P HA 0.071 nan 4.420 nan 0.000 0.268 129 P C 0.339 177.677 177.300 0.063 0.000 1.208 129 P CA 0.167 63.282 63.100 0.025 0.000 0.777 129 P CB 0.833 32.557 31.700 0.040 0.000 0.875 130 A N 3.051 125.904 122.820 0.055 0.000 1.933 130 A HA -0.204 4.104 4.320 -0.021 0.000 0.218 130 A C 1.770 179.533 177.584 0.299 0.000 1.175 130 A CA 1.970 54.101 52.037 0.156 0.000 0.628 130 A CB -1.236 17.828 19.000 0.106 0.000 0.814 130 A HN 0.691 nan 8.150 nan 0.000 0.444 131 D N -0.316 120.182 120.400 0.163 0.000 2.178 131 D HA -0.208 4.419 4.640 -0.021 0.000 0.202 131 D C 1.655 178.028 176.300 0.121 0.000 0.974 131 D CA 1.460 55.533 54.000 0.122 0.000 0.841 131 D CB -0.534 40.310 40.800 0.073 0.000 0.953 131 D HN 0.665 nan 8.370 nan 0.000 0.478 132 E N 0.001 120.285 120.200 0.140 0.000 2.072 132 E HA -0.114 4.223 4.350 -0.021 0.000 0.190 132 E C 2.034 178.738 176.600 0.173 0.000 0.982 132 E CA 0.908 57.383 56.400 0.124 0.000 0.803 132 E CB -0.320 29.445 29.700 0.108 0.000 0.755 132 E HN 0.503 nan 8.360 nan 0.000 0.453 133 W N 1.257 122.556 121.300 -0.002 0.000 2.402 133 W HA -0.127 4.532 4.660 -0.000 0.000 0.286 133 W C 1.286 177.800 176.519 -0.008 0.000 1.221 133 W CA 0.346 57.688 57.345 -0.005 0.000 1.257 133 W CB -0.390 29.067 29.460 -0.006 0.000 1.120 133 W HN 0.054 nan 8.180 nan 0.000 0.551 134 I N 2.112 122.592 120.570 -0.150 0.000 2.252 134 I HA -0.234 3.923 4.170 -0.021 0.000 0.245 134 I C 2.342 178.342 176.117 -0.196 0.000 1.102 134 I CA 1.393 62.497 61.300 -0.327 0.000 1.385 134 I CB -1.132 36.806 38.000 -0.104 0.000 1.064 134 I HN -0.004 nan 8.210 nan 0.000 0.414 135 K N 0.677 121.032 120.400 -0.075 0.000 2.063 135 K HA -0.193 4.114 4.320 -0.021 0.000 0.208 135 K C 1.964 178.525 176.600 -0.065 0.000 1.048 135 K CA 1.464 57.721 56.287 -0.049 0.000 0.928 135 K CB -0.074 32.423 32.500 -0.005 0.000 0.713 135 K HN 0.442 nan 8.250 nan 0.000 0.442 136 E N 0.649 120.811 120.200 -0.064 0.000 2.016 136 E HA -0.109 4.228 4.350 -0.021 0.000 0.190 136 E C 1.987 178.517 176.600 -0.118 0.000 0.985 136 E CA 0.758 57.123 56.400 -0.058 0.000 0.802 136 E CB 0.094 29.790 29.700 -0.007 0.000 0.762 136 E HN 0.095 nan 8.360 nan 0.000 0.448 137 K N 0.432 120.695 120.400 -0.227 0.000 2.097 137 K HA -0.070 4.237 4.320 -0.021 0.000 0.206 137 K C 2.079 178.534 176.600 -0.241 0.000 1.049 137 K CA 1.119 57.226 56.287 -0.299 0.000 0.933 137 K CB 0.048 32.179 32.500 -0.614 0.000 0.717 137 K HN 0.251 nan 8.250 nan 0.000 0.442 138 I N -1.490 118.943 120.570 -0.229 0.000 3.345 138 I HA 0.137 4.295 4.170 -0.021 0.000 0.258 138 I C 0.783 176.844 176.117 -0.092 0.000 1.134 138 I CA 0.301 61.509 61.300 -0.154 0.000 1.457 138 I CB 0.738 38.644 38.000 -0.156 0.000 1.425 138 I HN 0.163 nan 8.210 nan 0.000 0.461 139 G N 1.158 109.908 108.800 -0.083 0.000 2.333 139 G HA2 -0.025 3.922 3.960 -0.021 0.000 0.330 139 G HA3 -0.025 3.922 3.960 -0.021 0.000 0.330 139 G C -0.982 173.902 174.900 -0.027 0.000 1.465 139 G CA -0.815 44.259 45.100 -0.043 0.000 0.996 139 G HN 0.113 nan 8.290 nan 0.000 0.655 140 E N 1.143 121.338 120.200 -0.007 0.000 2.222 140 E HA 0.012 4.350 4.350 -0.021 0.000 0.312 140 E C 0.197 176.810 176.600 0.021 0.000 1.263 140 E CA -0.312 56.091 56.400 0.005 0.000 1.356 140 E CB 0.142 29.851 29.700 0.014 0.000 1.180 140 E HN 0.332 nan 8.360 nan 0.000 0.494 141 N N 2.201 120.912 118.700 0.019 0.000 2.406 141 N HA -0.047 4.680 4.740 -0.021 0.000 0.251 141 N C 0.808 176.341 175.510 0.038 0.000 1.069 141 N CA 0.141 53.221 53.050 0.050 0.000 0.947 141 N CB 1.034 39.562 38.487 0.070 0.000 1.111 141 N HN 0.333 nan 8.380 nan 0.000 0.497 142 E N 3.167 123.411 120.200 0.072 0.000 2.233 142 E HA -0.244 4.093 4.350 -0.021 0.000 0.199 142 E C 0.998 177.596 176.600 -0.003 0.000 1.004 142 E CA 1.280 57.727 56.400 0.077 0.000 0.819 142 E CB -0.001 29.793 29.700 0.156 0.000 0.738 142 E HN 0.682 nan 8.360 nan 0.000 0.478 143 F N 0.243 120.053 119.950 -0.233 0.000 2.179 143 F HA -0.051 4.464 4.527 -0.021 0.000 0.292 143 F C 1.879 177.396 175.800 -0.471 0.000 1.089 143 F CA 0.882 58.503 58.000 -0.632 0.000 1.295 143 F CB -0.457 38.078 39.000 -0.774 0.000 1.041 143 F HN 0.100 nan 8.300 nan 0.000 0.487 144 L N 0.738 121.763 121.223 -0.330 0.000 2.017 144 L HA -0.166 4.161 4.340 -0.021 0.000 0.208 144 L C 2.085 178.760 176.870 -0.326 0.000 1.073 144 L CA 1.885 56.517 54.840 -0.347 0.000 0.745 144 L CB -0.997 41.012 42.059 -0.084 0.000 0.894 144 L HN 0.264 nan 8.230 nan 0.000 0.432 145 L N -1.350 119.753 121.223 -0.200 0.000 2.131 145 L HA -0.177 4.150 4.340 -0.021 0.000 0.210 145 L C 2.658 179.437 176.870 -0.152 0.000 1.092 145 L CA 1.306 56.069 54.840 -0.128 0.000 0.759 145 L CB -0.665 41.361 42.059 -0.056 0.000 0.903 145 L HN 0.346 nan 8.230 nan 0.000 0.435 146 S N -0.582 114.974 115.700 -0.240 0.000 2.371 146 S HA -0.106 4.351 4.470 -0.021 0.000 0.224 146 S C 1.954 176.391 174.600 -0.271 0.000 1.029 146 S CA 0.937 59.017 58.200 -0.201 0.000 0.978 146 S CB -0.003 63.079 63.200 -0.196 0.000 0.833 146 S HN 0.162 nan 8.310 nan 0.000 0.466 147 V N 2.178 121.776 119.914 -0.527 0.000 2.358 147 V HA -0.085 4.022 4.120 -0.021 0.000 0.246 147 V C 2.297 178.197 176.094 -0.324 0.000 1.047 147 V CA 1.529 63.522 62.300 -0.511 0.000 1.035 147 V CB -0.605 30.742 31.823 -0.793 0.000 0.658 147 V HN 0.470 nan 8.190 nan 0.000 0.452 148 L N -0.170 120.900 121.223 -0.255 0.000 2.275 148 L HA -0.155 4.172 4.340 -0.021 0.000 0.215 148 L C 2.521 179.412 176.870 0.035 0.000 1.119 148 L CA 1.343 56.126 54.840 -0.094 0.000 0.790 148 L CB -0.390 41.625 42.059 -0.073 0.000 0.919 148 L HN 0.389 nan 8.230 nan 0.000 0.443 149 E N -0.084 120.110 120.200 -0.009 0.000 2.107 149 E HA -0.135 4.202 4.350 -0.021 0.000 0.191 149 E C 2.216 178.863 176.600 0.079 0.000 0.982 149 E CA 1.239 57.662 56.400 0.038 0.000 0.809 149 E CB 0.130 29.842 29.700 0.021 0.000 0.756 149 E HN 0.210 nan 8.360 nan 0.000 0.459 150 S N -0.184 115.561 115.700 0.074 0.000 2.368 150 S HA -0.079 4.378 4.470 -0.021 0.000 0.224 150 S C 1.527 176.296 174.600 0.281 0.000 1.029 150 S CA 0.896 59.200 58.200 0.174 0.000 0.988 150 S CB -0.486 62.822 63.200 0.181 0.000 0.838 150 S HN 0.431 nan 8.310 nan 0.000 0.462 151 F N 2.862 122.827 119.950 0.025 0.000 2.095 151 F HA -0.160 4.352 4.527 -0.025 0.000 0.298 151 F C 2.325 178.238 175.800 0.189 0.000 1.104 151 F CA 1.188 59.244 58.000 0.095 0.000 1.232 151 F CB -0.869 38.010 39.000 -0.201 0.000 0.987 151 F HN 0.173 nan 8.300 nan 0.000 0.475 152 A N 0.244 123.077 122.820 0.021 0.000 1.933 152 A HA -0.051 4.256 4.320 -0.021 0.000 0.218 152 A C 2.496 180.045 177.584 -0.058 0.000 1.175 152 A CA 1.730 53.722 52.037 -0.075 0.000 0.628 152 A CB -1.813 17.216 19.000 0.048 0.000 0.814 152 A HN 0.541 nan 8.150 nan 0.000 0.444 153 G N -1.793 107.042 108.800 0.058 0.000 2.402 153 G HA2 -0.236 3.711 3.960 -0.021 0.000 0.216 153 G HA3 -0.236 3.711 3.960 -0.021 0.000 0.216 153 G C 1.394 176.375 174.900 0.135 0.000 1.162 153 G CA 1.036 46.210 45.100 0.124 0.000 0.777 153 G HN 0.663 nan 8.290 nan 0.000 0.539 154 W N 1.600 122.827 121.300 -0.121 0.000 2.380 154 W HA 0.165 4.811 4.660 -0.024 0.000 0.317 154 W C 2.756 178.954 176.519 -0.535 0.000 1.196 154 W CA 2.296 59.392 57.345 -0.415 0.000 1.307 154 W CB -0.259 29.081 29.460 -0.199 0.000 1.157 154 W HN 0.216 nan 8.180 nan 0.000 0.483 155 A N -0.524 122.036 122.820 -0.434 0.000 1.968 155 A HA -0.088 4.219 4.320 -0.021 0.000 0.217 155 A C 1.261 178.556 177.584 -0.481 0.000 1.169 155 A CA 1.880 53.524 52.037 -0.655 0.000 0.638 155 A CB -0.455 18.114 19.000 -0.718 0.000 0.812 155 A HN 0.381 nan 8.150 nan 0.000 0.446 156 D N -1.670 118.526 120.400 -0.340 0.000 2.520 156 D HA 0.186 4.813 4.640 -0.021 0.000 0.223 156 D C 0.098 176.331 176.300 -0.111 0.000 1.186 156 D CA 0.605 54.481 54.000 -0.207 0.000 0.821 156 D CB 0.436 41.140 40.800 -0.160 0.000 1.072 156 D HN 0.119 nan 8.370 nan 0.000 0.518 157 S N -0.049 115.615 115.700 -0.060 0.000 3.587 157 S HA -0.156 4.301 4.470 -0.021 0.000 0.337 157 S C 0.187 174.798 174.600 0.018 0.000 1.119 157 S CA 0.868 59.096 58.200 0.046 0.000 0.976 157 S CB -1.612 61.614 63.200 0.044 0.000 0.922 157 S HN 0.469 nan 8.310 nan 0.000 0.503 158 V N -3.719 116.197 119.914 0.004 0.000 3.182 158 V HA 0.925 5.032 4.120 -0.021 0.000 0.308 158 V C 0.211 176.317 176.094 0.020 0.000 1.240 158 V CA -0.962 61.341 62.300 0.005 0.000 1.063 158 V CB 1.997 33.813 31.823 -0.012 0.000 1.076 158 V HN 0.120 nan 8.190 nan 0.000 0.446 159 S N 0.596 116.310 115.700 0.023 0.000 2.632 159 S HA 0.445 4.902 4.470 -0.021 0.000 0.271 159 S C 0.789 175.410 174.600 0.035 0.000 1.260 159 S CA -0.272 57.948 58.200 0.033 0.000 1.010 159 S CB 1.253 64.471 63.200 0.030 0.000 0.965 159 S HN 0.919 nan 8.310 nan 0.000 0.534 160 L N 3.065 124.316 121.223 0.047 0.000 2.081 160 L HA -0.149 4.178 4.340 -0.021 0.000 0.212 160 L C 2.400 179.302 176.870 0.052 0.000 1.080 160 L CA 2.219 57.096 54.840 0.061 0.000 0.754 160 L CB -1.171 40.928 42.059 0.068 0.000 0.893 160 L HN 0.852 nan 8.230 nan 0.000 0.433 161 S N -2.279 113.446 115.700 0.042 0.000 2.507 161 S HA -0.115 4.342 4.470 -0.021 0.000 0.235 161 S C 1.446 176.059 174.600 0.021 0.000 0.988 161 S CA 0.951 59.172 58.200 0.035 0.000 0.944 161 S CB -0.545 62.674 63.200 0.032 0.000 0.762 161 S HN 0.502 nan 8.310 nan 0.000 0.526 162 D N 0.920 121.330 120.400 0.016 0.000 2.349 162 D HA 0.268 4.895 4.640 -0.021 0.000 0.215 162 D C 0.290 176.585 176.300 -0.008 0.000 1.016 162 D CA 0.242 54.243 54.000 0.002 0.000 0.870 162 D CB 0.175 40.975 40.800 -0.000 0.000 0.917 162 D HN 0.423 nan 8.370 nan 0.000 0.524 163 L N 0.781 122.003 121.223 -0.002 0.000 2.334 163 L HA 0.253 4.580 4.340 -0.021 0.000 0.275 163 L C 0.928 177.775 176.870 -0.038 0.000 1.036 163 L CA -0.637 54.192 54.840 -0.018 0.000 0.807 163 L CB 1.768 43.829 42.059 0.004 0.000 1.231 163 L HN -0.124 nan 8.230 nan 0.000 0.438 164 T N -1.337 113.172 114.554 -0.075 0.000 2.849 164 T HA 0.369 4.706 4.350 -0.021 0.000 0.284 164 T C 1.084 175.652 174.700 -0.220 0.000 1.004 164 T CA -0.124 61.905 62.100 -0.119 0.000 1.021 164 T CB 1.617 70.413 68.868 -0.120 0.000 1.013 164 T HN 0.646 nan 8.240 nan 0.000 0.527 165 A N 0.837 123.440 122.820 -0.360 0.000 1.933 165 A HA 0.021 4.329 4.320 -0.021 0.000 0.218 165 A C 2.117 179.230 177.584 -0.785 0.000 1.175 165 A CA 1.357 52.888 52.037 -0.843 0.000 0.628 165 A CB -0.974 17.367 19.000 -1.099 0.000 0.814 165 A HN 0.796 nan 8.150 nan 0.000 0.444 166 L N -0.117 120.818 121.223 -0.480 0.000 2.046 166 L HA -0.128 4.199 4.340 -0.021 0.000 0.208 166 L C 2.281 179.015 176.870 -0.228 0.000 1.077 166 L CA 2.722 57.360 54.840 -0.336 0.000 0.747 166 L CB -0.641 41.289 42.059 -0.216 0.000 0.896 166 L HN 0.469 nan 8.230 nan 0.000 0.432 167 E N -0.428 119.667 120.200 -0.175 0.000 2.051 167 E HA -0.249 4.088 4.350 -0.021 0.000 0.192 167 E C 2.094 178.657 176.600 -0.063 0.000 0.991 167 E CA 1.750 58.089 56.400 -0.102 0.000 0.799 167 E CB -0.644 29.008 29.700 -0.080 0.000 0.748 167 E HN 0.408 nan 8.360 nan 0.000 0.449 168 L N 0.238 121.419 121.223 -0.070 0.000 2.046 168 L HA -0.004 4.323 4.340 -0.021 0.000 0.208 168 L C 2.197 179.085 176.870 0.029 0.000 1.077 168 L CA 2.238 57.101 54.840 0.038 0.000 0.747 168 L CB -1.019 41.092 42.059 0.087 0.000 0.896 168 L HN 0.181 nan 8.230 nan 0.000 0.432 169 A N -0.538 122.233 122.820 -0.080 0.000 1.902 169 A HA -0.242 4.066 4.320 -0.021 0.000 0.217 169 A C 2.341 179.899 177.584 -0.043 0.000 1.181 169 A CA 2.037 54.054 52.037 -0.033 0.000 0.623 169 A CB -0.519 18.375 19.000 -0.176 0.000 0.818 169 A HN 0.521 nan 8.150 nan 0.000 0.443 170 K N -0.461 119.895 120.400 -0.074 0.000 2.097 170 K HA -0.121 4.186 4.320 -0.021 0.000 0.205 170 K C 1.908 178.473 176.600 -0.059 0.000 1.050 170 K CA 1.493 57.731 56.287 -0.082 0.000 0.938 170 K CB -0.135 32.317 32.500 -0.080 0.000 0.718 170 K HN 0.614 nan 8.250 nan 0.000 0.442 171 E N 0.616 120.827 120.200 0.018 0.000 2.152 171 E HA -0.100 4.238 4.350 -0.021 0.000 0.192 171 E C 1.912 178.559 176.600 0.078 0.000 0.983 171 E CA 0.666 57.134 56.400 0.113 0.000 0.818 171 E CB 0.037 29.886 29.700 0.248 0.000 0.758 171 E HN 0.274 nan 8.360 nan 0.000 0.467 172 I N 0.659 121.237 120.570 0.013 0.000 2.286 172 I HA -0.236 3.922 4.170 -0.021 0.000 0.245 172 I C 2.661 178.723 176.117 -0.091 0.000 1.104 172 I CA 0.821 62.093 61.300 -0.046 0.000 1.397 172 I CB -0.143 37.848 38.000 -0.015 0.000 1.072 172 I HN 0.013 nan 8.210 nan 0.000 0.417 173 R N 1.367 121.792 120.500 -0.125 0.000 2.073 173 R HA -0.189 4.139 4.340 -0.021 0.000 0.234 173 R C 2.391 178.445 176.300 -0.410 0.000 1.134 173 R CA 1.707 57.671 56.100 -0.227 0.000 0.952 173 R CB -0.302 29.859 30.300 -0.231 0.000 0.850 173 R HN 0.331 nan 8.270 nan 0.000 0.433 174 A N 0.633 123.189 122.820 -0.440 0.000 1.940 174 A HA -0.155 4.152 4.320 -0.021 0.000 0.219 174 A C 2.353 179.637 177.584 -0.500 0.000 1.176 174 A CA 1.853 53.436 52.037 -0.756 0.000 0.631 174 A CB -0.839 17.948 19.000 -0.355 0.000 0.814 174 A HN 0.575 nan 8.150 nan 0.000 0.446 175 A N -0.462 122.305 122.820 -0.088 0.000 1.930 175 A HA 0.053 4.360 4.320 -0.021 0.000 0.217 175 A C 2.134 179.696 177.584 -0.037 0.000 1.175 175 A CA 1.341 53.428 52.037 0.083 0.000 0.627 175 A CB -0.492 18.551 19.000 0.071 0.000 0.815 175 A HN 0.478 nan 8.150 nan 0.000 0.443 176 L N -1.140 120.005 121.223 -0.130 0.000 2.109 176 L HA -0.131 4.196 4.340 -0.021 0.000 0.207 176 L C 2.874 179.661 176.870 -0.138 0.000 1.086 176 L CA 0.952 55.735 54.840 -0.095 0.000 0.760 176 L CB -0.506 41.495 42.059 -0.097 0.000 0.910 176 L HN 0.319 nan 8.230 nan 0.000 0.437 177 R N -0.413 119.846 120.500 -0.401 0.000 2.057 177 R HA -0.103 4.224 4.340 -0.021 0.000 0.229 177 R C 1.721 177.822 176.300 -0.333 0.000 1.136 177 R CA 1.219 56.952 56.100 -0.612 0.000 0.952 177 R CB -0.302 29.106 30.300 -1.486 0.000 0.848 177 R HN 0.427 nan 8.270 nan 0.000 0.430 178 W N 0.481 121.642 121.300 -0.232 0.000 3.220 178 W HA 0.345 4.996 4.660 -0.014 0.000 0.328 178 W C 0.940 177.519 176.519 0.100 0.000 1.205 178 W CA 0.316 57.602 57.345 -0.097 0.000 1.773 178 W CB -0.562 28.716 29.460 -0.304 0.000 1.086 178 W HN 0.295 nan 8.180 nan 0.000 0.622 179 G N 0.980 109.946 108.800 0.277 0.000 2.562 179 G HA2 -0.136 3.811 3.960 -0.021 0.000 0.250 179 G HA3 -0.136 3.811 3.960 -0.021 0.000 0.250 179 G C 0.354 175.444 174.900 0.316 0.000 1.269 179 G CA -0.385 44.871 45.100 0.259 0.000 0.919 179 G HN 0.423 nan 8.290 nan 0.000 0.574 180 G N 0.666 109.587 108.800 0.202 0.000 2.543 180 G HA2 0.763 4.710 3.960 -0.021 0.000 0.290 180 G HA3 0.763 4.710 3.960 -0.021 0.000 0.290 180 G C -1.746 173.242 174.900 0.147 0.000 1.310 180 G CA -0.005 45.178 45.100 0.140 0.000 1.025 180 G HN 0.776 nan 8.290 nan 0.000 0.502 181 P HA 0.418 nan 4.420 nan 0.000 0.277 181 P C -0.183 177.175 177.300 0.097 0.000 1.276 181 P CA -0.054 63.105 63.100 0.098 0.000 0.788 181 P CB 1.491 33.259 31.700 0.113 0.000 1.114 182 G N -0.349 108.511 108.800 0.100 0.000 2.733 182 G HA2 0.539 4.486 3.960 -0.021 0.000 0.297 182 G HA3 0.539 4.486 3.960 -0.021 0.000 0.297 182 G C -1.293 173.664 174.900 0.095 0.000 1.422 182 G CA -0.708 44.448 45.100 0.093 0.000 0.942 182 G HN 0.374 nan 8.290 nan 0.000 0.510 183 L N 0.755 122.029 121.223 0.085 0.000 2.421 183 L HA 0.557 4.884 4.340 -0.021 0.000 0.263 183 L C -0.080 176.834 176.870 0.073 0.000 1.122 183 L CA -0.820 54.072 54.840 0.087 0.000 0.804 183 L CB 1.515 43.621 42.059 0.079 0.000 1.150 183 L HN 0.313 nan 8.230 nan 0.000 0.457 184 I N 1.904 122.513 120.570 0.065 0.000 2.355 184 I HA 0.335 4.492 4.170 -0.021 0.000 0.288 184 I C 0.175 176.285 176.117 -0.012 0.000 0.999 184 I CA -0.585 60.736 61.300 0.036 0.000 1.163 184 I CB 1.425 39.447 38.000 0.037 0.000 1.316 184 I HN 0.573 nan 8.210 nan 0.000 0.454 185 R N 4.751 125.246 120.500 -0.007 0.000 2.489 185 R HA 0.296 4.623 4.340 -0.021 0.000 0.287 185 R C 1.094 177.358 176.300 -0.059 0.000 1.053 185 R CA 1.280 57.363 56.100 -0.028 0.000 1.036 185 R CB 0.368 30.663 30.300 -0.009 0.000 0.966 185 R HN 0.985 nan 8.270 nan 0.000 0.432 186 G N 2.130 110.872 108.800 -0.097 0.000 2.176 186 G HA2 -0.199 3.748 3.960 -0.021 0.000 0.253 186 G HA3 -0.199 3.748 3.960 -0.021 0.000 0.253 186 G C 0.588 175.358 174.900 -0.216 0.000 0.979 186 G CA -0.089 44.938 45.100 -0.121 0.000 0.641 186 G HN 1.491 nan 8.290 nan 0.000 0.530 187 G N -1.879 106.739 108.800 -0.305 0.000 2.741 187 G HA2 -0.038 3.909 3.960 -0.021 0.000 0.222 187 G HA3 -0.038 3.909 3.960 -0.021 0.000 0.222 187 G C 1.187 175.948 174.900 -0.232 0.000 1.364 187 G CA 0.427 45.205 45.100 -0.537 0.000 0.866 187 G HN 1.325 nan 8.290 nan 0.000 0.555 188 C N -0.226 118.988 119.300 -0.144 0.000 2.413 188 C HA -0.035 4.412 4.460 -0.021 0.000 0.277 188 C C 2.892 177.686 174.990 -0.326 0.000 1.265 188 C CA 1.931 60.618 59.018 -0.552 0.000 1.752 188 C CB -1.041 26.098 27.740 -1.001 0.000 1.998 188 C HN 0.819 nan 8.230 nan 0.000 0.489 189 K N 1.127 121.423 120.400 -0.174 0.000 2.211 189 K HA -0.163 4.144 4.320 -0.021 0.000 0.204 189 K C 2.056 178.631 176.600 -0.042 0.000 1.047 189 K CA 1.385 57.624 56.287 -0.080 0.000 0.935 189 K CB -0.227 32.240 32.500 -0.055 0.000 0.728 189 K HN 0.473 nan 8.250 nan 0.000 0.452 190 A N 0.392 123.178 122.820 -0.056 0.000 1.908 190 A HA -0.133 4.174 4.320 -0.021 0.000 0.218 190 A C 2.177 179.774 177.584 0.021 0.000 1.181 190 A CA 1.696 53.721 52.037 -0.021 0.000 0.627 190 A CB -0.544 18.439 19.000 -0.028 0.000 0.818 190 A HN 0.168 nan 8.150 nan 0.000 0.445 191 V N 0.543 120.494 119.914 0.060 0.000 2.358 191 V HA -0.213 3.895 4.120 -0.021 0.000 0.246 191 V C 2.434 178.594 176.094 0.110 0.000 1.047 191 V CA 1.619 63.997 62.300 0.130 0.000 1.035 191 V CB -0.618 31.398 31.823 0.322 0.000 0.658 191 V HN 0.511 nan 8.190 nan 0.000 0.452 192 I N 0.358 120.996 120.570 0.113 0.000 2.226 192 I HA -0.207 3.950 4.170 -0.021 0.000 0.245 192 I C 2.306 178.449 176.117 0.043 0.000 1.100 192 I CA 1.660 63.011 61.300 0.086 0.000 1.374 192 I CB -1.372 36.672 38.000 0.073 0.000 1.057 192 I HN 0.349 nan 8.210 nan 0.000 0.413 193 D N 0.729 121.146 120.400 0.028 0.000 2.144 193 D HA -0.171 4.457 4.640 -0.021 0.000 0.199 193 D C 2.127 178.436 176.300 0.016 0.000 0.984 193 D CA 0.983 54.992 54.000 0.015 0.000 0.834 193 D CB -0.061 40.742 40.800 0.006 0.000 0.955 193 D HN 0.335 nan 8.370 nan 0.000 0.465 194 E N 0.408 120.620 120.200 0.021 0.000 2.072 194 E HA -0.050 4.287 4.350 -0.021 0.000 0.191 194 E C 2.515 179.125 176.600 0.016 0.000 0.985 194 E CA 0.196 56.606 56.400 0.017 0.000 0.801 194 E CB -0.172 29.540 29.700 0.019 0.000 0.750 194 E HN 0.357 nan 8.360 nan 0.000 0.452 195 L N 0.674 121.910 121.223 0.023 0.000 2.093 195 L HA -0.154 4.173 4.340 -0.021 0.000 0.208 195 L C 2.630 179.508 176.870 0.013 0.000 1.085 195 L CA 1.189 56.039 54.840 0.018 0.000 0.755 195 L CB -0.378 41.693 42.059 0.021 0.000 0.904 195 L HN 0.156 nan 8.230 nan 0.000 0.435 196 E N 0.777 120.985 120.200 0.013 0.000 2.077 196 E HA -0.280 4.058 4.350 -0.021 0.000 0.193 196 E C 2.377 178.980 176.600 0.005 0.000 0.989 196 E CA 1.136 57.540 56.400 0.008 0.000 0.800 196 E CB 0.016 29.721 29.700 0.008 0.000 0.746 196 E HN 0.303 nan 8.360 nan 0.000 0.452 197 R N 0.538 121.041 120.500 0.005 0.000 2.081 197 R HA -0.125 4.202 4.340 -0.021 0.000 0.235 197 R C 2.359 178.659 176.300 0.000 0.000 1.131 197 R CA 1.593 57.694 56.100 0.002 0.000 0.960 197 R CB -0.309 29.993 30.300 0.002 0.000 0.856 197 R HN 0.275 nan 8.270 nan 0.000 0.436 198 I N 1.034 121.605 120.570 0.001 0.000 2.286 198 I HA -0.194 3.963 4.170 -0.021 0.000 0.248 198 I C 1.411 177.526 176.117 -0.003 0.000 1.115 198 I CA 0.709 62.007 61.300 -0.003 0.000 1.392 198 I CB -0.099 37.900 38.000 -0.002 0.000 1.065 198 I HN 0.147 nan 8.210 nan 0.000 0.418 202 N N 1.601 120.295 118.700 -0.010 0.000 2.535 202 N HA 0.151 4.878 4.740 -0.021 0.000 0.294 202 N C -0.450 175.056 175.510 -0.007 0.000 1.408 202 N CA 0.098 53.139 53.050 -0.014 0.000 0.927 202 N CB 0.655 39.130 38.487 -0.020 0.000 1.276 202 N HN 0.100 nan 8.380 nan 0.000 0.505 203 K N -1.270 119.128 120.400 -0.003 0.000 3.472 203 K HA -0.151 4.156 4.320 -0.021 0.000 0.315 203 K C 0.741 177.347 176.600 0.010 0.000 1.320 203 K CA 0.933 57.222 56.287 0.003 0.000 0.962 203 K CB -1.319 31.181 32.500 0.000 0.000 1.251 203 K HN 0.367 nan 8.250 nan 0.000 0.443 204 G N 0.945 109.750 108.800 0.009 0.000 2.562 204 G HA2 0.459 4.406 3.960 -0.021 0.000 0.275 204 G HA3 0.459 4.406 3.960 -0.021 0.000 0.275 204 G C -0.587 174.317 174.900 0.007 0.000 1.196 204 G CA -0.524 44.583 45.100 0.012 0.000 0.908 204 G HN 0.028 nan 8.290 nan 0.000 0.524 205 K N -0.424 119.977 120.400 0.002 0.000 2.371 205 K HA 0.534 4.841 4.320 -0.021 0.000 0.251 205 K C -1.064 175.522 176.600 -0.023 0.000 0.934 205 K CA -0.567 55.718 56.287 -0.004 0.000 0.798 205 K CB 2.661 35.165 32.500 0.006 0.000 1.204 205 K HN 0.293 nan 8.250 nan 0.000 0.427 206 I N 4.294 124.852 120.570 -0.020 0.000 2.448 206 I HA 0.270 4.428 4.170 -0.021 0.000 0.281 206 I C -1.006 175.095 176.117 -0.027 0.000 1.027 206 I CA -0.642 60.640 61.300 -0.031 0.000 1.111 206 I CB 1.123 39.112 38.000 -0.019 0.000 1.236 206 I HN 0.312 nan 8.210 nan 0.000 0.452 207 L N 6.310 127.504 121.223 -0.048 0.000 2.294 207 L HA 0.461 4.788 4.340 -0.021 0.000 0.283 207 L C 0.563 177.416 176.870 -0.029 0.000 1.015 207 L CA -0.573 54.248 54.840 -0.032 0.000 0.831 207 L CB 1.460 43.495 42.059 -0.040 0.000 1.217 207 L HN 0.576 nan 8.230 nan 0.000 0.420 208 T N -0.725 113.823 114.554 -0.009 0.000 2.874 208 T HA 0.406 4.743 4.350 -0.021 0.000 0.281 208 T C 0.733 175.437 174.700 0.006 0.000 0.994 208 T CA -0.683 61.414 62.100 -0.005 0.000 1.015 208 T CB 1.086 69.955 68.868 0.001 0.000 1.028 208 T HN 0.678 nan 8.240 nan 0.000 0.523 209 R N -0.229 120.275 120.500 0.007 0.000 3.651 209 R HA -0.103 4.224 4.340 -0.021 0.000 0.292 209 R C -0.861 175.454 176.300 0.025 0.000 1.161 209 R CA 0.396 56.505 56.100 0.016 0.000 0.787 209 R CB -1.226 29.086 30.300 0.020 0.000 1.249 209 R HN 0.507 nan 8.270 nan 0.000 0.476 210 K N 1.485 121.894 120.400 0.016 0.000 2.521 210 K HA 0.185 4.492 4.320 -0.021 0.000 0.248 210 K C -0.308 176.304 176.600 0.019 0.000 0.978 210 K CA -0.311 55.992 56.287 0.027 0.000 0.947 210 K CB 1.448 33.948 32.500 0.000 0.000 1.165 210 K HN 0.200 nan 8.250 nan 0.000 0.445 211 E N 3.189 123.412 120.200 0.039 0.000 2.130 211 E HA 0.157 4.494 4.350 -0.021 0.000 0.284 211 E C -0.569 176.065 176.600 0.056 0.000 1.018 211 E CA -0.563 55.858 56.400 0.036 0.000 0.817 211 E CB 0.941 30.663 29.700 0.037 0.000 1.078 211 E HN 0.099 nan 8.360 nan 0.000 0.396 212 V N 5.380 125.320 119.914 0.044 0.000 2.572 212 V HA -0.007 4.100 4.120 -0.021 0.000 0.291 212 V C 1.161 177.304 176.094 0.082 0.000 1.039 212 V CA 0.132 62.474 62.300 0.071 0.000 1.055 212 V CB 1.144 32.991 31.823 0.039 0.000 0.969 212 V HN 0.732 nan 8.190 nan 0.000 0.482 213 V N 0.926 120.911 119.914 0.119 0.000 3.556 213 V HA 0.510 4.617 4.120 -0.021 0.000 0.287 213 V C 0.310 176.474 176.094 0.116 0.000 1.422 213 V CA 0.296 62.657 62.300 0.102 0.000 1.038 213 V CB 0.168 32.045 31.823 0.091 0.000 0.850 213 V HN 0.874 nan 8.190 nan 0.000 0.437 214 E N 0.360 120.662 120.200 0.169 0.000 2.397 214 E HA 0.482 4.819 4.350 -0.021 0.000 0.293 214 E C -1.823 174.928 176.600 0.252 0.000 0.930 214 E CA -0.617 55.895 56.400 0.185 0.000 0.793 214 E CB 2.424 32.209 29.700 0.142 0.000 1.259 214 E HN 0.421 nan 8.360 nan 0.000 0.406 215 I N 4.046 124.732 120.570 0.193 0.000 2.388 215 I HA 0.219 4.376 4.170 -0.021 0.000 0.281 215 I C -0.087 176.153 176.117 0.206 0.000 1.046 215 I CA -0.705 60.717 61.300 0.204 0.000 1.187 215 I CB 0.927 38.990 38.000 0.105 0.000 1.351 215 I HN 0.295 nan 8.210 nan 0.000 0.472 216 N N 6.919 125.792 118.700 0.288 0.000 2.402 216 N HA 0.131 4.859 4.740 -0.021 0.000 0.252 216 N C 0.945 176.520 175.510 0.107 0.000 1.118 216 N CA -0.197 52.956 53.050 0.172 0.000 0.945 216 N CB 0.987 39.628 38.487 0.257 0.000 1.147 216 N HN 0.454 nan 8.380 nan 0.000 0.495 217 I N 3.047 123.575 120.570 -0.070 0.000 2.226 217 I HA -0.203 3.954 4.170 -0.021 0.000 0.245 217 I C 1.790 177.857 176.117 -0.084 0.000 1.100 217 I CA 1.152 62.396 61.300 -0.094 0.000 1.374 217 I CB -0.671 37.117 38.000 -0.353 0.000 1.057 217 I HN 0.604 nan 8.210 nan 0.000 0.413 218 E N 0.614 120.774 120.200 -0.067 0.000 2.072 218 E HA -0.200 4.137 4.350 -0.021 0.000 0.191 218 E C 1.951 178.531 176.600 -0.033 0.000 0.985 218 E CA 1.148 57.540 56.400 -0.012 0.000 0.801 218 E CB -0.049 29.683 29.700 0.053 0.000 0.750 218 E HN 0.580 nan 8.360 nan 0.000 0.452 219 E N 0.476 120.665 120.200 -0.018 0.000 2.299 219 E HA -0.009 4.328 4.350 -0.021 0.000 0.193 219 E C -0.195 176.308 176.600 -0.161 0.000 0.998 219 E CA 0.088 56.467 56.400 -0.035 0.000 0.851 219 E CB 0.148 29.883 29.700 0.059 0.000 0.795 219 E HN 0.053 nan 8.360 nan 0.000 0.492 220 K N 0.964 121.212 120.400 -0.254 0.000 3.372 220 K HA -0.172 4.136 4.320 -0.021 0.000 0.272 220 K C -0.944 175.220 176.600 -0.727 0.000 1.037 220 K CA 0.587 56.387 56.287 -0.811 0.000 0.777 220 K CB -1.215 30.783 32.500 -0.836 0.000 1.347 220 K HN 0.072 nan 8.250 nan 0.000 0.460 221 K N 0.193 120.530 120.400 -0.104 0.000 2.464 221 K HA 0.522 4.829 4.320 -0.021 0.000 0.253 221 K C -0.653 176.107 176.600 0.266 0.000 0.933 221 K CA -0.933 55.383 56.287 0.048 0.000 0.801 221 K CB 2.780 35.202 32.500 -0.130 0.000 1.271 221 K HN -0.069 nan 8.250 nan 0.000 0.430 222 V N 3.095 123.129 119.914 0.200 0.000 2.459 222 V HA 0.384 4.491 4.120 -0.021 0.000 0.295 222 V C -1.176 174.943 176.094 0.042 0.000 1.029 222 V CA -0.717 61.706 62.300 0.205 0.000 0.874 222 V CB 0.738 32.666 31.823 0.176 0.000 0.985 222 V HN 0.589 nan 8.190 nan 0.000 0.438 223 Y N 2.195 122.598 120.300 0.173 0.000 2.409 223 Y HA 0.603 5.140 4.550 -0.022 0.000 0.339 223 Y C 0.881 176.864 175.900 0.137 0.000 1.033 223 Y CA -0.661 57.525 58.100 0.142 0.000 1.094 223 Y CB 2.112 40.627 38.460 0.093 0.000 1.210 223 Y HN 0.715 nan 8.280 nan 0.000 0.456 224 T N -1.525 113.194 114.554 0.274 0.000 2.952 224 T HA 0.341 4.678 4.350 -0.021 0.000 0.286 224 T C 0.930 175.725 174.700 0.160 0.000 1.024 224 T CA -0.989 61.230 62.100 0.199 0.000 1.029 224 T CB 1.834 70.826 68.868 0.206 0.000 1.094 224 T HN 0.677 nan 8.240 nan 0.000 0.515 225 R N 0.967 121.535 120.500 0.114 0.000 2.117 225 R HA -0.138 4.190 4.340 -0.021 0.000 0.243 225 R C 1.469 177.818 176.300 0.081 0.000 1.143 225 R CA 2.212 58.364 56.100 0.086 0.000 0.968 225 R CB -0.748 29.590 30.300 0.063 0.000 0.863 225 R HN 0.857 nan 8.270 nan 0.000 0.444 226 D N -0.579 119.872 120.400 0.085 0.000 2.352 226 D HA -0.045 4.582 4.640 -0.021 0.000 0.236 226 D C -0.451 175.894 176.300 0.074 0.000 1.148 226 D CA 0.018 54.061 54.000 0.071 0.000 0.844 226 D CB -0.364 40.475 40.800 0.064 0.000 0.933 226 D HN 0.216 nan 8.370 nan 0.000 0.507 227 N N 0.467 119.227 118.700 0.099 0.000 2.776 227 N HA -0.171 4.556 4.740 -0.021 0.000 0.250 227 N C -0.738 174.813 175.510 0.068 0.000 1.112 227 N CA 0.671 53.787 53.050 0.109 0.000 0.733 227 N CB -1.473 37.061 38.487 0.078 0.000 1.097 227 N HN 0.605 nan 8.380 nan 0.000 0.558 228 E N 0.524 120.753 120.200 0.047 0.000 2.313 228 E HA 0.234 4.572 4.350 -0.021 0.000 0.272 228 E C -0.110 176.334 176.600 -0.260 0.000 1.038 228 E CA -0.398 55.933 56.400 -0.114 0.000 0.863 228 E CB 0.793 30.446 29.700 -0.078 0.000 1.060 228 E HN 0.017 nan 8.360 nan 0.000 0.402 229 E N 1.929 121.828 120.200 -0.501 0.000 2.171 229 E HA 0.300 4.637 4.350 -0.021 0.000 0.271 229 E C -1.224 174.942 176.600 -0.723 0.000 0.916 229 E CA -0.559 55.507 56.400 -0.557 0.000 0.774 229 E CB 0.904 30.364 29.700 -0.400 0.000 1.128 229 E HN 0.372 nan 8.360 nan 0.000 0.403 230 Y N 0.239 120.438 120.300 -0.169 0.000 2.349 230 Y HA 0.195 4.732 4.550 -0.021 0.000 0.324 230 Y C 0.386 176.280 175.900 -0.010 0.000 1.005 230 Y CA -0.893 57.173 58.100 -0.056 0.000 1.240 230 Y CB 1.404 39.858 38.460 -0.010 0.000 1.117 230 Y HN 0.306 nan 8.280 nan 0.000 0.463 231 S N 3.190 118.937 115.700 0.079 0.000 2.592 231 S HA 0.771 5.228 4.470 -0.021 0.000 0.271 231 S C -0.696 173.988 174.600 0.139 0.000 1.326 231 S CA -0.462 57.748 58.200 0.018 0.000 1.024 231 S CB 0.688 63.852 63.200 -0.059 0.000 0.921 231 S HN 0.524 nan 8.310 nan 0.000 0.527 232 F N -1.309 118.653 119.950 0.020 0.000 2.626 232 F HA 0.630 5.144 4.527 -0.021 0.000 0.311 232 F C -0.181 175.630 175.800 0.018 0.000 1.088 232 F CA -1.251 56.763 58.000 0.023 0.000 0.949 232 F CB 0.812 39.823 39.000 0.019 0.000 1.322 232 F HN 0.409 nan 8.300 nan 0.000 0.461 233 D N 0.854 121.400 120.400 0.242 0.000 2.324 233 D HA 0.184 4.811 4.640 -0.021 0.000 0.212 233 D C -0.134 176.355 176.300 0.315 0.000 0.984 233 D CA 1.188 55.277 54.000 0.148 0.000 0.885 233 D CB 1.324 42.188 40.800 0.107 0.000 0.996 233 D HN 0.225 nan 8.370 nan 0.000 0.505 234 V N 0.349 120.514 119.914 0.419 0.000 2.888 234 V HA 0.642 4.749 4.120 -0.021 0.000 0.309 234 V C -1.083 175.015 176.094 0.007 0.000 1.114 234 V CA -1.039 61.418 62.300 0.263 0.000 0.940 234 V CB 2.220 34.093 31.823 0.082 0.000 1.021 234 V HN 0.086 nan 8.190 nan 0.000 0.426 235 A N 5.096 127.730 122.820 -0.310 0.000 2.343 235 A HA 0.894 5.201 4.320 -0.021 0.000 0.316 235 A C -1.111 176.299 177.584 -0.289 0.000 1.104 235 A CA -0.471 51.218 52.037 -0.581 0.000 0.768 235 A CB 0.971 19.269 19.000 -1.171 0.000 1.213 235 A HN 0.572 nan 8.150 nan 0.000 0.456 236 I N 2.227 122.658 120.570 -0.232 0.000 2.354 236 I HA 0.307 4.464 4.170 -0.021 0.000 0.286 236 I C 0.498 176.502 176.117 -0.188 0.000 1.007 236 I CA -0.085 61.107 61.300 -0.180 0.000 1.167 236 I CB 1.093 39.016 38.000 -0.129 0.000 1.320 236 I HN 0.562 nan 8.210 nan 0.000 0.458 237 S N 5.005 120.577 115.700 -0.213 0.000 2.457 237 S HA 0.277 4.734 4.470 -0.021 0.000 0.289 237 S C 0.560 175.050 174.600 -0.183 0.000 1.163 237 S CA -0.340 57.743 58.200 -0.195 0.000 1.078 237 S CB 0.273 63.345 63.200 -0.214 0.000 0.987 237 S HN 0.598 nan 8.310 nan 0.000 0.482 238 N N 3.904 122.521 118.700 -0.138 0.000 2.328 238 N HA 0.200 4.927 4.740 -0.021 0.000 0.247 238 N C 0.015 175.465 175.510 -0.101 0.000 1.165 238 N CA -0.066 52.912 53.050 -0.119 0.000 0.873 238 N CB 0.340 38.766 38.487 -0.101 0.000 1.125 238 N HN 0.383 nan 8.380 nan 0.000 0.513 239 V N -0.575 119.276 119.914 -0.104 0.000 3.483 239 V HA 0.478 4.585 4.120 -0.021 0.000 0.301 239 V C 0.789 176.839 176.094 -0.075 0.000 1.389 239 V CA 0.301 62.554 62.300 -0.077 0.000 1.101 239 V CB -0.498 31.290 31.823 -0.059 0.000 0.971 239 V HN 0.436 nan 8.190 nan 0.000 0.434 240 G N 0.012 108.752 108.800 -0.099 0.000 2.721 240 G HA2 -0.120 3.828 3.960 -0.021 0.000 0.686 240 G HA3 -0.120 3.828 3.960 -0.021 0.000 0.686 240 G C 0.244 175.092 174.900 -0.088 0.000 1.236 240 G CA -0.448 44.602 45.100 -0.084 0.000 0.786 240 G HN -0.017 nan 8.290 nan 0.000 0.616 241 V N 2.450 122.324 119.914 -0.067 0.000 2.282 241 V HA -0.270 3.837 4.120 -0.021 0.000 0.249 241 V C 3.063 179.169 176.094 0.020 0.000 1.057 241 V CA 3.126 65.423 62.300 -0.005 0.000 1.032 241 V CB -0.668 31.200 31.823 0.074 0.000 0.645 241 V HN 0.876 nan 8.190 nan 0.000 0.447 242 R N -0.010 120.477 120.500 -0.020 0.000 2.073 242 R HA -0.241 4.086 4.340 -0.021 0.000 0.234 242 R C 2.354 178.646 176.300 -0.013 0.000 1.134 242 R CA 2.156 58.235 56.100 -0.035 0.000 0.952 242 R CB -0.283 29.993 30.300 -0.040 0.000 0.850 242 R HN 0.523 nan 8.270 nan 0.000 0.433 243 E N -0.354 119.841 120.200 -0.009 0.000 2.106 243 E HA -0.105 4.232 4.350 -0.021 0.000 0.192 243 E C 1.650 178.271 176.600 0.034 0.000 0.984 243 E CA 2.039 58.443 56.400 0.006 0.000 0.806 243 E CB -0.181 29.515 29.700 -0.007 0.000 0.750 243 E HN 0.333 nan 8.360 nan 0.000 0.458 244 T N -0.238 114.335 114.554 0.032 0.000 2.788 244 T HA -0.105 4.232 4.350 -0.021 0.000 0.268 244 T C 1.867 176.701 174.700 0.224 0.000 1.044 244 T CA 1.228 63.383 62.100 0.093 0.000 1.139 244 T CB -0.285 68.583 68.868 0.001 0.000 0.867 244 T HN 0.004 nan 8.240 nan 0.000 0.454 245 V N 1.637 121.643 119.914 0.154 0.000 2.343 245 V HA -0.170 3.937 4.120 -0.021 0.000 0.247 245 V C 2.535 178.725 176.094 0.160 0.000 1.051 245 V CA 1.657 63.977 62.300 0.034 0.000 1.036 245 V CB -0.494 31.153 31.823 -0.293 0.000 0.654 245 V HN 0.461 nan 8.190 nan 0.000 0.451 246 K N -0.132 120.327 120.400 0.098 0.000 2.097 246 K HA -0.136 4.171 4.320 -0.021 0.000 0.206 246 K C 2.095 178.774 176.600 0.132 0.000 1.049 246 K CA 1.473 57.822 56.287 0.103 0.000 0.933 246 K CB -0.156 32.379 32.500 0.059 0.000 0.717 246 K HN 0.411 nan 8.250 nan 0.000 0.442 247 L N 0.625 121.928 121.223 0.132 0.000 2.156 247 L HA -0.111 4.216 4.340 -0.021 0.000 0.208 247 L C 2.309 179.276 176.870 0.161 0.000 1.095 247 L CA 0.793 55.710 54.840 0.129 0.000 0.770 247 L CB -0.173 41.948 42.059 0.103 0.000 0.914 247 L HN 0.215 nan 8.230 nan 0.000 0.439 248 I N -0.881 119.823 120.570 0.223 0.000 2.400 248 I HA 0.065 4.222 4.170 -0.021 0.000 0.248 248 I C 0.820 177.091 176.117 0.257 0.000 1.109 248 I CA 0.655 62.080 61.300 0.208 0.000 1.425 248 I CB -0.035 38.158 38.000 0.322 0.000 1.094 248 I HN 0.321 nan 8.210 nan 0.000 0.425 249 G N 0.832 109.865 108.800 0.387 0.000 3.187 249 G HA2 -0.091 3.856 3.960 -0.021 0.000 0.682 249 G HA3 -0.091 3.856 3.960 -0.021 0.000 0.682 249 G C 0.123 175.342 174.900 0.530 0.000 1.266 249 G CA -0.730 44.619 45.100 0.415 0.000 0.902 249 G HN 0.087 nan 8.290 nan 0.000 0.589 250 R N 0.903 121.616 120.500 0.354 0.000 2.139 250 R HA -0.103 4.224 4.340 -0.021 0.000 0.243 250 R C 1.677 178.163 176.300 0.310 0.000 1.145 250 R CA 1.711 58.022 56.100 0.351 0.000 0.976 250 R CB -0.049 30.351 30.300 0.167 0.000 0.866 250 R HN 0.569 nan 8.270 nan 0.000 0.449 251 D N -0.222 120.247 120.400 0.115 0.000 2.309 251 D HA -0.149 4.478 4.640 -0.021 0.000 0.212 251 D C 0.926 177.078 176.300 -0.248 0.000 0.968 251 D CA 1.165 55.103 54.000 -0.103 0.000 0.882 251 D CB -0.094 40.552 40.800 -0.257 0.000 0.918 251 D HN 0.347 nan 8.370 nan 0.000 0.503 252 Y N -1.064 119.185 120.300 -0.086 0.000 2.529 252 Y HA 0.147 4.684 4.550 -0.022 0.000 0.290 252 Y C 0.144 175.608 175.900 -0.727 0.000 1.177 252 Y CA 0.007 57.866 58.100 -0.401 0.000 1.305 252 Y CB -0.180 37.967 38.460 -0.522 0.000 1.047 252 Y HN -0.206 nan 8.280 nan 0.000 0.522 253 F N -0.739 119.230 119.950 0.032 0.000 2.546 253 F HA 0.340 4.854 4.527 -0.022 0.000 0.320 253 F C 0.016 175.817 175.800 0.001 0.000 1.076 253 F CA -1.806 56.188 58.000 -0.009 0.000 0.928 253 F CB 0.861 39.918 39.000 0.095 0.000 1.189 253 F HN -0.261 nan 8.300 nan 0.000 0.465 254 D N 1.127 121.622 120.400 0.158 0.000 2.399 254 D HA 0.068 4.695 4.640 -0.021 0.000 0.241 254 D C 1.365 177.750 176.300 0.142 0.000 1.133 254 D CA 0.000 54.060 54.000 0.099 0.000 0.890 254 D CB 0.743 41.579 40.800 0.060 0.000 1.201 254 D HN 0.532 nan 8.370 nan 0.000 0.432 255 R N 1.752 122.299 120.500 0.078 0.000 2.096 255 R HA -0.206 4.121 4.340 -0.021 0.000 0.240 255 R C 1.183 177.517 176.300 0.057 0.000 1.139 255 R CA 1.954 58.090 56.100 0.060 0.000 0.952 255 R CB -0.111 30.207 30.300 0.030 0.000 0.854 255 R HN 0.579 nan 8.270 nan 0.000 0.436 256 D N -0.831 119.605 120.400 0.060 0.000 2.219 256 D HA -0.217 4.410 4.640 -0.021 0.000 0.205 256 D C 1.804 178.140 176.300 0.059 0.000 0.970 256 D CA 0.918 54.945 54.000 0.046 0.000 0.851 256 D CB -0.689 40.136 40.800 0.042 0.000 0.943 256 D HN 0.389 nan 8.370 nan 0.000 0.488 257 Y N 1.256 121.549 120.300 -0.011 0.000 2.220 257 Y HA 0.059 4.595 4.550 -0.024 0.000 0.291 257 Y C 2.294 178.169 175.900 -0.043 0.000 1.129 257 Y CA 0.995 59.078 58.100 -0.027 0.000 1.161 257 Y CB -0.333 38.123 38.460 -0.006 0.000 0.997 257 Y HN -0.124 nan 8.280 nan 0.000 0.522 258 L N 0.371 121.575 121.223 -0.031 0.000 2.131 258 L HA -0.237 4.090 4.340 -0.021 0.000 0.210 258 L C 2.557 179.343 176.870 -0.139 0.000 1.092 258 L CA 1.724 56.497 54.840 -0.112 0.000 0.759 258 L CB -0.504 41.561 42.059 0.010 0.000 0.903 258 L HN 0.180 nan 8.230 nan 0.000 0.435 259 K N 0.228 120.571 120.400 -0.094 0.000 2.025 259 K HA -0.254 4.053 4.320 -0.021 0.000 0.207 259 K C 2.198 178.730 176.600 -0.114 0.000 1.049 259 K CA 1.548 57.789 56.287 -0.077 0.000 0.933 259 K CB -0.044 32.433 32.500 -0.039 0.000 0.714 259 K HN 0.267 nan 8.250 nan 0.000 0.438 260 Q N 0.376 120.076 119.800 -0.166 0.000 2.084 260 Q HA -0.130 4.197 4.340 -0.021 0.000 0.202 260 Q C 1.880 177.748 176.000 -0.220 0.000 0.978 260 Q CA 1.576 57.273 55.803 -0.175 0.000 0.844 260 Q CB 0.127 28.743 28.738 -0.203 0.000 0.898 260 Q HN 0.199 nan 8.270 nan 0.000 0.426 261 V N 1.686 121.385 119.914 -0.360 0.000 2.358 261 V HA -0.211 3.896 4.120 -0.021 0.000 0.246 261 V C 1.535 177.529 176.094 -0.166 0.000 1.047 261 V CA 1.999 64.118 62.300 -0.302 0.000 1.035 261 V CB -0.452 31.128 31.823 -0.406 0.000 0.658 261 V HN 0.398 nan 8.190 nan 0.000 0.452 262 D N -0.152 120.163 120.400 -0.142 0.000 2.348 262 D HA -0.052 4.576 4.640 -0.021 0.000 0.216 262 D C 2.089 178.349 176.300 -0.067 0.000 0.970 262 D CA 0.955 54.903 54.000 -0.087 0.000 0.889 262 D CB 0.084 40.843 40.800 -0.068 0.000 0.912 262 D HN 0.385 nan 8.370 nan 0.000 0.524 263 S N 0.014 115.670 115.700 -0.073 0.000 2.575 263 S HA 0.162 4.619 4.470 -0.021 0.000 0.215 263 S C 1.030 175.605 174.600 -0.042 0.000 0.966 263 S CA -0.296 57.874 58.200 -0.049 0.000 0.911 263 S CB 0.601 63.775 63.200 -0.044 0.000 0.780 263 S HN 0.206 nan 8.310 nan 0.000 0.514 264 I N 2.853 123.392 120.570 -0.050 0.000 2.517 264 I HA 0.084 4.241 4.170 -0.021 0.000 0.285 264 I C 0.033 176.132 176.117 -0.031 0.000 1.106 264 I CA 0.460 61.737 61.300 -0.037 0.000 1.402 264 I CB 0.439 38.415 38.000 -0.041 0.000 1.399 264 I HN 0.091 nan 8.210 nan 0.000 0.535 265 E N 7.504 127.688 120.200 -0.025 0.000 2.186 265 E HA 0.350 4.688 4.350 -0.021 0.000 0.255 265 E C -2.274 174.313 176.600 -0.023 0.000 0.881 265 E CA -1.831 54.555 56.400 -0.023 0.000 0.752 265 E CB 1.087 30.775 29.700 -0.020 0.000 1.176 265 E HN 0.393 nan 8.360 nan 0.000 0.421 266 P HA -0.001 nan 4.420 nan 0.000 0.265 266 P C -0.814 176.472 177.300 -0.022 0.000 1.193 266 P CA 0.084 63.170 63.100 -0.024 0.000 0.765 266 P CB 0.603 32.290 31.700 -0.022 0.000 0.823 267 S N 2.273 117.958 115.700 -0.024 0.000 2.416 267 S HA 0.148 4.605 4.470 -0.021 0.000 0.287 267 S C 0.185 174.773 174.600 -0.019 0.000 1.139 267 S CA -0.471 57.716 58.200 -0.021 0.000 1.058 267 S CB 0.021 63.208 63.200 -0.022 0.000 0.967 267 S HN 0.383 nan 8.310 nan 0.000 0.495 268 E N 1.545 121.731 120.200 -0.023 0.000 2.392 268 E HA 0.575 4.913 4.350 -0.021 0.000 0.259 268 E C 0.640 177.212 176.600 -0.047 0.000 1.108 268 E CA 0.078 56.460 56.400 -0.030 0.000 0.916 268 E CB 0.671 30.345 29.700 -0.043 0.000 0.989 268 E HN 0.677 nan 8.360 nan 0.000 0.432 269 G N 0.451 109.211 108.800 -0.067 0.000 2.690 269 G HA2 0.646 4.593 3.960 -0.021 0.000 0.291 269 G HA3 0.646 4.593 3.960 -0.021 0.000 0.291 269 G C -1.232 173.548 174.900 -0.200 0.000 1.403 269 G CA -0.667 44.338 45.100 -0.159 0.000 0.864 269 G HN 0.376 nan 8.290 nan 0.000 0.480 270 I N 0.399 120.789 120.570 -0.301 0.000 2.498 270 I HA 0.413 4.570 4.170 -0.021 0.000 0.290 270 I C -0.421 175.437 176.117 -0.432 0.000 1.032 270 I CA -0.773 60.290 61.300 -0.395 0.000 1.073 270 I CB 2.586 40.332 38.000 -0.424 0.000 1.251 270 I HN 0.186 nan 8.210 nan 0.000 0.426 271 K N 5.302 125.412 120.400 -0.482 0.000 2.244 271 K HA 0.593 4.900 4.320 -0.021 0.000 0.260 271 K C -1.512 174.728 176.600 -0.601 0.000 0.951 271 K CA -0.481 55.619 56.287 -0.311 0.000 0.826 271 K CB 1.784 34.249 32.500 -0.059 0.000 1.108 271 K HN 0.284 nan 8.250 nan 0.000 0.433 272 F N 2.172 121.983 119.950 -0.232 0.000 2.426 272 F HA 0.320 4.834 4.527 -0.022 0.000 0.348 272 F C 0.301 176.026 175.800 -0.125 0.000 1.124 272 F CA -0.917 56.860 58.000 -0.372 0.000 1.008 272 F CB 1.258 39.883 39.000 -0.625 0.000 1.139 272 F HN 0.295 nan 8.300 nan 0.000 0.452 273 N N 4.599 123.377 118.700 0.130 0.000 2.457 273 N HA 0.353 5.080 4.740 -0.021 0.000 0.250 273 N C -1.423 174.178 175.510 0.153 0.000 0.982 273 N CA -0.435 52.662 53.050 0.077 0.000 0.941 273 N CB 2.333 40.807 38.487 -0.023 0.000 1.120 273 N HN 0.439 nan 8.380 nan 0.000 0.505 274 L N 1.984 123.230 121.223 0.037 0.000 2.333 274 L HA 0.580 4.908 4.340 -0.021 0.000 0.280 274 L C -0.435 176.299 176.870 -0.227 0.000 1.004 274 L CA -0.708 54.120 54.840 -0.020 0.000 0.820 274 L CB 1.455 43.515 42.059 0.001 0.000 1.247 274 L HN 0.536 nan 8.230 nan 0.000 0.416 275 A N 5.693 128.335 122.820 -0.296 0.000 2.478 275 A HA 0.569 4.876 4.320 -0.021 0.000 0.327 275 A C -0.507 177.057 177.584 -0.032 0.000 1.431 275 A CA -0.407 51.445 52.037 -0.308 0.000 1.014 275 A CB -0.080 18.558 19.000 -0.602 0.000 1.143 275 A HN 0.848 nan 8.150 nan 0.000 0.532 276 V N 1.176 121.121 119.914 0.053 0.000 2.406 276 V HA 0.546 4.653 4.120 -0.021 0.000 0.272 276 V C -2.855 173.420 176.094 0.302 0.000 1.043 276 V CA -2.468 59.888 62.300 0.095 0.000 0.915 276 V CB 0.924 32.661 31.823 -0.143 0.000 0.988 276 V HN 0.541 nan 8.190 nan 0.000 0.466 277 P HA 0.527 nan 4.420 nan 0.000 0.271 277 P C 0.686 177.982 177.300 -0.007 0.000 1.216 277 P CA 1.703 64.818 63.100 0.024 0.000 0.776 277 P CB 0.910 32.598 31.700 -0.020 0.000 0.881 278 G N 1.968 110.718 108.800 -0.082 0.000 2.416 278 G HA2 -0.105 3.842 3.960 -0.021 0.000 0.203 278 G HA3 -0.105 3.842 3.960 -0.021 0.000 0.203 278 G C -1.073 173.834 174.900 0.011 0.000 1.227 278 G CA -0.714 44.368 45.100 -0.029 0.000 1.041 278 G HN 0.425 nan 8.290 nan 0.000 0.546 279 E N 1.870 122.087 120.200 0.029 0.000 2.314 279 E HA 0.450 4.787 4.350 -0.021 0.000 0.262 279 E C -1.974 174.668 176.600 0.069 0.000 1.093 279 E CA -1.267 55.159 56.400 0.044 0.000 0.908 279 E CB 0.693 30.417 29.700 0.040 0.000 1.091 279 E HN 0.446 nan 8.360 nan 0.000 0.425 280 P HA -0.014 nan 4.420 nan 0.000 0.262 280 P C 0.256 177.624 177.300 0.113 0.000 1.182 280 P CA 0.126 63.281 63.100 0.092 0.000 0.761 280 P CB 0.686 32.436 31.700 0.083 0.000 0.795 281 R N 2.989 123.580 120.500 0.152 0.000 2.237 281 R HA 0.164 4.491 4.340 -0.021 0.000 0.195 281 R C 1.728 178.159 176.300 0.218 0.000 0.956 281 R CA 0.771 56.997 56.100 0.210 0.000 1.029 281 R CB -0.335 30.175 30.300 0.349 0.000 0.972 281 R HN 0.638 nan 8.270 nan 0.000 0.493 282 I N -5.115 115.579 120.570 0.206 0.000 4.774 282 I HA 0.404 4.561 4.170 -0.021 0.000 0.330 282 I C 0.701 176.887 176.117 0.115 0.000 1.287 282 I CA 0.219 61.626 61.300 0.179 0.000 1.311 282 I CB 0.634 38.783 38.000 0.249 0.000 1.315 282 I HN 0.069 nan 8.210 nan 0.000 0.459 283 G N 3.002 111.868 108.800 0.110 0.000 2.693 283 G HA2 -0.327 3.621 3.960 -0.021 0.000 0.226 283 G HA3 -0.327 3.621 3.960 -0.021 0.000 0.226 283 G C -0.456 174.487 174.900 0.071 0.000 1.354 283 G CA 0.130 45.280 45.100 0.083 0.000 0.873 283 G HN 0.540 nan 8.290 nan 0.000 0.562 284 N N 1.618 120.354 118.700 0.059 0.000 2.498 284 N HA 0.485 5.213 4.740 -0.021 0.000 0.277 284 N C -0.020 175.508 175.510 0.029 0.000 1.208 284 N CA 1.082 54.162 53.050 0.051 0.000 1.029 284 N CB -0.597 37.923 38.487 0.055 0.000 1.403 284 N HN 0.872 nan 8.380 nan 0.000 0.500 285 T N 1.423 115.977 114.554 0.001 0.000 2.700 285 T HA 0.386 4.723 4.350 -0.021 0.000 0.307 285 T C -0.512 174.102 174.700 -0.144 0.000 1.580 285 T CA -0.768 61.295 62.100 -0.060 0.000 0.992 285 T CB 0.599 69.431 68.868 -0.060 0.000 1.577 285 T HN 0.306 nan 8.240 nan 0.000 0.496 286 I N -1.443 118.953 120.570 -0.289 0.000 2.646 286 I HA 0.923 5.081 4.170 -0.021 0.000 0.299 286 I C -1.233 174.472 176.117 -0.687 0.000 1.036 286 I CA -1.315 59.666 61.300 -0.531 0.000 1.074 286 I CB 1.977 39.500 38.000 -0.794 0.000 1.258 286 I HN 0.320 nan 8.210 nan 0.000 0.430 287 V N 4.893 124.242 119.914 -0.941 0.000 2.407 287 V HA 0.396 4.503 4.120 -0.021 0.000 0.291 287 V C -0.425 175.103 176.094 -0.944 0.000 1.018 287 V CA -0.303 61.434 62.300 -0.938 0.000 0.842 287 V CB 1.165 32.252 31.823 -1.226 0.000 0.996 287 V HN 0.491 nan 8.190 nan 0.000 0.426 288 F N 2.685 122.341 119.950 -0.491 0.000 2.429 288 F HA 0.418 4.933 4.527 -0.020 0.000 0.348 288 F C 1.270 176.931 175.800 -0.231 0.000 1.109 288 F CA -0.162 57.627 58.000 -0.352 0.000 1.232 288 F CB 1.436 40.267 39.000 -0.282 0.000 1.157 288 F HN 0.526 nan 8.300 nan 0.000 0.564 289 T N 1.272 115.868 114.554 0.069 0.000 3.427 289 T HA 0.307 4.644 4.350 -0.021 0.000 0.306 289 T C -2.788 171.992 174.700 0.134 0.000 1.733 289 T CA -2.145 60.016 62.100 0.101 0.000 1.599 289 T CB -0.082 68.868 68.868 0.136 0.000 0.964 289 T HN 0.198 nan 8.240 nan 0.000 0.701 290 P HA 0.270 nan 4.420 nan 0.000 0.265 290 P C 1.153 178.602 177.300 0.248 0.000 1.193 290 P CA 1.046 64.224 63.100 0.129 0.000 0.765 290 P CB 0.671 32.359 31.700 -0.021 0.000 0.823 291 G N 1.921 110.834 108.800 0.189 0.000 2.258 291 G HA2 -0.193 3.754 3.960 -0.021 0.000 0.233 291 G HA3 -0.193 3.754 3.960 -0.021 0.000 0.233 291 G C 0.039 174.992 174.900 0.090 0.000 1.006 291 G CA -0.052 45.146 45.100 0.164 0.000 0.620 291 G HN 0.479 nan 8.290 nan 0.000 0.511 295 N N 1.617 120.461 118.700 0.241 0.000 2.414 295 N HA 0.431 5.158 4.740 -0.021 0.000 0.177 295 N C 0.594 176.217 175.510 0.188 0.000 1.062 295 N CA 0.443 53.652 53.050 0.266 0.000 0.890 295 N CB 1.191 39.914 38.487 0.393 0.000 1.070 295 N HN 0.803 nan 8.380 nan 0.000 0.454 296 G N 0.060 108.952 108.800 0.153 0.000 2.328 296 G HA2 0.416 4.363 3.960 -0.021 0.000 0.295 296 G HA3 0.416 4.363 3.960 -0.021 0.000 0.295 296 G C -2.079 172.848 174.900 0.045 0.000 1.413 296 G CA -0.961 44.048 45.100 -0.151 0.000 0.817 296 G HN 0.120 nan 8.290 nan 0.000 0.546 297 F N -0.504 119.351 119.950 -0.159 0.000 2.686 297 F HA 0.859 5.374 4.527 -0.020 0.000 0.311 297 F C -0.801 174.953 175.800 -0.077 0.000 1.128 297 F CA -1.251 56.736 58.000 -0.021 0.000 0.946 297 F CB 1.661 40.706 39.000 0.074 0.000 1.336 297 F HN 0.812 nan 8.300 nan 0.000 0.457 298 N N -0.031 118.828 118.700 0.264 0.000 3.038 298 N HA 0.424 5.151 4.740 -0.021 0.000 0.307 298 N C -1.840 173.811 175.510 0.236 0.000 1.441 298 N CA -0.764 52.375 53.050 0.149 0.000 0.772 298 N CB 2.184 40.720 38.487 0.081 0.000 1.651 298 N HN 0.943 nan 8.380 nan 0.000 0.593 299 E N 0.226 120.525 120.200 0.164 0.000 3.132 299 E HA 0.267 4.604 4.350 -0.021 0.000 0.241 299 E C -1.943 174.735 176.600 0.129 0.000 1.196 299 E CA -1.815 54.674 56.400 0.148 0.000 0.869 299 E CB 0.928 30.719 29.700 0.152 0.000 1.387 299 E HN 0.383 nan 8.360 nan 0.000 0.393 300 P HA -0.237 nan 4.420 nan 0.000 0.217 300 P C 1.184 178.557 177.300 0.122 0.000 1.148 300 P CA 1.347 64.541 63.100 0.158 0.000 0.834 300 P CB 0.156 32.009 31.700 0.255 0.000 0.783 301 S N -0.730 115.046 115.700 0.126 0.000 2.603 301 S HA 0.143 4.600 4.470 -0.021 0.000 0.229 301 S C 2.030 176.677 174.600 0.077 0.000 0.972 301 S CA 0.541 58.799 58.200 0.097 0.000 0.935 301 S CB -1.024 62.249 63.200 0.122 0.000 0.769 301 S HN 0.153 nan 8.310 nan 0.000 0.536 302 A N 0.733 123.603 122.820 0.083 0.000 2.172 302 A HA 0.256 4.563 4.320 -0.021 0.000 0.216 302 A C 1.949 179.568 177.584 0.059 0.000 1.154 302 A CA 1.139 53.220 52.037 0.073 0.000 0.701 302 A CB -0.383 18.665 19.000 0.080 0.000 0.789 302 A HN 0.576 nan 8.150 nan 0.000 0.465 303 L N -1.669 119.587 121.223 0.054 0.000 2.541 303 L HA 0.367 4.694 4.340 -0.021 0.000 0.187 303 L C -0.210 176.676 176.870 0.027 0.000 1.098 303 L CA 0.961 55.825 54.840 0.041 0.000 0.846 303 L CB 0.358 42.442 42.059 0.042 0.000 1.151 303 L HN 0.139 nan 8.230 nan 0.000 0.492 304 D N 0.352 120.763 120.400 0.018 0.000 2.454 304 D HA 0.128 4.755 4.640 -0.021 0.000 0.225 304 D C 0.657 176.960 176.300 0.005 0.000 1.081 304 D CA -0.051 53.948 54.000 -0.001 0.000 0.864 304 D CB 1.351 42.131 40.800 -0.032 0.000 1.040 304 D HN 0.170 nan 8.370 nan 0.000 0.517 305 K N 1.674 122.078 120.400 0.006 0.000 2.283 305 K HA -0.112 4.195 4.320 -0.021 0.000 0.202 305 K C 1.504 178.096 176.600 -0.015 0.000 1.048 305 K CA 0.963 57.254 56.287 0.007 0.000 0.948 305 K CB 0.215 32.718 32.500 0.004 0.000 0.742 305 K HN 0.393 nan 8.250 nan 0.000 0.458 306 S N 0.277 115.961 115.700 -0.026 0.000 2.507 306 S HA -0.093 4.365 4.470 -0.021 0.000 0.235 306 S C 1.690 176.261 174.600 -0.049 0.000 0.988 306 S CA 0.491 58.665 58.200 -0.043 0.000 0.944 306 S CB -0.138 63.037 63.200 -0.041 0.000 0.762 306 S HN 0.147 nan 8.310 nan 0.000 0.526 307 L N 1.248 122.454 121.223 -0.028 0.000 2.217 307 L HA 0.385 4.712 4.340 -0.021 0.000 0.211 307 L C 1.482 178.390 176.870 0.063 0.000 1.107 307 L CA 0.669 55.512 54.840 0.005 0.000 0.783 307 L CB -1.248 40.814 42.059 0.005 0.000 0.919 307 L HN 0.514 nan 8.230 nan 0.000 0.442 308 A N -0.953 121.869 122.820 0.002 0.000 2.269 308 A HA 0.534 4.841 4.320 -0.021 0.000 0.327 308 A C 0.296 177.581 177.584 -0.499 0.000 1.112 308 A CA -0.572 51.386 52.037 -0.131 0.000 0.865 308 A CB 0.603 19.661 19.000 0.097 0.000 1.227 308 A HN 0.121 nan 8.150 nan 0.000 0.498 309 R N 0.193 120.011 120.500 -1.136 0.000 2.531 309 R HA 0.235 4.563 4.340 -0.021 0.000 0.273 309 R C -0.158 176.021 176.300 -0.201 0.000 1.070 309 R CA -0.343 55.338 56.100 -0.699 0.000 1.112 309 R CB 0.540 30.310 30.300 -0.883 0.000 1.049 309 R HN 0.811 nan 8.270 nan 0.000 0.508 310 E N 1.529 121.666 120.200 -0.105 0.000 2.568 310 E HA -0.042 4.296 4.350 -0.021 0.000 0.262 310 E C 0.554 177.131 176.600 -0.039 0.000 0.961 310 E CA 1.762 58.132 56.400 -0.050 0.000 0.945 310 E CB 0.138 29.810 29.700 -0.046 0.000 0.924 310 E HN 0.762 nan 8.360 nan 0.000 0.467 311 G N 2.754 111.502 108.800 -0.086 0.000 2.166 311 G HA2 -0.301 3.647 3.960 -0.021 0.000 0.260 311 G HA3 -0.301 3.647 3.960 -0.021 0.000 0.260 311 G C -0.415 174.289 174.900 -0.327 0.000 0.986 311 G CA 0.770 45.749 45.100 -0.200 0.000 0.683 311 G HN 0.431 nan 8.290 nan 0.000 0.527 312 Y N -0.695 119.603 120.300 -0.002 0.000 2.576 312 Y HA 0.679 5.217 4.550 -0.021 0.000 0.346 312 Y C 0.551 176.510 175.900 0.098 0.000 1.018 312 Y CA -0.535 57.612 58.100 0.078 0.000 1.050 312 Y CB 2.121 40.693 38.460 0.186 0.000 1.280 312 Y HN 0.083 nan 8.280 nan 0.000 0.474 313 T N 3.092 117.862 114.554 0.360 0.000 2.856 313 T HA 0.461 4.799 4.350 -0.021 0.000 0.283 313 T C -1.574 173.294 174.700 0.279 0.000 1.008 313 T CA -0.575 61.666 62.100 0.235 0.000 0.997 313 T CB 1.334 70.276 68.868 0.122 0.000 0.992 313 T HN 0.356 nan 8.240 nan 0.000 0.454 314 L N 4.735 126.113 121.223 0.258 0.000 2.272 314 L HA 0.573 4.900 4.340 -0.021 0.000 0.289 314 L C -0.911 175.997 176.870 0.063 0.000 1.032 314 L CA -0.391 54.568 54.840 0.199 0.000 0.810 314 L CB -0.083 42.172 42.059 0.327 0.000 1.205 314 L HN 0.500 nan 8.230 nan 0.000 0.422 321 L N 2.562 123.758 121.223 -0.046 0.000 2.072 321 L HA 0.123 4.450 4.340 -0.021 0.000 0.205 321 L C 1.389 178.251 176.870 -0.012 0.000 1.079 321 L CA 2.764 57.584 54.840 -0.034 0.000 0.752 321 L CB -0.813 41.214 42.059 -0.055 0.000 0.906 321 L HN 0.975 nan 8.230 nan 0.000 0.436 322 K N -1.353 119.042 120.400 -0.008 0.000 1.844 322 K HA -0.305 4.002 4.320 -0.021 0.000 0.160 322 K C 0.524 177.120 176.600 -0.006 0.000 1.448 322 K CA 1.550 57.836 56.287 -0.001 0.000 0.446 322 K CB -1.439 31.067 32.500 0.010 0.000 0.635 322 K HN 0.258 nan 8.250 nan 0.000 0.848 323 N N 1.496 120.195 118.700 -0.002 0.000 2.276 323 N HA 0.123 4.850 4.740 -0.021 0.000 0.212 323 N C 0.273 175.780 175.510 -0.004 0.000 1.127 323 N CA 0.765 53.813 53.050 -0.004 0.000 0.834 323 N CB 0.481 38.967 38.487 -0.001 0.000 1.014 323 N HN 0.485 nan 8.380 nan 0.000 0.491 324 G N 0.597 109.395 108.800 -0.004 0.000 2.636 324 G HA2 -0.070 3.877 3.960 -0.021 0.000 0.246 324 G HA3 -0.070 3.877 3.960 -0.021 0.000 0.246 324 G C 0.208 175.104 174.900 -0.008 0.000 1.216 324 G CA -0.369 44.729 45.100 -0.002 0.000 0.854 324 G HN 0.180 nan 8.290 nan 0.000 0.572 325 N N 0.932 119.630 118.700 -0.003 0.000 2.419 325 N HA 0.057 4.784 4.740 -0.021 0.000 0.264 325 N C 1.635 177.140 175.510 -0.008 0.000 1.031 325 N CA -0.588 52.459 53.050 -0.005 0.000 0.951 325 N CB 1.599 40.087 38.487 0.001 0.000 1.101 325 N HN 0.086 nan 8.380 nan 0.000 0.488 326 V N 5.177 125.079 119.914 -0.021 0.000 2.231 326 V HA -0.304 3.803 4.120 -0.021 0.000 0.250 326 V C 2.584 178.671 176.094 -0.012 0.000 1.058 326 V CA 2.073 64.353 62.300 -0.034 0.000 1.022 326 V CB -0.605 31.186 31.823 -0.052 0.000 0.640 326 V HN 0.760 nan 8.190 nan 0.000 0.445 327 K N -0.001 120.399 120.400 0.000 0.000 2.032 327 K HA -0.246 4.061 4.320 -0.021 0.000 0.209 327 K C 2.252 178.878 176.600 0.043 0.000 1.048 327 K CA 1.908 58.209 56.287 0.024 0.000 0.927 327 K CB -0.161 32.350 32.500 0.020 0.000 0.712 327 K HN 0.450 nan 8.250 nan 0.000 0.441 328 K N -0.062 120.357 120.400 0.031 0.000 2.057 328 K HA -0.079 4.228 4.320 -0.021 0.000 0.206 328 K C 2.212 178.838 176.600 0.044 0.000 1.050 328 K CA 1.101 57.410 56.287 0.036 0.000 0.935 328 K CB -0.132 32.382 32.500 0.023 0.000 0.715 328 K HN 0.207 nan 8.250 nan 0.000 0.439 329 A N 1.692 124.533 122.820 0.036 0.000 1.877 329 A HA -0.156 4.152 4.320 -0.021 0.000 0.216 329 A C 2.145 179.791 177.584 0.104 0.000 1.186 329 A CA 1.309 53.375 52.037 0.047 0.000 0.620 329 A CB -0.632 18.384 19.000 0.026 0.000 0.822 329 A HN 0.164 nan 8.150 nan 0.000 0.443 330 I N -0.580 120.052 120.570 0.104 0.000 2.163 330 I HA -0.279 3.879 4.170 -0.021 0.000 0.243 330 I C 2.560 178.800 176.117 0.204 0.000 1.085 330 I CA 1.722 63.124 61.300 0.170 0.000 1.347 330 I CB -0.477 37.577 38.000 0.091 0.000 1.044 330 I HN 0.451 nan 8.210 nan 0.000 0.408 331 E N 0.599 120.912 120.200 0.189 0.000 2.077 331 E HA -0.290 4.047 4.350 -0.021 0.000 0.193 331 E C 2.073 178.743 176.600 0.118 0.000 0.989 331 E CA 1.255 57.777 56.400 0.203 0.000 0.800 331 E CB -0.012 29.765 29.700 0.129 0.000 0.746 331 E HN 0.160 nan 8.360 nan 0.000 0.452 332 K N 0.397 120.825 120.400 0.046 0.000 2.148 332 K HA -0.067 4.240 4.320 -0.021 0.000 0.204 332 K C 1.817 178.345 176.600 -0.120 0.000 1.050 332 K CA 1.278 57.558 56.287 -0.012 0.000 0.942 332 K CB -0.505 31.989 32.500 -0.010 0.000 0.724 332 K HN 0.161 nan 8.250 nan 0.000 0.446 333 G N -0.423 108.230 108.800 -0.246 0.000 2.404 333 G HA2 -0.224 3.723 3.960 -0.021 0.000 0.215 333 G HA3 -0.224 3.723 3.960 -0.021 0.000 0.215 333 G C 1.288 175.713 174.900 -0.792 0.000 1.174 333 G CA 0.723 45.307 45.100 -0.860 0.000 0.780 333 G HN 0.458 nan 8.290 nan 0.000 0.537 334 W N 0.785 121.896 121.300 -0.316 0.000 2.402 334 W HA 0.094 4.742 4.660 -0.020 0.000 0.286 334 W C 2.520 178.965 176.519 -0.123 0.000 1.221 334 W CA 0.627 57.875 57.345 -0.161 0.000 1.257 334 W CB 0.189 29.650 29.460 0.000 0.000 1.120 334 W HN 0.286 nan 8.180 nan 0.000 0.551 335 E N 1.366 121.629 120.200 0.106 0.000 2.051 335 E HA -0.247 4.090 4.350 -0.021 0.000 0.192 335 E C 1.635 178.234 176.600 -0.002 0.000 0.991 335 E CA 1.629 58.059 56.400 0.050 0.000 0.799 335 E CB -0.163 29.554 29.700 0.028 0.000 0.748 335 E HN 0.389 nan 8.360 nan 0.000 0.449 336 E N 0.432 120.594 120.200 -0.063 0.000 2.106 336 E HA -0.152 4.185 4.350 -0.021 0.000 0.192 336 E C 2.327 178.886 176.600 -0.069 0.000 0.984 336 E CA 0.856 57.210 56.400 -0.076 0.000 0.806 336 E CB -0.042 29.593 29.700 -0.109 0.000 0.750 336 E HN 0.341 nan 8.360 nan 0.000 0.458 337 L N 0.789 121.974 121.223 -0.064 0.000 2.156 337 L HA -0.113 4.214 4.340 -0.021 0.000 0.208 337 L C 2.513 179.445 176.870 0.104 0.000 1.095 337 L CA 0.467 55.325 54.840 0.030 0.000 0.770 337 L CB -0.204 41.897 42.059 0.070 0.000 0.914 337 L HN 0.205 nan 8.230 nan 0.000 0.439 338 L N -0.055 121.219 121.223 0.085 0.000 2.056 338 L HA -0.214 4.113 4.340 -0.021 0.000 0.207 338 L C 2.567 179.454 176.870 0.029 0.000 1.078 338 L CA 1.336 56.221 54.840 0.075 0.000 0.749 338 L CB -0.051 42.043 42.059 0.059 0.000 0.901 338 L HN 0.217 nan 8.230 nan 0.000 0.433 339 E N 0.521 120.716 120.200 -0.008 0.000 2.106 339 E HA -0.203 4.134 4.350 -0.021 0.000 0.192 339 E C 1.896 178.440 176.600 -0.093 0.000 0.984 339 E CA 1.722 58.098 56.400 -0.039 0.000 0.806 339 E CB -0.255 29.420 29.700 -0.042 0.000 0.750 339 E HN 0.648 nan 8.360 nan 0.000 0.458 340 I N -1.069 119.405 120.570 -0.160 0.000 2.400 340 I HA -0.048 4.109 4.170 -0.021 0.000 0.248 340 I C 0.114 175.891 176.117 -0.567 0.000 1.109 340 I CA 0.397 61.462 61.300 -0.390 0.000 1.425 340 I CB 0.138 37.806 38.000 -0.553 0.000 1.094 340 I HN -0.061 nan 8.210 nan 0.000 0.425 341 F N 0.954 120.862 119.950 -0.069 0.000 2.451 341 F HA 0.347 4.861 4.527 -0.022 0.000 0.367 341 F C -1.865 173.924 175.800 -0.018 0.000 1.100 341 F CA -2.265 55.706 58.000 -0.047 0.000 1.171 341 F CB 0.412 39.369 39.000 -0.072 0.000 1.405 341 F HN -0.239 nan 8.300 nan 0.000 0.482 342 P HA -0.175 nan 4.420 nan 0.000 0.216 342 P C 1.152 178.505 177.300 0.087 0.000 1.153 342 P CA 1.478 64.624 63.100 0.077 0.000 0.858 342 P CB 0.368 32.096 31.700 0.046 0.000 0.789 343 E N -0.715 119.553 120.200 0.113 0.000 2.489 343 E HA 0.117 4.454 4.350 -0.021 0.000 0.193 343 E C 1.215 177.874 176.600 0.099 0.000 1.057 343 E CA 0.168 56.626 56.400 0.096 0.000 0.866 343 E CB -0.638 29.120 29.700 0.096 0.000 0.916 343 E HN 0.149 nan 8.360 nan 0.000 0.500 344 G N 2.196 111.062 108.800 0.109 0.000 2.398 344 G HA2 0.163 4.111 3.960 -0.021 0.000 0.246 344 G HA3 0.163 4.111 3.960 -0.021 0.000 0.246 344 G C -0.232 174.669 174.900 0.002 0.000 1.289 344 G CA -0.400 44.730 45.100 0.050 0.000 0.869 344 G HN 0.039 nan 8.290 nan 0.000 0.543 345 E N 3.004 123.173 120.200 -0.053 0.000 2.145 345 E HA 0.285 4.622 4.350 -0.021 0.000 0.262 345 E C -2.804 173.649 176.600 -0.245 0.000 0.883 345 E CA -2.178 54.142 56.400 -0.133 0.000 0.748 345 E CB 2.030 31.673 29.700 -0.095 0.000 1.140 345 E HN 0.152 nan 8.360 nan 0.000 0.417 346 P HA -0.103 nan 4.420 nan 0.000 0.257 346 P C -0.078 176.968 177.300 -0.424 0.000 1.162 346 P CA 0.537 63.154 63.100 -0.805 0.000 0.762 346 P CB 0.542 31.266 31.700 -1.626 0.000 0.753 347 L N 2.913 124.032 121.223 -0.175 0.000 2.349 347 L HA 0.315 4.642 4.340 -0.021 0.000 0.200 347 L C 0.633 177.587 176.870 0.139 0.000 1.064 347 L CA 0.468 55.293 54.840 -0.025 0.000 0.821 347 L CB 0.088 42.076 42.059 -0.118 0.000 1.027 347 L HN 0.282 nan 8.230 nan 0.000 0.476 348 L N -0.829 120.492 121.223 0.163 0.000 2.700 348 L HA 0.601 4.928 4.340 -0.021 0.000 0.255 348 L C -1.709 175.247 176.870 0.143 0.000 0.933 348 L CA -0.295 54.585 54.840 0.067 0.000 0.920 348 L CB 1.545 43.389 42.059 -0.358 0.000 1.472 348 L HN -0.099 nan 8.230 nan 0.000 0.426 349 A N 3.729 126.585 122.820 0.060 0.000 2.303 349 A HA 0.828 5.135 4.320 -0.021 0.000 0.320 349 A C -0.978 176.373 177.584 -0.389 0.000 1.192 349 A CA -0.409 51.443 52.037 -0.310 0.000 0.821 349 A CB 1.019 19.820 19.000 -0.331 0.000 1.188 349 A HN 0.702 nan 8.150 nan 0.000 0.492 350 Q N 1.240 120.733 119.800 -0.511 0.000 2.322 350 Q HA 0.530 4.857 4.340 -0.021 0.000 0.265 350 Q C -1.074 174.491 176.000 -0.726 0.000 0.985 350 Q CA -0.665 54.778 55.803 -0.601 0.000 0.849 350 Q CB 2.579 30.954 28.738 -0.605 0.000 1.274 350 Q HN 0.531 nan 8.270 nan 0.000 0.449 351 V N 3.877 123.381 119.914 -0.684 0.000 2.407 351 V HA 0.374 4.481 4.120 -0.021 0.000 0.278 351 V C -0.847 174.887 176.094 -0.599 0.000 1.037 351 V CA -0.363 61.627 62.300 -0.516 0.000 0.900 351 V CB -0.011 31.621 31.823 -0.318 0.000 0.983 351 V HN 0.635 nan 8.190 nan 0.000 0.459 367 I N 4.979 125.329 120.570 -0.366 0.000 2.331 367 I HA 0.254 4.411 4.170 -0.021 0.000 0.292 367 I C 0.682 176.616 176.117 -0.305 0.000 0.998 367 I CA -0.693 60.497 61.300 -0.183 0.000 1.267 367 I CB 1.349 39.420 38.000 0.119 0.000 1.386 367 I HN 0.622 nan 8.210 nan 0.000 0.476 368 E N 6.367 126.465 120.200 -0.170 0.000 2.345 368 E HA 0.051 4.389 4.350 -0.021 0.000 0.259 368 E C -0.518 176.064 176.600 -0.031 0.000 1.117 368 E CA -0.754 55.618 56.400 -0.047 0.000 0.913 368 E CB 1.167 30.883 29.700 0.027 0.000 1.057 368 E HN 0.662 nan 8.360 nan 0.000 0.432 369 W N 3.810 125.024 121.300 -0.144 0.000 2.385 369 W HA -0.004 4.642 4.660 -0.024 0.000 0.336 369 W C -1.817 174.553 176.519 -0.248 0.000 1.351 369 W CA -1.387 55.836 57.345 -0.203 0.000 1.295 369 W CB 0.730 30.086 29.460 -0.173 0.000 1.239 369 W HN 0.604 nan 8.180 nan 0.000 0.565 370 P HA -0.014 nan 4.420 nan 0.000 0.230 370 P C 0.379 177.355 177.300 -0.541 0.000 1.168 370 P CA 0.868 63.574 63.100 -0.657 0.000 0.793 370 P CB 0.677 31.959 31.700 -0.696 0.000 0.851 371 L N 0.191 120.967 121.223 -0.745 0.000 2.399 371 L HA 0.306 4.633 4.340 -0.021 0.000 0.265 371 L C 1.449 178.351 176.870 0.053 0.000 1.089 371 L CA -0.614 54.065 54.840 -0.268 0.000 0.802 371 L CB 0.576 42.531 42.059 -0.173 0.000 1.180 371 L HN -0.196 nan 8.230 nan 0.000 0.454 372 N N -0.019 118.717 118.700 0.060 0.000 2.382 372 N HA -0.068 4.659 4.740 -0.021 0.000 0.200 372 N C 1.223 176.801 175.510 0.115 0.000 1.122 372 N CA 0.205 53.310 53.050 0.092 0.000 0.870 372 N CB 0.365 38.878 38.487 0.043 0.000 1.176 372 N HN 0.614 nan 8.380 nan 0.000 0.474 373 E N 0.891 121.165 120.200 0.124 0.000 2.285 373 E HA 0.024 4.361 4.350 -0.021 0.000 0.194 373 E C 0.032 176.742 176.600 0.183 0.000 0.997 373 E CA 0.515 57.018 56.400 0.171 0.000 0.845 373 E CB 0.271 30.091 29.700 0.200 0.000 0.782 373 E HN -0.081 nan 8.360 nan 0.000 0.491 374 V N 2.021 122.051 119.914 0.193 0.000 2.531 374 V HA 0.400 4.507 4.120 -0.021 0.000 0.301 374 V C -0.297 175.934 176.094 0.229 0.000 1.034 374 V CA -0.711 61.677 62.300 0.146 0.000 0.865 374 V CB 1.879 33.828 31.823 0.209 0.000 0.995 374 V HN 0.113 nan 8.190 nan 0.000 0.424 375 L N 4.171 125.359 121.223 -0.058 0.000 2.333 375 L HA 0.741 5.068 4.340 -0.021 0.000 0.263 375 L C -0.868 175.686 176.870 -0.526 0.000 1.014 375 L CA -1.092 53.571 54.840 -0.296 0.000 0.820 375 L CB 2.505 44.474 42.059 -0.149 0.000 1.352 375 L HN 0.314 nan 8.230 nan 0.000 0.421 376 V N 2.106 121.551 119.914 -0.782 0.000 2.459 376 V HA 0.592 4.699 4.120 -0.021 0.000 0.295 376 V C -0.148 175.779 176.094 -0.278 0.000 1.029 376 V CA -0.542 61.395 62.300 -0.604 0.000 0.874 376 V CB 2.017 33.344 31.823 -0.826 0.000 0.985 376 V HN 0.536 nan 8.190 nan 0.000 0.438 377 V N 1.796 121.613 119.914 -0.161 0.000 3.102 377 V HA 1.149 5.256 4.120 -0.021 0.000 0.312 377 V C 0.116 176.163 176.094 -0.078 0.000 1.135 377 V CA 0.085 62.358 62.300 -0.045 0.000 1.022 377 V CB 1.328 33.109 31.823 -0.069 0.000 1.056 377 V HN 1.744 nan 8.190 nan 0.000 0.436 378 G N 0.892 109.643 108.800 -0.082 0.000 2.447 378 G HA2 -0.123 3.824 3.960 -0.021 0.000 0.220 378 G HA3 -0.123 3.824 3.960 -0.021 0.000 0.220 378 G C -0.010 174.832 174.900 -0.096 0.000 1.261 378 G CA 0.198 45.232 45.100 -0.110 0.000 1.000 378 G HN 0.889 nan 8.290 nan 0.000 0.515 379 D N 0.430 120.768 120.400 -0.103 0.000 2.311 379 D HA -0.056 4.571 4.640 -0.021 0.000 0.212 379 D C 2.317 178.586 176.300 -0.052 0.000 0.972 379 D CA 1.730 55.674 54.000 -0.093 0.000 0.887 379 D CB -0.516 40.226 40.800 -0.097 0.000 0.915 379 D HN 0.724 nan 8.370 nan 0.000 0.497 380 G N -1.266 107.515 108.800 -0.032 0.000 2.920 380 G HA2 -0.160 3.788 3.960 -0.021 0.000 0.208 380 G HA3 -0.160 3.788 3.960 -0.021 0.000 0.208 380 G C 0.098 175.060 174.900 0.104 0.000 1.159 380 G CA 0.063 45.164 45.100 0.003 0.000 0.784 380 G HN 0.196 nan 8.290 nan 0.000 0.535 381 Y N 0.725 120.971 120.300 -0.090 0.000 2.517 381 Y HA 0.494 5.030 4.550 -0.024 0.000 0.346 381 Y C -0.660 175.193 175.900 -0.078 0.000 1.113 381 Y CA -1.887 56.172 58.100 -0.069 0.000 1.295 381 Y CB 0.136 38.540 38.460 -0.094 0.000 1.094 381 Y HN -0.075 nan 8.280 nan 0.000 0.608 382 R N 5.459 125.866 120.500 -0.155 0.000 2.320 382 R HA 0.438 4.765 4.340 -0.021 0.000 0.319 382 R C -2.609 173.547 176.300 -0.239 0.000 0.969 382 R CA -1.703 54.240 56.100 -0.260 0.000 0.857 382 R CB 1.354 31.557 30.300 -0.161 0.000 1.160 382 R HN 0.388 nan 8.270 nan 0.000 0.491 383 P HA 0.017 nan 4.420 nan 0.000 0.269 383 P C -2.447 174.794 177.300 -0.099 0.000 1.217 383 P CA -0.973 62.011 63.100 -0.192 0.000 0.783 383 P CB 0.104 31.674 31.700 -0.217 0.000 0.898 384 P HA 0.010 nan 4.420 nan 0.000 0.262 384 P C 0.999 178.274 177.300 -0.041 0.000 1.182 384 P CA 1.632 64.700 63.100 -0.052 0.000 0.761 384 P CB -0.014 31.660 31.700 -0.044 0.000 0.795 385 G N 2.256 111.038 108.800 -0.030 0.000 2.253 385 G HA2 -0.191 3.756 3.960 -0.021 0.000 0.251 385 G HA3 -0.191 3.756 3.960 -0.021 0.000 0.251 385 G C 0.645 175.581 174.900 0.059 0.000 0.998 385 G CA -0.143 44.957 45.100 -0.000 0.000 0.621 385 G HN 0.892 nan 8.290 nan 0.000 0.524 386 G N 0.519 109.335 108.800 0.027 0.000 2.372 386 G HA2 0.526 4.473 3.960 -0.021 0.000 0.286 386 G HA3 0.526 4.473 3.960 -0.021 0.000 0.286 386 G C 0.139 175.045 174.900 0.010 0.000 1.153 386 G CA -0.307 44.819 45.100 0.044 0.000 0.985 386 G HN 0.626 nan 8.290 nan 0.000 0.429 387 I N 2.430 123.046 120.570 0.077 0.000 2.371 387 I HA 0.141 4.298 4.170 -0.021 0.000 0.290 387 I C 1.187 177.230 176.117 -0.123 0.000 1.028 387 I CA -0.243 61.037 61.300 -0.032 0.000 1.345 387 I CB 1.121 39.124 38.000 0.004 0.000 1.407 387 I HN 0.828 nan 8.210 nan 0.000 0.501 388 E N 3.207 123.289 120.200 -0.197 0.000 3.484 388 E HA -0.362 3.975 4.350 -0.021 0.000 0.416 388 E C 1.267 177.742 176.600 -0.208 0.000 1.593 388 E CA 2.935 59.198 56.400 -0.228 0.000 1.570 388 E CB -0.379 29.139 29.700 -0.304 0.000 1.551 388 E HN 0.551 nan 8.360 nan 0.000 0.437 389 V N -1.569 118.211 119.914 -0.224 0.000 2.594 389 V HA -0.158 3.949 4.120 -0.021 0.000 0.253 389 V C 1.978 177.925 176.094 -0.246 0.000 1.069 389 V CA 2.413 64.543 62.300 -0.283 0.000 1.082 389 V CB -0.509 31.082 31.823 -0.386 0.000 0.680 389 V HN 0.420 nan 8.190 nan 0.000 0.469 390 D N 1.540 121.841 120.400 -0.165 0.000 2.178 390 D HA -0.049 4.578 4.640 -0.021 0.000 0.202 390 D C 2.224 178.429 176.300 -0.159 0.000 0.974 390 D CA 1.711 55.626 54.000 -0.141 0.000 0.841 390 D CB -0.228 40.586 40.800 0.022 0.000 0.953 390 D HN 0.597 nan 8.370 nan 0.000 0.478 391 G N 1.001 109.721 108.800 -0.133 0.000 2.408 391 G HA2 -0.183 3.764 3.960 -0.021 0.000 0.217 391 G HA3 -0.183 3.764 3.960 -0.021 0.000 0.217 391 G C 1.822 176.584 174.900 -0.230 0.000 1.150 391 G CA 0.124 45.131 45.100 -0.154 0.000 0.776 391 G HN 0.241 nan 8.290 nan 0.000 0.542 392 I N 1.289 121.717 120.570 -0.237 0.000 2.179 392 I HA -0.183 3.974 4.170 -0.021 0.000 0.242 392 I C 3.299 179.251 176.117 -0.275 0.000 1.088 392 I CA 1.010 62.159 61.300 -0.253 0.000 1.357 392 I CB -0.232 37.609 38.000 -0.265 0.000 1.051 392 I HN 0.250 nan 8.210 nan 0.000 0.409 393 A N 0.646 123.295 122.820 -0.286 0.000 1.933 393 A HA -0.227 4.080 4.320 -0.021 0.000 0.218 393 A C 2.248 179.627 177.584 -0.342 0.000 1.175 393 A CA 1.512 53.364 52.037 -0.308 0.000 0.628 393 A CB -0.791 18.026 19.000 -0.306 0.000 0.814 393 A HN 0.399 nan 8.150 nan 0.000 0.444 394 L N 0.102 121.136 121.223 -0.314 0.000 2.083 394 L HA -0.024 4.303 4.340 -0.021 0.000 0.209 394 L C 2.315 178.973 176.870 -0.354 0.000 1.083 394 L CA 2.230 56.890 54.840 -0.300 0.000 0.752 394 L CB -0.929 41.003 42.059 -0.211 0.000 0.899 394 L HN 0.287 nan 8.230 nan 0.000 0.433 395 G N -0.919 107.624 108.800 -0.429 0.000 2.408 395 G HA2 -0.056 3.891 3.960 -0.021 0.000 0.217 395 G HA3 -0.056 3.891 3.960 -0.021 0.000 0.217 395 G C 0.839 175.599 174.900 -0.234 0.000 1.150 395 G CA 0.628 45.372 45.100 -0.594 0.000 0.776 395 G HN 0.233 nan 8.290 nan 0.000 0.542 399 A N 2.352 125.255 122.820 0.138 0.000 1.877 399 A HA -0.042 4.265 4.320 -0.021 0.000 0.216 399 A C 2.221 179.835 177.584 0.050 0.000 1.186 399 A CA 1.591 53.684 52.037 0.093 0.000 0.620 399 A CB -0.771 18.260 19.000 0.051 0.000 0.822 399 A HN 0.174 nan 8.150 nan 0.000 0.443 400 L N -0.594 120.641 121.223 0.020 0.000 2.079 400 L HA -0.223 4.104 4.340 -0.021 0.000 0.210 400 L C 2.633 179.559 176.870 0.094 0.000 1.081 400 L CA 1.669 56.527 54.840 0.030 0.000 0.752 400 L CB -0.700 41.323 42.059 -0.060 0.000 0.896 400 L HN 0.487 nan 8.230 nan 0.000 0.433 401 E N 0.203 120.489 120.200 0.144 0.000 2.072 401 E HA -0.244 4.093 4.350 -0.021 0.000 0.191 401 E C 2.130 178.787 176.600 0.096 0.000 0.985 401 E CA 0.866 57.346 56.400 0.133 0.000 0.801 401 E CB -0.064 29.739 29.700 0.172 0.000 0.750 401 E HN 0.370 nan 8.360 nan 0.000 0.452 402 K N 1.136 121.592 120.400 0.094 0.000 2.152 402 K HA -0.117 4.190 4.320 -0.021 0.000 0.206 402 K C 1.887 178.525 176.600 0.064 0.000 1.048 402 K CA 0.790 57.124 56.287 0.078 0.000 0.933 402 K CB 0.025 32.573 32.500 0.079 0.000 0.721 402 K HN 0.101 nan 8.250 nan 0.000 0.447 403 L N 0.536 121.795 121.223 0.060 0.000 2.599 403 L HA 0.055 4.382 4.340 -0.021 0.000 0.230 403 L C -0.234 176.669 176.870 0.056 0.000 1.141 403 L CA 0.159 55.029 54.840 0.050 0.000 0.877 403 L CB -0.497 41.583 42.059 0.034 0.000 1.009 403 L HN 0.301 nan 8.230 nan 0.000 0.447 404 N N -0.202 118.535 118.700 0.063 0.000 2.740 404 N HA -0.219 4.508 4.740 -0.021 0.000 0.248 404 N C 0.374 175.929 175.510 0.076 0.000 1.062 404 N CA 0.224 53.312 53.050 0.063 0.000 0.704 404 N CB -1.034 37.486 38.487 0.055 0.000 0.968 404 N HN 0.311 nan 8.380 nan 0.000 0.547 405 L N -1.675 119.603 121.223 0.092 0.000 2.966 405 L HA 0.409 4.736 4.340 -0.021 0.000 0.262 405 L C 1.048 178.055 176.870 0.228 0.000 1.165 405 L CA 0.045 54.973 54.840 0.146 0.000 0.978 405 L CB 0.843 42.968 42.059 0.110 0.000 1.337 405 L HN 0.284 nan 8.230 nan 0.000 0.563 406 G N -0.884 107.983 108.800 0.112 0.000 2.742 406 G HA2 0.457 4.404 3.960 -0.021 0.000 0.296 406 G HA3 0.457 4.404 3.960 -0.021 0.000 0.296 406 G C -1.759 172.992 174.900 -0.248 0.000 1.436 406 G CA -0.216 44.871 45.100 -0.021 0.000 0.928 406 G HN -0.215 nan 8.290 nan 0.000 0.520 407 S N -0.140 115.218 115.700 -0.571 0.000 2.594 407 S HA 0.845 5.302 4.470 -0.021 0.000 0.296 407 S C -1.485 172.673 174.600 -0.737 0.000 1.124 407 S CA -0.610 57.334 58.200 -0.425 0.000 1.011 407 S CB 0.509 63.619 63.200 -0.149 0.000 1.016 407 S HN 0.416 nan 8.310 nan 0.000 0.485 408 F N 1.776 121.803 119.950 0.129 0.000 2.576 408 F HA 0.525 5.038 4.527 -0.023 0.000 0.313 408 F C 0.669 176.596 175.800 0.213 0.000 1.078 408 F CA -0.860 57.256 58.000 0.194 0.000 0.921 408 F CB 1.843 40.945 39.000 0.170 0.000 1.232 408 F HN 0.506 nan 8.300 nan 0.000 0.459 409 S N 0.870 116.840 115.700 0.451 0.000 2.560 409 S HA 0.012 4.470 4.470 -0.021 0.000 0.284 409 S C 0.979 175.752 174.600 0.288 0.000 1.327 409 S CA -0.274 58.110 58.200 0.307 0.000 1.055 409 S CB 0.467 63.820 63.200 0.255 0.000 0.868 409 S HN 0.761 nan 8.310 nan 0.000 0.506 410 E N 3.207 123.526 120.200 0.198 0.000 2.472 410 E HA -0.107 4.230 4.350 -0.021 0.000 0.200 410 E C 1.205 177.894 176.600 0.148 0.000 1.046 410 E CA 0.271 56.769 56.400 0.163 0.000 0.871 410 E CB -0.021 29.749 29.700 0.116 0.000 0.806 410 E HN 0.897 nan 8.360 nan 0.000 0.533 411 W N 0.255 121.496 121.300 -0.098 0.000 2.425 411 W HA -0.208 4.440 4.660 -0.020 0.000 0.277 411 W C 0.397 176.854 176.519 -0.103 0.000 1.231 411 W CA 1.045 58.262 57.345 -0.212 0.000 1.248 411 W CB 0.072 29.273 29.460 -0.432 0.000 1.117 411 W HN 0.140 nan 8.180 nan 0.000 0.568 412 Y N 0.106 120.534 120.300 0.214 0.000 2.507 412 Y HA 0.237 4.774 4.550 -0.021 0.000 0.263 412 Y C 1.445 177.433 175.900 0.145 0.000 1.093 412 Y CA 0.278 58.447 58.100 0.115 0.000 1.285 412 Y CB -0.646 37.782 38.460 -0.054 0.000 1.115 412 Y HN -0.344 nan 8.280 nan 0.000 0.533 413 L N 0.000 121.363 121.223 0.233 0.000 2.949 413 L HA 0.000 4.327 4.340 -0.021 0.000 0.249 413 L CA 0.000 54.926 54.840 0.144 0.000 0.813 413 L CB 0.000 42.142 42.059 0.139 0.000 0.961 413 L HN 0.000 nan 8.230 nan 0.000 0.502