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 3hwk_1_F DATA FIRST_RESID 27 DATA SEQUENCE DIKKGLAGVV VDTTAISKVV PQTNSLTYRG YPVQDLAARC SFEQVAFLLW DATA SEQUENCE RGELPTDAEL ALFSQRERAS RRVDRSMLSL LAKLPDNCHP MDVVRTAISY DATA SEQUENCE LGAEDPDEDD AAANRAKAMR MMAVLPTIVA IDMRRRRGLP PIAPHSGLGY DATA SEQUENCE AQNFLHMCFG EVPETAVVSA FEQSMILYAE HGFNASTFAA RVVTSTQSDI DATA SEQUENCE YSAVTGAIGA LKGRLHGGAN EAVMHDMIEI GDPANAREWL RAKLARKEKI DATA SEQUENCE MGFGHRVYRH GDSRVPTMKR ALERVGTVRD GQRWLDIYQV LAAEMASATG DATA SEQUENCE ILPNLDFPTG PAYYLMGFDI ASFTPIFVMS RITGWTAHIM EQATANALIR DATA SEQUENCE PLSAYCGHEQ RVLPG 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.303 176.300 0.004 0.000 2.045 27 D CA 0.000 54.002 54.000 0.004 0.000 0.868 27 D CB 0.000 40.802 40.800 0.003 0.000 0.688 28 I N 3.305 123.877 120.570 0.002 0.000 2.312 28 I HA 0.243 4.413 4.170 0.001 0.000 0.291 28 I C 0.664 176.779 176.117 -0.002 0.000 1.031 28 I CA -0.605 60.697 61.300 0.002 0.000 1.293 28 I CB 0.996 38.997 38.000 0.002 0.000 1.403 28 I HN -0.035 nan 8.210 nan 0.000 0.484 29 K N 6.556 126.955 120.400 -0.002 0.000 2.333 29 K HA 0.210 4.530 4.320 0.001 0.000 0.241 29 K C -0.075 176.517 176.600 -0.012 0.000 1.193 29 K CA -0.511 55.770 56.287 -0.009 0.000 1.142 29 K CB -0.036 32.458 32.500 -0.010 0.000 1.731 29 K HN 0.364 nan 8.250 nan 0.000 0.344 30 K N 0.314 120.707 120.400 -0.012 0.000 2.472 30 K HA -0.022 4.298 4.320 0.001 0.000 0.280 30 K C 0.983 177.569 176.600 -0.022 0.000 1.028 30 K CA 0.786 57.065 56.287 -0.013 0.000 1.045 30 K CB 0.391 32.884 32.500 -0.012 0.000 0.902 30 K HN 0.816 nan 8.250 nan 0.000 0.478 31 G N 3.422 112.209 108.800 -0.022 0.000 2.200 31 G HA2 -0.311 3.649 3.960 0.001 0.000 0.267 31 G HA3 -0.311 3.649 3.960 0.001 0.000 0.267 31 G C 0.528 175.388 174.900 -0.066 0.000 0.993 31 G CA 0.495 45.573 45.100 -0.037 0.000 0.701 31 G HN 0.778 nan 8.290 nan 0.000 0.524 32 L N -3.057 118.130 121.223 -0.060 0.000 4.001 32 L HA -0.236 4.104 4.340 0.001 0.000 0.413 32 L C 1.527 178.348 176.870 -0.083 0.000 1.185 32 L CA 0.356 55.147 54.840 -0.081 0.000 0.963 32 L CB -2.137 39.833 42.059 -0.148 0.000 1.976 32 L HN 1.413 nan 8.230 nan 0.000 0.939 33 A N 0.414 123.197 122.820 -0.062 0.000 2.548 33 A HA 0.405 4.726 4.320 0.001 0.000 0.247 33 A C 1.640 179.194 177.584 -0.049 0.000 1.067 33 A CA 1.014 53.018 52.037 -0.056 0.000 0.757 33 A CB 0.119 19.095 19.000 -0.040 0.000 0.996 33 A HN 1.427 nan 8.150 nan 0.000 0.504 34 G N 1.256 110.023 108.800 -0.054 0.000 2.168 34 G HA2 -0.188 3.773 3.960 0.001 0.000 0.263 34 G HA3 -0.188 3.773 3.960 0.001 0.000 0.263 34 G C 0.190 175.062 174.900 -0.046 0.000 0.977 34 G CA 0.293 45.365 45.100 -0.047 0.000 0.659 34 G HN 1.507 nan 8.290 nan 0.000 0.533 35 V N 1.341 121.222 119.914 -0.055 0.000 2.385 35 V HA 0.467 4.587 4.120 0.001 0.000 0.269 35 V C 0.891 176.960 176.094 -0.043 0.000 1.043 35 V CA -0.750 61.524 62.300 -0.043 0.000 0.906 35 V CB 1.704 33.502 31.823 -0.041 0.000 0.995 35 V HN 0.214 nan 8.190 nan 0.000 0.467 36 V N 5.984 125.882 119.914 -0.026 0.000 2.427 36 V HA 0.105 4.226 4.120 0.001 0.000 0.268 36 V C 0.853 176.967 176.094 0.034 0.000 1.046 36 V CA 0.475 62.766 62.300 -0.016 0.000 0.970 36 V CB 1.334 33.142 31.823 -0.024 0.000 1.001 36 V HN 0.739 nan 8.190 nan 0.000 0.476 37 V N 3.459 123.431 119.914 0.097 0.000 3.523 37 V HA 0.306 4.426 4.120 0.001 0.000 0.255 37 V C 0.296 176.533 176.094 0.238 0.000 1.226 37 V CA 1.048 63.446 62.300 0.163 0.000 1.092 37 V CB 0.570 32.496 31.823 0.171 0.000 0.817 37 V HN 0.997 nan 8.190 nan 0.000 0.458 38 D N -2.056 118.520 120.400 0.294 0.000 2.769 38 D HA 0.250 4.890 4.640 0.001 0.000 0.309 38 D C -1.058 175.361 176.300 0.198 0.000 1.315 38 D CA -0.124 54.057 54.000 0.302 0.000 0.780 38 D CB 1.917 42.983 40.800 0.443 0.000 1.312 38 D HN -0.021 nan 8.370 nan 0.000 0.437 39 T N 0.110 114.773 114.554 0.181 0.000 2.824 39 T HA 0.649 4.999 4.350 0.001 0.000 0.280 39 T C -0.868 173.917 174.700 0.141 0.000 0.995 39 T CA -0.078 62.079 62.100 0.095 0.000 1.009 39 T CB 1.019 69.926 68.868 0.065 0.000 0.955 39 T HN 0.276 nan 8.240 nan 0.000 0.452 40 T N 1.921 116.511 114.554 0.060 0.000 2.903 40 T HA 0.675 5.026 4.350 0.001 0.000 0.299 40 T C 0.365 175.075 174.700 0.017 0.000 1.093 40 T CA -0.074 62.074 62.100 0.080 0.000 1.002 40 T CB 1.268 70.220 68.868 0.140 0.000 1.127 40 T HN 0.583 nan 8.240 nan 0.000 0.488 41 A N 2.947 125.772 122.820 0.007 0.000 2.390 41 A HA 0.397 4.717 4.320 0.001 0.000 0.232 41 A C 1.689 179.266 177.584 -0.011 0.000 1.233 41 A CA -0.032 52.002 52.037 -0.005 0.000 0.907 41 A CB -0.342 18.657 19.000 -0.002 0.000 0.967 41 A HN 0.797 nan 8.150 nan 0.000 0.512 42 I N 0.068 120.618 120.570 -0.033 0.000 2.400 42 I HA -0.010 4.160 4.170 0.001 0.000 0.248 42 I C 1.194 177.329 176.117 0.031 0.000 1.109 42 I CA 1.248 62.517 61.300 -0.051 0.000 1.425 42 I CB 0.123 37.995 38.000 -0.212 0.000 1.094 42 I HN 0.428 nan 8.210 nan 0.000 0.425 43 S N 0.127 115.867 115.700 0.066 0.000 2.625 43 S HA 0.627 5.097 4.470 0.001 0.000 0.271 43 S C -0.841 173.797 174.600 0.064 0.000 1.161 43 S CA -0.838 57.442 58.200 0.134 0.000 0.820 43 S CB 2.818 66.159 63.200 0.235 0.000 1.137 43 S HN 0.198 nan 8.310 nan 0.000 0.470 44 K N 0.396 120.835 120.400 0.064 0.000 2.598 44 K HA 0.507 4.827 4.320 0.001 0.000 0.271 44 K C -2.228 174.382 176.600 0.016 0.000 0.947 44 K CA -0.884 55.404 56.287 0.001 0.000 0.854 44 K CB 1.863 34.355 32.500 -0.014 0.000 1.401 44 K HN 0.561 nan 8.250 nan 0.000 0.415 45 V N 3.275 123.180 119.914 -0.016 0.000 2.348 45 V HA 0.198 4.318 4.120 0.001 0.000 0.270 45 V C -0.189 175.916 176.094 0.017 0.000 1.037 45 V CA -0.760 61.554 62.300 0.023 0.000 0.872 45 V CB 1.302 33.134 31.823 0.015 0.000 1.002 45 V HN 0.522 nan 8.190 nan 0.000 0.464 46 V N 9.462 129.393 119.914 0.027 0.000 2.397 46 V HA 0.114 4.235 4.120 0.001 0.000 0.262 46 V C -1.172 174.941 176.094 0.031 0.000 1.047 46 V CA -0.816 61.495 62.300 0.017 0.000 1.003 46 V CB 0.975 32.804 31.823 0.010 0.000 1.037 46 V HN 0.774 nan 8.190 nan 0.000 0.480 47 P HA -0.126 nan 4.420 nan 0.000 0.217 47 P C 1.479 178.804 177.300 0.041 0.000 1.150 47 P CA 0.839 63.964 63.100 0.041 0.000 0.832 47 P CB 0.283 32.001 31.700 0.030 0.000 0.787 48 Q N -0.575 119.240 119.800 0.025 0.000 2.152 48 Q HA -0.118 4.223 4.340 0.001 0.000 0.206 48 Q C 1.525 177.537 176.000 0.020 0.000 0.985 48 Q CA 2.376 58.191 55.803 0.019 0.000 0.863 48 Q CB -1.092 27.652 28.738 0.010 0.000 0.904 48 Q HN 0.371 nan 8.270 nan 0.000 0.422 49 T N -4.301 110.267 114.554 0.023 0.000 3.145 49 T HA 0.203 4.554 4.350 0.001 0.000 0.281 49 T C 0.247 174.965 174.700 0.030 0.000 1.003 49 T CA -0.012 62.100 62.100 0.020 0.000 0.901 49 T CB -0.027 68.847 68.868 0.010 0.000 1.112 49 T HN 0.196 nan 8.240 nan 0.000 0.535 50 N N 1.586 120.317 118.700 0.052 0.000 2.685 50 N HA -0.184 4.557 4.740 0.001 0.000 0.251 50 N C -0.987 174.565 175.510 0.070 0.000 1.020 50 N CA 0.554 53.653 53.050 0.082 0.000 0.762 50 N CB -1.509 37.029 38.487 0.086 0.000 0.958 50 N HN 0.560 nan 8.380 nan 0.000 0.539 51 S N 0.391 116.122 115.700 0.052 0.000 2.438 51 S HA 0.396 4.866 4.470 0.001 0.000 0.293 51 S C -0.018 174.616 174.600 0.056 0.000 1.141 51 S CA -0.816 57.404 58.200 0.034 0.000 1.080 51 S CB 1.317 64.523 63.200 0.010 0.000 0.978 51 S HN 0.394 nan 8.310 nan 0.000 0.479 52 L N 4.891 126.158 121.223 0.072 0.000 2.416 52 L HA 0.442 4.783 4.340 0.001 0.000 0.272 52 L C 0.411 177.282 176.870 0.003 0.000 1.161 52 L CA 0.615 55.508 54.840 0.088 0.000 0.845 52 L CB 0.447 42.602 42.059 0.161 0.000 1.119 52 L HN 0.742 nan 8.230 nan 0.000 0.464 53 T N 1.544 116.125 114.554 0.045 0.000 2.887 53 T HA 0.570 4.920 4.350 0.001 0.000 0.288 53 T C -0.943 173.879 174.700 0.203 0.000 1.021 53 T CA -0.613 61.508 62.100 0.035 0.000 1.000 53 T CB 1.117 70.004 68.868 0.031 0.000 1.034 53 T HN 0.295 nan 8.240 nan 0.000 0.467 54 Y N 1.713 122.064 120.300 0.085 0.000 2.328 54 Y HA 0.531 5.082 4.550 0.001 0.000 0.337 54 Y C 0.961 176.910 175.900 0.081 0.000 0.966 54 Y CA -1.776 56.371 58.100 0.078 0.000 1.136 54 Y CB 1.158 39.661 38.460 0.072 0.000 1.170 54 Y HN 0.692 nan 8.280 nan 0.000 0.470 55 R N 1.736 122.346 120.500 0.184 0.000 3.484 55 R HA -0.255 4.085 4.340 0.001 0.000 0.260 55 R C 1.134 177.412 176.300 -0.038 0.000 1.053 55 R CA 1.033 57.182 56.100 0.081 0.000 0.703 55 R CB -1.995 28.373 30.300 0.115 0.000 1.089 55 R HN 1.251 nan 8.270 nan 0.000 0.459 56 G N -1.983 106.788 108.800 -0.049 0.000 2.284 56 G HA2 -0.360 3.600 3.960 0.001 0.000 0.230 56 G HA3 -0.360 3.600 3.960 0.001 0.000 0.230 56 G C -0.100 174.677 174.900 -0.205 0.000 1.021 56 G CA 0.212 45.202 45.100 -0.183 0.000 0.619 56 G HN 0.318 nan 8.290 nan 0.000 0.510 57 Y N 2.382 122.694 120.300 0.020 0.000 2.316 57 Y HA 0.509 5.059 4.550 0.001 0.000 0.331 57 Y C -1.887 173.976 175.900 -0.061 0.000 1.083 57 Y CA -2.245 55.847 58.100 -0.014 0.000 1.206 57 Y CB 0.974 39.428 38.460 -0.009 0.000 1.195 57 Y HN -0.006 nan 8.280 nan 0.000 0.497 58 P HA -0.011 nan 4.420 nan 0.000 0.267 58 P C 0.585 177.826 177.300 -0.099 0.000 1.205 58 P CA 0.163 63.253 63.100 -0.017 0.000 0.765 58 P CB 0.917 32.615 31.700 -0.002 0.000 0.828 59 V N 3.135 122.914 119.914 -0.224 0.000 2.427 59 V HA -0.249 3.872 4.120 0.001 0.000 0.248 59 V C 2.544 178.523 176.094 -0.191 0.000 1.051 59 V CA 1.738 63.826 62.300 -0.355 0.000 1.048 59 V CB -1.152 30.333 31.823 -0.563 0.000 0.666 59 V HN 0.603 nan 8.190 nan 0.000 0.456 60 Q N 0.167 119.890 119.800 -0.128 0.000 2.118 60 Q HA -0.296 4.045 4.340 0.001 0.000 0.211 60 Q C 1.874 177.827 176.000 -0.078 0.000 0.998 60 Q CA 2.571 58.319 55.803 -0.091 0.000 0.872 60 Q CB -0.105 28.594 28.738 -0.065 0.000 0.925 60 Q HN 0.667 nan 8.270 nan 0.000 0.414 61 D N -0.501 119.859 120.400 -0.067 0.000 2.183 61 D HA -0.059 4.581 4.640 0.001 0.000 0.205 61 D C 2.016 178.273 176.300 -0.072 0.000 0.962 61 D CA 0.627 54.594 54.000 -0.054 0.000 0.849 61 D CB -0.161 40.623 40.800 -0.028 0.000 0.978 61 D HN 0.295 nan 8.370 nan 0.000 0.488 62 L N 1.159 122.328 121.223 -0.090 0.000 2.013 62 L HA -0.219 4.121 4.340 0.001 0.000 0.212 62 L C 2.569 179.395 176.870 -0.074 0.000 1.073 62 L CA 1.489 56.271 54.840 -0.097 0.000 0.753 62 L CB -0.550 41.447 42.059 -0.104 0.000 0.890 62 L HN -0.010 nan 8.230 nan 0.000 0.432 63 A N -0.341 122.430 122.820 -0.081 0.000 1.972 63 A HA -0.092 4.229 4.320 0.001 0.000 0.219 63 A C 2.437 179.990 177.584 -0.052 0.000 1.169 63 A CA 1.710 53.709 52.037 -0.064 0.000 0.635 63 A CB -0.564 18.385 19.000 -0.085 0.000 0.810 63 A HN 0.428 nan 8.150 nan 0.000 0.446 64 A N -1.217 121.570 122.820 -0.055 0.000 2.021 64 A HA 0.124 4.444 4.320 0.001 0.000 0.216 64 A C 2.090 179.651 177.584 -0.039 0.000 1.163 64 A CA 1.004 53.014 52.037 -0.045 0.000 0.676 64 A CB -0.065 18.908 19.000 -0.045 0.000 0.818 64 A HN 0.475 nan 8.150 nan 0.000 0.453 65 R N -2.460 118.012 120.500 -0.048 0.000 2.487 65 R HA 0.260 4.600 4.340 0.001 0.000 0.272 65 R C -0.577 175.690 176.300 -0.056 0.000 0.928 65 R CA -0.039 56.031 56.100 -0.050 0.000 1.077 65 R CB 0.558 30.822 30.300 -0.060 0.000 1.265 65 R HN 0.446 nan 8.270 nan 0.000 0.537 66 C N 0.311 119.579 119.300 -0.053 0.000 2.630 66 C HA 0.589 5.050 4.460 0.001 0.000 0.346 66 C C 0.712 175.693 174.990 -0.014 0.000 1.245 66 C CA -0.778 58.206 59.018 -0.055 0.000 1.804 66 C CB 1.844 29.532 27.740 -0.087 0.000 2.279 66 C HN 0.419 nan 8.230 nan 0.000 0.498 67 S N -0.066 115.629 115.700 -0.007 0.000 2.722 67 S HA 0.501 4.971 4.470 0.001 0.000 0.292 67 S C 0.400 175.039 174.600 0.065 0.000 1.135 67 S CA -0.300 57.931 58.200 0.052 0.000 1.003 67 S CB 0.432 63.671 63.200 0.066 0.000 1.067 67 S HN 0.653 nan 8.310 nan 0.000 0.546 68 F N 1.467 121.381 119.950 -0.059 0.000 2.186 68 F HA 0.057 4.585 4.527 0.001 0.000 0.299 68 F C 2.019 177.729 175.800 -0.150 0.000 1.090 68 F CA 1.615 59.522 58.000 -0.156 0.000 1.307 68 F CB -0.683 38.141 39.000 -0.292 0.000 1.019 68 F HN 0.745 nan 8.300 nan 0.000 0.489 69 E N 0.068 120.239 120.200 -0.048 0.000 2.077 69 E HA -0.251 4.100 4.350 0.001 0.000 0.193 69 E C 2.200 178.645 176.600 -0.259 0.000 0.989 69 E CA 1.723 58.111 56.400 -0.020 0.000 0.800 69 E CB -0.368 29.463 29.700 0.219 0.000 0.746 69 E HN 0.528 nan 8.360 nan 0.000 0.452 70 Q N -0.044 119.631 119.800 -0.209 0.000 2.050 70 Q HA -0.147 4.194 4.340 0.001 0.000 0.202 70 Q C 2.301 178.148 176.000 -0.254 0.000 0.980 70 Q CA 1.546 57.194 55.803 -0.258 0.000 0.840 70 Q CB -0.089 28.536 28.738 -0.189 0.000 0.898 70 Q HN 0.161 nan 8.270 nan 0.000 0.424 71 V N 0.820 120.585 119.914 -0.249 0.000 2.343 71 V HA -0.295 3.826 4.120 0.001 0.000 0.247 71 V C 2.245 178.077 176.094 -0.437 0.000 1.051 71 V CA 1.778 63.938 62.300 -0.233 0.000 1.036 71 V CB -1.038 30.722 31.823 -0.105 0.000 0.654 71 V HN 0.428 nan 8.190 nan 0.000 0.451 72 A N -0.412 121.960 122.820 -0.747 0.000 1.883 72 A HA -0.286 4.034 4.320 0.001 0.000 0.217 72 A C 2.142 179.283 177.584 -0.739 0.000 1.186 72 A CA 2.259 53.715 52.037 -0.968 0.000 0.624 72 A CB -0.810 17.595 19.000 -0.990 0.000 0.822 72 A HN 0.542 nan 8.150 nan 0.000 0.444 73 F N 0.080 119.546 119.950 -0.807 0.000 2.069 73 F HA -0.199 4.329 4.527 0.001 0.000 0.298 73 F C 1.968 177.594 175.800 -0.291 0.000 1.113 73 F CA 1.960 59.559 58.000 -0.669 0.000 1.214 73 F CB -0.256 38.165 39.000 -0.965 0.000 0.978 73 F HN 0.239 nan 8.300 nan 0.000 0.474 74 L N 0.679 121.914 121.223 0.019 0.000 1.990 74 L HA -0.234 4.106 4.340 0.001 0.000 0.213 74 L C 2.145 178.983 176.870 -0.053 0.000 1.072 74 L CA 1.928 56.802 54.840 0.057 0.000 0.755 74 L CB -1.018 41.082 42.059 0.067 0.000 0.889 74 L HN 0.268 nan 8.230 nan 0.000 0.432 75 L N -1.916 119.193 121.223 -0.191 0.000 2.127 75 L HA -0.252 4.088 4.340 0.001 0.000 0.211 75 L C 2.335 179.146 176.870 -0.098 0.000 1.089 75 L CA 1.191 55.896 54.840 -0.226 0.000 0.757 75 L CB -0.621 41.171 42.059 -0.446 0.000 0.899 75 L HN 0.471 nan 8.230 nan 0.000 0.434 76 W N -0.348 120.848 121.300 -0.173 0.000 2.539 76 W HA 0.038 4.698 4.660 0.001 0.000 0.281 76 W C 2.609 178.991 176.519 -0.228 0.000 1.220 76 W CA 0.244 57.481 57.345 -0.181 0.000 1.332 76 W CB -0.312 29.054 29.460 -0.157 0.000 1.095 76 W HN 0.053 nan 8.180 nan 0.000 0.571 77 R N -0.813 119.604 120.500 -0.139 0.000 2.206 77 R HA 0.195 4.536 4.340 0.001 0.000 0.198 77 R C 1.721 177.983 176.300 -0.064 0.000 0.986 77 R CA 1.114 57.086 56.100 -0.213 0.000 1.029 77 R CB -0.467 29.483 30.300 -0.582 0.000 0.966 77 R HN 0.225 nan 8.270 nan 0.000 0.487 78 G N 0.876 109.669 108.800 -0.012 0.000 2.176 78 G HA2 -0.183 3.777 3.960 0.001 0.000 0.232 78 G HA3 -0.183 3.777 3.960 0.001 0.000 0.232 78 G C -0.091 174.875 174.900 0.111 0.000 0.986 78 G CA -0.021 45.106 45.100 0.045 0.000 0.643 78 G HN 0.254 nan 8.290 nan 0.000 0.522 79 E N -0.575 119.723 120.200 0.164 0.000 2.393 79 E HA 0.608 4.959 4.350 0.001 0.000 0.273 79 E C 0.145 176.930 176.600 0.308 0.000 0.918 79 E CA -0.885 55.662 56.400 0.245 0.000 0.773 79 E CB 1.510 31.336 29.700 0.210 0.000 1.275 79 E HN 0.216 nan 8.360 nan 0.000 0.451 80 L N 2.601 123.944 121.223 0.200 0.000 2.461 80 L HA 0.215 4.555 4.340 0.001 0.000 0.272 80 L C -1.877 174.947 176.870 -0.078 0.000 1.197 80 L CA -1.394 53.457 54.840 0.018 0.000 0.836 80 L CB 0.004 41.978 42.059 -0.141 0.000 1.105 80 L HN 0.163 nan 8.230 nan 0.000 0.477 81 P HA 0.145 nan 4.420 nan 0.000 0.278 81 P C -0.501 176.573 177.300 -0.376 0.000 1.238 81 P CA -0.551 62.057 63.100 -0.820 0.000 0.794 81 P CB 0.854 31.636 31.700 -1.530 0.000 0.955 82 T N -1.604 112.804 114.554 -0.244 0.000 2.766 82 T HA 0.020 4.370 4.350 0.001 0.000 0.295 82 T C 1.056 175.661 174.700 -0.159 0.000 1.024 82 T CA 0.071 62.086 62.100 -0.142 0.000 1.018 82 T CB 0.193 69.020 68.868 -0.068 0.000 1.002 82 T HN 0.363 nan 8.240 nan 0.000 0.532 83 D N 0.717 121.058 120.400 -0.099 0.000 2.116 83 D HA -0.133 4.508 4.640 0.001 0.000 0.193 83 D C 2.268 178.532 176.300 -0.060 0.000 0.998 83 D CA 1.855 55.808 54.000 -0.078 0.000 0.836 83 D CB -0.526 40.247 40.800 -0.046 0.000 0.951 83 D HN 0.712 nan 8.370 nan 0.000 0.449 84 A N 0.211 123.007 122.820 -0.040 0.000 1.877 84 A HA -0.191 4.129 4.320 0.001 0.000 0.216 84 A C 2.114 179.694 177.584 -0.006 0.000 1.186 84 A CA 1.727 53.758 52.037 -0.010 0.000 0.620 84 A CB -0.750 18.254 19.000 0.006 0.000 0.822 84 A HN 0.315 nan 8.150 nan 0.000 0.443 85 E N -0.836 119.338 120.200 -0.043 0.000 2.085 85 E HA -0.215 4.136 4.350 0.001 0.000 0.194 85 E C 1.919 178.471 176.600 -0.081 0.000 0.994 85 E CA 1.333 57.709 56.400 -0.039 0.000 0.801 85 E CB -0.247 29.369 29.700 -0.140 0.000 0.743 85 E HN 0.496 nan 8.360 nan 0.000 0.453 86 L N 0.634 121.733 121.223 -0.207 0.000 2.093 86 L HA -0.083 4.257 4.340 0.001 0.000 0.208 86 L C 2.121 179.024 176.870 0.054 0.000 1.085 86 L CA 1.843 56.596 54.840 -0.145 0.000 0.755 86 L CB -0.543 41.393 42.059 -0.204 0.000 0.904 86 L HN 0.044 nan 8.230 nan 0.000 0.435 87 A N -0.494 122.349 122.820 0.037 0.000 1.902 87 A HA -0.157 4.163 4.320 0.001 0.000 0.217 87 A C 2.229 179.877 177.584 0.108 0.000 1.181 87 A CA 1.982 54.060 52.037 0.068 0.000 0.623 87 A CB -0.801 18.223 19.000 0.041 0.000 0.818 87 A HN 0.497 nan 8.150 nan 0.000 0.443 88 L N -2.325 118.973 121.223 0.124 0.000 2.027 88 L HA -0.109 4.231 4.340 0.001 0.000 0.206 88 L C 2.506 179.498 176.870 0.203 0.000 1.074 88 L CA 1.566 56.493 54.840 0.145 0.000 0.745 88 L CB -0.686 41.459 42.059 0.143 0.000 0.898 88 L HN 0.484 nan 8.230 nan 0.000 0.433 89 F N 0.587 120.614 119.950 0.129 0.000 2.095 89 F HA -0.306 4.222 4.527 0.001 0.000 0.298 89 F C 2.900 178.791 175.800 0.152 0.000 1.104 89 F CA 1.931 60.045 58.000 0.190 0.000 1.232 89 F CB -0.196 38.973 39.000 0.281 0.000 0.987 89 F HN -0.007 nan 8.300 nan 0.000 0.475 90 S N -0.566 115.327 115.700 0.321 0.000 2.402 90 S HA -0.252 4.218 4.470 0.001 0.000 0.229 90 S C 2.105 176.771 174.600 0.110 0.000 1.021 90 S CA 1.380 59.709 58.200 0.215 0.000 0.974 90 S CB -0.587 62.741 63.200 0.214 0.000 0.800 90 S HN 0.713 nan 8.310 nan 0.000 0.484 91 Q N 0.376 120.234 119.800 0.097 0.000 2.046 91 Q HA -0.093 4.248 4.340 0.001 0.000 0.200 91 Q C 2.395 178.419 176.000 0.039 0.000 0.975 91 Q CA 1.210 57.053 55.803 0.068 0.000 0.836 91 Q CB -0.175 28.603 28.738 0.066 0.000 0.896 91 Q HN 0.497 nan 8.270 nan 0.000 0.428 92 R N 0.190 120.697 120.500 0.012 0.000 2.081 92 R HA -0.147 4.194 4.340 0.001 0.000 0.235 92 R C 2.418 178.689 176.300 -0.048 0.000 1.131 92 R CA 1.425 57.507 56.100 -0.029 0.000 0.960 92 R CB -0.240 30.020 30.300 -0.067 0.000 0.856 92 R HN 0.386 nan 8.270 nan 0.000 0.436 93 E N 1.241 121.387 120.200 -0.089 0.000 2.051 93 E HA -0.197 4.154 4.350 0.001 0.000 0.192 93 E C 1.847 178.488 176.600 0.069 0.000 0.991 93 E CA 1.373 57.757 56.400 -0.026 0.000 0.799 93 E CB 0.061 29.754 29.700 -0.011 0.000 0.748 93 E HN 0.279 nan 8.360 nan 0.000 0.449 94 R N -0.196 120.353 120.500 0.081 0.000 2.148 94 R HA -0.014 4.326 4.340 0.001 0.000 0.227 94 R C 2.129 178.471 176.300 0.069 0.000 1.103 94 R CA 0.934 57.090 56.100 0.093 0.000 0.983 94 R CB -0.158 30.200 30.300 0.098 0.000 0.874 94 R HN 0.088 nan 8.270 nan 0.000 0.451 95 A N 0.124 122.974 122.820 0.050 0.000 2.251 95 A HA 0.060 4.380 4.320 0.001 0.000 0.209 95 A C 1.235 178.843 177.584 0.041 0.000 1.187 95 A CA 0.489 52.550 52.037 0.040 0.000 0.823 95 A CB 0.313 19.331 19.000 0.031 0.000 0.846 95 A HN 0.112 nan 8.150 nan 0.000 0.486 96 S N -0.953 114.776 115.700 0.049 0.000 2.650 96 S HA 0.160 4.630 4.470 0.001 0.000 0.240 96 S C 1.337 175.981 174.600 0.074 0.000 1.007 96 S CA -0.416 57.816 58.200 0.055 0.000 0.984 96 S CB 0.164 63.392 63.200 0.047 0.000 0.910 96 S HN 0.594 nan 8.310 nan 0.000 0.509 97 R N 1.404 121.950 120.500 0.077 0.000 2.193 97 R HA 0.167 4.508 4.340 0.001 0.000 0.213 97 R C 0.504 176.847 176.300 0.072 0.000 1.055 97 R CA 0.481 56.632 56.100 0.085 0.000 0.995 97 R CB 0.103 30.456 30.300 0.088 0.000 0.893 97 R HN 0.243 nan 8.270 nan 0.000 0.459 98 R N 1.417 121.952 120.500 0.059 0.000 2.491 98 R HA 0.082 4.422 4.340 0.001 0.000 0.283 98 R C -0.029 176.301 176.300 0.050 0.000 1.072 98 R CA -0.215 55.914 56.100 0.048 0.000 1.048 98 R CB 0.866 31.189 30.300 0.037 0.000 0.983 98 R HN -0.045 nan 8.270 nan 0.000 0.450 99 V N -0.317 119.623 119.914 0.042 0.000 2.567 99 V HA 0.227 4.348 4.120 0.001 0.000 0.289 99 V C 0.146 176.258 176.094 0.030 0.000 1.049 99 V CA -1.106 61.218 62.300 0.039 0.000 0.969 99 V CB 1.295 33.135 31.823 0.027 0.000 0.995 99 V HN 0.542 nan 8.190 nan 0.000 0.471 100 D N 2.800 123.221 120.400 0.035 0.000 2.363 100 D HA 0.310 4.951 4.640 0.001 0.000 0.240 100 D C 1.639 177.947 176.300 0.015 0.000 1.236 100 D CA 0.518 54.537 54.000 0.030 0.000 0.927 100 D CB 0.663 41.492 40.800 0.047 0.000 1.150 100 D HN 0.760 nan 8.370 nan 0.000 0.458 101 R N 0.704 121.212 120.500 0.013 0.000 2.117 101 R HA -0.181 4.160 4.340 0.001 0.000 0.243 101 R C 2.277 178.573 176.300 -0.006 0.000 1.143 101 R CA 2.239 58.341 56.100 0.003 0.000 0.968 101 R CB -1.450 28.855 30.300 0.008 0.000 0.863 101 R HN 0.426 nan 8.270 nan 0.000 0.444 102 S N -0.315 115.393 115.700 0.013 0.000 2.359 102 S HA -0.224 4.247 4.470 0.001 0.000 0.223 102 S C 2.105 176.637 174.600 -0.113 0.000 1.039 102 S CA 2.172 60.377 58.200 0.009 0.000 1.042 102 S CB -0.284 62.992 63.200 0.126 0.000 0.915 102 S HN 0.647 nan 8.310 nan 0.000 0.439 103 M N 1.050 120.597 119.600 -0.089 0.000 2.132 103 M HA 0.133 4.614 4.480 0.001 0.000 0.263 103 M C 1.714 177.948 176.300 -0.110 0.000 1.065 103 M CA 1.444 56.660 55.300 -0.140 0.000 1.122 103 M CB -0.577 31.996 32.600 -0.045 0.000 1.365 103 M HN 0.340 nan 8.290 nan 0.000 0.411 104 L N -0.943 120.243 121.223 -0.062 0.000 2.131 104 L HA -0.180 4.160 4.340 0.001 0.000 0.210 104 L C 2.608 179.441 176.870 -0.062 0.000 1.092 104 L CA 1.466 56.276 54.840 -0.050 0.000 0.759 104 L CB -0.902 41.139 42.059 -0.029 0.000 0.903 104 L HN 0.483 nan 8.230 nan 0.000 0.435 105 S N 0.159 115.815 115.700 -0.073 0.000 2.357 105 S HA -0.169 4.302 4.470 0.001 0.000 0.221 105 S C 1.996 176.536 174.600 -0.100 0.000 1.031 105 S CA 0.958 59.116 58.200 -0.070 0.000 0.982 105 S CB -0.248 62.920 63.200 -0.053 0.000 0.853 105 S HN 0.275 nan 8.310 nan 0.000 0.458 106 L N 1.883 123.000 121.223 -0.176 0.000 2.013 106 L HA -0.038 4.303 4.340 0.001 0.000 0.212 106 L C 2.216 179.011 176.870 -0.125 0.000 1.073 106 L CA 1.926 56.640 54.840 -0.210 0.000 0.753 106 L CB -0.732 41.072 42.059 -0.424 0.000 0.890 106 L HN 0.447 nan 8.230 nan 0.000 0.432 107 L N -0.966 120.193 121.223 -0.106 0.000 2.141 107 L HA -0.117 4.223 4.340 0.001 0.000 0.209 107 L C 2.590 179.432 176.870 -0.047 0.000 1.094 107 L CA 0.949 55.750 54.840 -0.064 0.000 0.763 107 L CB -0.916 41.113 42.059 -0.050 0.000 0.908 107 L HN 0.384 nan 8.230 nan 0.000 0.437 108 A N -0.129 122.662 122.820 -0.049 0.000 2.014 108 A HA -0.178 4.142 4.320 0.001 0.000 0.218 108 A C 2.351 179.917 177.584 -0.031 0.000 1.163 108 A CA 1.409 53.425 52.037 -0.035 0.000 0.652 108 A CB -0.198 18.783 19.000 -0.032 0.000 0.808 108 A HN 0.254 nan 8.150 nan 0.000 0.449 109 K N -0.879 119.498 120.400 -0.039 0.000 2.186 109 K HA 0.223 4.543 4.320 0.001 0.000 0.202 109 K C 0.185 176.772 176.600 -0.021 0.000 1.052 109 K CA -0.092 56.178 56.287 -0.029 0.000 0.965 109 K CB -0.190 32.289 32.500 -0.035 0.000 0.746 109 K HN 0.434 nan 8.250 nan 0.000 0.457 110 L N 2.903 124.111 121.223 -0.026 0.000 2.483 110 L HA 0.069 4.409 4.340 0.001 0.000 0.275 110 L C -1.963 174.903 176.870 -0.006 0.000 1.220 110 L CA -1.723 53.109 54.840 -0.013 0.000 0.833 110 L CB -0.010 42.041 42.059 -0.013 0.000 1.102 110 L HN 0.129 nan 8.230 nan 0.000 0.490 111 P HA 0.001 nan 4.420 nan 0.000 0.268 111 P C -0.632 176.669 177.300 0.002 0.000 1.205 111 P CA -0.280 62.822 63.100 0.004 0.000 0.771 111 P CB 0.524 32.231 31.700 0.011 0.000 0.858 112 D N 0.896 121.295 120.400 -0.001 0.000 2.328 112 D HA -0.084 4.557 4.640 0.001 0.000 0.226 112 D C 0.431 176.730 176.300 -0.002 0.000 1.066 112 D CA 0.261 54.258 54.000 -0.004 0.000 0.861 112 D CB -0.759 40.036 40.800 -0.007 0.000 0.912 112 D HN 0.268 nan 8.370 nan 0.000 0.521 113 N N 0.131 118.834 118.700 0.006 0.000 2.170 113 N HA 0.038 4.778 4.740 0.001 0.000 0.222 113 N C 0.505 176.029 175.510 0.023 0.000 1.218 113 N CA -0.358 52.698 53.050 0.011 0.000 0.889 113 N CB -0.908 37.587 38.487 0.013 0.000 1.083 113 N HN 0.347 nan 8.380 nan 0.000 0.520 114 C N -0.571 118.746 119.300 0.028 0.000 2.560 114 C HA 0.395 4.855 4.460 0.001 0.000 0.334 114 C C 0.963 175.994 174.990 0.068 0.000 1.404 114 C CA -1.094 57.958 59.018 0.057 0.000 2.410 114 C CB -0.015 27.760 27.740 0.057 0.000 2.268 114 C HN 0.447 nan 8.230 nan 0.000 0.673 115 H N 1.503 120.591 119.070 0.031 0.000 2.683 115 H HA 0.202 4.758 4.556 0.001 0.000 0.339 115 H C -1.719 173.634 175.328 0.041 0.000 1.081 115 H CA -1.068 55.004 56.048 0.040 0.000 1.432 115 H CB 1.357 31.146 29.762 0.044 0.000 1.462 115 H HN 0.423 nan 8.280 nan 0.000 0.557 116 P HA -0.160 nan 4.420 nan 0.000 0.221 116 P C 1.665 179.037 177.300 0.121 0.000 1.145 116 P CA 0.982 64.050 63.100 -0.054 0.000 0.795 116 P CB 0.223 31.844 31.700 -0.132 0.000 0.775 117 M N -0.944 118.879 119.600 0.373 0.000 2.296 117 M HA -0.109 4.371 4.480 0.001 0.000 0.265 117 M C 1.018 177.420 176.300 0.170 0.000 1.064 117 M CA 1.537 57.005 55.300 0.280 0.000 1.109 117 M CB -1.301 31.459 32.600 0.267 0.000 1.396 117 M HN -0.028 nan 8.290 nan 0.000 0.430 118 D N 0.029 120.533 120.400 0.172 0.000 2.144 118 D HA -0.081 4.559 4.640 0.001 0.000 0.200 118 D C 2.231 178.580 176.300 0.082 0.000 0.978 118 D CA 0.912 54.975 54.000 0.105 0.000 0.833 118 D CB -0.253 40.606 40.800 0.099 0.000 0.961 118 D HN 0.156 nan 8.370 nan 0.000 0.470 119 V N 0.546 120.506 119.914 0.078 0.000 2.307 119 V HA -0.181 3.939 4.120 0.001 0.000 0.245 119 V C 2.615 178.748 176.094 0.065 0.000 1.045 119 V CA 0.966 63.298 62.300 0.053 0.000 1.024 119 V CB -0.434 31.411 31.823 0.036 0.000 0.651 119 V HN 0.063 nan 8.190 nan 0.000 0.449 120 V N -0.067 119.897 119.914 0.083 0.000 2.295 120 V HA -0.266 3.854 4.120 0.001 0.000 0.246 120 V C 2.616 178.773 176.094 0.104 0.000 1.049 120 V CA 2.407 64.765 62.300 0.096 0.000 1.024 120 V CB -0.724 31.163 31.823 0.106 0.000 0.648 120 V HN 0.496 nan 8.190 nan 0.000 0.447 121 R N -0.208 120.348 120.500 0.094 0.000 2.096 121 R HA -0.213 4.128 4.340 0.001 0.000 0.240 121 R C 2.271 178.622 176.300 0.084 0.000 1.139 121 R CA 2.407 58.554 56.100 0.079 0.000 0.952 121 R CB -0.519 29.815 30.300 0.057 0.000 0.854 121 R HN 0.566 nan 8.270 nan 0.000 0.436 122 T N 0.324 114.926 114.554 0.080 0.000 2.812 122 T HA -0.017 4.333 4.350 0.001 0.000 0.264 122 T C 1.819 176.590 174.700 0.118 0.000 1.042 122 T CA 1.104 63.258 62.100 0.089 0.000 1.140 122 T CB -0.229 68.678 68.868 0.065 0.000 0.870 122 T HN 0.451 nan 8.240 nan 0.000 0.445 123 A N 1.857 124.734 122.820 0.096 0.000 1.877 123 A HA -0.037 4.283 4.320 0.001 0.000 0.216 123 A C 2.245 179.932 177.584 0.172 0.000 1.186 123 A CA 1.071 53.172 52.037 0.106 0.000 0.620 123 A CB -0.697 18.345 19.000 0.071 0.000 0.822 123 A HN 0.362 nan 8.150 nan 0.000 0.443 124 I N -0.044 120.630 120.570 0.173 0.000 2.208 124 I HA -0.184 3.986 4.170 0.001 0.000 0.245 124 I C 2.758 179.009 176.117 0.224 0.000 1.097 124 I CA 1.959 63.399 61.300 0.232 0.000 1.363 124 I CB -1.339 36.790 38.000 0.214 0.000 1.051 124 I HN 0.421 nan 8.210 nan 0.000 0.413 125 S N -0.225 115.568 115.700 0.155 0.000 2.382 125 S HA -0.245 4.225 4.470 0.001 0.000 0.228 125 S C 2.219 176.850 174.600 0.051 0.000 1.027 125 S CA 1.176 59.432 58.200 0.094 0.000 0.991 125 S CB -0.442 62.803 63.200 0.074 0.000 0.823 125 S HN 0.448 nan 8.310 nan 0.000 0.469 126 Y N 1.562 121.855 120.300 -0.012 0.000 2.163 126 Y HA 0.005 4.555 4.550 0.001 0.000 0.288 126 Y C 2.048 177.898 175.900 -0.084 0.000 1.136 126 Y CA 1.707 59.785 58.100 -0.038 0.000 1.147 126 Y CB -0.235 38.220 38.460 -0.009 0.000 0.987 126 Y HN 0.221 nan 8.280 nan 0.000 0.509 127 L N -0.802 120.507 121.223 0.144 0.000 2.079 127 L HA -0.219 4.121 4.340 0.001 0.000 0.210 127 L C 2.655 179.271 176.870 -0.423 0.000 1.081 127 L CA 1.274 56.120 54.840 0.011 0.000 0.752 127 L CB -1.190 40.979 42.059 0.183 0.000 0.896 127 L HN 0.419 nan 8.230 nan 0.000 0.433 128 G N -0.375 107.996 108.800 -0.714 0.000 2.446 128 G HA2 -0.300 3.660 3.960 0.001 0.000 0.217 128 G HA3 -0.300 3.660 3.960 0.001 0.000 0.217 128 G C 1.752 176.278 174.900 -0.624 0.000 1.168 128 G CA 0.830 45.162 45.100 -1.279 0.000 0.771 128 G HN 0.482 nan 8.290 nan 0.000 0.551 129 A N 0.524 123.107 122.820 -0.396 0.000 1.978 129 A HA -0.044 4.276 4.320 0.001 0.000 0.220 129 A C 2.135 179.537 177.584 -0.303 0.000 1.170 129 A CA 1.902 53.744 52.037 -0.324 0.000 0.636 129 A CB -0.305 18.476 19.000 -0.364 0.000 0.810 129 A HN 0.487 nan 8.150 nan 0.000 0.448 130 E N -0.528 119.488 120.200 -0.306 0.000 2.442 130 E HA -0.042 4.309 4.350 0.001 0.000 0.195 130 E C -0.230 176.280 176.600 -0.150 0.000 1.030 130 E CA -0.081 56.202 56.400 -0.196 0.000 0.869 130 E CB 0.142 29.776 29.700 -0.111 0.000 0.857 130 E HN 0.465 nan 8.360 nan 0.000 0.505 131 D N 0.932 121.201 120.400 -0.217 0.000 2.316 131 D HA 0.040 4.681 4.640 0.001 0.000 0.245 131 D C -1.812 174.434 176.300 -0.090 0.000 1.171 131 D CA -2.222 51.699 54.000 -0.130 0.000 0.856 131 D CB 1.480 42.188 40.800 -0.154 0.000 1.090 131 D HN -0.123 nan 8.370 nan 0.000 0.476 132 P HA -0.008 nan 4.420 nan 0.000 0.223 132 P C 0.318 177.607 177.300 -0.018 0.000 1.151 132 P CA 0.593 63.671 63.100 -0.036 0.000 0.787 132 P CB 0.448 32.134 31.700 -0.024 0.000 0.788 133 D N -0.706 119.697 120.400 0.006 0.000 2.325 133 D HA -0.034 4.607 4.640 0.001 0.000 0.225 133 D C 1.640 177.973 176.300 0.054 0.000 1.096 133 D CA 0.147 54.161 54.000 0.025 0.000 0.844 133 D CB -0.103 40.715 40.800 0.031 0.000 0.925 133 D HN 0.327 nan 8.370 nan 0.000 0.513 134 E N 1.007 121.234 120.200 0.045 0.000 2.070 134 E HA -0.191 4.160 4.350 0.001 0.000 0.197 134 E C 0.490 177.141 176.600 0.086 0.000 1.004 134 E CA 1.083 57.542 56.400 0.099 0.000 0.805 134 E CB 0.258 29.933 29.700 -0.042 0.000 0.744 134 E HN 0.159 nan 8.360 nan 0.000 0.451 135 D N 0.497 120.914 120.400 0.028 0.000 2.328 135 D HA -0.024 4.616 4.640 0.001 0.000 0.221 135 D C -0.338 175.967 176.300 0.007 0.000 1.072 135 D CA 0.206 54.214 54.000 0.014 0.000 0.850 135 D CB 0.076 40.873 40.800 -0.005 0.000 0.922 135 D HN 0.057 nan 8.370 nan 0.000 0.516 136 D N 0.534 120.941 120.400 0.011 0.000 2.428 136 D HA 0.266 4.907 4.640 0.001 0.000 0.221 136 D C 1.059 177.355 176.300 -0.006 0.000 1.123 136 D CA -0.465 53.535 54.000 -0.000 0.000 0.869 136 D CB 1.225 42.024 40.800 -0.001 0.000 1.032 136 D HN -0.082 nan 8.370 nan 0.000 0.506 137 A N 3.641 126.453 122.820 -0.013 0.000 2.019 137 A HA -0.036 4.285 4.320 0.001 0.000 0.219 137 A C 2.009 179.573 177.584 -0.033 0.000 1.164 137 A CA 1.521 53.544 52.037 -0.023 0.000 0.644 137 A CB -0.304 18.682 19.000 -0.023 0.000 0.805 137 A HN 0.597 nan 8.150 nan 0.000 0.449 138 A N -0.759 122.044 122.820 -0.028 0.000 2.172 138 A HA 0.350 4.671 4.320 0.001 0.000 0.216 138 A C 1.910 179.469 177.584 -0.041 0.000 1.154 138 A CA 1.342 53.359 52.037 -0.032 0.000 0.701 138 A CB -0.482 18.504 19.000 -0.023 0.000 0.789 138 A HN 1.020 nan 8.150 nan 0.000 0.465 139 A N -0.645 122.152 122.820 -0.039 0.000 2.423 139 A HA 0.187 4.508 4.320 0.001 0.000 0.246 139 A C 1.362 178.898 177.584 -0.079 0.000 1.278 139 A CA 0.192 52.200 52.037 -0.047 0.000 0.903 139 A CB -0.385 18.602 19.000 -0.021 0.000 0.997 139 A HN 0.395 nan 8.150 nan 0.000 0.510 140 N N 1.235 119.877 118.700 -0.096 0.000 2.094 140 N HA -0.189 4.552 4.740 0.001 0.000 0.191 140 N C 1.745 177.111 175.510 -0.241 0.000 1.023 140 N CA 1.468 54.431 53.050 -0.146 0.000 0.857 140 N CB -0.296 38.114 38.487 -0.128 0.000 1.013 140 N HN 0.567 nan 8.380 nan 0.000 0.426 141 R N 0.243 120.593 120.500 -0.251 0.000 2.091 141 R HA -0.030 4.310 4.340 0.001 0.000 0.238 141 R C 2.117 178.197 176.300 -0.367 0.000 1.136 141 R CA 1.412 57.287 56.100 -0.375 0.000 0.959 141 R CB -0.294 29.846 30.300 -0.266 0.000 0.856 141 R HN 0.222 nan 8.270 nan 0.000 0.437 142 A N 1.143 123.833 122.820 -0.216 0.000 1.929 142 A HA -0.141 4.179 4.320 0.001 0.000 0.216 142 A C 1.864 179.359 177.584 -0.148 0.000 1.176 142 A CA 1.184 53.128 52.037 -0.155 0.000 0.628 142 A CB -0.149 18.803 19.000 -0.081 0.000 0.816 142 A HN 0.186 nan 8.150 nan 0.000 0.444 143 K N -0.204 120.105 120.400 -0.152 0.000 2.057 143 K HA -0.011 4.309 4.320 0.001 0.000 0.206 143 K C 2.306 178.768 176.600 -0.230 0.000 1.050 143 K CA 1.059 57.256 56.287 -0.150 0.000 0.935 143 K CB -0.296 32.105 32.500 -0.164 0.000 0.715 143 K HN 0.418 nan 8.250 nan 0.000 0.439 144 A N 1.307 123.933 122.820 -0.323 0.000 1.902 144 A HA -0.203 4.117 4.320 0.001 0.000 0.217 144 A C 2.134 179.584 177.584 -0.224 0.000 1.181 144 A CA 1.624 53.468 52.037 -0.323 0.000 0.623 144 A CB -0.434 18.182 19.000 -0.639 0.000 0.818 144 A HN 0.280 nan 8.150 nan 0.000 0.443 145 M N 0.050 119.428 119.600 -0.371 0.000 2.117 145 M HA -0.122 4.358 4.480 0.001 0.000 0.262 145 M C 2.008 178.321 176.300 0.022 0.000 1.065 145 M CA 1.717 56.947 55.300 -0.117 0.000 1.114 145 M CB -0.495 31.988 32.600 -0.194 0.000 1.361 145 M HN 0.370 nan 8.290 nan 0.000 0.408 146 R N -0.777 119.717 120.500 -0.009 0.000 2.081 146 R HA -0.100 4.240 4.340 0.001 0.000 0.235 146 R C 2.257 178.620 176.300 0.105 0.000 1.131 146 R CA 1.999 58.133 56.100 0.057 0.000 0.960 146 R CB -0.458 29.887 30.300 0.075 0.000 0.856 146 R HN 0.481 nan 8.270 nan 0.000 0.436 147 M N -0.159 119.492 119.600 0.085 0.000 2.132 147 M HA -0.140 4.340 4.480 0.001 0.000 0.263 147 M C 2.488 178.903 176.300 0.192 0.000 1.065 147 M CA 1.293 56.668 55.300 0.125 0.000 1.122 147 M CB -0.198 32.435 32.600 0.055 0.000 1.365 147 M HN 0.176 nan 8.290 nan 0.000 0.411 148 M N 0.472 120.224 119.600 0.253 0.000 2.159 148 M HA -0.141 4.339 4.480 0.001 0.000 0.263 148 M C 2.083 178.589 176.300 0.343 0.000 1.063 148 M CA 2.095 57.595 55.300 0.332 0.000 1.110 148 M CB -0.554 32.318 32.600 0.452 0.000 1.374 148 M HN 0.253 nan 8.290 nan 0.000 0.411 149 A N -0.933 122.047 122.820 0.267 0.000 1.929 149 A HA -0.065 4.256 4.320 0.001 0.000 0.216 149 A C 2.098 179.794 177.584 0.188 0.000 1.176 149 A CA 1.557 53.740 52.037 0.242 0.000 0.628 149 A CB -0.840 18.254 19.000 0.157 0.000 0.816 149 A HN 0.402 nan 8.150 nan 0.000 0.444 150 V N -0.558 119.453 119.914 0.162 0.000 2.992 150 V HA 0.022 4.142 4.120 0.001 0.000 0.250 150 V C 2.212 178.378 176.094 0.121 0.000 1.090 150 V CA 0.897 63.275 62.300 0.129 0.000 1.101 150 V CB -0.280 31.617 31.823 0.124 0.000 0.743 150 V HN 0.556 nan 8.190 nan 0.000 0.468 151 L N 0.639 121.944 121.223 0.137 0.000 2.013 151 L HA -0.137 4.204 4.340 0.001 0.000 0.212 151 L C -0.059 176.849 176.870 0.062 0.000 1.073 151 L CA 2.270 57.174 54.840 0.108 0.000 0.753 151 L CB -1.620 40.510 42.059 0.118 0.000 0.890 151 L HN 0.342 nan 8.230 nan 0.000 0.432 152 P HA -0.146 nan 4.420 nan 0.000 0.216 152 P C 1.505 178.913 177.300 0.180 0.000 1.150 152 P CA 1.497 64.594 63.100 -0.005 0.000 0.837 152 P CB -0.135 31.490 31.700 -0.124 0.000 0.786 153 T N -0.603 114.018 114.554 0.111 0.000 2.746 153 T HA -0.115 4.236 4.350 0.001 0.000 0.267 153 T C 1.782 176.524 174.700 0.070 0.000 1.039 153 T CA 1.156 63.307 62.100 0.086 0.000 1.142 153 T CB -0.896 68.012 68.868 0.068 0.000 0.866 153 T HN 0.088 nan 8.240 nan 0.000 0.444 154 I N 0.708 121.322 120.570 0.073 0.000 2.202 154 I HA -0.130 4.040 4.170 0.001 0.000 0.242 154 I C 2.507 178.659 176.117 0.060 0.000 1.091 154 I CA 0.845 62.179 61.300 0.056 0.000 1.368 154 I CB -0.438 37.599 38.000 0.062 0.000 1.058 154 I HN 0.066 nan 8.210 nan 0.000 0.410 155 V N 1.013 120.983 119.914 0.092 0.000 2.343 155 V HA -0.299 3.821 4.120 0.001 0.000 0.247 155 V C 2.688 178.849 176.094 0.111 0.000 1.051 155 V CA 2.040 64.404 62.300 0.107 0.000 1.036 155 V CB -1.030 30.857 31.823 0.106 0.000 0.654 155 V HN 0.498 nan 8.190 nan 0.000 0.451 156 A N -0.179 122.727 122.820 0.143 0.000 1.898 156 A HA -0.158 4.163 4.320 0.001 0.000 0.216 156 A C 2.181 179.711 177.584 -0.089 0.000 1.181 156 A CA 1.812 53.808 52.037 -0.067 0.000 0.620 156 A CB -0.538 18.346 19.000 -0.192 0.000 0.819 156 A HN 0.492 nan 8.150 nan 0.000 0.442 157 I N -0.260 120.285 120.570 -0.041 0.000 2.208 157 I HA -0.269 3.901 4.170 0.001 0.000 0.245 157 I C 2.291 178.384 176.117 -0.040 0.000 1.097 157 I CA 1.908 63.181 61.300 -0.045 0.000 1.363 157 I CB -0.316 37.669 38.000 -0.025 0.000 1.051 157 I HN 0.358 nan 8.210 nan 0.000 0.413 158 D N 0.565 120.953 120.400 -0.020 0.000 2.117 158 D HA -0.237 4.403 4.640 0.001 0.000 0.198 158 D C 2.268 178.551 176.300 -0.028 0.000 0.982 158 D CA 1.319 55.309 54.000 -0.017 0.000 0.828 158 D CB -0.039 40.761 40.800 -0.000 0.000 0.967 158 D HN 0.178 nan 8.370 nan 0.000 0.464 159 M N -0.334 119.245 119.600 -0.034 0.000 2.117 159 M HA -0.153 4.327 4.480 0.001 0.000 0.262 159 M C 2.133 178.397 176.300 -0.059 0.000 1.065 159 M CA 1.436 56.711 55.300 -0.042 0.000 1.114 159 M CB 0.058 32.625 32.600 -0.055 0.000 1.361 159 M HN -0.056 nan 8.290 nan 0.000 0.408 160 R N -0.220 120.228 120.500 -0.087 0.000 2.073 160 R HA -0.123 4.217 4.340 0.001 0.000 0.229 160 R C 2.310 178.576 176.300 -0.055 0.000 1.120 160 R CA 1.721 57.769 56.100 -0.088 0.000 0.967 160 R CB -0.533 29.697 30.300 -0.118 0.000 0.862 160 R HN 0.520 nan 8.270 nan 0.000 0.436 161 R N 1.220 121.692 120.500 -0.047 0.000 2.127 161 R HA -0.135 4.205 4.340 0.001 0.000 0.238 161 R C 1.642 177.926 176.300 -0.026 0.000 1.134 161 R CA 1.590 57.669 56.100 -0.034 0.000 0.975 161 R CB -0.304 29.977 30.300 -0.030 0.000 0.865 161 R HN 0.132 nan 8.270 nan 0.000 0.447 162 R N 0.202 120.687 120.500 -0.025 0.000 2.280 162 R HA 0.075 4.415 4.340 0.001 0.000 0.207 162 R C 1.673 177.965 176.300 -0.012 0.000 1.043 162 R CA 0.906 56.995 56.100 -0.017 0.000 1.006 162 R CB 0.016 30.305 30.300 -0.017 0.000 0.885 162 R HN 0.270 nan 8.270 nan 0.000 0.467 163 R N -0.350 120.140 120.500 -0.017 0.000 2.334 163 R HA 0.133 4.473 4.340 0.001 0.000 0.216 163 R C 0.614 176.905 176.300 -0.014 0.000 0.905 163 R CA 0.483 56.576 56.100 -0.012 0.000 1.064 163 R CB 0.869 31.161 30.300 -0.013 0.000 1.046 163 R HN 0.313 nan 8.270 nan 0.000 0.508 164 G N 1.272 110.062 108.800 -0.018 0.000 2.143 164 G HA2 -0.271 3.690 3.960 0.001 0.000 0.248 164 G HA3 -0.271 3.690 3.960 0.001 0.000 0.248 164 G C -0.040 174.846 174.900 -0.023 0.000 0.991 164 G CA -0.086 45.003 45.100 -0.018 0.000 0.689 164 G HN 0.165 nan 8.290 nan 0.000 0.522 165 L N 1.402 122.605 121.223 -0.032 0.000 2.322 165 L HA 0.579 4.920 4.340 0.001 0.000 0.279 165 L C -1.470 175.372 176.870 -0.047 0.000 1.036 165 L CA -2.389 52.427 54.840 -0.041 0.000 0.807 165 L CB 1.665 43.693 42.059 -0.052 0.000 1.226 165 L HN -0.040 nan 8.230 nan 0.000 0.433 166 P HA 0.336 nan 4.420 nan 0.000 0.278 166 P C -2.703 174.561 177.300 -0.059 0.000 1.258 166 P CA -1.878 61.195 63.100 -0.045 0.000 0.811 166 P CB -0.064 31.615 31.700 -0.036 0.000 1.063 167 P HA 0.213 nan 4.420 nan 0.000 0.269 167 P C -0.339 176.920 177.300 -0.068 0.000 1.209 167 P CA 0.430 63.493 63.100 -0.061 0.000 0.776 167 P CB 0.245 31.921 31.700 -0.040 0.000 0.876 168 I N 1.458 121.973 120.570 -0.092 0.000 2.339 168 I HA 0.379 4.549 4.170 0.001 0.000 0.290 168 I C 0.606 176.701 176.117 -0.037 0.000 0.994 168 I CA -0.880 60.364 61.300 -0.093 0.000 1.191 168 I CB 1.420 39.300 38.000 -0.201 0.000 1.343 168 I HN 0.350 nan 8.210 nan 0.000 0.458 169 A N 8.420 131.244 122.820 0.006 0.000 2.507 169 A HA 0.375 4.696 4.320 0.001 0.000 0.235 169 A C -2.319 175.320 177.584 0.091 0.000 1.070 169 A CA -0.777 51.282 52.037 0.035 0.000 0.768 169 A CB -0.615 18.400 19.000 0.025 0.000 1.011 169 A HN 0.427 nan 8.150 nan 0.000 0.502 170 P HA 0.129 nan 4.420 nan 0.000 0.269 170 P C -0.604 176.783 177.300 0.145 0.000 1.215 170 P CA 0.319 63.494 63.100 0.124 0.000 0.780 170 P CB 0.348 32.101 31.700 0.089 0.000 0.898 171 H N 1.337 120.442 119.070 0.060 0.000 2.587 171 H HA 0.208 4.764 4.556 0.001 0.000 0.325 171 H C 0.729 176.057 175.328 0.000 0.000 1.012 171 H CA -0.253 55.797 56.048 0.004 0.000 1.213 171 H CB 1.290 30.983 29.762 -0.116 0.000 1.431 171 H HN 0.327 nan 8.280 nan 0.000 0.492 172 S N 1.747 117.559 115.700 0.187 0.000 2.561 172 S HA -0.016 4.455 4.470 0.001 0.000 0.225 172 S C 1.817 176.536 174.600 0.198 0.000 0.977 172 S CA 0.457 58.750 58.200 0.155 0.000 0.926 172 S CB 0.078 63.317 63.200 0.066 0.000 0.769 172 S HN 0.622 nan 8.310 nan 0.000 0.533 173 G N 0.752 109.773 108.800 0.368 0.000 2.985 173 G HA2 0.381 4.341 3.960 0.001 0.000 0.209 173 G HA3 0.381 4.341 3.960 0.001 0.000 0.209 173 G C 0.236 175.142 174.900 0.010 0.000 1.165 173 G CA -0.263 44.939 45.100 0.169 0.000 0.776 173 G HN 0.464 nan 8.290 nan 0.000 0.541 174 L N 0.649 121.871 121.223 -0.002 0.000 2.325 174 L HA 0.606 4.946 4.340 0.001 0.000 0.278 174 L C 1.047 177.955 176.870 0.063 0.000 1.023 174 L CA -1.127 53.684 54.840 -0.049 0.000 0.811 174 L CB 1.835 43.799 42.059 -0.158 0.000 1.249 174 L HN 0.081 nan 8.230 nan 0.000 0.431 175 G N -0.244 108.611 108.800 0.091 0.000 2.651 175 G HA2 0.003 3.964 3.960 0.001 0.000 0.260 175 G HA3 0.003 3.964 3.960 0.001 0.000 0.260 175 G C 0.285 175.329 174.900 0.239 0.000 1.216 175 G CA -0.031 45.174 45.100 0.175 0.000 0.913 175 G HN 0.690 nan 8.290 nan 0.000 0.535 176 Y N 0.824 121.248 120.300 0.206 0.000 2.053 176 Y HA -0.241 4.309 4.550 0.001 0.000 0.277 176 Y C 2.862 178.938 175.900 0.293 0.000 1.159 176 Y CA 3.046 61.300 58.100 0.257 0.000 1.125 176 Y CB -0.368 38.290 38.460 0.330 0.000 0.969 176 Y HN 0.422 nan 8.280 nan 0.000 0.492 177 A N -0.019 123.120 122.820 0.533 0.000 1.877 177 A HA -0.245 4.076 4.320 0.001 0.000 0.216 177 A C 2.098 179.875 177.584 0.322 0.000 1.186 177 A CA 1.907 54.279 52.037 0.558 0.000 0.620 177 A CB -0.876 18.442 19.000 0.529 0.000 0.822 177 A HN 0.689 nan 8.150 nan 0.000 0.443 178 Q N -0.771 119.157 119.800 0.213 0.000 2.096 178 Q HA -0.244 4.096 4.340 0.001 0.000 0.204 178 Q C 2.119 178.168 176.000 0.081 0.000 0.982 178 Q CA 1.720 57.589 55.803 0.110 0.000 0.850 178 Q CB -0.306 28.463 28.738 0.052 0.000 0.901 178 Q HN 0.775 nan 8.270 nan 0.000 0.422 179 N N 0.331 119.081 118.700 0.084 0.000 2.084 179 N HA -0.185 4.555 4.740 0.001 0.000 0.190 179 N C 1.391 176.947 175.510 0.077 0.000 1.030 179 N CA 1.123 54.220 53.050 0.079 0.000 0.849 179 N CB -0.263 38.266 38.487 0.070 0.000 1.012 179 N HN 0.256 nan 8.380 nan 0.000 0.423 180 F N 0.699 120.567 119.950 -0.137 0.000 2.102 180 F HA -0.088 4.440 4.527 0.001 0.000 0.298 180 F C 1.815 177.497 175.800 -0.198 0.000 1.105 180 F CA 1.141 59.012 58.000 -0.214 0.000 1.239 180 F CB -0.106 38.715 39.000 -0.299 0.000 0.991 180 F HN 0.057 nan 8.300 nan 0.000 0.474 181 L N -0.437 120.641 121.223 -0.242 0.000 2.046 181 L HA -0.258 4.082 4.340 0.001 0.000 0.208 181 L C 2.478 179.279 176.870 -0.116 0.000 1.077 181 L CA 1.773 56.483 54.840 -0.217 0.000 0.747 181 L CB -1.096 40.945 42.059 -0.030 0.000 0.896 181 L HN 0.262 nan 8.230 nan 0.000 0.432 182 H N 0.062 119.055 119.070 -0.128 0.000 2.321 182 H HA -0.163 4.394 4.556 0.001 0.000 0.300 182 H C 2.291 177.529 175.328 -0.149 0.000 1.087 182 H CA 1.801 57.797 56.048 -0.087 0.000 1.319 182 H CB 0.015 29.746 29.762 -0.052 0.000 1.379 182 H HN 0.137 nan 8.280 nan 0.000 0.501 183 M N -0.890 118.575 119.600 -0.226 0.000 2.279 183 M HA -0.166 4.315 4.480 0.001 0.000 0.264 183 M C 2.261 178.288 176.300 -0.455 0.000 1.062 183 M CA 1.055 56.177 55.300 -0.298 0.000 1.099 183 M CB -0.074 32.427 32.600 -0.165 0.000 1.394 183 M HN 0.446 nan 8.290 nan 0.000 0.426 184 C N -0.795 118.077 119.300 -0.713 0.000 2.486 184 C HA -0.048 4.412 4.460 0.001 0.000 0.279 184 C C 2.120 176.592 174.990 -0.862 0.000 1.302 184 C CA 0.563 58.991 59.018 -0.983 0.000 1.720 184 C CB -0.735 26.018 27.740 -1.645 0.000 2.030 184 C HN 0.471 nan 8.230 nan 0.000 0.490 185 F N -0.578 119.201 119.950 -0.285 0.000 2.752 185 F HA 0.375 4.902 4.527 0.001 0.000 0.310 185 F C 1.967 177.637 175.800 -0.217 0.000 1.097 185 F CA 0.790 58.652 58.000 -0.229 0.000 1.238 185 F CB -0.572 38.293 39.000 -0.225 0.000 1.061 185 F HN 0.253 nan 8.300 nan 0.000 0.591 186 G N 0.449 109.143 108.800 -0.177 0.000 2.213 186 G HA2 -0.253 3.707 3.960 0.001 0.000 0.236 186 G HA3 -0.253 3.707 3.960 0.001 0.000 0.236 186 G C 0.185 175.000 174.900 -0.142 0.000 0.991 186 G CA 0.221 45.167 45.100 -0.257 0.000 0.629 186 G HN 0.396 nan 8.290 nan 0.000 0.517 187 E N -0.258 119.951 120.200 0.014 0.000 2.343 187 E HA 0.515 4.866 4.350 0.001 0.000 0.278 187 E C -0.418 176.271 176.600 0.148 0.000 0.910 187 E CA -0.793 55.687 56.400 0.133 0.000 0.757 187 E CB 2.177 31.902 29.700 0.042 0.000 1.218 187 E HN 0.210 nan 8.360 nan 0.000 0.435 188 V N 5.578 125.575 119.914 0.138 0.000 2.446 188 V HA 0.181 4.301 4.120 0.001 0.000 0.276 188 V C -1.545 174.550 176.094 0.002 0.000 1.030 188 V CA -0.815 61.519 62.300 0.057 0.000 1.033 188 V CB 0.077 31.902 31.823 0.005 0.000 0.993 188 V HN 0.634 nan 8.190 nan 0.000 0.477 189 P HA 0.226 nan 4.420 nan 0.000 0.286 189 P C -0.300 176.966 177.300 -0.057 0.000 1.293 189 P CA -0.686 62.363 63.100 -0.086 0.000 0.770 189 P CB 0.600 32.200 31.700 -0.167 0.000 1.206 190 E N -0.843 119.315 120.200 -0.069 0.000 2.481 190 E HA 0.003 4.353 4.350 0.001 0.000 0.263 190 E C 1.298 177.883 176.600 -0.024 0.000 0.992 190 E CA 0.591 56.964 56.400 -0.046 0.000 0.938 190 E CB -0.636 29.032 29.700 -0.054 0.000 0.933 190 E HN 0.284 nan 8.360 nan 0.000 0.453 191 T N 2.028 116.575 114.554 -0.012 0.000 2.737 191 T HA -0.286 4.064 4.350 0.001 0.000 0.269 191 T C 1.759 176.466 174.700 0.012 0.000 1.040 191 T CA 1.542 63.645 62.100 0.006 0.000 1.142 191 T CB -0.218 68.652 68.868 0.004 0.000 0.861 191 T HN 0.608 nan 8.240 nan 0.000 0.456 192 A N 0.759 123.577 122.820 -0.002 0.000 1.940 192 A HA -0.063 4.257 4.320 0.001 0.000 0.219 192 A C 2.592 180.183 177.584 0.010 0.000 1.176 192 A CA 1.421 53.458 52.037 -0.001 0.000 0.631 192 A CB -0.920 18.071 19.000 -0.016 0.000 0.814 192 A HN 0.390 nan 8.150 nan 0.000 0.446 193 V N -0.551 119.363 119.914 -0.001 0.000 2.323 193 V HA -0.189 3.931 4.120 0.001 0.000 0.244 193 V C 2.582 178.728 176.094 0.087 0.000 1.041 193 V CA 1.779 64.083 62.300 0.008 0.000 1.025 193 V CB -0.592 31.189 31.823 -0.069 0.000 0.656 193 V HN 0.377 nan 8.190 nan 0.000 0.451 194 V N 0.480 120.445 119.914 0.085 0.000 2.287 194 V HA -0.276 3.844 4.120 0.001 0.000 0.248 194 V C 2.733 178.944 176.094 0.196 0.000 1.053 194 V CA 2.540 64.936 62.300 0.162 0.000 1.027 194 V CB -0.916 30.974 31.823 0.111 0.000 0.646 194 V HN 0.704 nan 8.190 nan 0.000 0.447 195 S N 0.504 116.272 115.700 0.113 0.000 2.387 195 S HA -0.095 4.375 4.470 0.001 0.000 0.226 195 S C 2.078 176.723 174.600 0.075 0.000 1.026 195 S CA 1.400 59.651 58.200 0.084 0.000 0.972 195 S CB -0.307 62.919 63.200 0.042 0.000 0.814 195 S HN 0.572 nan 8.310 nan 0.000 0.477 196 A N 0.645 123.515 122.820 0.083 0.000 1.933 196 A HA 0.075 4.396 4.320 0.001 0.000 0.218 196 A C 1.979 179.637 177.584 0.124 0.000 1.175 196 A CA 1.429 53.507 52.037 0.069 0.000 0.628 196 A CB -1.047 17.988 19.000 0.060 0.000 0.814 196 A HN 0.700 nan 8.150 nan 0.000 0.444 197 F N 0.696 120.697 119.950 0.085 0.000 2.128 197 F HA -0.078 4.449 4.527 0.001 0.000 0.295 197 F C 2.119 177.973 175.800 0.089 0.000 1.100 197 F CA 1.971 60.055 58.000 0.141 0.000 1.260 197 F CB -0.419 38.705 39.000 0.207 0.000 1.009 197 F HN 0.380 nan 8.300 nan 0.000 0.476 198 E N -0.128 120.064 120.200 -0.014 0.000 2.085 198 E HA -0.283 4.068 4.350 0.001 0.000 0.194 198 E C 2.178 178.692 176.600 -0.143 0.000 0.994 198 E CA 1.800 58.141 56.400 -0.098 0.000 0.801 198 E CB -0.191 29.561 29.700 0.087 0.000 0.743 198 E HN 0.618 nan 8.360 nan 0.000 0.453 199 Q N -0.263 119.483 119.800 -0.091 0.000 2.084 199 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 199 Q C 2.373 178.269 176.000 -0.175 0.000 0.978 199 Q CA 1.435 57.178 55.803 -0.101 0.000 0.844 199 Q CB -0.204 28.487 28.738 -0.078 0.000 0.898 199 Q HN 0.199 nan 8.270 nan 0.000 0.426 200 S N 0.137 115.700 115.700 -0.227 0.000 2.370 200 S HA -0.158 4.312 4.470 0.001 0.000 0.226 200 S C 1.932 176.324 174.600 -0.348 0.000 1.033 200 S CA 1.005 59.009 58.200 -0.326 0.000 1.011 200 S CB -0.004 63.085 63.200 -0.185 0.000 0.852 200 S HN 0.238 nan 8.310 nan 0.000 0.457 201 M N 0.655 119.983 119.600 -0.454 0.000 2.229 201 M HA 0.036 4.517 4.480 0.001 0.000 0.264 201 M C 2.085 178.299 176.300 -0.144 0.000 1.063 201 M CA 1.159 56.137 55.300 -0.537 0.000 1.114 201 M CB -1.158 30.783 32.600 -1.099 0.000 1.387 201 M HN 0.416 nan 8.290 nan 0.000 0.420 202 I N -0.189 120.375 120.570 -0.011 0.000 2.286 202 I HA -0.272 3.898 4.170 0.001 0.000 0.245 202 I C 2.246 178.465 176.117 0.171 0.000 1.104 202 I CA 0.877 62.283 61.300 0.175 0.000 1.397 202 I CB -0.302 37.756 38.000 0.097 0.000 1.072 202 I HN 0.197 nan 8.210 nan 0.000 0.417 203 L N -0.711 120.508 121.223 -0.006 0.000 2.141 203 L HA -0.216 4.125 4.340 0.001 0.000 0.209 203 L C 2.251 179.151 176.870 0.050 0.000 1.094 203 L CA 1.196 56.008 54.840 -0.046 0.000 0.763 203 L CB -0.513 41.403 42.059 -0.239 0.000 0.908 203 L HN 0.249 nan 8.230 nan 0.000 0.437 204 Y N -0.285 119.971 120.300 -0.073 0.000 2.523 204 Y HA 0.105 4.656 4.550 0.001 0.000 0.279 204 Y C 2.368 178.309 175.900 0.068 0.000 1.139 204 Y CA -0.146 57.871 58.100 -0.139 0.000 1.296 204 Y CB -0.657 37.591 38.460 -0.353 0.000 1.045 204 Y HN 0.070 nan 8.280 nan 0.000 0.538 205 A N -0.055 122.931 122.820 0.278 0.000 1.908 205 A HA -0.122 4.198 4.320 0.001 0.000 0.218 205 A C 0.694 178.273 177.584 -0.009 0.000 1.181 205 A CA 1.849 53.966 52.037 0.135 0.000 0.627 205 A CB -0.217 18.848 19.000 0.109 0.000 0.818 205 A HN 0.293 nan 8.150 nan 0.000 0.445 206 E N -2.264 117.956 120.200 0.033 0.000 2.335 206 E HA 0.455 4.806 4.350 0.001 0.000 0.280 206 E C -1.009 175.833 176.600 0.403 0.000 0.918 206 E CA -0.575 55.845 56.400 0.032 0.000 0.765 206 E CB 0.747 30.173 29.700 -0.457 0.000 1.218 206 E HN 0.273 nan 8.360 nan 0.000 0.425 207 H N 3.400 122.637 119.070 0.277 0.000 3.345 207 H HA 0.327 4.883 4.556 0.001 0.000 0.215 207 H C 0.309 175.794 175.328 0.260 0.000 1.368 207 H CA 0.323 56.556 56.048 0.309 0.000 1.211 207 H CB 0.284 30.264 29.762 0.363 0.000 2.467 207 H HN 0.924 nan 8.280 nan 0.000 0.530 208 G N 0.999 109.928 108.800 0.216 0.000 2.552 208 G HA2 -0.351 3.610 3.960 0.001 0.000 0.265 208 G HA3 -0.351 3.610 3.960 0.001 0.000 0.265 208 G C -0.192 174.874 174.900 0.277 0.000 1.234 208 G CA 0.150 45.354 45.100 0.174 0.000 0.944 208 G HN 0.245 nan 8.290 nan 0.000 0.568 209 F N 3.123 123.052 119.950 -0.036 0.000 2.871 209 F HA 0.271 4.799 4.527 0.001 0.000 0.317 209 F C 1.395 177.174 175.800 -0.036 0.000 1.193 209 F CA -0.918 57.057 58.000 -0.041 0.000 1.311 209 F CB -1.473 37.499 39.000 -0.047 0.000 1.380 209 F HN 0.579 nan 8.300 nan 0.000 0.557 210 N N -0.209 118.608 118.700 0.195 0.000 2.297 210 N HA 0.202 4.942 4.740 0.001 0.000 0.232 210 N C 1.343 176.894 175.510 0.069 0.000 1.311 210 N CA 0.316 53.422 53.050 0.093 0.000 0.897 210 N CB 0.624 39.239 38.487 0.213 0.000 1.137 210 N HN 0.113 nan 8.380 nan 0.000 0.449 211 A N 0.224 122.966 122.820 -0.131 0.000 1.908 211 A HA -0.223 4.097 4.320 0.001 0.000 0.218 211 A C 2.237 179.898 177.584 0.129 0.000 1.181 211 A CA 2.133 54.168 52.037 -0.004 0.000 0.627 211 A CB -1.539 17.396 19.000 -0.108 0.000 0.818 211 A HN 0.837 nan 8.150 nan 0.000 0.445 212 S N -1.239 114.640 115.700 0.300 0.000 2.371 212 S HA -0.135 4.335 4.470 0.001 0.000 0.224 212 S C 1.893 176.439 174.600 -0.091 0.000 1.029 212 S CA 1.808 60.094 58.200 0.143 0.000 0.978 212 S CB -1.215 62.168 63.200 0.304 0.000 0.833 212 S HN 0.455 nan 8.310 nan 0.000 0.466 213 T N 1.782 116.440 114.554 0.173 0.000 2.720 213 T HA -0.020 4.330 4.350 0.001 0.000 0.268 213 T C 1.310 175.952 174.700 -0.096 0.000 1.037 213 T CA 1.532 63.663 62.100 0.051 0.000 1.144 213 T CB -0.604 68.300 68.868 0.060 0.000 0.864 213 T HN 0.423 nan 8.240 nan 0.000 0.444 214 F N 2.141 121.984 119.950 -0.179 0.000 2.134 214 F HA 0.026 4.553 4.527 0.001 0.000 0.299 214 F C 2.427 178.105 175.800 -0.204 0.000 1.097 214 F CA 0.709 58.569 58.000 -0.234 0.000 1.264 214 F CB -0.816 38.094 39.000 -0.150 0.000 1.001 214 F HN 0.142 nan 8.300 nan 0.000 0.479 215 A N 0.276 122.953 122.820 -0.237 0.000 1.908 215 A HA -0.120 4.201 4.320 0.001 0.000 0.218 215 A C 2.424 179.786 177.584 -0.370 0.000 1.181 215 A CA 1.981 53.826 52.037 -0.320 0.000 0.627 215 A CB -1.547 17.323 19.000 -0.217 0.000 0.818 215 A HN 0.471 nan 8.150 nan 0.000 0.445 216 A N -0.519 122.077 122.820 -0.374 0.000 1.969 216 A HA -0.104 4.216 4.320 0.001 0.000 0.218 216 A C 2.238 179.662 177.584 -0.268 0.000 1.169 216 A CA 1.352 53.189 52.037 -0.332 0.000 0.635 216 A CB -0.378 18.400 19.000 -0.370 0.000 0.810 216 A HN 0.568 nan 8.150 nan 0.000 0.445 217 R N -0.745 119.565 120.500 -0.318 0.000 2.073 217 R HA -0.034 4.307 4.340 0.001 0.000 0.229 217 R C 2.021 178.111 176.300 -0.350 0.000 1.120 217 R CA 1.269 57.188 56.100 -0.301 0.000 0.967 217 R CB -0.577 29.518 30.300 -0.341 0.000 0.862 217 R HN 0.357 nan 8.270 nan 0.000 0.436 218 V N 0.838 120.435 119.914 -0.529 0.000 2.282 218 V HA -0.249 3.871 4.120 0.001 0.000 0.249 218 V C 2.362 178.296 176.094 -0.267 0.000 1.057 218 V CA 1.752 63.784 62.300 -0.447 0.000 1.032 218 V CB -0.366 31.128 31.823 -0.547 0.000 0.645 218 V HN 0.134 nan 8.190 nan 0.000 0.447 219 V N -0.267 119.500 119.914 -0.244 0.000 2.295 219 V HA -0.264 3.856 4.120 0.001 0.000 0.246 219 V C 2.547 178.561 176.094 -0.133 0.000 1.049 219 V CA 2.630 64.829 62.300 -0.167 0.000 1.024 219 V CB -0.962 30.766 31.823 -0.159 0.000 0.648 219 V HN 0.624 nan 8.190 nan 0.000 0.447 220 T N 0.289 114.759 114.554 -0.139 0.000 2.833 220 T HA -0.168 4.182 4.350 0.001 0.000 0.269 220 T C 2.059 176.706 174.700 -0.088 0.000 1.054 220 T CA 1.668 63.709 62.100 -0.099 0.000 1.135 220 T CB -0.382 68.432 68.868 -0.089 0.000 0.869 220 T HN 0.722 nan 8.240 nan 0.000 0.466 221 S N 1.935 117.568 115.700 -0.111 0.000 2.440 221 S HA -0.154 4.316 4.470 0.001 0.000 0.240 221 S C 1.994 176.554 174.600 -0.066 0.000 1.014 221 S CA 1.608 59.755 58.200 -0.088 0.000 0.980 221 S CB -0.965 62.169 63.200 -0.109 0.000 0.775 221 S HN 0.683 nan 8.310 nan 0.000 0.499 222 T N -1.955 112.558 114.554 -0.070 0.000 3.144 222 T HA 0.283 4.633 4.350 0.001 0.000 0.249 222 T C 0.541 175.216 174.700 -0.042 0.000 1.089 222 T CA 0.204 62.272 62.100 -0.053 0.000 0.989 222 T CB -0.608 68.227 68.868 -0.055 0.000 0.992 222 T HN 0.526 nan 8.240 nan 0.000 0.540 223 Q N -0.028 119.747 119.800 -0.042 0.000 2.493 223 Q HA -0.152 4.188 4.340 0.001 0.000 0.260 223 Q C 0.102 176.083 176.000 -0.031 0.000 0.905 223 Q CA 0.538 56.321 55.803 -0.033 0.000 1.140 223 Q CB -2.255 26.468 28.738 -0.026 0.000 1.435 223 Q HN 0.606 nan 8.270 nan 0.000 0.581 224 S N 1.005 116.683 115.700 -0.038 0.000 2.600 224 S HA 0.124 4.595 4.470 0.001 0.000 0.265 224 S C 0.269 174.857 174.600 -0.021 0.000 1.325 224 S CA -0.255 57.927 58.200 -0.031 0.000 1.002 224 S CB 0.609 63.784 63.200 -0.041 0.000 0.921 224 S HN 0.337 nan 8.310 nan 0.000 0.554 225 D N 1.756 122.157 120.400 0.002 0.000 2.377 225 D HA 0.016 4.656 4.640 0.001 0.000 0.245 225 D C 1.498 177.815 176.300 0.028 0.000 1.196 225 D CA -0.527 53.491 54.000 0.031 0.000 0.962 225 D CB 0.577 41.424 40.800 0.078 0.000 1.127 225 D HN 0.546 nan 8.370 nan 0.000 0.471 226 I N -0.012 120.570 120.570 0.019 0.000 2.286 226 I HA -0.304 3.867 4.170 0.001 0.000 0.248 226 I C 1.694 177.765 176.117 -0.076 0.000 1.115 226 I CA 1.022 62.281 61.300 -0.067 0.000 1.392 226 I CB -0.068 37.840 38.000 -0.154 0.000 1.065 226 I HN 0.364 nan 8.210 nan 0.000 0.418 227 Y N 0.324 120.615 120.300 -0.014 0.000 2.200 227 Y HA -0.203 4.347 4.550 0.001 0.000 0.290 227 Y C 2.841 178.724 175.900 -0.030 0.000 1.137 227 Y CA 1.564 59.661 58.100 -0.006 0.000 1.163 227 Y CB -0.614 37.845 38.460 -0.001 0.000 0.988 227 Y HN 0.122 nan 8.280 nan 0.000 0.518 228 S N -0.022 115.748 115.700 0.117 0.000 2.368 228 S HA -0.252 4.218 4.470 0.001 0.000 0.225 228 S C 2.323 176.896 174.600 -0.044 0.000 1.030 228 S CA 1.091 59.304 58.200 0.021 0.000 0.999 228 S CB -0.661 62.537 63.200 -0.003 0.000 0.844 228 S HN 0.529 nan 8.310 nan 0.000 0.459 229 A N 1.098 123.880 122.820 -0.064 0.000 1.898 229 A HA -0.021 4.299 4.320 0.001 0.000 0.216 229 A C 2.352 179.809 177.584 -0.212 0.000 1.181 229 A CA 1.431 53.385 52.037 -0.139 0.000 0.620 229 A CB -0.871 18.055 19.000 -0.124 0.000 0.819 229 A HN 0.340 nan 8.150 nan 0.000 0.442 230 V N -0.060 119.766 119.914 -0.145 0.000 2.343 230 V HA -0.225 3.896 4.120 0.001 0.000 0.247 230 V C 2.737 178.718 176.094 -0.188 0.000 1.051 230 V CA 2.443 64.641 62.300 -0.172 0.000 1.036 230 V CB -1.330 30.508 31.823 0.024 0.000 0.654 230 V HN 0.614 nan 8.190 nan 0.000 0.451 231 T N 0.447 114.960 114.554 -0.068 0.000 2.759 231 T HA -0.159 4.191 4.350 0.001 0.000 0.269 231 T C 1.882 176.509 174.700 -0.121 0.000 1.042 231 T CA 1.611 63.684 62.100 -0.046 0.000 1.140 231 T CB -0.637 68.237 68.868 0.010 0.000 0.864 231 T HN 0.628 nan 8.240 nan 0.000 0.455 232 G N 0.814 109.512 108.800 -0.171 0.000 2.408 232 G HA2 0.049 4.009 3.960 0.001 0.000 0.217 232 G HA3 0.049 4.009 3.960 0.001 0.000 0.217 232 G C 1.787 176.509 174.900 -0.296 0.000 1.150 232 G CA 0.758 45.740 45.100 -0.196 0.000 0.776 232 G HN 0.586 nan 8.290 nan 0.000 0.542 233 A N 0.650 123.160 122.820 -0.516 0.000 1.929 233 A HA 0.154 4.474 4.320 0.001 0.000 0.216 233 A C 2.353 179.532 177.584 -0.675 0.000 1.176 233 A CA 0.940 52.458 52.037 -0.864 0.000 0.628 233 A CB -0.286 17.610 19.000 -1.841 0.000 0.816 233 A HN 0.350 nan 8.150 nan 0.000 0.444 234 I N -0.085 120.206 120.570 -0.464 0.000 2.163 234 I HA -0.243 3.927 4.170 0.001 0.000 0.243 234 I C 2.746 178.828 176.117 -0.058 0.000 1.085 234 I CA 1.269 62.530 61.300 -0.065 0.000 1.347 234 I CB -0.681 37.348 38.000 0.049 0.000 1.044 234 I HN 0.389 nan 8.210 nan 0.000 0.408 235 G N 0.441 109.189 108.800 -0.086 0.000 2.476 235 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 235 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 235 G C 1.833 176.702 174.900 -0.052 0.000 1.164 235 G CA 1.001 46.066 45.100 -0.058 0.000 0.768 235 G HN 0.520 nan 8.290 nan 0.000 0.560 236 A N 0.242 123.020 122.820 -0.069 0.000 1.902 236 A HA 0.082 4.403 4.320 0.001 0.000 0.217 236 A C 2.370 179.982 177.584 0.047 0.000 1.181 236 A CA 1.652 53.690 52.037 0.001 0.000 0.623 236 A CB -0.467 18.534 19.000 0.002 0.000 0.818 236 A HN 0.423 nan 8.150 nan 0.000 0.443 237 L N 0.067 121.262 121.223 -0.046 0.000 2.131 237 L HA -0.127 4.214 4.340 0.001 0.000 0.210 237 L C 2.298 179.069 176.870 -0.166 0.000 1.092 237 L CA 2.395 57.082 54.840 -0.255 0.000 0.759 237 L CB -0.463 41.442 42.059 -0.255 0.000 0.903 237 L HN 0.491 nan 8.230 nan 0.000 0.435 238 K N -0.246 120.111 120.400 -0.072 0.000 2.113 238 K HA -0.094 4.226 4.320 0.001 0.000 0.208 238 K C 0.958 177.529 176.600 -0.049 0.000 1.047 238 K CA 0.853 57.101 56.287 -0.064 0.000 0.928 238 K CB -0.563 31.887 32.500 -0.084 0.000 0.716 238 K HN 0.450 nan 8.250 nan 0.000 0.446 239 G N -0.596 108.201 108.800 -0.004 0.000 2.432 239 G HA2 0.150 4.110 3.960 0.001 0.000 0.239 239 G HA3 0.150 4.110 3.960 0.001 0.000 0.239 239 G C 0.861 175.810 174.900 0.081 0.000 1.291 239 G CA 0.159 45.279 45.100 0.033 0.000 0.863 239 G HN 0.483 nan 8.290 nan 0.000 0.560 240 R N 1.458 122.007 120.500 0.080 0.000 2.159 240 R HA 0.001 4.341 4.340 0.001 0.000 0.237 240 R C 2.125 178.512 176.300 0.144 0.000 1.131 240 R CA 1.719 57.889 56.100 0.118 0.000 0.982 240 R CB -0.954 29.410 30.300 0.106 0.000 0.868 240 R HN 0.626 nan 8.270 nan 0.000 0.453 241 L N -0.744 120.557 121.223 0.131 0.000 2.599 241 L HA 0.152 4.492 4.340 0.001 0.000 0.230 241 L C 1.491 178.476 176.870 0.192 0.000 1.141 241 L CA 0.281 55.200 54.840 0.132 0.000 0.877 241 L CB -0.191 41.916 42.059 0.081 0.000 1.009 241 L HN 0.551 nan 8.230 nan 0.000 0.447 242 H N -0.741 118.384 119.070 0.091 0.000 5.185 242 H HA 0.281 4.838 4.556 0.001 0.000 0.179 242 H C 1.498 176.919 175.328 0.156 0.000 1.316 242 H CA 0.413 56.523 56.048 0.104 0.000 0.320 242 H CB -0.139 29.655 29.762 0.054 0.000 1.613 242 H HN -0.191 nan 8.280 nan 0.000 0.308 243 G N -0.559 108.187 108.800 -0.089 0.000 2.534 243 G HA2 -0.054 3.906 3.960 0.001 0.000 0.217 243 G HA3 -0.054 3.906 3.960 0.001 0.000 0.217 243 G C 1.427 176.421 174.900 0.156 0.000 1.128 243 G CA 0.648 45.717 45.100 -0.052 0.000 0.784 243 G HN 0.600 nan 8.290 nan 0.000 0.542 244 G N 0.711 109.588 108.800 0.128 0.000 2.559 244 G HA2 0.138 4.099 3.960 0.001 0.000 0.216 244 G HA3 0.138 4.099 3.960 0.001 0.000 0.216 244 G C 1.793 176.827 174.900 0.222 0.000 1.126 244 G CA 1.164 46.362 45.100 0.164 0.000 0.778 244 G HN 0.531 nan 8.290 nan 0.000 0.543 245 A N 2.128 125.094 122.820 0.244 0.000 1.930 245 A HA -0.117 4.204 4.320 0.001 0.000 0.217 245 A C 2.279 180.025 177.584 0.270 0.000 1.175 245 A CA 1.978 54.167 52.037 0.254 0.000 0.627 245 A CB -0.439 18.715 19.000 0.257 0.000 0.815 245 A HN 0.521 nan 8.150 nan 0.000 0.443 246 N N 0.719 119.597 118.700 0.297 0.000 2.084 246 N HA -0.238 4.502 4.740 0.001 0.000 0.190 246 N C 1.562 177.307 175.510 0.391 0.000 1.030 246 N CA 1.878 55.108 53.050 0.300 0.000 0.849 246 N CB -0.869 37.779 38.487 0.268 0.000 1.012 246 N HN 0.713 nan 8.380 nan 0.000 0.423 247 E N 0.478 120.909 120.200 0.384 0.000 2.058 247 E HA -0.133 4.217 4.350 0.001 0.000 0.194 247 E C 1.787 178.434 176.600 0.078 0.000 0.997 247 E CA 1.429 57.928 56.400 0.165 0.000 0.801 247 E CB -0.300 29.487 29.700 0.145 0.000 0.746 247 E HN 0.471 nan 8.360 nan 0.000 0.450 248 A N 0.510 123.463 122.820 0.222 0.000 2.015 248 A HA -0.065 4.256 4.320 0.001 0.000 0.219 248 A C 2.371 180.097 177.584 0.236 0.000 1.163 248 A CA 1.031 53.230 52.037 0.271 0.000 0.646 248 A CB -0.434 18.726 19.000 0.266 0.000 0.806 248 A HN 0.236 nan 8.150 nan 0.000 0.448 249 V N -0.637 119.413 119.914 0.227 0.000 2.287 249 V HA -0.306 3.815 4.120 0.001 0.000 0.248 249 V C 2.563 178.707 176.094 0.083 0.000 1.053 249 V CA 2.481 64.916 62.300 0.225 0.000 1.027 249 V CB -0.556 31.416 31.823 0.249 0.000 0.646 249 V HN 0.654 nan 8.190 nan 0.000 0.447 250 M N -1.086 118.517 119.600 0.004 0.000 2.200 250 M HA -0.075 4.405 4.480 0.001 0.000 0.265 250 M C 2.070 178.228 176.300 -0.237 0.000 1.066 250 M CA 1.646 56.833 55.300 -0.189 0.000 1.127 250 M CB -0.798 31.716 32.600 -0.143 0.000 1.379 250 M HN 0.384 nan 8.290 nan 0.000 0.420 251 H N 0.106 119.136 119.070 -0.068 0.000 2.352 251 H HA -0.141 4.416 4.556 0.001 0.000 0.299 251 H C 1.637 176.948 175.328 -0.030 0.000 1.097 251 H CA 1.860 57.883 56.048 -0.042 0.000 1.311 251 H CB -0.513 29.265 29.762 0.026 0.000 1.377 251 H HN 0.389 nan 8.280 nan 0.000 0.504 252 D N 0.249 120.721 120.400 0.121 0.000 2.097 252 D HA -0.115 4.525 4.640 0.001 0.000 0.195 252 D C 2.435 178.577 176.300 -0.263 0.000 0.989 252 D CA 0.706 54.700 54.000 -0.010 0.000 0.827 252 D CB -0.275 40.589 40.800 0.107 0.000 0.966 252 D HN 0.293 nan 8.370 nan 0.000 0.456 253 M N 0.059 119.554 119.600 -0.174 0.000 2.108 253 M HA -0.125 4.355 4.480 0.001 0.000 0.261 253 M C 2.329 178.618 176.300 -0.018 0.000 1.066 253 M CA 1.035 56.261 55.300 -0.122 0.000 1.107 253 M CB -0.265 32.266 32.600 -0.114 0.000 1.356 253 M HN 0.025 nan 8.290 nan 0.000 0.406 254 I N -0.069 120.440 120.570 -0.102 0.000 2.286 254 I HA -0.294 3.876 4.170 0.001 0.000 0.248 254 I C 2.445 178.578 176.117 0.027 0.000 1.115 254 I CA 1.435 62.738 61.300 0.005 0.000 1.392 254 I CB -0.403 37.560 38.000 -0.061 0.000 1.065 254 I HN 0.397 nan 8.210 nan 0.000 0.418 255 E N 1.270 121.451 120.200 -0.032 0.000 2.150 255 E HA -0.186 4.164 4.350 0.001 0.000 0.193 255 E C 2.280 178.806 176.600 -0.122 0.000 0.985 255 E CA 0.934 57.321 56.400 -0.021 0.000 0.814 255 E CB 0.086 29.825 29.700 0.064 0.000 0.752 255 E HN 0.471 nan 8.360 nan 0.000 0.466 256 I N -0.366 120.013 120.570 -0.317 0.000 2.202 256 I HA -0.126 4.044 4.170 0.001 0.000 0.242 256 I C 2.190 178.262 176.117 -0.075 0.000 1.091 256 I CA 1.077 62.202 61.300 -0.293 0.000 1.368 256 I CB -0.447 37.307 38.000 -0.410 0.000 1.058 256 I HN 0.448 nan 8.210 nan 0.000 0.410 257 G N 0.247 109.045 108.800 -0.003 0.000 2.435 257 G HA2 -0.309 3.652 3.960 0.001 0.000 0.245 257 G HA3 -0.309 3.652 3.960 0.001 0.000 0.245 257 G C 0.237 175.099 174.900 -0.063 0.000 1.073 257 G CA 0.575 45.685 45.100 0.017 0.000 0.638 257 G HN 0.473 nan 8.290 nan 0.000 0.521 258 D N -0.786 119.579 120.400 -0.058 0.000 2.886 258 D HA 0.348 4.989 4.640 0.001 0.000 0.216 258 D C -1.926 174.352 176.300 -0.038 0.000 1.256 258 D CA -0.795 53.161 54.000 -0.073 0.000 0.844 258 D CB 1.898 42.670 40.800 -0.046 0.000 1.669 258 D HN -0.028 nan 8.370 nan 0.000 0.513 259 P HA -0.084 nan 4.420 nan 0.000 0.218 259 P C 1.165 178.479 177.300 0.022 0.000 1.149 259 P CA 0.914 64.017 63.100 0.005 0.000 0.817 259 P CB 0.158 31.860 31.700 0.003 0.000 0.785 260 A N 0.493 123.320 122.820 0.011 0.000 2.024 260 A HA -0.204 4.116 4.320 0.001 0.000 0.220 260 A C 1.948 179.556 177.584 0.041 0.000 1.164 260 A CA 1.768 53.818 52.037 0.023 0.000 0.643 260 A CB -1.205 17.802 19.000 0.012 0.000 0.806 260 A HN 0.171 nan 8.150 nan 0.000 0.451 261 N N -0.225 118.501 118.700 0.044 0.000 2.412 261 N HA 0.164 4.904 4.740 0.001 0.000 0.184 261 N C 1.553 177.138 175.510 0.126 0.000 1.101 261 N CA 0.907 54.003 53.050 0.077 0.000 0.881 261 N CB -0.238 38.289 38.487 0.067 0.000 0.969 261 N HN 0.473 nan 8.380 nan 0.000 0.459 262 A N 1.534 124.416 122.820 0.104 0.000 1.873 262 A HA -0.113 4.208 4.320 0.001 0.000 0.215 262 A C 2.565 180.275 177.584 0.210 0.000 1.186 262 A CA 2.068 54.194 52.037 0.148 0.000 0.616 262 A CB -0.773 18.289 19.000 0.103 0.000 0.823 262 A HN 0.345 nan 8.150 nan 0.000 0.442 263 R N -1.131 119.451 120.500 0.136 0.000 2.073 263 R HA -0.072 4.269 4.340 0.001 0.000 0.234 263 R C 2.327 178.694 176.300 0.111 0.000 1.134 263 R CA 2.779 58.943 56.100 0.107 0.000 0.952 263 R CB -1.946 28.393 30.300 0.066 0.000 0.850 263 R HN 0.826 nan 8.270 nan 0.000 0.433 264 E N -0.512 119.758 120.200 0.118 0.000 2.058 264 E HA -0.224 4.126 4.350 0.001 0.000 0.194 264 E C 1.853 178.536 176.600 0.138 0.000 0.997 264 E CA 1.461 57.923 56.400 0.103 0.000 0.801 264 E CB -1.080 28.678 29.700 0.097 0.000 0.746 264 E HN 0.891 nan 8.360 nan 0.000 0.450 265 W N 0.130 121.440 121.300 0.018 0.000 2.338 265 W HA -0.097 4.564 4.660 0.001 0.000 0.304 265 W C 2.087 178.611 176.519 0.009 0.000 1.212 265 W CA 2.105 59.464 57.345 0.023 0.000 1.264 265 W CB -0.241 29.245 29.460 0.042 0.000 1.142 265 W HN 0.333 nan 8.180 nan 0.000 0.512 266 L N 1.812 123.157 121.223 0.204 0.000 2.068 266 L HA 0.046 4.386 4.340 0.001 0.000 0.204 266 L C 2.830 179.624 176.870 -0.127 0.000 1.076 266 L CA 3.123 57.961 54.840 -0.003 0.000 0.753 266 L CB -1.718 40.420 42.059 0.132 0.000 0.910 266 L HN 0.034 nan 8.230 nan 0.000 0.439 267 R N 0.191 120.659 120.500 -0.054 0.000 2.117 267 R HA -0.091 4.250 4.340 0.001 0.000 0.243 267 R C 2.258 178.495 176.300 -0.105 0.000 1.143 267 R CA 2.003 58.063 56.100 -0.067 0.000 0.968 267 R CB -2.093 28.191 30.300 -0.028 0.000 0.863 267 R HN 0.697 nan 8.270 nan 0.000 0.444 268 A N 0.580 123.321 122.820 -0.132 0.000 1.930 268 A HA -0.069 4.252 4.320 0.001 0.000 0.217 268 A C 2.320 179.769 177.584 -0.224 0.000 1.175 268 A CA 1.568 53.511 52.037 -0.157 0.000 0.627 268 A CB -0.214 18.698 19.000 -0.147 0.000 0.815 268 A HN 0.543 nan 8.150 nan 0.000 0.443 269 K N -0.576 119.611 120.400 -0.355 0.000 2.155 269 K HA 0.040 4.361 4.320 0.001 0.000 0.203 269 K C 1.821 178.283 176.600 -0.230 0.000 1.052 269 K CA 0.918 56.980 56.287 -0.375 0.000 0.948 269 K CB -0.259 31.868 32.500 -0.622 0.000 0.728 269 K HN 0.481 nan 8.250 nan 0.000 0.448 270 L N 0.157 121.264 121.223 -0.193 0.000 2.044 270 L HA -0.127 4.213 4.340 0.001 0.000 0.205 270 L C 2.491 179.301 176.870 -0.100 0.000 1.075 270 L CA 1.035 55.795 54.840 -0.132 0.000 0.747 270 L CB -0.490 41.498 42.059 -0.117 0.000 0.903 270 L HN 0.139 nan 8.230 nan 0.000 0.435 271 A N 0.027 122.789 122.820 -0.095 0.000 2.024 271 A HA -0.192 4.129 4.320 0.001 0.000 0.220 271 A C 2.237 179.779 177.584 -0.070 0.000 1.164 271 A CA 1.373 53.367 52.037 -0.072 0.000 0.643 271 A CB -0.481 18.480 19.000 -0.065 0.000 0.806 271 A HN 0.361 nan 8.150 nan 0.000 0.451 272 R N -1.328 119.119 120.500 -0.088 0.000 2.313 272 R HA 0.200 4.540 4.340 0.001 0.000 0.199 272 R C 0.825 177.086 176.300 -0.066 0.000 0.958 272 R CA 0.732 56.786 56.100 -0.077 0.000 1.047 272 R CB -0.449 29.796 30.300 -0.093 0.000 0.955 272 R HN 0.505 nan 8.270 nan 0.000 0.481 273 K N 1.444 121.803 120.400 -0.067 0.000 3.162 273 K HA -0.230 4.090 4.320 0.001 0.000 0.268 273 K C -0.474 176.096 176.600 -0.050 0.000 1.062 273 K CA 1.780 58.034 56.287 -0.054 0.000 0.769 273 K CB -2.748 29.729 32.500 -0.039 0.000 1.274 273 K HN 0.562 nan 8.250 nan 0.000 0.478 274 E N -0.006 120.154 120.200 -0.067 0.000 2.212 274 E HA 0.381 4.732 4.350 0.001 0.000 0.270 274 E C -0.275 176.300 176.600 -0.041 0.000 0.956 274 E CA -1.163 55.205 56.400 -0.054 0.000 0.825 274 E CB 1.281 30.935 29.700 -0.076 0.000 1.167 274 E HN 0.351 nan 8.360 nan 0.000 0.400 275 K N 1.732 122.130 120.400 -0.004 0.000 2.326 275 K HA 0.167 4.488 4.320 0.001 0.000 0.275 275 K C -0.334 176.294 176.600 0.047 0.000 1.018 275 K CA -0.233 56.070 56.287 0.027 0.000 0.962 275 K CB 0.505 33.039 32.500 0.058 0.000 0.953 275 K HN 0.319 nan 8.250 nan 0.000 0.475 276 I N 4.868 125.475 120.570 0.062 0.000 2.297 276 I HA 0.132 4.303 4.170 0.001 0.000 0.291 276 I C 0.526 176.801 176.117 0.263 0.000 1.033 276 I CA -0.579 60.797 61.300 0.126 0.000 1.253 276 I CB 0.703 38.686 38.000 -0.028 0.000 1.396 276 I HN 0.458 nan 8.210 nan 0.000 0.476 277 M N 4.266 124.045 119.600 0.297 0.000 2.251 277 M HA 0.128 4.608 4.480 0.001 0.000 0.343 277 M C 1.319 177.827 176.300 0.346 0.000 1.245 277 M CA 0.641 56.122 55.300 0.301 0.000 1.061 277 M CB -0.257 32.522 32.600 0.298 0.000 1.723 277 M HN 0.923 nan 8.290 nan 0.000 0.449 278 G N 2.898 111.838 108.800 0.233 0.000 2.141 278 G HA2 -0.246 3.714 3.960 0.001 0.000 0.242 278 G HA3 -0.246 3.714 3.960 0.001 0.000 0.242 278 G C -0.441 174.228 174.900 -0.386 0.000 0.982 278 G CA -0.407 44.721 45.100 0.046 0.000 0.662 278 G HN 0.568 nan 8.290 nan 0.000 0.527 279 F N 0.079 120.011 119.950 -0.031 0.000 2.556 279 F HA 0.661 5.188 4.527 0.001 0.000 0.314 279 F C 0.660 176.479 175.800 0.031 0.000 1.106 279 F CA 0.018 57.981 58.000 -0.062 0.000 0.911 279 F CB 2.358 41.273 39.000 -0.143 0.000 1.190 279 F HN 1.046 nan 8.300 nan 0.000 0.448 280 G N 2.040 110.972 108.800 0.220 0.000 2.617 280 G HA2 0.232 4.192 3.960 0.001 0.000 0.686 280 G HA3 0.232 4.192 3.960 0.001 0.000 0.686 280 G C -2.110 172.944 174.900 0.256 0.000 1.214 280 G CA -0.972 44.247 45.100 0.199 0.000 0.796 280 G HN 1.025 nan 8.290 nan 0.000 0.654 281 H N 0.534 119.674 119.070 0.116 0.000 3.068 281 H HA 0.464 5.020 4.556 0.001 0.000 0.342 281 H C 1.133 176.502 175.328 0.067 0.000 1.284 281 H CA -0.468 55.657 56.048 0.128 0.000 1.181 281 H CB 2.007 31.905 29.762 0.226 0.000 1.898 281 H HN 0.603 nan 8.280 nan 0.000 0.540 282 R N 1.924 122.338 120.500 -0.144 0.000 2.115 282 R HA 0.003 4.344 4.340 0.001 0.000 0.226 282 R C 0.781 177.120 176.300 0.065 0.000 1.100 282 R CA 2.015 58.084 56.100 -0.052 0.000 0.980 282 R CB -0.342 29.874 30.300 -0.140 0.000 0.875 282 R HN 0.344 nan 8.270 nan 0.000 0.445 283 V N -1.045 119.043 119.914 0.289 0.000 2.484 283 V HA 0.124 4.244 4.120 0.001 0.000 0.236 283 V C 0.307 176.400 176.094 -0.001 0.000 1.062 283 V CA 0.247 62.587 62.300 0.066 0.000 1.081 283 V CB -0.543 31.198 31.823 -0.138 0.000 0.751 283 V HN 0.009 nan 8.190 nan 0.000 0.484 284 Y N 1.537 121.890 120.300 0.089 0.000 2.511 284 Y HA 0.245 4.796 4.550 0.001 0.000 0.332 284 Y C 1.477 177.344 175.900 -0.055 0.000 1.177 284 Y CA 0.167 58.228 58.100 -0.064 0.000 1.422 284 Y CB 0.278 38.625 38.460 -0.188 0.000 1.271 284 Y HN 0.015 nan 8.280 nan 0.000 0.550 285 R N 0.953 121.449 120.500 -0.007 0.000 2.513 285 R HA 0.122 4.462 4.340 0.001 0.000 0.245 285 R C -0.207 175.876 176.300 -0.362 0.000 0.908 285 R CA 0.267 56.220 56.100 -0.246 0.000 1.023 285 R CB 0.310 30.335 30.300 -0.459 0.000 1.338 285 R HN 0.877 nan 8.270 nan 0.000 0.575 286 H N -0.679 118.448 119.070 0.095 0.000 2.637 286 H HA 0.417 4.973 4.556 0.001 0.000 0.245 286 H C -0.121 175.215 175.328 0.013 0.000 1.190 286 H CA 0.136 56.215 56.048 0.052 0.000 0.934 286 H CB 1.436 31.225 29.762 0.045 0.000 1.950 286 H HN 0.279 nan 8.280 nan 0.000 0.614 287 G N 1.180 110.008 108.800 0.046 0.000 3.014 287 G HA2 -0.173 3.788 3.960 0.001 0.000 0.683 287 G HA3 -0.173 3.788 3.960 0.001 0.000 0.683 287 G C -1.427 173.240 174.900 -0.390 0.000 1.271 287 G CA -1.038 44.007 45.100 -0.092 0.000 0.843 287 G HN 0.232 nan 8.290 nan 0.000 0.612 288 D N 1.650 121.699 120.400 -0.586 0.000 2.358 288 D HA 0.324 4.964 4.640 0.001 0.000 0.258 288 D C 1.916 177.770 176.300 -0.743 0.000 1.223 288 D CA 0.471 53.757 54.000 -1.189 0.000 0.886 288 D CB 0.988 41.425 40.800 -0.606 0.000 1.120 288 D HN 0.640 nan 8.370 nan 0.000 0.482 289 S N 3.664 118.897 115.700 -0.777 0.000 2.547 289 S HA -0.104 4.366 4.470 0.001 0.000 0.235 289 S C 1.432 175.927 174.600 -0.175 0.000 0.980 289 S CA 0.478 58.519 58.200 -0.266 0.000 0.941 289 S CB 0.049 63.218 63.200 -0.053 0.000 0.763 289 S HN 0.513 nan 8.310 nan 0.000 0.532 290 R N 0.048 120.423 120.500 -0.208 0.000 2.265 290 R HA 0.293 4.633 4.340 0.001 0.000 0.194 290 R C 1.839 178.038 176.300 -0.168 0.000 0.931 290 R CA 0.391 56.399 56.100 -0.154 0.000 1.032 290 R CB -0.251 29.969 30.300 -0.134 0.000 0.980 290 R HN 0.281 nan 8.270 nan 0.000 0.497 291 V N 1.869 121.679 119.914 -0.175 0.000 2.307 291 V HA -0.126 3.994 4.120 0.001 0.000 0.245 291 V C -0.948 175.091 176.094 -0.092 0.000 1.045 291 V CA 1.806 64.034 62.300 -0.121 0.000 1.024 291 V CB -0.760 31.012 31.823 -0.086 0.000 0.651 291 V HN 0.166 nan 8.190 nan 0.000 0.449 292 P HA -0.111 nan 4.420 nan 0.000 0.215 292 P C 1.811 179.058 177.300 -0.087 0.000 1.153 292 P CA 1.655 64.714 63.100 -0.069 0.000 0.853 292 P CB -0.213 31.452 31.700 -0.059 0.000 0.788 293 T N -0.770 113.724 114.554 -0.099 0.000 2.684 293 T HA -0.195 4.155 4.350 0.001 0.000 0.267 293 T C 1.748 176.373 174.700 -0.124 0.000 1.036 293 T CA 1.660 63.697 62.100 -0.104 0.000 1.148 293 T CB -0.673 68.129 68.868 -0.109 0.000 0.863 293 T HN 0.037 nan 8.240 nan 0.000 0.436 294 M N 0.852 120.360 119.600 -0.152 0.000 2.319 294 M HA 0.141 4.622 4.480 0.001 0.000 0.265 294 M C 2.013 178.203 176.300 -0.184 0.000 1.068 294 M CA 1.359 56.549 55.300 -0.184 0.000 1.118 294 M CB -0.238 32.215 32.600 -0.245 0.000 1.395 294 M HN 0.002 nan 8.290 nan 0.000 0.435 295 K N -0.405 119.893 120.400 -0.170 0.000 2.026 295 K HA -0.173 4.148 4.320 0.001 0.000 0.208 295 K C 2.088 178.569 176.600 -0.199 0.000 1.048 295 K CA 1.460 57.607 56.287 -0.233 0.000 0.929 295 K CB -0.052 32.344 32.500 -0.172 0.000 0.713 295 K HN 0.321 nan 8.250 nan 0.000 0.439 296 R N -0.071 120.348 120.500 -0.135 0.000 2.083 296 R HA -0.139 4.201 4.340 0.001 0.000 0.237 296 R C 2.399 178.639 176.300 -0.100 0.000 1.137 296 R CA 1.393 57.430 56.100 -0.105 0.000 0.951 296 R CB -0.396 29.857 30.300 -0.078 0.000 0.851 296 R HN 0.256 nan 8.270 nan 0.000 0.434 297 A N 1.323 124.081 122.820 -0.103 0.000 1.902 297 A HA -0.170 4.150 4.320 0.001 0.000 0.217 297 A C 2.111 179.645 177.584 -0.083 0.000 1.181 297 A CA 1.168 53.156 52.037 -0.081 0.000 0.623 297 A CB -0.507 18.446 19.000 -0.080 0.000 0.818 297 A HN 0.271 nan 8.150 nan 0.000 0.443 298 L N 0.110 121.257 121.223 -0.127 0.000 2.042 298 L HA -0.184 4.157 4.340 0.001 0.000 0.210 298 L C 2.089 178.894 176.870 -0.109 0.000 1.076 298 L CA 2.612 57.372 54.840 -0.134 0.000 0.749 298 L CB -0.676 41.242 42.059 -0.234 0.000 0.893 298 L HN 0.530 nan 8.230 nan 0.000 0.432 299 E N -0.815 119.309 120.200 -0.126 0.000 2.072 299 E HA -0.192 4.159 4.350 0.001 0.000 0.191 299 E C 2.316 178.881 176.600 -0.058 0.000 0.985 299 E CA 1.040 57.384 56.400 -0.094 0.000 0.801 299 E CB -0.130 29.510 29.700 -0.101 0.000 0.750 299 E HN 0.447 nan 8.360 nan 0.000 0.452 300 R N 0.316 120.783 120.500 -0.055 0.000 2.083 300 R HA -0.147 4.193 4.340 0.001 0.000 0.237 300 R C 2.388 178.670 176.300 -0.031 0.000 1.137 300 R CA 1.373 57.449 56.100 -0.039 0.000 0.951 300 R CB -0.410 29.869 30.300 -0.035 0.000 0.851 300 R HN 0.079 nan 8.270 nan 0.000 0.434 301 V N -0.100 119.796 119.914 -0.029 0.000 2.515 301 V HA -0.136 3.985 4.120 0.001 0.000 0.250 301 V C 2.282 178.371 176.094 -0.009 0.000 1.058 301 V CA 2.005 64.293 62.300 -0.020 0.000 1.064 301 V CB -0.643 31.173 31.823 -0.012 0.000 0.675 301 V HN 0.571 nan 8.190 nan 0.000 0.461 302 G N 0.016 108.815 108.800 -0.003 0.000 2.471 302 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 302 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 302 G C 1.703 176.603 174.900 0.000 0.000 1.125 302 G CA 1.508 46.619 45.100 0.019 0.000 0.775 302 G HN 0.590 nan 8.290 nan 0.000 0.548 303 T N -2.258 112.287 114.554 -0.016 0.000 3.044 303 T HA 0.099 4.449 4.350 0.001 0.000 0.255 303 T C 2.096 176.783 174.700 -0.022 0.000 1.073 303 T CA 0.896 62.983 62.100 -0.020 0.000 1.125 303 T CB 0.196 69.049 68.868 -0.024 0.000 0.908 303 T HN -0.022 nan 8.240 nan 0.000 0.480 304 V N 0.941 120.840 119.914 -0.025 0.000 3.235 304 V HA 0.288 4.409 4.120 0.001 0.000 0.259 304 V C 2.093 178.165 176.094 -0.036 0.000 1.133 304 V CA 0.773 63.054 62.300 -0.032 0.000 1.128 304 V CB -0.523 31.278 31.823 -0.037 0.000 0.757 304 V HN 0.408 nan 8.190 nan 0.000 0.469 305 R N -0.144 120.340 120.500 -0.026 0.000 2.629 305 R HA 0.192 4.532 4.340 0.001 0.000 0.408 305 R C -0.151 176.151 176.300 0.003 0.000 1.057 305 R CA -0.002 56.082 56.100 -0.026 0.000 1.119 305 R CB 0.286 30.561 30.300 -0.042 0.000 1.403 305 R HN 0.363 nan 8.270 nan 0.000 0.576 306 D N 0.363 120.763 120.400 -0.000 0.000 2.760 306 D HA -0.130 4.510 4.640 0.001 0.000 0.244 306 D C 0.401 176.715 176.300 0.023 0.000 1.123 306 D CA 1.096 55.094 54.000 -0.003 0.000 0.719 306 D CB -0.973 39.820 40.800 -0.011 0.000 1.045 306 D HN 0.534 nan 8.370 nan 0.000 0.426 307 G N 0.485 109.311 108.800 0.042 0.000 3.774 307 G HA2 0.120 4.080 3.960 0.001 0.000 0.287 307 G HA3 0.120 4.080 3.960 0.001 0.000 0.287 307 G C 0.979 175.876 174.900 -0.005 0.000 1.030 307 G CA 0.284 45.450 45.100 0.110 0.000 0.824 307 G HN 0.259 nan 8.290 nan 0.000 0.518 308 Q N 1.108 120.865 119.800 -0.071 0.000 2.152 308 Q HA -0.117 4.223 4.340 0.001 0.000 0.206 308 Q C 2.402 178.310 176.000 -0.154 0.000 0.985 308 Q CA 1.730 57.483 55.803 -0.084 0.000 0.863 308 Q CB -0.243 28.449 28.738 -0.077 0.000 0.904 308 Q HN 0.569 nan 8.270 nan 0.000 0.422 309 R N -1.010 119.291 120.500 -0.332 0.000 2.112 309 R HA -0.214 4.126 4.340 0.001 0.000 0.242 309 R C 1.896 177.961 176.300 -0.392 0.000 1.137 309 R CA 2.290 58.083 56.100 -0.512 0.000 0.944 309 R CB -0.639 29.108 30.300 -0.921 0.000 0.857 309 R HN 0.457 nan 8.270 nan 0.000 0.435 310 W N 0.575 121.875 121.300 -0.000 0.000 2.418 310 W HA 0.020 4.681 4.660 0.001 0.000 0.292 310 W C 2.026 178.552 176.519 0.011 0.000 1.213 310 W CA -0.047 57.293 57.345 -0.009 0.000 1.283 310 W CB -0.275 29.175 29.460 -0.017 0.000 1.119 310 W HN 0.069 nan 8.180 nan 0.000 0.542 311 L N 0.459 121.776 121.223 0.157 0.000 2.043 311 L HA -0.251 4.089 4.340 0.001 0.000 0.212 311 L C 1.994 178.944 176.870 0.133 0.000 1.075 311 L CA 1.338 56.228 54.840 0.084 0.000 0.752 311 L CB -0.885 41.182 42.059 0.014 0.000 0.891 311 L HN -0.004 nan 8.230 nan 0.000 0.432 312 D N 0.268 120.718 120.400 0.083 0.000 2.103 312 D HA -0.111 4.530 4.640 0.001 0.000 0.199 312 D C 2.329 178.708 176.300 0.131 0.000 0.978 312 D CA 1.122 55.171 54.000 0.081 0.000 0.829 312 D CB -0.140 40.668 40.800 0.013 0.000 0.981 312 D HN 0.296 nan 8.370 nan 0.000 0.464 313 I N 0.273 120.924 120.570 0.134 0.000 2.208 313 I HA -0.325 3.846 4.170 0.001 0.000 0.245 313 I C 2.375 178.650 176.117 0.263 0.000 1.097 313 I CA 1.062 62.465 61.300 0.171 0.000 1.363 313 I CB -0.330 37.782 38.000 0.186 0.000 1.051 313 I HN -0.008 nan 8.210 nan 0.000 0.413 314 Y N 1.584 121.972 120.300 0.147 0.000 2.081 314 Y HA -0.354 4.197 4.550 0.001 0.000 0.280 314 Y C 2.832 178.903 175.900 0.285 0.000 1.163 314 Y CA 2.070 60.280 58.100 0.183 0.000 1.135 314 Y CB -0.430 38.025 38.460 -0.008 0.000 0.970 314 Y HN 0.148 nan 8.280 nan 0.000 0.498 315 Q N 0.015 120.076 119.800 0.436 0.000 2.030 315 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 315 Q C 2.329 178.454 176.000 0.209 0.000 0.986 315 Q CA 2.345 58.336 55.803 0.314 0.000 0.843 315 Q CB -0.624 28.241 28.738 0.212 0.000 0.904 315 Q HN 0.464 nan 8.270 nan 0.000 0.420 316 V N 1.327 121.345 119.914 0.173 0.000 2.287 316 V HA -0.269 3.851 4.120 0.001 0.000 0.248 316 V C 2.538 178.709 176.094 0.128 0.000 1.053 316 V CA 1.522 63.899 62.300 0.128 0.000 1.027 316 V CB -0.653 31.235 31.823 0.108 0.000 0.646 316 V HN 0.285 nan 8.190 nan 0.000 0.447 317 L N 0.257 121.587 121.223 0.178 0.000 2.093 317 L HA -0.030 4.311 4.340 0.001 0.000 0.208 317 L C 2.430 179.348 176.870 0.081 0.000 1.085 317 L CA 2.176 57.113 54.840 0.163 0.000 0.755 317 L CB -1.095 41.164 42.059 0.332 0.000 0.904 317 L HN 0.274 nan 8.230 nan 0.000 0.435 318 A N -1.110 121.808 122.820 0.163 0.000 1.897 318 A HA -0.009 4.311 4.320 0.001 0.000 0.215 318 A C 2.432 180.069 177.584 0.090 0.000 1.181 318 A CA 1.419 53.551 52.037 0.159 0.000 0.620 318 A CB -0.906 18.173 19.000 0.132 0.000 0.821 318 A HN 0.424 nan 8.150 nan 0.000 0.443 319 A N -0.606 122.268 122.820 0.089 0.000 1.902 319 A HA 0.066 4.387 4.320 0.001 0.000 0.217 319 A C 2.164 179.761 177.584 0.022 0.000 1.181 319 A CA 2.383 54.457 52.037 0.062 0.000 0.623 319 A CB -1.056 17.987 19.000 0.071 0.000 0.818 319 A HN 0.713 nan 8.150 nan 0.000 0.443 320 E N -0.923 119.281 120.200 0.008 0.000 2.047 320 E HA -0.153 4.197 4.350 0.001 0.000 0.191 320 E C 1.932 178.483 176.600 -0.082 0.000 0.987 320 E CA 1.655 58.041 56.400 -0.023 0.000 0.799 320 E CB -0.643 29.052 29.700 -0.008 0.000 0.752 320 E HN 0.473 nan 8.360 nan 0.000 0.449 321 M N 0.201 119.700 119.600 -0.170 0.000 2.149 321 M HA -0.002 4.479 4.480 0.001 0.000 0.261 321 M C 2.680 178.898 176.300 -0.137 0.000 1.064 321 M CA 1.686 56.813 55.300 -0.288 0.000 1.102 321 M CB -0.992 31.182 32.600 -0.711 0.000 1.369 321 M HN 0.507 nan 8.290 nan 0.000 0.408 322 A N -0.156 122.634 122.820 -0.051 0.000 1.898 322 A HA -0.132 4.188 4.320 0.001 0.000 0.216 322 A C 2.388 179.970 177.584 -0.004 0.000 1.181 322 A CA 2.281 54.319 52.037 0.001 0.000 0.620 322 A CB -0.853 18.169 19.000 0.038 0.000 0.819 322 A HN 0.596 nan 8.150 nan 0.000 0.442 323 S N 0.009 115.703 115.700 -0.009 0.000 2.371 323 S HA 0.109 4.579 4.470 0.001 0.000 0.224 323 S C 2.057 176.646 174.600 -0.019 0.000 1.029 323 S CA 1.316 59.512 58.200 -0.007 0.000 0.978 323 S CB -0.526 62.673 63.200 -0.002 0.000 0.833 323 S HN 0.854 nan 8.310 nan 0.000 0.466 324 A N 1.097 123.894 122.820 -0.038 0.000 2.016 324 A HA 0.166 4.486 4.320 0.001 0.000 0.217 324 A C 2.319 179.875 177.584 -0.048 0.000 1.162 324 A CA 1.657 53.667 52.037 -0.046 0.000 0.662 324 A CB -0.634 18.328 19.000 -0.063 0.000 0.812 324 A HN 0.837 nan 8.150 nan 0.000 0.450 325 T N -7.307 107.215 114.554 -0.052 0.000 3.028 325 T HA 0.415 4.765 4.350 0.001 0.000 0.262 325 T C 1.464 176.157 174.700 -0.013 0.000 0.916 325 T CA 1.139 63.214 62.100 -0.042 0.000 0.873 325 T CB 0.196 69.021 68.868 -0.071 0.000 1.232 325 T HN 1.701 nan 8.240 nan 0.000 0.529 326 G N 1.946 110.744 108.800 -0.003 0.000 2.212 326 G HA2 -0.229 3.732 3.960 0.001 0.000 0.266 326 G HA3 -0.229 3.732 3.960 0.001 0.000 0.266 326 G C 0.061 174.992 174.900 0.050 0.000 0.978 326 G CA 0.308 45.425 45.100 0.028 0.000 0.632 326 G HN 0.717 nan 8.290 nan 0.000 0.537 327 I N 1.759 122.354 120.570 0.042 0.000 2.471 327 I HA 0.354 4.525 4.170 0.001 0.000 0.286 327 I C 1.082 177.304 176.117 0.175 0.000 1.079 327 I CA -0.480 60.878 61.300 0.095 0.000 1.398 327 I CB 0.776 38.830 38.000 0.090 0.000 1.403 327 I HN 0.019 nan 8.210 nan 0.000 0.530 328 L N 7.673 128.997 121.223 0.168 0.000 2.399 328 L HA 0.457 4.797 4.340 0.001 0.000 0.265 328 L C -2.217 174.692 176.870 0.065 0.000 1.089 328 L CA -1.958 52.969 54.840 0.145 0.000 0.802 328 L CB 0.491 42.592 42.059 0.070 0.000 1.180 328 L HN 0.293 nan 8.230 nan 0.000 0.454 329 P HA 0.075 nan 4.420 nan 0.000 0.271 329 P C -1.371 175.772 177.300 -0.262 0.000 1.216 329 P CA -0.353 62.359 63.100 -0.648 0.000 0.776 329 P CB 0.358 31.735 31.700 -0.539 0.000 0.881 330 N N 2.227 120.800 118.700 -0.211 0.000 2.491 330 N HA 0.129 4.870 4.740 0.001 0.000 0.279 330 N C 0.697 176.194 175.510 -0.021 0.000 1.236 330 N CA -0.673 52.356 53.050 -0.036 0.000 0.982 330 N CB -0.319 38.258 38.487 0.151 0.000 1.194 330 N HN 0.123 nan 8.380 nan 0.000 0.582 331 L N -0.418 120.796 121.223 -0.015 0.000 2.127 331 L HA -0.089 4.251 4.340 0.001 0.000 0.211 331 L C 0.742 177.568 176.870 -0.073 0.000 1.089 331 L CA 1.869 56.656 54.840 -0.088 0.000 0.757 331 L CB -1.026 40.940 42.059 -0.155 0.000 0.899 331 L HN 0.562 nan 8.230 nan 0.000 0.434 332 D N -1.376 119.058 120.400 0.057 0.000 2.350 332 D HA -0.181 4.459 4.640 0.001 0.000 0.216 332 D C 1.824 178.182 176.300 0.096 0.000 0.968 332 D CA 0.774 54.833 54.000 0.098 0.000 0.894 332 D CB -0.054 40.872 40.800 0.211 0.000 0.909 332 D HN 0.404 nan 8.370 nan 0.000 0.520 333 F N 1.887 121.780 119.950 -0.095 0.000 2.147 333 F HA 0.031 4.558 4.527 0.001 0.000 0.291 333 F C -0.934 174.904 175.800 0.065 0.000 1.093 333 F CA 0.272 58.212 58.000 -0.101 0.000 1.263 333 F CB -0.844 37.935 39.000 -0.368 0.000 1.036 333 F HN -0.080 nan 8.300 nan 0.000 0.481 334 P HA -0.038 nan 4.420 nan 0.000 0.227 334 P C 1.422 178.578 177.300 -0.241 0.000 1.161 334 P CA 1.424 64.478 63.100 -0.076 0.000 0.788 334 P CB -0.223 31.429 31.700 -0.080 0.000 0.822 335 T N -0.139 114.235 114.554 -0.300 0.000 2.788 335 T HA -0.074 4.276 4.350 0.001 0.000 0.268 335 T C 2.085 176.459 174.700 -0.543 0.000 1.044 335 T CA 1.841 63.621 62.100 -0.533 0.000 1.139 335 T CB -1.075 67.379 68.868 -0.690 0.000 0.867 335 T HN 0.171 nan 8.240 nan 0.000 0.454 336 G N 2.717 111.342 108.800 -0.291 0.000 2.545 336 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 336 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 336 G C -0.423 174.429 174.900 -0.081 0.000 1.218 336 G CA 0.893 45.928 45.100 -0.107 0.000 0.787 336 G HN 0.422 nan 8.290 nan 0.000 0.571 337 P HA 0.026 nan 4.420 nan 0.000 0.221 337 P C 1.915 179.185 177.300 -0.050 0.000 1.150 337 P CA 1.707 64.705 63.100 -0.170 0.000 0.800 337 P CB -0.060 31.537 31.700 -0.171 0.000 0.787 338 A N -0.308 122.457 122.820 -0.092 0.000 1.855 338 A HA -0.207 4.114 4.320 0.001 0.000 0.215 338 A C 2.268 179.930 177.584 0.129 0.000 1.191 338 A CA 1.238 53.265 52.037 -0.016 0.000 0.613 338 A CB -1.868 17.087 19.000 -0.076 0.000 0.829 338 A HN 0.018 nan 8.150 nan 0.000 0.442 339 Y N -1.559 118.658 120.300 -0.138 0.000 2.165 339 Y HA -0.238 4.313 4.550 0.001 0.000 0.286 339 Y C 2.327 178.250 175.900 0.037 0.000 1.155 339 Y CA 0.874 58.904 58.100 -0.117 0.000 1.164 339 Y CB -1.406 36.533 38.460 -0.868 0.000 0.978 339 Y HN 0.536 nan 8.280 nan 0.000 0.513 340 Y N 0.101 120.507 120.300 0.176 0.000 2.128 340 Y HA -0.251 4.299 4.550 0.001 0.000 0.284 340 Y C 2.285 178.211 175.900 0.043 0.000 1.154 340 Y CA 1.618 59.856 58.100 0.229 0.000 1.149 340 Y CB -0.654 37.808 38.460 0.002 0.000 0.976 340 Y HN 0.032 nan 8.280 nan 0.000 0.505 341 L N -0.683 120.578 121.223 0.064 0.000 2.141 341 L HA -0.241 4.100 4.340 0.001 0.000 0.209 341 L C 2.366 179.139 176.870 -0.161 0.000 1.094 341 L CA 1.237 56.068 54.840 -0.016 0.000 0.763 341 L CB -0.406 41.704 42.059 0.086 0.000 0.908 341 L HN 0.312 nan 8.230 nan 0.000 0.437 342 M N -1.034 118.451 119.600 -0.192 0.000 2.460 342 M HA -0.039 4.441 4.480 0.001 0.000 0.263 342 M C 1.463 177.363 176.300 -0.667 0.000 1.071 342 M CA 1.329 56.378 55.300 -0.418 0.000 1.096 342 M CB -0.173 32.158 32.600 -0.447 0.000 1.408 342 M HN 0.459 nan 8.290 nan 0.000 0.463 343 G N -0.388 108.127 108.800 -0.475 0.000 2.168 343 G HA2 -0.193 3.768 3.960 0.001 0.000 0.197 343 G HA3 -0.193 3.768 3.960 0.001 0.000 0.197 343 G C -0.141 174.772 174.900 0.020 0.000 0.997 343 G CA -0.762 44.123 45.100 -0.359 0.000 0.658 343 G HN 0.270 nan 8.290 nan 0.000 0.513 344 F N 2.204 122.304 119.950 0.250 0.000 2.471 344 F HA 0.377 4.904 4.527 0.001 0.000 0.353 344 F C 0.991 176.974 175.800 0.305 0.000 1.113 344 F CA -1.232 56.938 58.000 0.284 0.000 1.262 344 F CB 0.457 39.637 39.000 0.300 0.000 1.146 344 F HN -0.051 nan 8.300 nan 0.000 0.578 345 D N 3.041 123.665 120.400 0.373 0.000 2.458 345 D HA 0.033 4.674 4.640 0.001 0.000 0.243 345 D C 1.701 178.014 176.300 0.023 0.000 1.146 345 D CA 0.367 54.468 54.000 0.168 0.000 0.877 345 D CB 0.952 41.800 40.800 0.078 0.000 1.176 345 D HN 0.477 nan 8.370 nan 0.000 0.461 346 I N 2.253 122.628 120.570 -0.325 0.000 2.185 346 I HA -0.348 3.823 4.170 0.001 0.000 0.246 346 I C 2.343 177.994 176.117 -0.775 0.000 1.088 346 I CA 1.287 61.897 61.300 -1.150 0.000 1.347 346 I CB -0.137 37.385 38.000 -0.796 0.000 1.041 346 I HN 0.408 nan 8.210 nan 0.000 0.415 347 A N -0.590 122.054 122.820 -0.294 0.000 2.121 347 A HA -0.108 4.213 4.320 0.001 0.000 0.218 347 A C 2.270 179.790 177.584 -0.108 0.000 1.154 347 A CA 1.510 53.441 52.037 -0.176 0.000 0.679 347 A CB -0.393 18.504 19.000 -0.172 0.000 0.795 347 A HN 0.380 nan 8.150 nan 0.000 0.458 348 S N -0.609 115.096 115.700 0.009 0.000 2.593 348 S HA 0.139 4.609 4.470 0.001 0.000 0.217 348 S C 1.059 175.856 174.600 0.329 0.000 0.966 348 S CA -0.204 58.075 58.200 0.132 0.000 0.914 348 S CB -0.384 62.888 63.200 0.120 0.000 0.776 348 S HN 0.523 nan 8.310 nan 0.000 0.523 349 F N 2.633 122.673 119.950 0.151 0.000 2.134 349 F HA -0.084 4.443 4.527 0.001 0.000 0.299 349 F C 2.646 178.618 175.800 0.287 0.000 1.097 349 F CA 0.852 59.025 58.000 0.288 0.000 1.264 349 F CB -1.697 37.504 39.000 0.335 0.000 1.001 349 F HN 0.178 nan 8.300 nan 0.000 0.479 350 T N 0.260 115.072 114.554 0.429 0.000 2.812 350 T HA -0.070 4.280 4.350 0.001 0.000 0.264 350 T C -0.504 174.314 174.700 0.198 0.000 1.042 350 T CA 1.023 63.306 62.100 0.305 0.000 1.140 350 T CB -1.327 67.684 68.868 0.238 0.000 0.870 350 T HN 0.090 nan 8.240 nan 0.000 0.445 351 P HA -0.002 nan 4.420 nan 0.000 0.216 351 P C 1.381 178.700 177.300 0.031 0.000 1.150 351 P CA 0.910 64.067 63.100 0.094 0.000 0.843 351 P CB -0.200 31.552 31.700 0.086 0.000 0.787 352 I N -2.276 118.311 120.570 0.028 0.000 2.252 352 I HA -0.236 3.935 4.170 0.001 0.000 0.245 352 I C 2.217 178.366 176.117 0.053 0.000 1.102 352 I CA 1.027 62.268 61.300 -0.099 0.000 1.385 352 I CB -0.597 37.226 38.000 -0.294 0.000 1.064 352 I HN -0.100 nan 8.210 nan 0.000 0.414 353 F N 1.574 121.490 119.950 -0.057 0.000 2.126 353 F HA -0.202 4.325 4.527 0.001 0.000 0.299 353 F C 2.361 177.962 175.800 -0.332 0.000 1.096 353 F CA 1.410 59.214 58.000 -0.327 0.000 1.255 353 F CB -0.788 37.901 39.000 -0.519 0.000 0.997 353 F HN -0.165 nan 8.300 nan 0.000 0.479 354 V N 0.526 120.409 119.914 -0.051 0.000 2.332 354 V HA -0.374 3.746 4.120 0.001 0.000 0.248 354 V C 2.582 178.584 176.094 -0.154 0.000 1.055 354 V CA 2.213 64.400 62.300 -0.188 0.000 1.038 354 V CB -0.716 31.105 31.823 -0.005 0.000 0.651 354 V HN 0.310 nan 8.190 nan 0.000 0.450 355 M N -0.070 119.484 119.600 -0.077 0.000 2.144 355 M HA -0.224 4.257 4.480 0.001 0.000 0.260 355 M C 2.435 178.719 176.300 -0.027 0.000 1.067 355 M CA 2.373 57.648 55.300 -0.042 0.000 1.095 355 M CB -0.473 32.040 32.600 -0.145 0.000 1.365 355 M HN 0.458 nan 8.290 nan 0.000 0.406 356 S N -0.228 115.413 115.700 -0.098 0.000 2.362 356 S HA -0.101 4.370 4.470 0.001 0.000 0.221 356 S C 1.943 176.548 174.600 0.008 0.000 1.032 356 S CA 1.007 59.169 58.200 -0.063 0.000 0.973 356 S CB -0.092 63.074 63.200 -0.057 0.000 0.849 356 S HN 0.332 nan 8.310 nan 0.000 0.465 357 R N 0.864 121.249 120.500 -0.192 0.000 2.235 357 R HA 0.206 4.547 4.340 0.001 0.000 0.213 357 R C 1.808 177.657 176.300 -0.751 0.000 1.059 357 R CA 0.768 56.579 56.100 -0.481 0.000 0.997 357 R CB -1.245 28.620 30.300 -0.724 0.000 0.884 357 R HN 0.514 nan 8.270 nan 0.000 0.462 358 I N 0.831 121.105 120.570 -0.494 0.000 2.315 358 I HA -0.311 3.859 4.170 0.001 0.000 0.251 358 I C 1.619 177.810 176.117 0.124 0.000 1.125 358 I CA 2.187 63.439 61.300 -0.080 0.000 1.392 358 I CB -0.501 37.570 38.000 0.119 0.000 1.065 358 I HN 0.468 nan 8.210 nan 0.000 0.424 359 T N -2.324 112.228 114.554 -0.004 0.000 2.668 359 T HA -0.032 4.318 4.350 0.001 0.000 0.262 359 T C 2.126 176.825 174.700 -0.002 0.000 1.045 359 T CA 0.923 62.945 62.100 -0.130 0.000 1.152 359 T CB -1.688 66.850 68.868 -0.551 0.000 0.864 359 T HN 0.369 nan 8.240 nan 0.000 0.419 360 G N 0.435 109.204 108.800 -0.051 0.000 2.476 360 G HA2 -0.189 3.772 3.960 0.001 0.000 0.218 360 G HA3 -0.189 3.772 3.960 0.001 0.000 0.218 360 G C 1.413 176.555 174.900 0.402 0.000 1.164 360 G CA 0.820 45.988 45.100 0.114 0.000 0.768 360 G HN 0.495 nan 8.290 nan 0.000 0.560 361 W N 1.658 123.082 121.300 0.206 0.000 2.338 361 W HA -0.102 4.558 4.660 0.001 0.000 0.304 361 W C 3.014 179.649 176.519 0.194 0.000 1.212 361 W CA 2.247 59.695 57.345 0.171 0.000 1.264 361 W CB -1.421 28.095 29.460 0.093 0.000 1.142 361 W HN 0.386 nan 8.180 nan 0.000 0.512 362 T N -2.454 112.387 114.554 0.477 0.000 2.942 362 T HA 0.188 4.538 4.350 0.001 0.000 0.265 362 T C 1.992 176.875 174.700 0.305 0.000 1.062 362 T CA 1.270 63.574 62.100 0.340 0.000 1.139 362 T CB -0.631 68.431 68.868 0.323 0.000 0.883 362 T HN -0.006 nan 8.240 nan 0.000 0.468 363 A N 1.869 124.935 122.820 0.409 0.000 1.877 363 A HA -0.144 4.176 4.320 0.001 0.000 0.216 363 A C 2.342 179.997 177.584 0.118 0.000 1.186 363 A CA 1.397 53.594 52.037 0.266 0.000 0.620 363 A CB -1.098 18.005 19.000 0.171 0.000 0.822 363 A HN 0.643 nan 8.150 nan 0.000 0.443 364 H N -0.448 118.733 119.070 0.185 0.000 2.353 364 H HA -0.083 4.473 4.556 0.001 0.000 0.300 364 H C 2.162 177.534 175.328 0.074 0.000 1.090 364 H CA 1.883 58.018 56.048 0.146 0.000 1.327 364 H CB -0.205 29.659 29.762 0.170 0.000 1.383 364 H HN 0.482 nan 8.280 nan 0.000 0.508 365 I N 0.554 121.234 120.570 0.184 0.000 2.226 365 I HA -0.289 3.882 4.170 0.001 0.000 0.245 365 I C 2.655 178.790 176.117 0.031 0.000 1.100 365 I CA 1.086 62.426 61.300 0.066 0.000 1.374 365 I CB -0.200 37.824 38.000 0.039 0.000 1.057 365 I HN 0.181 nan 8.210 nan 0.000 0.413 366 M N -0.291 119.327 119.600 0.031 0.000 2.213 366 M HA -0.218 4.263 4.480 0.001 0.000 0.263 366 M C 2.231 178.535 176.300 0.007 0.000 1.062 366 M CA 1.599 56.897 55.300 -0.004 0.000 1.105 366 M CB -0.419 32.164 32.600 -0.028 0.000 1.385 366 M HN 0.246 nan 8.290 nan 0.000 0.417 367 E N 0.252 120.467 120.200 0.026 0.000 2.072 367 E HA -0.249 4.102 4.350 0.001 0.000 0.190 367 E C 2.017 178.638 176.600 0.035 0.000 0.982 367 E CA 1.096 57.512 56.400 0.027 0.000 0.803 367 E CB 0.129 29.843 29.700 0.023 0.000 0.755 367 E HN 0.322 nan 8.360 nan 0.000 0.453 368 Q N 0.522 120.345 119.800 0.038 0.000 2.084 368 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 368 Q C 1.802 177.802 176.000 -0.000 0.000 0.978 368 Q CA 2.020 57.833 55.803 0.016 0.000 0.844 368 Q CB -0.360 28.369 28.738 -0.015 0.000 0.898 368 Q HN 0.301 nan 8.270 nan 0.000 0.426 369 A N -0.576 122.240 122.820 -0.006 0.000 1.969 369 A HA -0.117 4.203 4.320 0.001 0.000 0.218 369 A C 2.177 179.756 177.584 -0.009 0.000 1.169 369 A CA 1.875 53.903 52.037 -0.015 0.000 0.635 369 A CB -0.933 18.054 19.000 -0.022 0.000 0.810 369 A HN 0.597 nan 8.150 nan 0.000 0.445 370 T N -4.200 110.352 114.554 -0.004 0.000 3.100 370 T HA 0.493 4.843 4.350 0.001 0.000 0.253 370 T C 0.579 175.283 174.700 0.006 0.000 1.118 370 T CA 0.808 62.907 62.100 -0.002 0.000 1.058 370 T CB 0.074 68.940 68.868 -0.004 0.000 0.953 370 T HN 0.819 nan 8.240 nan 0.000 0.515 371 A N 1.135 123.962 122.820 0.013 0.000 3.355 371 A HA 0.596 4.917 4.320 0.001 0.000 0.290 371 A C -0.329 177.267 177.584 0.019 0.000 0.973 371 A CA -0.797 51.252 52.037 0.019 0.000 0.933 371 A CB -0.212 18.806 19.000 0.031 0.000 1.138 371 A HN 0.334 nan 8.150 nan 0.000 0.490 372 N N 0.961 119.666 118.700 0.008 0.000 2.509 372 N HA 0.767 5.508 4.740 0.001 0.000 0.287 372 N C -0.398 175.113 175.510 0.002 0.000 1.121 372 N CA 0.546 53.596 53.050 0.001 0.000 0.977 372 N CB 1.380 39.861 38.487 -0.011 0.000 1.167 372 N HN 0.680 nan 8.380 nan 0.000 0.476 373 A N 2.094 124.914 122.820 -0.000 0.000 2.547 373 A HA 0.450 4.771 4.320 0.001 0.000 0.297 373 A C -1.312 176.265 177.584 -0.012 0.000 1.056 373 A CA -0.742 51.295 52.037 -0.001 0.000 0.688 373 A CB 0.760 19.767 19.000 0.012 0.000 1.282 373 A HN 0.700 nan 8.150 nan 0.000 0.400 374 L N 2.240 123.453 121.223 -0.016 0.000 2.578 374 L HA 0.228 4.569 4.340 0.001 0.000 0.279 374 L C -0.296 176.560 176.870 -0.022 0.000 1.227 374 L CA 0.768 55.592 54.840 -0.026 0.000 0.900 374 L CB -0.197 41.849 42.059 -0.021 0.000 1.144 374 L HN 0.483 nan 8.230 nan 0.000 0.496 375 I N 6.716 127.259 120.570 -0.044 0.000 2.281 375 I HA 0.337 4.507 4.170 0.001 0.000 0.293 375 I C 0.160 176.263 176.117 -0.024 0.000 1.085 375 I CA -0.200 61.081 61.300 -0.032 0.000 1.257 375 I CB -0.001 37.946 38.000 -0.088 0.000 1.430 375 I HN 0.506 nan 8.210 nan 0.000 0.489 376 R N 8.213 128.715 120.500 0.004 0.000 2.797 376 R HA 0.422 4.763 4.340 0.001 0.000 0.274 376 R C -2.563 173.749 176.300 0.020 0.000 1.652 376 R CA -1.236 54.866 56.100 0.004 0.000 1.175 376 R CB 1.180 31.478 30.300 -0.003 0.000 1.283 376 R HN 0.412 nan 8.270 nan 0.000 0.513 377 P HA 0.490 nan 4.420 nan 0.000 0.306 377 P C -0.460 176.857 177.300 0.028 0.000 1.309 377 P CA -0.606 62.516 63.100 0.037 0.000 0.759 377 P CB 1.316 33.047 31.700 0.053 0.000 1.314 378 L N -0.504 120.737 121.223 0.029 0.000 2.301 378 L HA 0.559 4.899 4.340 0.001 0.000 0.264 378 L C 0.245 177.134 176.870 0.031 0.000 1.016 378 L CA -0.702 54.154 54.840 0.027 0.000 0.821 378 L CB 1.954 44.027 42.059 0.023 0.000 1.346 378 L HN 0.542 nan 8.230 nan 0.000 0.429 379 S N 0.035 115.757 115.700 0.037 0.000 2.568 379 S HA 0.859 5.329 4.470 0.001 0.000 0.293 379 S C -0.615 174.022 174.600 0.061 0.000 1.089 379 S CA -0.812 57.416 58.200 0.046 0.000 0.945 379 S CB 1.987 65.219 63.200 0.055 0.000 1.077 379 S HN 0.729 nan 8.310 nan 0.000 0.485 380 A N 1.462 124.317 122.820 0.059 0.000 2.316 380 A HA 0.625 4.945 4.320 0.001 0.000 0.284 380 A C -0.985 176.671 177.584 0.120 0.000 1.115 380 A CA -0.494 51.589 52.037 0.077 0.000 0.812 380 A CB 0.135 19.162 19.000 0.045 0.000 1.064 380 A HN 0.890 nan 8.150 nan 0.000 0.489 381 Y N 1.271 121.569 120.300 -0.003 0.000 2.334 381 Y HA 0.405 4.955 4.550 0.001 0.000 0.328 381 Y C 0.829 176.722 175.900 -0.011 0.000 1.130 381 Y CA -0.449 57.648 58.100 -0.004 0.000 1.163 381 Y CB 1.631 40.091 38.460 0.000 0.000 1.207 381 Y HN 0.876 nan 8.280 nan 0.000 0.471 382 C N 2.934 121.884 119.300 -0.584 0.000 3.596 382 C HA 0.710 5.170 4.460 0.001 0.000 0.268 382 C C 0.835 175.442 174.990 -0.639 0.000 1.912 382 C CA 0.047 58.793 59.018 -0.453 0.000 1.721 382 C CB -0.971 26.632 27.740 -0.228 0.000 3.328 382 C HN 0.972 nan 8.230 nan 0.000 0.500 383 G N 0.007 108.032 108.800 -1.292 0.000 2.531 383 G HA2 0.411 4.371 3.960 0.001 0.000 0.253 383 G HA3 0.411 4.371 3.960 0.001 0.000 0.253 383 G C -0.543 174.163 174.900 -0.323 0.000 1.439 383 G CA -0.316 44.325 45.100 -0.766 0.000 1.056 383 G HN 0.593 nan 8.290 nan 0.000 0.555 384 H N 0.483 119.566 119.070 0.021 0.000 2.928 384 H HA 0.390 4.946 4.556 0.001 0.000 0.338 384 H C 1.063 176.535 175.328 0.240 0.000 1.047 384 H CA 0.660 56.774 56.048 0.110 0.000 1.435 384 H CB 0.340 30.154 29.762 0.088 0.000 1.428 384 H HN 0.686 nan 8.280 nan 0.000 0.590 385 E N 3.000 123.372 120.200 0.286 0.000 2.408 385 E HA -0.008 4.342 4.350 0.001 0.000 0.259 385 E C 0.472 177.162 176.600 0.151 0.000 1.110 385 E CA -0.524 56.000 56.400 0.206 0.000 0.929 385 E CB 0.276 30.054 29.700 0.131 0.000 0.971 385 E HN 0.717 nan 8.360 nan 0.000 0.438 386 Q N 0.349 120.197 119.800 0.079 0.000 2.310 386 Q HA 0.075 4.416 4.340 0.001 0.000 0.315 386 Q C 0.247 176.266 176.000 0.033 0.000 1.081 386 Q CA 0.972 56.796 55.803 0.035 0.000 0.981 386 Q CB 0.108 28.846 28.738 0.001 0.000 1.184 386 Q HN 0.705 nan 8.270 nan 0.000 0.389 387 R N 0.191 120.701 120.500 0.016 0.000 2.795 387 R HA 0.731 5.071 4.340 0.001 0.000 0.268 387 R C -1.592 174.702 176.300 -0.010 0.000 1.041 387 R CA -1.019 55.081 56.100 0.001 0.000 0.927 387 R CB 1.034 31.325 30.300 -0.016 0.000 1.235 387 R HN 0.291 nan 8.270 nan 0.000 0.463 388 V N 1.743 121.648 119.914 -0.015 0.000 2.628 388 V HA 0.362 4.483 4.120 0.001 0.000 0.306 388 V C 0.268 176.350 176.094 -0.020 0.000 1.045 388 V CA -1.116 61.175 62.300 -0.014 0.000 0.905 388 V CB 1.751 33.568 31.823 -0.010 0.000 0.997 388 V HN 0.524 nan 8.190 nan 0.000 0.436 389 L N 5.075 126.288 121.223 -0.017 0.000 2.514 389 L HA 0.187 4.528 4.340 0.001 0.000 0.280 389 L C -1.773 175.087 176.870 -0.016 0.000 1.223 389 L CA -0.990 53.839 54.840 -0.018 0.000 0.864 389 L CB -0.036 42.015 42.059 -0.014 0.000 1.118 389 L HN 0.496 nan 8.230 nan 0.000 0.494 390 P HA 0.110 nan 4.420 nan 0.000 0.271 390 P C 0.104 177.398 177.300 -0.011 0.000 1.244 390 P CA -0.364 62.727 63.100 -0.015 0.000 0.793 390 P CB 0.428 32.118 31.700 -0.016 0.000 0.984 391 G N 0.000 108.795 108.800 -0.009 0.000 5.446 391 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 391 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 391 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 391 G HN 0.000 nan 8.290 nan 0.000 0.925