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 3q4d_1_E DATA FIRST_RESID 1 DATA SEQUENCE MIITQVELYK SPVKLKEPFK ISLGILTHAN NVIVRIHTAS GHIGYGECSP DATA SEQUENCE FMTIHGESMD TAFIVGQYLA KGLIGTSCLD IVSNSLLMDA IIYGNSCIKS DATA SEQUENCE AFNIALYDLA AQHAGLPLYA FLGGKKDKII QTDYTVSIDE PHKMAADAVQ DATA SEQUENCE IKKNGFEIIK VKVGGSKELD VERIRMIREA AGDSITLRID ANQGWSVETA DATA SEQUENCE IETLTLLEPY NIQHCEEPVS RNLYTALPKI RQACRIPIMA DESCCNSFDA DATA SEQUENCE ERLIQIQACD SFNLKLSKSA GITNALNIIR LAEQAHMPVQ VGGFLESRLG DATA SEQUENCE FTAAAHVALV SKTICYYDFD TPLMFEADPV RGGIVYQQRG IIEVPETAGL DATA SEQUENCE GAGYQKDYLS GLEKICIN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.242 176.300 -0.097 0.000 1.140 1 M CA 0.000 55.216 55.300 -0.141 0.000 0.988 1 M CB 0.000 32.486 32.600 -0.190 0.000 1.302 2 I N 3.577 124.113 120.570 -0.057 0.000 2.474 2 I HA 0.385 4.554 4.170 -0.000 0.000 0.287 2 I C 0.321 176.428 176.117 -0.018 0.000 1.048 2 I CA -0.653 60.625 61.300 -0.036 0.000 1.383 2 I CB 0.963 38.950 38.000 -0.022 0.000 1.412 2 I HN 0.761 nan 8.210 nan 0.000 0.531 3 I N 5.762 126.326 120.570 -0.010 0.000 2.396 3 I HA 0.046 4.215 4.170 -0.000 0.000 0.289 3 I C 1.331 177.462 176.117 0.024 0.000 1.056 3 I CA 0.103 61.412 61.300 0.014 0.000 1.365 3 I CB 0.956 38.968 38.000 0.019 0.000 1.407 3 I HN 0.734 nan 8.210 nan 0.000 0.509 4 T N 1.664 116.244 114.554 0.043 0.000 3.018 4 T HA 0.133 4.483 4.350 -0.000 0.000 0.246 4 T C 0.308 175.022 174.700 0.024 0.000 1.026 4 T CA -0.136 61.981 62.100 0.028 0.000 1.081 4 T CB 0.306 69.188 68.868 0.023 0.000 0.970 4 T HN 0.689 nan 8.240 nan 0.000 0.475 5 Q N 0.028 119.863 119.800 0.058 0.000 2.472 5 Q HA 0.678 5.017 4.340 -0.000 0.000 0.281 5 Q C -1.909 174.169 176.000 0.129 0.000 0.997 5 Q CA -1.237 54.594 55.803 0.047 0.000 0.828 5 Q CB 2.432 31.144 28.738 -0.043 0.000 1.443 5 Q HN 0.214 nan 8.270 nan 0.000 0.390 6 V N 0.191 120.160 119.914 0.092 0.000 2.656 6 V HA 0.654 4.774 4.120 -0.000 0.000 0.307 6 V C -1.443 174.670 176.094 0.032 0.000 1.051 6 V CA -0.199 62.158 62.300 0.095 0.000 0.893 6 V CB 2.025 33.920 31.823 0.120 0.000 0.999 6 V HN 0.948 nan 8.190 nan 0.000 0.426 7 E N 4.826 125.039 120.200 0.020 0.000 2.195 7 E HA 0.684 5.033 4.350 -0.000 0.000 0.271 7 E C -1.410 175.086 176.600 -0.172 0.000 0.923 7 E CA -0.669 55.667 56.400 -0.106 0.000 0.790 7 E CB 2.373 32.035 29.700 -0.064 0.000 1.155 7 E HN 0.712 nan 8.360 nan 0.000 0.402 8 L N 2.886 123.917 121.223 -0.319 0.000 2.365 8 L HA 0.494 4.834 4.340 -0.000 0.000 0.273 8 L C -1.270 175.497 176.870 -0.172 0.000 1.000 8 L CA -0.695 54.026 54.840 -0.200 0.000 0.819 8 L CB 0.955 42.817 42.059 -0.330 0.000 1.284 8 L HN 0.517 nan 8.230 nan 0.000 0.418 9 Y N 1.086 121.491 120.300 0.175 0.000 2.425 9 Y HA 0.426 4.976 4.550 -0.000 0.000 0.344 9 Y C -0.220 175.754 175.900 0.124 0.000 0.969 9 Y CA -0.992 57.196 58.100 0.147 0.000 1.052 9 Y CB 1.847 40.290 38.460 -0.029 0.000 1.215 9 Y HN 0.333 nan 8.280 nan 0.000 0.451 10 K N 1.788 122.230 120.400 0.071 0.000 2.285 10 K HA 0.308 4.627 4.320 -0.000 0.000 0.286 10 K C -0.243 176.335 176.600 -0.038 0.000 1.072 10 K CA -0.294 55.938 56.287 -0.091 0.000 0.913 10 K CB 1.017 33.292 32.500 -0.375 0.000 1.067 10 K HN 0.535 nan 8.250 nan 0.000 0.479 11 S N 5.270 120.975 115.700 0.009 0.000 2.406 11 S HA 0.332 4.802 4.470 -0.000 0.000 0.224 11 S C -2.613 172.021 174.600 0.056 0.000 1.426 11 S CA -1.573 56.652 58.200 0.042 0.000 1.179 11 S CB 0.428 63.682 63.200 0.091 0.000 1.042 11 S HN 0.306 nan 8.310 nan 0.000 0.479 12 P HA 0.342 nan 4.420 nan 0.000 0.297 12 P C -0.684 176.650 177.300 0.057 0.000 1.342 12 P CA -0.524 62.579 63.100 0.005 0.000 0.801 12 P CB 1.435 33.092 31.700 -0.072 0.000 0.920 13 V N 3.791 123.705 119.914 0.001 0.000 2.604 13 V HA 0.478 4.598 4.120 -0.000 0.000 0.305 13 V C -0.250 175.753 176.094 -0.152 0.000 1.043 13 V CA -1.110 61.153 62.300 -0.062 0.000 0.888 13 V CB 1.835 33.567 31.823 -0.151 0.000 0.995 13 V HN 0.407 nan 8.190 nan 0.000 0.429 14 K N 5.343 125.677 120.400 -0.111 0.000 2.270 14 K HA 0.512 4.832 4.320 -0.000 0.000 0.276 14 K C -0.705 175.715 176.600 -0.299 0.000 1.023 14 K CA -0.556 55.517 56.287 -0.358 0.000 0.955 14 K CB 0.847 33.154 32.500 -0.321 0.000 0.975 14 K HN 0.820 nan 8.250 nan 0.000 0.471 15 L N 4.523 125.563 121.223 -0.304 0.000 2.375 15 L HA 0.181 4.521 4.340 -0.000 0.000 0.271 15 L C 1.399 178.223 176.870 -0.076 0.000 1.107 15 L CA -0.465 54.289 54.840 -0.144 0.000 0.806 15 L CB 1.064 43.074 42.059 -0.081 0.000 1.146 15 L HN 0.755 nan 8.230 nan 0.000 0.447 16 K N 0.731 121.131 120.400 -0.001 0.000 1.978 16 K HA -0.081 4.239 4.320 -0.000 0.000 0.214 16 K C 0.114 176.724 176.600 0.018 0.000 1.049 16 K CA 1.215 57.513 56.287 0.017 0.000 0.939 16 K CB 0.061 32.592 32.500 0.051 0.000 0.721 16 K HN 0.490 nan 8.250 nan 0.000 0.441 17 E N 0.767 120.996 120.200 0.049 0.000 2.195 17 E HA 0.261 4.611 4.350 -0.000 0.000 0.271 17 E C -2.490 174.152 176.600 0.070 0.000 0.923 17 E CA -2.594 53.839 56.400 0.055 0.000 0.790 17 E CB 1.220 30.968 29.700 0.080 0.000 1.155 17 E HN 0.043 nan 8.360 nan 0.000 0.402 18 P HA 0.031 nan 4.420 nan 0.000 0.266 18 P C -0.487 176.906 177.300 0.155 0.000 1.195 18 P CA -0.019 63.129 63.100 0.079 0.000 0.768 18 P CB 0.271 31.997 31.700 0.043 0.000 0.838 19 F N 3.601 123.568 119.950 0.028 0.000 2.410 19 F HA 0.370 4.897 4.527 -0.000 0.000 0.349 19 F C 0.200 176.040 175.800 0.067 0.000 1.117 19 F CA -0.369 57.666 58.000 0.060 0.000 1.104 19 F CB 1.047 40.108 39.000 0.102 0.000 1.122 19 F HN 0.130 nan 8.300 nan 0.000 0.483 20 K N 8.538 128.665 120.400 -0.456 0.000 2.463 20 K HA 0.538 4.858 4.320 -0.000 0.000 0.255 20 K C -0.961 175.389 176.600 -0.417 0.000 0.942 20 K CA -0.624 55.480 56.287 -0.304 0.000 0.814 20 K CB 2.061 34.471 32.500 -0.151 0.000 1.122 20 K HN 0.669 nan 8.250 nan 0.000 0.425 21 I N -1.842 118.573 120.570 -0.257 0.000 3.206 21 I HA 0.375 4.545 4.170 -0.000 0.000 0.313 21 I C 1.368 177.432 176.117 -0.089 0.000 1.103 21 I CA -0.895 60.296 61.300 -0.182 0.000 0.985 21 I CB 2.002 39.945 38.000 -0.094 0.000 1.240 21 I HN 0.538 nan 8.210 nan 0.000 0.464 22 S N 1.489 117.134 115.700 -0.090 0.000 2.440 22 S HA -0.061 4.409 4.470 -0.000 0.000 0.238 22 S C 1.451 176.033 174.600 -0.029 0.000 1.010 22 S CA 0.899 59.054 58.200 -0.074 0.000 0.972 22 S CB -0.610 62.515 63.200 -0.126 0.000 0.774 22 S HN 0.709 nan 8.310 nan 0.000 0.501 23 L N 0.625 121.851 121.223 0.005 0.000 2.375 23 L HA 0.382 4.721 4.340 -0.000 0.000 0.215 23 L C 1.404 178.303 176.870 0.048 0.000 1.108 23 L CA 0.420 55.286 54.840 0.043 0.000 0.830 23 L CB -0.215 41.903 42.059 0.097 0.000 0.959 23 L HN 0.649 nan 8.230 nan 0.000 0.457 24 G N -0.484 108.340 108.800 0.039 0.000 2.327 24 G HA2 0.278 4.237 3.960 -0.000 0.000 0.291 24 G HA3 0.278 4.237 3.960 -0.000 0.000 0.291 24 G C -1.712 173.198 174.900 0.017 0.000 1.290 24 G CA -0.783 44.332 45.100 0.025 0.000 0.857 24 G HN -0.137 nan 8.290 nan 0.000 0.520 25 I N 0.353 120.929 120.570 0.010 0.000 2.509 25 I HA 0.573 4.743 4.170 -0.000 0.000 0.293 25 I C -0.536 175.598 176.117 0.028 0.000 1.020 25 I CA -0.806 60.505 61.300 0.018 0.000 1.088 25 I CB 2.050 40.056 38.000 0.010 0.000 1.267 25 I HN 0.257 nan 8.210 nan 0.000 0.430 26 L N 4.518 125.789 121.223 0.080 0.000 2.362 26 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 26 L C 0.866 177.787 176.870 0.085 0.000 0.998 26 L CA -0.321 54.559 54.840 0.066 0.000 0.820 26 L CB 2.275 44.365 42.059 0.052 0.000 1.270 26 L HN 0.717 nan 8.230 nan 0.000 0.415 27 T N -3.088 111.505 114.554 0.065 0.000 3.014 27 T HA 0.211 4.561 4.350 -0.000 0.000 0.250 27 T C 0.616 175.192 174.700 -0.207 0.000 1.060 27 T CA 0.276 62.364 62.100 -0.020 0.000 1.040 27 T CB 0.029 68.907 68.868 0.016 0.000 0.971 27 T HN 0.448 nan 8.240 nan 0.000 0.497 28 H N 0.199 119.235 119.070 -0.057 0.000 2.821 28 H HA 0.648 5.204 4.556 -0.000 0.000 0.373 28 H C -1.010 174.242 175.328 -0.126 0.000 1.165 28 H CA -1.032 54.951 56.048 -0.109 0.000 1.154 28 H CB 2.127 31.831 29.762 -0.098 0.000 1.765 28 H HN 0.259 nan 8.280 nan 0.000 0.549 29 A N 2.810 125.569 122.820 -0.102 0.000 2.527 29 A HA 0.114 4.434 4.320 -0.000 0.000 0.313 29 A C 0.030 177.601 177.584 -0.021 0.000 1.410 29 A CA -0.674 51.316 52.037 -0.077 0.000 1.060 29 A CB -0.580 18.287 19.000 -0.222 0.000 1.137 29 A HN 0.567 nan 8.150 nan 0.000 0.542 30 N N 3.383 122.088 118.700 0.009 0.000 2.663 30 N HA 0.097 4.837 4.740 -0.000 0.000 0.250 30 N C -0.764 174.760 175.510 0.025 0.000 1.129 30 N CA -0.014 53.032 53.050 -0.007 0.000 0.995 30 N CB 0.584 39.042 38.487 -0.048 0.000 1.324 30 N HN 0.564 nan 8.380 nan 0.000 0.512 31 N N 0.212 118.947 118.700 0.058 0.000 2.477 31 N HA 0.412 5.151 4.740 -0.000 0.000 0.284 31 N C -0.342 175.219 175.510 0.085 0.000 1.182 31 N CA -0.447 52.658 53.050 0.093 0.000 0.949 31 N CB 1.611 40.193 38.487 0.159 0.000 1.204 31 N HN -0.014 nan 8.380 nan 0.000 0.526 32 V N 1.442 121.415 119.914 0.098 0.000 2.540 32 V HA 0.481 4.601 4.120 -0.000 0.000 0.302 32 V C -0.018 176.150 176.094 0.123 0.000 1.035 32 V CA -0.664 61.714 62.300 0.130 0.000 0.873 32 V CB 1.344 33.252 31.823 0.143 0.000 0.992 32 V HN 0.464 nan 8.190 nan 0.000 0.428 33 I N 4.600 125.261 120.570 0.151 0.000 2.460 33 I HA 0.574 4.744 4.170 -0.000 0.000 0.298 33 I C -0.724 175.487 176.117 0.155 0.000 0.989 33 I CA -0.831 60.552 61.300 0.138 0.000 1.173 33 I CB 2.080 40.076 38.000 -0.006 0.000 1.338 33 I HN 0.248 nan 8.210 nan 0.000 0.456 34 V N 6.437 126.382 119.914 0.051 0.000 2.531 34 V HA 0.482 4.602 4.120 -0.000 0.000 0.301 34 V C -0.270 175.760 176.094 -0.107 0.000 1.034 34 V CA -0.704 61.507 62.300 -0.148 0.000 0.865 34 V CB 1.928 33.415 31.823 -0.560 0.000 0.995 34 V HN 0.654 nan 8.190 nan 0.000 0.424 35 R N 4.864 125.301 120.500 -0.104 0.000 2.439 35 R HA 0.633 4.973 4.340 -0.000 0.000 0.310 35 R C -1.189 174.976 176.300 -0.225 0.000 0.955 35 R CA -0.579 55.363 56.100 -0.263 0.000 0.853 35 R CB 2.221 32.369 30.300 -0.252 0.000 1.171 35 R HN 0.609 nan 8.270 nan 0.000 0.449 36 I N 3.295 123.706 120.570 -0.266 0.000 2.336 36 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 36 I C -0.169 175.816 176.117 -0.220 0.000 0.991 36 I CA -0.745 60.471 61.300 -0.139 0.000 1.227 36 I CB 1.108 39.068 38.000 -0.067 0.000 1.366 36 I HN 0.411 nan 8.210 nan 0.000 0.466 37 H N 2.949 121.994 119.070 -0.041 0.000 2.467 37 H HA 0.376 4.932 4.556 -0.000 0.000 0.326 37 H C 0.263 175.589 175.328 -0.004 0.000 1.094 37 H CA -0.342 55.694 56.048 -0.020 0.000 1.253 37 H CB 1.405 31.160 29.762 -0.013 0.000 1.439 37 H HN 0.612 nan 8.280 nan 0.000 0.479 38 T N -0.756 113.867 114.554 0.115 0.000 2.912 38 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 38 T C 1.469 176.220 174.700 0.085 0.000 0.989 38 T CA -0.405 61.737 62.100 0.070 0.000 0.995 38 T CB 1.543 70.422 68.868 0.018 0.000 1.077 38 T HN 0.601 nan 8.240 nan 0.000 0.531 39 A N 1.177 124.024 122.820 0.045 0.000 1.933 39 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 39 A C 2.460 180.081 177.584 0.061 0.000 1.175 39 A CA 1.842 53.904 52.037 0.042 0.000 0.628 39 A CB -1.441 17.570 19.000 0.018 0.000 0.814 39 A HN 1.207 nan 8.150 nan 0.000 0.444 40 S N -1.539 114.203 115.700 0.069 0.000 2.595 40 S HA 0.287 4.757 4.470 -0.000 0.000 0.235 40 S C 1.457 176.179 174.600 0.203 0.000 0.974 40 S CA 1.137 59.409 58.200 0.120 0.000 0.942 40 S CB -0.636 62.620 63.200 0.093 0.000 0.766 40 S HN 1.971 nan 8.310 nan 0.000 0.536 41 G N 0.628 109.535 108.800 0.177 0.000 2.141 41 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 41 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 41 G C -0.023 174.970 174.900 0.155 0.000 0.982 41 G CA 0.145 45.340 45.100 0.159 0.000 0.662 41 G HN 0.704 nan 8.290 nan 0.000 0.527 42 H N -0.615 118.470 119.070 0.026 0.000 2.615 42 H HA 0.535 5.090 4.556 -0.000 0.000 0.363 42 H C 0.279 175.566 175.328 -0.069 0.000 1.148 42 H CA 0.327 56.370 56.048 -0.007 0.000 1.401 42 H CB 1.176 30.933 29.762 -0.008 0.000 1.461 42 H HN 0.186 nan 8.280 nan 0.000 0.588 43 I N 1.194 121.750 120.570 -0.023 0.000 2.499 43 I HA 0.244 4.414 4.170 -0.000 0.000 0.288 43 I C 0.335 176.347 176.117 -0.175 0.000 1.048 43 I CA -0.555 60.608 61.300 -0.227 0.000 1.062 43 I CB 2.133 39.925 38.000 -0.346 0.000 1.238 43 I HN 0.559 nan 8.210 nan 0.000 0.426 44 G N 5.164 113.823 108.800 -0.235 0.000 2.379 44 G HA2 0.602 4.562 3.960 -0.000 0.000 0.327 44 G HA3 0.602 4.562 3.960 -0.000 0.000 0.327 44 G C -1.550 173.212 174.900 -0.230 0.000 1.145 44 G CA -0.215 44.807 45.100 -0.130 0.000 0.905 44 G HN 0.393 nan 8.290 nan 0.000 0.466 45 Y N 0.321 120.604 120.300 -0.029 0.000 2.387 45 Y HA 0.660 5.210 4.550 -0.000 0.000 0.336 45 Y C 0.815 176.720 175.900 0.008 0.000 1.067 45 Y CA -0.172 57.932 58.100 0.007 0.000 1.114 45 Y CB 2.778 41.258 38.460 0.034 0.000 1.208 45 Y HN 0.765 nan 8.280 nan 0.000 0.458 46 G N 1.563 110.464 108.800 0.168 0.000 2.696 46 G HA2 0.570 4.530 3.960 -0.000 0.000 0.295 46 G HA3 0.570 4.530 3.960 -0.000 0.000 0.295 46 G C -2.054 172.922 174.900 0.128 0.000 1.398 46 G CA -0.707 44.452 45.100 0.099 0.000 0.920 46 G HN 0.517 nan 8.290 nan 0.000 0.492 47 E N -1.114 119.155 120.200 0.114 0.000 2.393 47 E HA 0.667 5.016 4.350 -0.000 0.000 0.273 47 E C -0.828 175.817 176.600 0.075 0.000 0.918 47 E CA -0.886 55.594 56.400 0.133 0.000 0.773 47 E CB 2.480 32.303 29.700 0.205 0.000 1.275 47 E HN 0.936 nan 8.360 nan 0.000 0.451 48 C N 0.423 119.766 119.300 0.072 0.000 3.086 48 C HA 0.792 5.251 4.460 -0.000 0.000 0.311 48 C C -0.698 174.316 174.990 0.041 0.000 1.260 48 C CA -0.795 58.239 59.018 0.027 0.000 1.426 48 C CB 1.140 28.869 27.740 -0.018 0.000 1.826 48 C HN 0.500 nan 8.230 nan 0.000 0.474 49 S N 2.696 118.410 115.700 0.023 0.000 2.252 49 S HA 0.598 5.068 4.470 -0.000 0.000 0.187 49 S C -2.781 171.830 174.600 0.018 0.000 1.587 49 S CA -0.634 57.625 58.200 0.098 0.000 1.215 49 S CB 0.015 63.367 63.200 0.254 0.000 1.085 49 S HN 0.737 nan 8.310 nan 0.000 0.466 50 P HA 0.158 nan 4.420 nan 0.000 0.264 50 P C -1.069 176.299 177.300 0.114 0.000 1.193 50 P CA 0.183 63.214 63.100 -0.114 0.000 0.763 50 P CB 0.048 31.704 31.700 -0.074 0.000 0.810 51 F N 3.237 123.236 119.950 0.081 0.000 2.366 51 F HA 0.298 4.825 4.527 -0.000 0.000 0.366 51 F C 1.620 177.452 175.800 0.053 0.000 1.096 51 F CA -0.404 57.631 58.000 0.059 0.000 1.060 51 F CB 0.919 39.869 39.000 -0.083 0.000 1.282 51 F HN 0.284 nan 8.300 nan 0.000 0.450 52 M N 1.016 120.651 119.600 0.059 0.000 2.106 52 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 52 M C 2.138 178.496 176.300 0.097 0.000 1.068 52 M CA 2.346 57.683 55.300 0.061 0.000 1.100 52 M CB -0.381 32.223 32.600 0.007 0.000 1.351 52 M HN 0.650 nan 8.290 nan 0.000 0.404 53 T N -2.343 112.290 114.554 0.131 0.000 3.160 53 T HA 0.137 4.487 4.350 -0.000 0.000 0.257 53 T C 1.327 176.112 174.700 0.141 0.000 1.147 53 T CA 0.478 62.660 62.100 0.136 0.000 1.064 53 T CB -0.233 68.722 68.868 0.144 0.000 0.949 53 T HN 0.397 nan 8.240 nan 0.000 0.526 54 I N -0.977 119.677 120.570 0.141 0.000 3.878 54 I HA 0.206 4.376 4.170 -0.000 0.000 0.273 54 I C 2.136 178.203 176.117 -0.084 0.000 1.165 54 I CA -0.124 61.182 61.300 0.011 0.000 1.360 54 I CB 0.088 38.070 38.000 -0.030 0.000 1.539 54 I HN 0.126 nan 8.210 nan 0.000 0.447 55 H N 1.251 120.305 119.070 -0.027 0.000 2.428 55 H HA 0.093 4.649 4.556 -0.000 0.000 0.296 55 H C 1.490 176.809 175.328 -0.016 0.000 1.062 55 H CA 1.256 57.265 56.048 -0.064 0.000 1.350 55 H CB 0.005 29.686 29.762 -0.135 0.000 1.403 55 H HN 0.477 nan 8.280 nan 0.000 0.533 56 G N 0.384 109.260 108.800 0.128 0.000 2.160 56 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.244 56 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.244 56 G C -0.263 174.682 174.900 0.075 0.000 1.022 56 G CA 0.406 45.557 45.100 0.086 0.000 0.741 56 G HN 0.495 nan 8.290 nan 0.000 0.508 57 E N -0.597 119.652 120.200 0.081 0.000 2.359 57 E HA 0.738 5.088 4.350 -0.000 0.000 0.266 57 E C 0.012 176.623 176.600 0.019 0.000 0.920 57 E CA -0.350 56.070 56.400 0.033 0.000 0.788 57 E CB 2.036 31.728 29.700 -0.012 0.000 1.279 57 E HN 0.537 nan 8.360 nan 0.000 0.438 58 S N -0.066 115.637 115.700 0.004 0.000 2.704 58 S HA 0.309 4.779 4.470 -0.000 0.000 0.296 58 S C 0.762 175.359 174.600 -0.006 0.000 1.138 58 S CA -0.798 57.397 58.200 -0.008 0.000 0.875 58 S CB 1.376 64.570 63.200 -0.011 0.000 1.151 58 S HN 0.758 nan 8.310 nan 0.000 0.500 59 M N 0.779 120.370 119.600 -0.014 0.000 2.149 59 M HA -0.158 4.321 4.480 -0.000 0.000 0.261 59 M C 0.898 177.212 176.300 0.024 0.000 1.064 59 M CA 2.073 57.373 55.300 0.000 0.000 1.102 59 M CB -0.618 31.962 32.600 -0.032 0.000 1.369 59 M HN 0.761 nan 8.290 nan 0.000 0.408 60 D N -0.138 120.261 120.400 -0.002 0.000 2.097 60 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 60 D C 2.003 178.339 176.300 0.061 0.000 0.989 60 D CA 2.275 56.285 54.000 0.017 0.000 0.827 60 D CB -0.494 40.299 40.800 -0.012 0.000 0.966 60 D HN 0.557 nan 8.370 nan 0.000 0.456 61 T N -0.529 114.047 114.554 0.037 0.000 2.777 61 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 61 T C 2.175 176.890 174.700 0.026 0.000 1.040 61 T CA 1.393 63.511 62.100 0.031 0.000 1.141 61 T CB -0.323 68.562 68.868 0.028 0.000 0.868 61 T HN 0.079 nan 8.240 nan 0.000 0.444 62 A N 0.942 123.787 122.820 0.042 0.000 1.908 62 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 62 A C 2.041 179.666 177.584 0.068 0.000 1.181 62 A CA 1.438 53.502 52.037 0.045 0.000 0.627 62 A CB -1.235 17.793 19.000 0.046 0.000 0.818 62 A HN 0.513 nan 8.150 nan 0.000 0.445 63 F N 0.601 120.518 119.950 -0.054 0.000 2.269 63 F HA -0.092 4.435 4.527 -0.000 0.000 0.301 63 F C 1.885 177.613 175.800 -0.119 0.000 1.082 63 F CA 1.322 59.283 58.000 -0.065 0.000 1.360 63 F CB 0.021 38.983 39.000 -0.064 0.000 1.041 63 F HN 0.193 nan 8.300 nan 0.000 0.512 64 I N -1.693 118.816 120.570 -0.102 0.000 2.385 64 I HA -0.147 4.023 4.170 -0.000 0.000 0.244 64 I C 2.212 177.930 176.117 -0.665 0.000 1.089 64 I CA 0.703 61.804 61.300 -0.333 0.000 1.410 64 I CB -1.014 36.855 38.000 -0.218 0.000 1.117 64 I HN -0.176 nan 8.210 nan 0.000 0.429 65 V N 1.983 121.628 119.914 -0.448 0.000 2.392 65 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 65 V C 2.723 178.651 176.094 -0.276 0.000 1.059 65 V CA 2.201 64.278 62.300 -0.372 0.000 1.051 65 V CB -1.544 30.264 31.823 -0.026 0.000 0.658 65 V HN 0.587 nan 8.190 nan 0.000 0.455 66 G N -0.918 107.779 108.800 -0.172 0.000 2.442 66 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 66 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 66 G C 1.483 176.329 174.900 -0.091 0.000 1.141 66 G CA 0.886 45.989 45.100 0.006 0.000 0.763 66 G HN 0.570 nan 8.290 nan 0.000 0.554 67 Q N -0.771 118.861 119.800 -0.281 0.000 2.119 67 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 67 Q C 2.351 178.285 176.000 -0.111 0.000 0.972 67 Q CA 1.187 56.849 55.803 -0.234 0.000 0.847 67 Q CB -0.254 28.290 28.738 -0.324 0.000 0.903 67 Q HN 0.600 nan 8.270 nan 0.000 0.433 68 Y N 0.814 121.051 120.300 -0.105 0.000 2.165 68 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 68 Y C 2.074 177.879 175.900 -0.158 0.000 1.155 68 Y CA 0.768 58.804 58.100 -0.107 0.000 1.164 68 Y CB -0.767 37.640 38.460 -0.090 0.000 0.978 68 Y HN 0.082 nan 8.280 nan 0.000 0.513 69 L N -0.864 120.292 121.223 -0.111 0.000 2.027 69 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 69 L C 2.727 179.382 176.870 -0.357 0.000 1.074 69 L CA 1.088 55.709 54.840 -0.366 0.000 0.745 69 L CB -1.079 40.496 42.059 -0.806 0.000 0.898 69 L HN 0.186 nan 8.230 nan 0.000 0.433 70 A N 0.422 123.098 122.820 -0.239 0.000 1.892 70 A HA -0.308 4.011 4.320 -0.000 0.000 0.218 70 A C 2.313 179.889 177.584 -0.014 0.000 1.188 70 A CA 2.310 54.351 52.037 0.008 0.000 0.631 70 A CB -0.543 18.534 19.000 0.129 0.000 0.822 70 A HN 0.237 nan 8.150 nan 0.000 0.447 71 K N -0.717 119.671 120.400 -0.020 0.000 2.074 71 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 71 K C 1.889 178.476 176.600 -0.022 0.000 1.048 71 K CA 1.630 57.911 56.287 -0.010 0.000 0.926 71 K CB -0.660 31.845 32.500 0.008 0.000 0.713 71 K HN 0.446 nan 8.250 nan 0.000 0.444 72 G N -0.396 108.378 108.800 -0.044 0.000 2.448 72 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 72 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 72 G C 1.283 176.156 174.900 -0.046 0.000 1.135 72 G CA 0.450 45.521 45.100 -0.049 0.000 0.784 72 G HN 0.225 nan 8.290 nan 0.000 0.543 73 L N 0.784 121.979 121.223 -0.047 0.000 2.446 73 L HA 0.219 4.558 4.340 -0.000 0.000 0.219 73 L C 0.492 177.363 176.870 0.001 0.000 1.116 73 L CA -0.370 54.458 54.840 -0.020 0.000 0.844 73 L CB -0.090 41.970 42.059 0.003 0.000 0.970 73 L HN 0.044 nan 8.230 nan 0.000 0.457 74 I N 1.361 121.934 120.570 0.004 0.000 2.668 74 I HA 0.009 4.179 4.170 -0.000 0.000 0.285 74 I C 1.443 177.557 176.117 -0.004 0.000 1.168 74 I CA 1.239 62.544 61.300 0.007 0.000 1.424 74 I CB -0.239 37.764 38.000 0.004 0.000 1.377 74 I HN 0.391 nan 8.210 nan 0.000 0.560 75 G N 4.524 113.322 108.800 -0.004 0.000 2.232 75 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.226 75 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.226 75 G C 0.428 175.319 174.900 -0.016 0.000 0.996 75 G CA 0.240 45.334 45.100 -0.010 0.000 0.626 75 G HN 0.820 nan 8.290 nan 0.000 0.509 76 T N -1.258 113.286 114.554 -0.017 0.000 2.824 76 T HA 0.642 4.992 4.350 -0.000 0.000 0.277 76 T C 0.498 175.177 174.700 -0.034 0.000 0.975 76 T CA 0.637 62.722 62.100 -0.025 0.000 0.966 76 T CB 1.797 70.650 68.868 -0.025 0.000 1.054 76 T HN 1.077 nan 8.240 nan 0.000 0.533 77 S N -0.367 115.306 115.700 -0.046 0.000 2.430 77 S HA 0.223 4.693 4.470 -0.000 0.000 0.289 77 S C 1.625 176.177 174.600 -0.079 0.000 1.143 77 S CA -0.705 57.455 58.200 -0.068 0.000 1.067 77 S CB -0.720 62.434 63.200 -0.076 0.000 0.964 77 S HN 0.954 nan 8.310 nan 0.000 0.485 78 C N 5.089 124.334 119.300 -0.092 0.000 2.413 78 C HA 0.065 4.525 4.460 -0.000 0.000 0.292 78 C C 1.972 176.882 174.990 -0.135 0.000 1.435 78 C CA 0.080 59.039 59.018 -0.098 0.000 1.791 78 C CB -1.863 25.818 27.740 -0.099 0.000 1.784 78 C HN 0.854 nan 8.230 nan 0.000 0.548 79 L N 0.489 121.621 121.223 -0.152 0.000 2.341 79 L HA 0.084 4.424 4.340 -0.000 0.000 0.214 79 L C 0.712 177.518 176.870 -0.107 0.000 1.115 79 L CA 0.812 55.560 54.840 -0.153 0.000 0.820 79 L CB -0.473 41.470 42.059 -0.193 0.000 0.944 79 L HN 0.234 nan 8.230 nan 0.000 0.452 80 D N 1.003 121.349 120.400 -0.091 0.000 2.688 80 D HA 0.104 4.743 4.640 -0.000 0.000 0.228 80 D C 1.519 177.775 176.300 -0.073 0.000 1.116 80 D CA 0.199 54.159 54.000 -0.067 0.000 1.023 80 D CB 0.324 41.093 40.800 -0.050 0.000 1.100 80 D HN 0.233 nan 8.370 nan 0.000 0.487 81 I N -0.188 120.317 120.570 -0.109 0.000 2.163 81 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 81 I C 2.272 178.352 176.117 -0.061 0.000 1.085 81 I CA 0.858 62.073 61.300 -0.142 0.000 1.347 81 I CB -0.066 37.738 38.000 -0.328 0.000 1.044 81 I HN 0.109 nan 8.210 nan 0.000 0.408 82 V N 0.333 120.227 119.914 -0.034 0.000 2.261 82 V HA -0.316 3.803 4.120 -0.000 0.000 0.246 82 V C 2.703 178.796 176.094 -0.002 0.000 1.047 82 V CA 2.288 64.588 62.300 -0.000 0.000 1.015 82 V CB -0.617 31.211 31.823 0.009 0.000 0.642 82 V HN 0.535 nan 8.190 nan 0.000 0.446 83 S N 0.595 116.287 115.700 -0.013 0.000 2.374 83 S HA -0.278 4.192 4.470 -0.000 0.000 0.227 83 S C 1.852 176.443 174.600 -0.015 0.000 1.037 83 S CA 2.285 60.477 58.200 -0.013 0.000 1.024 83 S CB -0.486 62.702 63.200 -0.019 0.000 0.861 83 S HN 0.663 nan 8.310 nan 0.000 0.456 84 N N 0.891 119.578 118.700 -0.022 0.000 2.250 84 N HA 0.109 4.849 4.740 -0.000 0.000 0.181 84 N C 1.961 177.462 175.510 -0.016 0.000 1.017 84 N CA 1.228 54.264 53.050 -0.023 0.000 0.866 84 N CB -0.804 37.668 38.487 -0.025 0.000 0.985 84 N HN 0.405 nan 8.380 nan 0.000 0.429 85 S N 1.136 116.837 115.700 0.001 0.000 2.370 85 S HA -0.061 4.409 4.470 -0.000 0.000 0.226 85 S C 1.998 176.604 174.600 0.011 0.000 1.033 85 S CA 0.640 58.851 58.200 0.018 0.000 1.011 85 S CB -0.244 62.983 63.200 0.044 0.000 0.852 85 S HN 0.218 nan 8.310 nan 0.000 0.457 86 L N 0.766 121.995 121.223 0.011 0.000 2.093 86 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 86 L C 2.172 179.042 176.870 -0.000 0.000 1.085 86 L CA 0.811 55.659 54.840 0.013 0.000 0.755 86 L CB -0.280 41.787 42.059 0.015 0.000 0.904 86 L HN 0.259 nan 8.230 nan 0.000 0.435 87 L N -0.746 120.469 121.223 -0.014 0.000 2.083 87 L HA -0.235 4.105 4.340 -0.000 0.000 0.209 87 L C 2.294 179.141 176.870 -0.039 0.000 1.083 87 L CA 1.884 56.708 54.840 -0.026 0.000 0.752 87 L CB -0.418 41.621 42.059 -0.034 0.000 0.899 87 L HN 0.256 nan 8.230 nan 0.000 0.433 88 M N -1.209 118.361 119.600 -0.050 0.000 2.132 88 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 88 M C 1.769 178.047 176.300 -0.036 0.000 1.065 88 M CA 1.627 56.883 55.300 -0.073 0.000 1.122 88 M CB -0.632 31.906 32.600 -0.103 0.000 1.365 88 M HN 0.158 nan 8.290 nan 0.000 0.411 89 D N 0.863 121.256 120.400 -0.011 0.000 2.182 89 D HA -0.097 4.542 4.640 -0.000 0.000 0.201 89 D C 1.913 178.230 176.300 0.028 0.000 0.986 89 D CA 1.509 55.518 54.000 0.016 0.000 0.847 89 D CB -0.140 40.682 40.800 0.035 0.000 0.942 89 D HN 0.350 nan 8.370 nan 0.000 0.467 90 A N 0.043 122.869 122.820 0.010 0.000 2.066 90 A HA -0.026 4.293 4.320 -0.000 0.000 0.218 90 A C 2.260 179.839 177.584 -0.009 0.000 1.157 90 A CA 0.446 52.486 52.037 0.005 0.000 0.670 90 A CB -0.365 18.632 19.000 -0.005 0.000 0.804 90 A HN 0.187 nan 8.150 nan 0.000 0.453 91 I N -1.539 119.020 120.570 -0.019 0.000 2.400 91 I HA 0.183 4.353 4.170 -0.000 0.000 0.248 91 I C 0.673 176.774 176.117 -0.026 0.000 1.109 91 I CA 0.981 62.259 61.300 -0.037 0.000 1.425 91 I CB 0.282 38.255 38.000 -0.046 0.000 1.094 91 I HN 0.304 nan 8.210 nan 0.000 0.425 92 I N -1.285 119.290 120.570 0.010 0.000 2.743 92 I HA 0.178 4.348 4.170 -0.000 0.000 0.292 92 I C -1.228 174.941 176.117 0.087 0.000 1.343 92 I CA -0.787 60.541 61.300 0.046 0.000 1.038 92 I CB 2.012 40.046 38.000 0.057 0.000 1.311 92 I HN -0.110 nan 8.210 nan 0.000 0.426 93 Y N 7.352 127.650 120.300 -0.004 0.000 2.314 93 Y HA 0.599 5.149 4.550 -0.000 0.000 0.334 93 Y C 0.988 176.897 175.900 0.016 0.000 1.266 93 Y CA 1.468 59.570 58.100 0.003 0.000 1.391 93 Y CB 1.018 39.475 38.460 -0.005 0.000 1.306 93 Y HN 0.928 nan 8.280 nan 0.000 0.558 94 G N 3.508 111.789 108.800 -0.865 0.000 2.596 94 G HA2 -0.399 3.560 3.960 -0.000 0.000 0.295 94 G HA3 -0.399 3.560 3.960 -0.000 0.000 0.295 94 G C 0.233 175.010 174.900 -0.205 0.000 1.240 94 G CA 0.335 45.092 45.100 -0.572 0.000 0.985 94 G HN 1.285 nan 8.290 nan 0.000 0.555 95 N N -0.664 117.976 118.700 -0.101 0.000 2.721 95 N HA -0.222 4.517 4.740 -0.000 0.000 0.249 95 N C 1.521 177.010 175.510 -0.035 0.000 1.072 95 N CA 1.218 54.245 53.050 -0.037 0.000 0.710 95 N CB -1.015 37.469 38.487 -0.006 0.000 0.993 95 N HN 0.701 nan 8.380 nan 0.000 0.547 96 S N -0.274 115.405 115.700 -0.036 0.000 2.383 96 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 96 S C 2.152 176.751 174.600 -0.001 0.000 1.030 96 S CA 1.221 59.418 58.200 -0.006 0.000 1.002 96 S CB -0.144 63.068 63.200 0.021 0.000 0.829 96 S HN 0.739 nan 8.310 nan 0.000 0.467 97 C N 1.407 120.670 119.300 -0.062 0.000 2.386 97 C HA -0.126 4.334 4.460 -0.000 0.000 0.279 97 C C 2.447 177.392 174.990 -0.075 0.000 1.208 97 C CA 1.139 60.036 59.018 -0.201 0.000 1.747 97 C CB -1.262 26.136 27.740 -0.570 0.000 2.046 97 C HN 0.563 nan 8.230 nan 0.000 0.453 98 I N 1.267 121.819 120.570 -0.030 0.000 2.264 98 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 98 I C 2.417 178.641 176.117 0.179 0.000 1.111 98 I CA 1.801 63.147 61.300 0.077 0.000 1.382 98 I CB -0.698 37.355 38.000 0.090 0.000 1.060 98 I HN 0.373 nan 8.210 nan 0.000 0.418 99 K N 0.214 120.678 120.400 0.107 0.000 2.032 99 K HA -0.210 4.109 4.320 -0.000 0.000 0.209 99 K C 2.308 179.009 176.600 0.167 0.000 1.048 99 K CA 1.971 58.331 56.287 0.121 0.000 0.927 99 K CB -0.447 32.077 32.500 0.040 0.000 0.712 99 K HN 0.581 nan 8.250 nan 0.000 0.441 100 S N 0.948 116.715 115.700 0.111 0.000 2.387 100 S HA -0.208 4.262 4.470 -0.000 0.000 0.230 100 S C 2.231 176.903 174.600 0.121 0.000 1.035 100 S CA 1.229 59.492 58.200 0.106 0.000 1.014 100 S CB -0.399 62.843 63.200 0.070 0.000 0.836 100 S HN 0.319 nan 8.310 nan 0.000 0.466 101 A N 0.991 123.879 122.820 0.113 0.000 1.883 101 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 101 A C 1.965 179.573 177.584 0.039 0.000 1.186 101 A CA 1.532 53.603 52.037 0.058 0.000 0.624 101 A CB -1.183 17.822 19.000 0.007 0.000 0.822 101 A HN 0.583 nan 8.150 nan 0.000 0.444 102 F N -0.101 119.873 119.950 0.040 0.000 2.134 102 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 102 F C 2.278 178.109 175.800 0.051 0.000 1.097 102 F CA 1.650 59.669 58.000 0.032 0.000 1.264 102 F CB -0.469 38.539 39.000 0.014 0.000 1.001 102 F HN 0.346 nan 8.300 nan 0.000 0.479 103 N N 0.845 119.699 118.700 0.257 0.000 2.084 103 N HA -0.180 4.560 4.740 -0.000 0.000 0.190 103 N C 1.784 177.455 175.510 0.268 0.000 1.030 103 N CA 1.496 54.684 53.050 0.230 0.000 0.849 103 N CB -0.285 38.335 38.487 0.222 0.000 1.012 103 N HN 0.194 nan 8.380 nan 0.000 0.423 104 I N 0.341 121.032 120.570 0.202 0.000 2.163 104 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 104 I C 2.344 178.550 176.117 0.148 0.000 1.085 104 I CA 1.248 62.651 61.300 0.172 0.000 1.347 104 I CB -0.496 37.560 38.000 0.093 0.000 1.044 104 I HN 0.252 nan 8.210 nan 0.000 0.408 105 A N 0.867 123.740 122.820 0.087 0.000 1.908 105 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 105 A C 2.309 179.911 177.584 0.030 0.000 1.181 105 A CA 1.511 53.569 52.037 0.036 0.000 0.627 105 A CB -0.881 18.091 19.000 -0.047 0.000 0.818 105 A HN 0.401 nan 8.150 nan 0.000 0.445 106 L N -2.395 118.857 121.223 0.048 0.000 2.046 106 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 106 L C 2.583 179.402 176.870 -0.085 0.000 1.077 106 L CA 1.559 56.382 54.840 -0.028 0.000 0.747 106 L CB -0.684 41.349 42.059 -0.044 0.000 0.896 106 L HN 0.448 nan 8.230 nan 0.000 0.432 107 Y N 0.110 120.405 120.300 -0.008 0.000 2.224 107 Y HA -0.301 4.249 4.550 -0.000 0.000 0.289 107 Y C 2.466 178.274 175.900 -0.153 0.000 1.146 107 Y CA 1.729 59.806 58.100 -0.038 0.000 1.182 107 Y CB -0.362 38.122 38.460 0.040 0.000 0.983 107 Y HN 0.258 nan 8.280 nan 0.000 0.524 108 D N -0.009 120.420 120.400 0.049 0.000 2.103 108 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 108 D C 2.107 178.357 176.300 -0.084 0.000 0.997 108 D CA 1.285 55.270 54.000 -0.025 0.000 0.833 108 D CB -0.265 40.551 40.800 0.026 0.000 0.961 108 D HN 0.072 nan 8.370 nan 0.000 0.447 109 L N 0.834 122.014 121.223 -0.072 0.000 2.013 109 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 109 L C 2.614 179.386 176.870 -0.164 0.000 1.073 109 L CA 1.913 56.704 54.840 -0.082 0.000 0.753 109 L CB -1.713 40.293 42.059 -0.088 0.000 0.890 109 L HN 0.120 nan 8.230 nan 0.000 0.432 110 A N -0.681 121.974 122.820 -0.274 0.000 1.883 110 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 110 A C 2.496 179.635 177.584 -0.741 0.000 1.186 110 A CA 2.208 53.981 52.037 -0.441 0.000 0.624 110 A CB -0.878 17.832 19.000 -0.483 0.000 0.822 110 A HN 0.429 nan 8.150 nan 0.000 0.444 111 A N -0.937 121.330 122.820 -0.922 0.000 1.902 111 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 111 A C 2.119 179.529 177.584 -0.290 0.000 1.181 111 A CA 1.704 53.276 52.037 -0.776 0.000 0.623 111 A CB -0.622 18.095 19.000 -0.472 0.000 0.818 111 A HN 0.666 nan 8.150 nan 0.000 0.443 112 Q N -1.669 118.035 119.800 -0.161 0.000 2.135 112 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 112 Q C 2.025 178.045 176.000 0.033 0.000 0.981 112 Q CA 1.877 57.676 55.803 -0.007 0.000 0.856 112 Q CB -0.309 28.497 28.738 0.114 0.000 0.902 112 Q HN 0.949 nan 8.270 nan 0.000 0.425 113 H N -0.326 118.672 119.070 -0.121 0.000 2.457 113 H HA 0.033 4.589 4.556 -0.000 0.000 0.294 113 H C 1.513 176.806 175.328 -0.059 0.000 1.064 113 H CA 1.398 57.377 56.048 -0.115 0.000 1.330 113 H CB 0.140 29.802 29.762 -0.166 0.000 1.395 113 H HN 0.234 nan 8.280 nan 0.000 0.541 114 A N -0.525 122.264 122.820 -0.052 0.000 2.218 114 A HA 0.298 4.618 4.320 -0.000 0.000 0.209 114 A C 1.842 179.410 177.584 -0.026 0.000 1.168 114 A CA 0.643 52.676 52.037 -0.008 0.000 0.804 114 A CB -0.663 18.444 19.000 0.179 0.000 0.834 114 A HN 0.694 nan 8.150 nan 0.000 0.482 115 G N -0.818 107.955 108.800 -0.046 0.000 2.221 115 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.265 115 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.265 115 G C -0.119 174.769 174.900 -0.019 0.000 1.041 115 G CA 0.709 45.792 45.100 -0.028 0.000 0.807 115 G HN 0.507 nan 8.290 nan 0.000 0.502 116 L N 0.240 121.449 121.223 -0.022 0.000 2.341 116 L HA 0.608 4.948 4.340 -0.000 0.000 0.267 116 L C -1.907 174.921 176.870 -0.070 0.000 1.009 116 L CA -2.795 52.027 54.840 -0.031 0.000 0.819 116 L CB 2.414 44.490 42.059 0.029 0.000 1.323 116 L HN -0.125 nan 8.230 nan 0.000 0.425 117 P HA 0.011 nan 4.420 nan 0.000 0.269 117 P C 0.894 178.093 177.300 -0.168 0.000 1.215 117 P CA -0.223 62.822 63.100 -0.092 0.000 0.780 117 P CB 1.224 32.906 31.700 -0.029 0.000 0.898 118 L N 2.559 123.602 121.223 -0.299 0.000 2.021 118 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 118 L C 2.655 179.541 176.870 0.027 0.000 1.074 118 L CA 2.344 57.021 54.840 -0.271 0.000 0.760 118 L CB -0.854 40.762 42.059 -0.738 0.000 0.889 118 L HN 0.465 nan 8.230 nan 0.000 0.433 119 Y N -1.209 119.251 120.300 0.266 0.000 2.224 119 Y HA -0.127 4.423 4.550 -0.000 0.000 0.289 119 Y C 2.320 178.321 175.900 0.169 0.000 1.146 119 Y CA 1.016 59.283 58.100 0.279 0.000 1.182 119 Y CB -1.140 37.510 38.460 0.317 0.000 0.983 119 Y HN 0.097 nan 8.280 nan 0.000 0.524 120 A N 0.538 123.009 122.820 -0.582 0.000 1.929 120 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 120 A C 2.131 179.689 177.584 -0.044 0.000 1.176 120 A CA 1.187 53.031 52.037 -0.323 0.000 0.628 120 A CB -1.433 17.290 19.000 -0.462 0.000 0.816 120 A HN 0.621 nan 8.150 nan 0.000 0.444 121 F N 0.488 120.360 119.950 -0.131 0.000 2.269 121 F HA -0.037 4.490 4.527 -0.000 0.000 0.301 121 F C 1.443 177.255 175.800 0.020 0.000 1.082 121 F CA 1.252 59.231 58.000 -0.034 0.000 1.360 121 F CB -0.055 38.939 39.000 -0.009 0.000 1.041 121 F HN 0.116 nan 8.300 nan 0.000 0.512 122 L N -0.365 120.869 121.223 0.017 0.000 2.592 122 L HA 0.265 4.605 4.340 -0.000 0.000 0.227 122 L C 1.589 178.435 176.870 -0.040 0.000 1.127 122 L CA 0.570 55.382 54.840 -0.046 0.000 0.884 122 L CB -0.759 41.323 42.059 0.038 0.000 1.065 122 L HN 0.359 nan 8.230 nan 0.000 0.457 123 G N 0.114 108.896 108.800 -0.030 0.000 2.136 123 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 123 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 123 G C 0.428 175.361 174.900 0.055 0.000 0.989 123 G CA -0.092 45.004 45.100 -0.007 0.000 0.682 123 G HN 0.506 nan 8.290 nan 0.000 0.522 124 G N -0.563 108.311 108.800 0.124 0.000 2.531 124 G HA2 0.840 4.800 3.960 -0.000 0.000 0.313 124 G HA3 0.840 4.800 3.960 -0.000 0.000 0.313 124 G C -0.184 174.883 174.900 0.278 0.000 1.238 124 G CA -0.134 45.081 45.100 0.192 0.000 0.994 124 G HN 0.952 nan 8.290 nan 0.000 0.493 125 K N -0.684 119.860 120.400 0.240 0.000 2.575 125 K HA 0.342 4.662 4.320 -0.000 0.000 0.279 125 K C -1.340 175.287 176.600 0.044 0.000 0.969 125 K CA -1.003 55.421 56.287 0.228 0.000 0.868 125 K CB 2.058 34.643 32.500 0.142 0.000 1.457 125 K HN 0.308 nan 8.250 nan 0.000 0.426 126 K N 1.972 122.357 120.400 -0.024 0.000 2.111 126 K HA 0.046 4.366 4.320 -0.000 0.000 0.249 126 K C -0.724 175.840 176.600 -0.059 0.000 1.157 126 K CA 0.014 56.220 56.287 -0.136 0.000 1.048 126 K CB -0.127 32.262 32.500 -0.184 0.000 1.498 126 K HN 0.588 nan 8.250 nan 0.000 0.344 127 D N 1.365 121.740 120.400 -0.042 0.000 2.535 127 D HA 0.019 4.658 4.640 -0.000 0.000 0.229 127 D C -0.341 175.941 176.300 -0.029 0.000 1.238 127 D CA -0.418 53.569 54.000 -0.023 0.000 0.824 127 D CB 0.238 41.038 40.800 0.000 0.000 1.045 127 D HN 0.335 nan 8.370 nan 0.000 0.500 128 K N -0.076 120.294 120.400 -0.051 0.000 2.575 128 K HA 0.468 4.787 4.320 -0.000 0.000 0.279 128 K C -0.826 175.717 176.600 -0.094 0.000 0.969 128 K CA -1.190 55.068 56.287 -0.048 0.000 0.868 128 K CB 1.368 33.861 32.500 -0.011 0.000 1.457 128 K HN 0.049 nan 8.250 nan 0.000 0.426 129 I N -0.468 120.046 120.570 -0.093 0.000 2.365 129 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 129 I C -0.553 175.413 176.117 -0.252 0.000 1.004 129 I CA -0.863 60.351 61.300 -0.144 0.000 1.311 129 I CB 0.629 38.570 38.000 -0.098 0.000 1.401 129 I HN 0.471 nan 8.210 nan 0.000 0.491 130 I N 5.937 126.268 120.570 -0.398 0.000 2.304 130 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 130 I C -0.053 175.755 176.117 -0.515 0.000 1.018 130 I CA -0.007 60.807 61.300 -0.809 0.000 1.260 130 I CB 1.091 38.635 38.000 -0.761 0.000 1.390 130 I HN 0.703 nan 8.210 nan 0.000 0.475 131 Q N 5.273 124.830 119.800 -0.405 0.000 2.327 131 Q HA 0.305 4.645 4.340 -0.000 0.000 0.270 131 Q C -0.602 175.418 176.000 0.032 0.000 1.022 131 Q CA -0.479 55.267 55.803 -0.095 0.000 0.773 131 Q CB 1.986 30.732 28.738 0.013 0.000 1.251 131 Q HN 0.616 nan 8.270 nan 0.000 0.457 132 T N 2.440 117.027 114.554 0.056 0.000 2.904 132 T HA 0.201 4.550 4.350 -0.000 0.000 0.290 132 T C -0.226 174.584 174.700 0.184 0.000 1.018 132 T CA -0.437 61.720 62.100 0.096 0.000 1.075 132 T CB 0.533 69.491 68.868 0.151 0.000 0.986 132 T HN 0.773 nan 8.240 nan 0.000 0.523 133 D N 1.444 121.905 120.400 0.101 0.000 2.478 133 D HA 0.318 4.958 4.640 -0.000 0.000 0.274 133 D C -0.972 175.317 176.300 -0.017 0.000 1.234 133 D CA -0.300 53.749 54.000 0.081 0.000 1.069 133 D CB 0.262 41.083 40.800 0.035 0.000 1.113 133 D HN 0.592 nan 8.370 nan 0.000 0.571 134 Y N -2.053 118.105 120.300 -0.237 0.000 2.534 134 Y HA 0.408 4.957 4.550 -0.000 0.000 0.345 134 Y C -1.015 174.784 175.900 -0.167 0.000 1.031 134 Y CA -0.804 57.074 58.100 -0.371 0.000 1.022 134 Y CB 2.444 40.395 38.460 -0.849 0.000 1.292 134 Y HN 0.359 nan 8.280 nan 0.000 0.459 135 T N 4.718 119.156 114.554 -0.192 0.000 2.767 135 T HA 0.397 4.747 4.350 -0.000 0.000 0.288 135 T C -0.965 173.797 174.700 0.102 0.000 0.963 135 T CA -0.518 61.573 62.100 -0.015 0.000 1.019 135 T CB 0.802 69.689 68.868 0.032 0.000 0.923 135 T HN 0.368 nan 8.240 nan 0.000 0.468 136 V N 4.177 124.133 119.914 0.071 0.000 2.368 136 V HA 0.211 4.330 4.120 -0.000 0.000 0.266 136 V C 0.765 176.848 176.094 -0.019 0.000 1.045 136 V CA -0.587 61.745 62.300 0.054 0.000 0.899 136 V CB 0.818 32.662 31.823 0.034 0.000 1.006 136 V HN 0.973 nan 8.190 nan 0.000 0.470 137 S N 4.628 120.306 115.700 -0.036 0.000 2.566 137 S HA 0.227 4.697 4.470 -0.000 0.000 0.280 137 S C 0.167 174.705 174.600 -0.102 0.000 1.343 137 S CA -0.167 57.948 58.200 -0.143 0.000 1.036 137 S CB 0.485 63.611 63.200 -0.125 0.000 0.866 137 S HN 0.671 nan 8.310 nan 0.000 0.526 138 I N 2.755 123.245 120.570 -0.134 0.000 2.452 138 I HA 0.149 4.318 4.170 -0.000 0.000 0.287 138 I C 0.105 176.187 176.117 -0.058 0.000 1.079 138 I CA 0.592 61.840 61.300 -0.087 0.000 1.387 138 I CB -0.004 37.939 38.000 -0.096 0.000 1.404 138 I HN 0.564 nan 8.210 nan 0.000 0.522 139 D N 5.527 125.906 120.400 -0.036 0.000 2.921 139 D HA 0.133 4.773 4.640 -0.000 0.000 0.329 139 D C -1.130 175.160 176.300 -0.016 0.000 1.293 139 D CA -0.470 53.518 54.000 -0.020 0.000 0.964 139 D CB 1.332 42.127 40.800 -0.009 0.000 1.435 139 D HN 0.410 nan 8.370 nan 0.000 0.548 140 E N 1.079 121.276 120.200 -0.005 0.000 2.414 140 E HA 0.065 4.414 4.350 -0.000 0.000 0.263 140 E C -1.789 174.794 176.600 -0.028 0.000 1.000 140 E CA -1.017 55.377 56.400 -0.009 0.000 0.914 140 E CB 1.345 31.057 29.700 0.019 0.000 0.948 140 E HN 0.029 nan 8.360 nan 0.000 0.444 141 P HA -0.166 nan 4.420 nan 0.000 0.216 141 P C 0.871 178.095 177.300 -0.126 0.000 1.150 141 P CA 1.225 64.244 63.100 -0.135 0.000 0.837 141 P CB 0.090 31.662 31.700 -0.214 0.000 0.786 142 H N -0.530 118.538 119.070 -0.004 0.000 2.321 142 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 142 H C 2.015 177.343 175.328 0.000 0.000 1.087 142 H CA 1.206 57.253 56.048 -0.001 0.000 1.319 142 H CB -0.615 29.147 29.762 0.001 0.000 1.379 142 H HN 0.011 nan 8.280 nan 0.000 0.501 143 K N 1.064 121.538 120.400 0.122 0.000 2.074 143 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 143 K C 2.276 178.902 176.600 0.043 0.000 1.048 143 K CA 1.189 57.516 56.287 0.067 0.000 0.926 143 K CB -0.334 32.194 32.500 0.046 0.000 0.713 143 K HN 0.297 nan 8.250 nan 0.000 0.444 144 M N -0.469 119.145 119.600 0.024 0.000 2.132 144 M HA -0.137 4.342 4.480 -0.000 0.000 0.263 144 M C 2.318 178.628 176.300 0.016 0.000 1.065 144 M CA 1.608 56.914 55.300 0.010 0.000 1.122 144 M CB -0.325 32.267 32.600 -0.014 0.000 1.365 144 M HN 0.127 nan 8.290 nan 0.000 0.411 145 A N 0.594 123.426 122.820 0.021 0.000 1.902 145 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 145 A C 2.391 179.997 177.584 0.038 0.000 1.181 145 A CA 1.991 54.045 52.037 0.029 0.000 0.623 145 A CB -1.002 18.025 19.000 0.046 0.000 0.818 145 A HN 0.493 nan 8.150 nan 0.000 0.443 146 A N 0.184 123.033 122.820 0.048 0.000 1.883 146 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 146 A C 1.785 179.386 177.584 0.028 0.000 1.186 146 A CA 2.065 54.124 52.037 0.038 0.000 0.624 146 A CB -0.703 18.321 19.000 0.039 0.000 0.822 146 A HN 0.483 nan 8.150 nan 0.000 0.444 147 D N -0.028 120.390 120.400 0.030 0.000 2.117 147 D HA -0.050 4.589 4.640 -0.000 0.000 0.197 147 D C 2.247 178.560 176.300 0.022 0.000 0.987 147 D CA 1.513 55.530 54.000 0.029 0.000 0.829 147 D CB -0.536 40.291 40.800 0.045 0.000 0.961 147 D HN 0.435 nan 8.370 nan 0.000 0.460 148 A N 0.729 123.564 122.820 0.026 0.000 1.908 148 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 148 A C 2.552 180.149 177.584 0.022 0.000 1.181 148 A CA 1.431 53.483 52.037 0.025 0.000 0.627 148 A CB -0.802 18.211 19.000 0.022 0.000 0.818 148 A HN 0.147 nan 8.150 nan 0.000 0.445 149 V N -0.236 119.690 119.914 0.021 0.000 2.237 149 V HA -0.313 3.806 4.120 -0.000 0.000 0.245 149 V C 2.733 178.834 176.094 0.011 0.000 1.046 149 V CA 2.418 64.729 62.300 0.018 0.000 1.007 149 V CB -0.896 30.938 31.823 0.018 0.000 0.638 149 V HN 0.697 nan 8.190 nan 0.000 0.445 150 Q N 0.029 119.831 119.800 0.003 0.000 2.173 150 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 150 Q C 1.867 177.854 176.000 -0.021 0.000 0.989 150 Q CA 2.114 57.910 55.803 -0.010 0.000 0.872 150 Q CB -0.547 28.182 28.738 -0.016 0.000 0.909 150 Q HN 0.693 nan 8.270 nan 0.000 0.420 151 I N -0.182 120.370 120.570 -0.030 0.000 2.252 151 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 151 I C 2.428 178.601 176.117 0.093 0.000 1.102 151 I CA 1.345 62.627 61.300 -0.030 0.000 1.385 151 I CB -0.353 37.602 38.000 -0.075 0.000 1.064 151 I HN 0.237 nan 8.210 nan 0.000 0.414 152 K N 1.394 121.831 120.400 0.061 0.000 2.057 152 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 152 K C 2.203 178.821 176.600 0.031 0.000 1.049 152 K CA 1.442 57.765 56.287 0.061 0.000 0.931 152 K CB -0.003 32.522 32.500 0.042 0.000 0.714 152 K HN 0.117 nan 8.250 nan 0.000 0.440 153 K N 0.412 120.821 120.400 0.015 0.000 2.063 153 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 153 K C 1.555 178.142 176.600 -0.021 0.000 1.048 153 K CA 1.538 57.822 56.287 -0.004 0.000 0.928 153 K CB -0.028 32.468 32.500 -0.006 0.000 0.713 153 K HN 0.174 nan 8.250 nan 0.000 0.442 154 N N -0.644 118.050 118.700 -0.011 0.000 2.550 154 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 154 N C 0.933 176.337 175.510 -0.177 0.000 1.110 154 N CA 1.199 54.217 53.050 -0.052 0.000 0.912 154 N CB 0.688 39.187 38.487 0.020 0.000 0.968 154 N HN 0.478 nan 8.380 nan 0.000 0.448 155 G N -0.812 107.913 108.800 -0.125 0.000 2.184 155 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.206 155 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.206 155 G C -0.093 174.688 174.900 -0.200 0.000 0.995 155 G CA -0.574 44.415 45.100 -0.185 0.000 0.651 155 G HN 0.196 nan 8.290 nan 0.000 0.511 156 F N 1.523 121.459 119.950 -0.022 0.000 2.529 156 F HA 0.456 4.983 4.527 -0.000 0.000 0.365 156 F C 1.586 177.395 175.800 0.016 0.000 1.102 156 F CA 0.525 58.532 58.000 0.010 0.000 1.271 156 F CB 0.807 39.820 39.000 0.021 0.000 1.120 156 F HN 0.128 nan 8.300 nan 0.000 0.579 157 E N 2.137 122.462 120.200 0.208 0.000 2.489 157 E HA 0.243 4.593 4.350 -0.000 0.000 0.204 157 E C -0.291 176.380 176.600 0.118 0.000 1.006 157 E CA 0.228 56.700 56.400 0.120 0.000 0.936 157 E CB 0.570 30.314 29.700 0.073 0.000 1.002 157 E HN 0.418 nan 8.360 nan 0.000 0.488 158 I N 1.874 122.538 120.570 0.156 0.000 2.466 158 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 158 I C -0.573 175.599 176.117 0.092 0.000 1.026 158 I CA -0.690 60.672 61.300 0.102 0.000 1.078 158 I CB 2.019 40.078 38.000 0.099 0.000 1.249 158 I HN -0.150 nan 8.210 nan 0.000 0.429 159 I N 5.613 126.212 120.570 0.049 0.000 2.404 159 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 159 I C -0.199 175.921 176.117 0.005 0.000 0.992 159 I CA -0.722 60.602 61.300 0.040 0.000 1.149 159 I CB 1.944 39.968 38.000 0.040 0.000 1.315 159 I HN 0.518 nan 8.210 nan 0.000 0.446 160 K N 6.324 126.729 120.400 0.007 0.000 2.293 160 K HA 0.559 4.879 4.320 -0.000 0.000 0.267 160 K C -1.389 175.207 176.600 -0.007 0.000 1.010 160 K CA -0.461 55.820 56.287 -0.011 0.000 0.875 160 K CB 1.315 33.808 32.500 -0.011 0.000 1.106 160 K HN 0.411 nan 8.250 nan 0.000 0.450 161 V N 4.994 124.897 119.914 -0.018 0.000 2.398 161 V HA 0.279 4.399 4.120 -0.000 0.000 0.286 161 V C -0.227 175.840 176.094 -0.044 0.000 1.026 161 V CA -0.984 61.302 62.300 -0.023 0.000 0.868 161 V CB 1.409 33.220 31.823 -0.019 0.000 0.982 161 V HN 0.668 nan 8.190 nan 0.000 0.443 162 K N 4.579 124.939 120.400 -0.067 0.000 2.284 162 K HA 0.445 4.765 4.320 -0.000 0.000 0.287 162 K C -0.142 176.403 176.600 -0.093 0.000 1.081 162 K CA 0.015 56.240 56.287 -0.104 0.000 0.910 162 K CB 1.444 33.851 32.500 -0.154 0.000 1.088 162 K HN 0.652 nan 8.250 nan 0.000 0.478 163 V N -1.257 118.589 119.914 -0.113 0.000 3.240 163 V HA 0.933 5.053 4.120 -0.000 0.000 0.306 163 V C 0.803 176.755 176.094 -0.236 0.000 1.227 163 V CA -0.158 62.092 62.300 -0.084 0.000 1.047 163 V CB 1.421 33.275 31.823 0.052 0.000 1.203 163 V HN 0.796 nan 8.190 nan 0.000 0.471 164 G N -1.780 106.890 108.800 -0.217 0.000 2.321 164 G HA2 0.143 4.103 3.960 -0.000 0.000 0.174 164 G HA3 0.143 4.103 3.960 -0.000 0.000 0.174 164 G C 0.369 175.248 174.900 -0.035 0.000 1.008 164 G CA 0.166 45.002 45.100 -0.440 0.000 0.739 164 G HN 1.520 nan 8.290 nan 0.000 0.502 165 G N 0.653 109.539 108.800 0.143 0.000 2.546 165 G HA2 0.612 4.572 3.960 -0.000 0.000 0.239 165 G HA3 0.612 4.572 3.960 -0.000 0.000 0.239 165 G C 0.917 175.970 174.900 0.254 0.000 1.476 165 G CA 0.738 45.930 45.100 0.153 0.000 1.064 165 G HN 1.504 nan 8.290 nan 0.000 0.561 166 S N -1.031 114.756 115.700 0.146 0.000 2.584 166 S HA 0.119 4.589 4.470 -0.000 0.000 0.270 166 S C 1.383 176.025 174.600 0.069 0.000 1.346 166 S CA 0.232 58.493 58.200 0.103 0.000 1.018 166 S CB 1.555 64.786 63.200 0.050 0.000 0.899 166 S HN 0.733 nan 8.310 nan 0.000 0.542 167 K N 1.134 121.521 120.400 -0.023 0.000 2.032 167 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 167 K C 1.962 178.529 176.600 -0.055 0.000 1.048 167 K CA 1.953 58.175 56.287 -0.109 0.000 0.927 167 K CB -0.378 32.035 32.500 -0.146 0.000 0.712 167 K HN 0.812 nan 8.250 nan 0.000 0.441 168 E N 0.300 120.482 120.200 -0.030 0.000 2.049 168 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 168 E C 2.045 178.636 176.600 -0.015 0.000 1.007 168 E CA 1.419 57.807 56.400 -0.021 0.000 0.809 168 E CB -0.119 29.574 29.700 -0.012 0.000 0.749 168 E HN 0.201 nan 8.360 nan 0.000 0.450 169 L N 1.259 122.483 121.223 0.002 0.000 2.156 169 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 169 L C 1.474 178.347 176.870 0.005 0.000 1.095 169 L CA 1.718 56.559 54.840 0.001 0.000 0.770 169 L CB -0.166 41.903 42.059 0.016 0.000 0.914 169 L HN -0.023 nan 8.230 nan 0.000 0.439 170 D N -1.269 119.157 120.400 0.044 0.000 2.149 170 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 170 D C 2.329 178.625 176.300 -0.007 0.000 0.972 170 D CA 1.229 55.273 54.000 0.074 0.000 0.835 170 D CB -0.009 40.930 40.800 0.230 0.000 0.966 170 D HN 0.189 nan 8.370 nan 0.000 0.476 171 V N 0.811 120.702 119.914 -0.038 0.000 2.358 171 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 171 V C 2.393 178.403 176.094 -0.141 0.000 1.047 171 V CA 1.604 63.850 62.300 -0.091 0.000 1.035 171 V CB -0.394 31.404 31.823 -0.042 0.000 0.658 171 V HN 0.217 nan 8.190 nan 0.000 0.452 172 E N 0.172 120.318 120.200 -0.090 0.000 2.077 172 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 172 E C 2.440 178.960 176.600 -0.133 0.000 0.989 172 E CA 1.286 57.625 56.400 -0.102 0.000 0.800 172 E CB -0.023 29.630 29.700 -0.079 0.000 0.746 172 E HN 0.518 nan 8.360 nan 0.000 0.452 173 R N 0.070 120.503 120.500 -0.111 0.000 2.080 173 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 173 R C 2.409 178.623 176.300 -0.142 0.000 1.137 173 R CA 1.541 57.578 56.100 -0.105 0.000 0.943 173 R CB -0.260 30.004 30.300 -0.059 0.000 0.846 173 R HN 0.259 nan 8.270 nan 0.000 0.431 174 I N 0.735 121.187 120.570 -0.197 0.000 2.226 174 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 174 I C 2.489 178.343 176.117 -0.439 0.000 1.100 174 I CA 1.338 62.467 61.300 -0.286 0.000 1.374 174 I CB -0.983 36.819 38.000 -0.331 0.000 1.057 174 I HN 0.227 nan 8.210 nan 0.000 0.413 175 R N 0.791 120.942 120.500 -0.581 0.000 2.088 175 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 175 R C 2.393 178.613 176.300 -0.135 0.000 1.136 175 R CA 1.651 57.487 56.100 -0.439 0.000 0.926 175 R CB -0.223 29.946 30.300 -0.218 0.000 0.837 175 R HN 0.173 nan 8.270 nan 0.000 0.429 176 M N 0.229 119.763 119.600 -0.110 0.000 2.260 176 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 176 M C 2.173 178.456 176.300 -0.028 0.000 1.066 176 M CA 1.502 56.771 55.300 -0.052 0.000 1.082 176 M CB -0.269 32.279 32.600 -0.086 0.000 1.388 176 M HN 0.331 nan 8.290 nan 0.000 0.419 177 I N -1.037 119.501 120.570 -0.054 0.000 2.339 177 I HA -0.199 3.970 4.170 -0.000 0.000 0.245 177 I C 2.529 178.646 176.117 0.000 0.000 1.096 177 I CA 0.733 62.018 61.300 -0.025 0.000 1.408 177 I CB -0.268 37.709 38.000 -0.038 0.000 1.092 177 I HN 0.145 nan 8.210 nan 0.000 0.423 178 R N 1.085 121.584 120.500 -0.002 0.000 2.120 178 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 178 R C 1.994 178.338 176.300 0.073 0.000 1.123 178 R CA 1.394 57.532 56.100 0.064 0.000 0.975 178 R CB -0.398 30.003 30.300 0.168 0.000 0.866 178 R HN 0.343 nan 8.270 nan 0.000 0.446 179 E N -1.410 118.828 120.200 0.062 0.000 2.152 179 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 179 E C 0.786 177.414 176.600 0.046 0.000 0.983 179 E CA 1.058 57.495 56.400 0.062 0.000 0.818 179 E CB 0.099 29.834 29.700 0.058 0.000 0.758 179 E HN 0.372 nan 8.360 nan 0.000 0.467 180 A N -0.843 122.000 122.820 0.038 0.000 2.430 180 A HA 0.524 4.844 4.320 -0.000 0.000 0.243 180 A C 1.203 178.806 177.584 0.031 0.000 1.254 180 A CA 0.538 52.596 52.037 0.035 0.000 0.914 180 A CB 0.632 19.655 19.000 0.039 0.000 0.998 180 A HN 0.227 nan 8.150 nan 0.000 0.515 181 A N -1.842 120.997 122.820 0.032 0.000 2.591 181 A HA 0.567 4.887 4.320 -0.000 0.000 0.204 181 A C 1.032 178.635 177.584 0.032 0.000 1.410 181 A CA 0.941 52.996 52.037 0.030 0.000 1.065 181 A CB 0.012 19.030 19.000 0.030 0.000 1.362 181 A HN 2.082 nan 8.150 nan 0.000 0.566 182 G N -0.470 108.352 108.800 0.037 0.000 2.479 182 G HA2 0.097 4.057 3.960 -0.000 0.000 0.686 182 G HA3 0.097 4.057 3.960 -0.000 0.000 0.686 182 G C -0.742 174.184 174.900 0.043 0.000 1.295 182 G CA 0.076 45.198 45.100 0.036 0.000 0.922 182 G HN -0.013 nan 8.290 nan 0.000 0.582 183 D N -0.467 119.956 120.400 0.038 0.000 2.398 183 D HA 0.164 4.804 4.640 -0.000 0.000 0.210 183 D C 2.351 178.669 176.300 0.031 0.000 1.094 183 D CA 1.139 55.163 54.000 0.041 0.000 0.839 183 D CB 0.535 41.355 40.800 0.033 0.000 0.963 183 D HN 0.538 nan 8.370 nan 0.000 0.506 184 S N -0.169 115.547 115.700 0.027 0.000 2.470 184 S HA 0.097 4.567 4.470 -0.000 0.000 0.222 184 S C 1.073 175.688 174.600 0.026 0.000 1.024 184 S CA -0.384 57.829 58.200 0.023 0.000 0.931 184 S CB 0.355 63.566 63.200 0.019 0.000 0.791 184 S HN 0.170 nan 8.310 nan 0.000 0.513 185 I N 3.912 124.500 120.570 0.030 0.000 2.598 185 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 185 I C 0.506 176.640 176.117 0.029 0.000 1.140 185 I CA 0.034 61.354 61.300 0.034 0.000 1.420 185 I CB 0.947 38.971 38.000 0.040 0.000 1.387 185 I HN 0.257 nan 8.210 nan 0.000 0.553 186 T N 7.907 122.477 114.554 0.027 0.000 2.870 186 T HA 0.427 4.777 4.350 -0.000 0.000 0.300 186 T C -0.563 174.131 174.700 -0.010 0.000 0.989 186 T CA -0.651 61.453 62.100 0.007 0.000 1.139 186 T CB 0.390 69.264 68.868 0.011 0.000 0.920 186 T HN 0.439 nan 8.240 nan 0.000 0.537 187 L N 2.818 124.020 121.223 -0.035 0.000 2.401 187 L HA 0.839 5.179 4.340 -0.000 0.000 0.266 187 L C -0.425 176.373 176.870 -0.119 0.000 0.991 187 L CA -1.255 53.553 54.840 -0.053 0.000 0.818 187 L CB 1.912 43.961 42.059 -0.017 0.000 1.321 187 L HN 0.874 nan 8.230 nan 0.000 0.413 188 R N 3.076 123.489 120.500 -0.145 0.000 2.740 188 R HA 0.945 5.285 4.340 -0.000 0.000 0.282 188 R C -0.882 175.374 176.300 -0.073 0.000 0.969 188 R CA -0.871 55.102 56.100 -0.211 0.000 0.918 188 R CB 2.162 32.210 30.300 -0.421 0.000 1.175 188 R HN 0.923 nan 8.270 nan 0.000 0.464 189 I N -1.620 118.939 120.570 -0.018 0.000 2.846 189 I HA 0.630 4.799 4.170 -0.000 0.000 0.307 189 I C -1.236 174.881 176.117 0.000 0.000 1.053 189 I CA -0.930 60.374 61.300 0.005 0.000 1.050 189 I CB 2.512 40.540 38.000 0.047 0.000 1.239 189 I HN 0.562 nan 8.210 nan 0.000 0.439 190 D N 2.778 123.142 120.400 -0.059 0.000 2.763 190 D HA 0.531 5.171 4.640 -0.000 0.000 0.235 190 D C -0.027 176.140 176.300 -0.222 0.000 1.334 190 D CA -0.375 53.559 54.000 -0.110 0.000 0.950 190 D CB 2.399 43.151 40.800 -0.079 0.000 1.433 190 D HN 0.760 nan 8.370 nan 0.000 0.580 191 A N 3.448 126.052 122.820 -0.359 0.000 2.147 191 A HA 0.109 4.429 4.320 -0.000 0.000 0.211 191 A C 0.795 178.143 177.584 -0.393 0.000 1.160 191 A CA 0.020 51.694 52.037 -0.605 0.000 0.781 191 A CB -0.183 18.085 19.000 -1.220 0.000 0.842 191 A HN 0.687 nan 8.150 nan 0.000 0.475 192 N N 0.402 118.959 118.700 -0.240 0.000 2.688 192 N HA -0.234 4.506 4.740 -0.000 0.000 0.258 192 N C -0.381 175.048 175.510 -0.134 0.000 1.016 192 N CA 1.306 54.271 53.050 -0.142 0.000 0.747 192 N CB -1.503 36.931 38.487 -0.089 0.000 0.895 192 N HN 0.773 nan 8.380 nan 0.000 0.543 193 Q N -3.924 115.789 119.800 -0.146 0.000 2.489 193 Q HA -0.238 4.102 4.340 -0.000 0.000 0.259 193 Q C 1.290 177.225 176.000 -0.108 0.000 0.934 193 Q CA 1.117 56.869 55.803 -0.085 0.000 1.131 193 Q CB -1.824 26.900 28.738 -0.023 0.000 1.472 193 Q HN 0.671 nan 8.270 nan 0.000 0.560 194 G N -0.899 107.745 108.800 -0.261 0.000 2.511 194 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.217 194 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.217 194 G C 0.113 174.967 174.900 -0.076 0.000 1.133 194 G CA 0.152 45.108 45.100 -0.241 0.000 0.792 194 G HN 0.225 nan 8.290 nan 0.000 0.539 195 W N 1.001 122.310 121.300 0.016 0.000 2.509 195 W HA 0.614 5.273 4.660 -0.000 0.000 0.351 195 W C 0.624 177.153 176.519 0.017 0.000 1.107 195 W CA -1.687 55.666 57.345 0.014 0.000 1.264 195 W CB 0.635 30.102 29.460 0.012 0.000 1.312 195 W HN 0.062 nan 8.180 nan 0.000 0.608 196 S N -0.336 115.520 115.700 0.260 0.000 2.614 196 S HA 0.213 4.683 4.470 -0.000 0.000 0.265 196 S C 0.804 175.487 174.600 0.139 0.000 1.303 196 S CA -0.636 57.654 58.200 0.149 0.000 1.000 196 S CB 1.211 64.467 63.200 0.093 0.000 0.935 196 S HN 0.251 nan 8.310 nan 0.000 0.551 197 V N 1.159 121.129 119.914 0.094 0.000 2.317 197 V HA -0.188 3.932 4.120 -0.000 0.000 0.251 197 V C 2.788 178.907 176.094 0.042 0.000 1.065 197 V CA 2.570 64.914 62.300 0.074 0.000 1.049 197 V CB -1.318 30.533 31.823 0.046 0.000 0.651 197 V HN 0.951 nan 8.190 nan 0.000 0.450 198 E N 0.462 120.676 120.200 0.023 0.000 2.005 198 E HA -0.188 4.162 4.350 -0.000 0.000 0.198 198 E C 2.347 178.913 176.600 -0.056 0.000 1.010 198 E CA 2.196 58.590 56.400 -0.011 0.000 0.825 198 E CB -0.806 28.889 29.700 -0.008 0.000 0.769 198 E HN 0.581 nan 8.360 nan 0.000 0.456 199 T N 0.726 115.243 114.554 -0.061 0.000 2.760 199 T HA -0.248 4.101 4.350 -0.000 0.000 0.269 199 T C 1.742 176.210 174.700 -0.386 0.000 1.047 199 T CA 1.455 63.444 62.100 -0.185 0.000 1.139 199 T CB -0.533 68.263 68.868 -0.120 0.000 0.855 199 T HN 0.337 nan 8.240 nan 0.000 0.471 200 A N 1.331 124.038 122.820 -0.187 0.000 1.845 200 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 200 A C 2.295 179.732 177.584 -0.245 0.000 1.195 200 A CA 1.443 53.369 52.037 -0.184 0.000 0.616 200 A CB -0.804 18.326 19.000 0.217 0.000 0.832 200 A HN 0.527 nan 8.150 nan 0.000 0.443 201 I N -0.388 120.114 120.570 -0.112 0.000 2.179 201 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 201 I C 2.524 178.563 176.117 -0.130 0.000 1.088 201 I CA 1.738 62.986 61.300 -0.086 0.000 1.357 201 I CB -0.567 37.408 38.000 -0.040 0.000 1.051 201 I HN 0.439 nan 8.210 nan 0.000 0.409 202 E N 0.334 120.439 120.200 -0.159 0.000 2.077 202 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 202 E C 2.143 178.617 176.600 -0.210 0.000 0.989 202 E CA 1.882 58.189 56.400 -0.155 0.000 0.800 202 E CB -0.188 29.427 29.700 -0.142 0.000 0.746 202 E HN 0.457 nan 8.360 nan 0.000 0.452 203 T N 1.217 115.547 114.554 -0.374 0.000 2.904 203 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 203 T C 1.872 176.384 174.700 -0.313 0.000 1.059 203 T CA 0.547 62.380 62.100 -0.446 0.000 1.137 203 T CB 0.009 68.328 68.868 -0.915 0.000 0.879 203 T HN 0.068 nan 8.240 nan 0.000 0.467 204 L N 1.282 122.338 121.223 -0.278 0.000 2.179 204 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 204 L C 2.945 179.790 176.870 -0.042 0.000 1.096 204 L CA 1.276 56.053 54.840 -0.105 0.000 0.779 204 L CB -0.682 41.356 42.059 -0.035 0.000 0.922 204 L HN 0.426 nan 8.230 nan 0.000 0.443 205 T N -2.906 111.613 114.554 -0.058 0.000 2.942 205 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 205 T C 1.800 176.489 174.700 -0.017 0.000 1.062 205 T CA 0.449 62.532 62.100 -0.029 0.000 1.139 205 T CB -0.281 68.567 68.868 -0.033 0.000 0.883 205 T HN 0.174 nan 8.240 nan 0.000 0.468 206 L N -0.061 121.144 121.223 -0.030 0.000 2.362 206 L HA 0.228 4.567 4.340 -0.000 0.000 0.219 206 L C 2.121 179.047 176.870 0.094 0.000 1.134 206 L CA 0.765 55.610 54.840 0.009 0.000 0.807 206 L CB -0.189 41.857 42.059 -0.021 0.000 0.927 206 L HN 0.306 nan 8.230 nan 0.000 0.447 207 L N -1.527 119.747 121.223 0.086 0.000 2.556 207 L HA -0.021 4.319 4.340 -0.000 0.000 0.226 207 L C 2.242 179.229 176.870 0.194 0.000 1.089 207 L CA 0.123 55.083 54.840 0.199 0.000 0.864 207 L CB -0.133 41.992 42.059 0.110 0.000 1.067 207 L HN 0.218 nan 8.230 nan 0.000 0.477 208 E N 1.542 121.792 120.200 0.083 0.000 2.114 208 E HA -0.254 4.095 4.350 -0.000 0.000 0.199 208 E C -0.611 175.996 176.600 0.012 0.000 1.008 208 E CA 1.734 58.160 56.400 0.043 0.000 0.810 208 E CB -0.573 29.134 29.700 0.012 0.000 0.739 208 E HN 0.285 nan 8.360 nan 0.000 0.456 209 P HA -0.181 nan 4.420 nan 0.000 0.217 209 P C 0.272 177.432 177.300 -0.234 0.000 1.151 209 P CA 1.387 64.362 63.100 -0.209 0.000 0.849 209 P CB -0.196 31.263 31.700 -0.401 0.000 0.787 210 Y N -2.068 118.229 120.300 -0.005 0.000 2.477 210 Y HA 0.130 4.680 4.550 -0.000 0.000 0.303 210 Y C 0.613 176.511 175.900 -0.004 0.000 1.202 210 Y CA -0.166 57.932 58.100 -0.003 0.000 1.282 210 Y CB -1.266 37.193 38.460 -0.000 0.000 1.071 210 Y HN -0.053 nan 8.280 nan 0.000 0.510 211 N N 1.316 120.070 118.700 0.090 0.000 2.608 211 N HA -0.221 4.518 4.740 -0.000 0.000 0.273 211 N C -1.003 174.535 175.510 0.046 0.000 1.133 211 N CA 0.479 53.559 53.050 0.049 0.000 0.726 211 N CB -1.210 37.295 38.487 0.030 0.000 0.890 211 N HN 0.534 nan 8.380 nan 0.000 0.548 212 I N -0.901 119.694 120.570 0.042 0.000 2.460 212 I HA 0.400 4.570 4.170 -0.000 0.000 0.298 212 I C 1.383 177.472 176.117 -0.046 0.000 0.989 212 I CA -0.492 60.810 61.300 0.003 0.000 1.173 212 I CB 1.731 39.748 38.000 0.029 0.000 1.338 212 I HN 0.427 nan 8.210 nan 0.000 0.456 213 Q N 3.096 122.807 119.800 -0.148 0.000 2.046 213 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 213 Q C -0.611 175.255 176.000 -0.224 0.000 0.975 213 Q CA 1.858 57.514 55.803 -0.245 0.000 0.836 213 Q CB 0.047 28.518 28.738 -0.446 0.000 0.896 213 Q HN 0.953 nan 8.270 nan 0.000 0.428 214 H N -3.848 115.162 119.070 -0.100 0.000 3.005 214 H HA 0.358 4.914 4.556 -0.000 0.000 0.311 214 H C -1.905 173.392 175.328 -0.052 0.000 1.366 214 H CA -1.499 54.499 56.048 -0.083 0.000 1.210 214 H CB 0.455 30.127 29.762 -0.151 0.000 1.894 214 H HN 0.093 nan 8.280 nan 0.000 0.520 215 C N 1.913 121.336 119.300 0.205 0.000 2.345 215 C HA 0.542 5.001 4.460 -0.000 0.000 0.323 215 C C -0.284 174.755 174.990 0.081 0.000 1.276 215 C CA -0.210 58.897 59.018 0.147 0.000 1.543 215 C CB -0.211 27.634 27.740 0.176 0.000 2.211 215 C HN 0.845 nan 8.230 nan 0.000 0.493 216 E N 2.588 122.807 120.200 0.032 0.000 2.259 216 E HA 0.240 4.590 4.350 -0.000 0.000 0.281 216 E C -0.150 176.420 176.600 -0.051 0.000 1.027 216 E CA 0.148 56.531 56.400 -0.028 0.000 0.838 216 E CB 0.733 30.403 29.700 -0.049 0.000 1.066 216 E HN 0.756 nan 8.360 nan 0.000 0.401 217 E N 2.873 123.058 120.200 -0.025 0.000 2.272 217 E HA -0.194 4.156 4.350 -0.000 0.000 0.160 217 E C -1.919 174.638 176.600 -0.071 0.000 1.627 217 E CA 0.011 56.395 56.400 -0.027 0.000 0.641 217 E CB -0.137 29.536 29.700 -0.046 0.000 1.060 217 E HN 0.339 nan 8.360 nan 0.000 0.324 218 P HA -0.081 nan 4.420 nan 0.000 0.219 218 P C 0.601 177.938 177.300 0.061 0.000 1.150 218 P CA 1.529 64.647 63.100 0.029 0.000 0.814 218 P CB 0.105 31.994 31.700 0.314 0.000 0.787 219 V N -4.249 115.717 119.914 0.087 0.000 3.126 219 V HA 0.601 4.721 4.120 -0.000 0.000 0.314 219 V C 0.284 176.414 176.094 0.060 0.000 1.138 219 V CA -1.439 60.918 62.300 0.095 0.000 1.034 219 V CB 1.008 32.909 31.823 0.129 0.000 1.075 219 V HN 0.001 nan 8.190 nan 0.000 0.442 220 S N 1.126 116.864 115.700 0.063 0.000 2.599 220 S HA -0.026 4.444 4.470 -0.000 0.000 0.303 220 S C 1.507 176.158 174.600 0.085 0.000 1.267 220 S CA 0.703 58.939 58.200 0.061 0.000 1.055 220 S CB 0.174 63.411 63.200 0.061 0.000 0.790 220 S HN 1.098 nan 8.310 nan 0.000 0.500 221 R N 3.849 124.398 120.500 0.082 0.000 2.193 221 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 221 R C 0.976 177.385 176.300 0.181 0.000 1.110 221 R CA 1.383 57.549 56.100 0.110 0.000 0.988 221 R CB -0.591 29.748 30.300 0.065 0.000 0.871 221 R HN 0.557 nan 8.270 nan 0.000 0.458 222 N N 1.007 119.792 118.700 0.142 0.000 2.457 222 N HA 0.006 4.746 4.740 -0.000 0.000 0.180 222 N C 1.083 176.663 175.510 0.117 0.000 1.050 222 N CA 0.743 53.883 53.050 0.150 0.000 0.906 222 N CB 0.184 38.725 38.487 0.091 0.000 0.968 222 N HN 0.311 nan 8.380 nan 0.000 0.445 223 L N 1.289 122.570 121.223 0.097 0.000 2.791 223 L HA 0.132 4.472 4.340 -0.000 0.000 0.239 223 L C 1.234 178.111 176.870 0.011 0.000 1.203 223 L CA -0.293 54.559 54.840 0.021 0.000 1.002 223 L CB -0.421 41.660 42.059 0.037 0.000 1.295 223 L HN 0.142 nan 8.230 nan 0.000 0.504 224 Y N -0.879 119.447 120.300 0.043 0.000 2.384 224 Y HA -0.241 4.309 4.550 -0.000 0.000 0.289 224 Y C 2.413 178.343 175.900 0.050 0.000 1.152 224 Y CA 1.328 59.457 58.100 0.048 0.000 1.258 224 Y CB -1.297 37.190 38.460 0.046 0.000 0.979 224 Y HN 0.272 nan 8.280 nan 0.000 0.549 225 T N -2.251 111.952 114.554 -0.584 0.000 3.035 225 T HA 0.121 4.471 4.350 -0.000 0.000 0.268 225 T C 1.773 176.394 174.700 -0.132 0.000 1.109 225 T CA 0.673 62.531 62.100 -0.404 0.000 1.119 225 T CB -0.503 68.089 68.868 -0.461 0.000 0.900 225 T HN 0.496 nan 8.240 nan 0.000 0.503 226 A N 0.570 123.343 122.820 -0.078 0.000 2.251 226 A HA 0.475 4.795 4.320 -0.000 0.000 0.209 226 A C 2.155 179.757 177.584 0.030 0.000 1.187 226 A CA -0.078 51.951 52.037 -0.013 0.000 0.823 226 A CB -0.669 18.332 19.000 0.001 0.000 0.846 226 A HN 0.517 nan 8.150 nan 0.000 0.486 227 L N -0.222 121.035 121.223 0.056 0.000 2.017 227 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 227 L C -0.497 176.417 176.870 0.072 0.000 1.073 227 L CA 1.531 56.424 54.840 0.089 0.000 0.745 227 L CB -1.312 40.828 42.059 0.135 0.000 0.894 227 L HN 0.220 nan 8.230 nan 0.000 0.432 228 P HA -0.222 nan 4.420 nan 0.000 0.215 228 P C 1.417 178.740 177.300 0.039 0.000 1.153 228 P CA 1.394 64.525 63.100 0.053 0.000 0.853 228 P CB -0.019 31.709 31.700 0.047 0.000 0.788 229 K N -0.130 120.288 120.400 0.031 0.000 2.063 229 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 229 K C 1.971 178.588 176.600 0.029 0.000 1.048 229 K CA 1.437 57.738 56.287 0.024 0.000 0.928 229 K CB -0.543 31.967 32.500 0.017 0.000 0.713 229 K HN 0.082 nan 8.250 nan 0.000 0.442 230 I N 0.321 120.916 120.570 0.041 0.000 2.353 230 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 230 I C 2.699 178.844 176.117 0.047 0.000 1.119 230 I CA 0.785 62.113 61.300 0.048 0.000 1.417 230 I CB -0.261 37.782 38.000 0.072 0.000 1.078 230 I HN 0.218 nan 8.210 nan 0.000 0.421 231 R N 1.071 121.601 120.500 0.050 0.000 2.105 231 R HA -0.217 4.123 4.340 -0.000 0.000 0.239 231 R C 2.138 178.458 176.300 0.034 0.000 1.135 231 R CA 1.698 57.825 56.100 0.046 0.000 0.967 231 R CB -0.059 30.268 30.300 0.046 0.000 0.861 231 R HN 0.449 nan 8.270 nan 0.000 0.442 232 Q N -1.119 118.698 119.800 0.028 0.000 2.331 232 Q HA 0.053 4.393 4.340 -0.000 0.000 0.203 232 Q C 1.632 177.642 176.000 0.016 0.000 0.944 232 Q CA 1.005 56.820 55.803 0.021 0.000 0.892 232 Q CB 0.398 29.147 28.738 0.018 0.000 0.983 232 Q HN 0.373 nan 8.270 nan 0.000 0.482 233 A N -0.605 122.225 122.820 0.016 0.000 2.238 233 A HA 0.097 4.417 4.320 -0.000 0.000 0.210 233 A C 0.459 178.048 177.584 0.008 0.000 1.179 233 A CA 0.014 52.056 52.037 0.009 0.000 0.827 233 A CB 0.325 19.328 19.000 0.005 0.000 0.856 233 A HN 0.305 nan 8.150 nan 0.000 0.488 234 C N -1.481 117.829 119.300 0.017 0.000 2.498 234 C HA 0.592 5.052 4.460 -0.000 0.000 0.316 234 C C 1.468 176.472 174.990 0.024 0.000 1.209 234 C CA -0.723 58.307 59.018 0.019 0.000 1.518 234 C CB 1.573 29.331 27.740 0.030 0.000 2.147 234 C HN 0.631 nan 8.230 nan 0.000 0.483 235 R N 1.388 121.901 120.500 0.021 0.000 2.075 235 R HA 0.239 4.579 4.340 -0.000 0.000 0.226 235 R C 0.517 176.836 176.300 0.032 0.000 1.114 235 R CA 0.864 56.977 56.100 0.022 0.000 0.972 235 R CB -0.297 30.011 30.300 0.014 0.000 0.869 235 R HN 0.776 nan 8.270 nan 0.000 0.437 236 I N 3.263 123.857 120.570 0.041 0.000 2.741 236 I HA -0.009 4.161 4.170 -0.000 0.000 0.288 236 I C -1.904 174.253 176.117 0.065 0.000 1.192 236 I CA -1.449 59.884 61.300 0.055 0.000 1.426 236 I CB 0.432 38.474 38.000 0.070 0.000 1.367 236 I HN 0.078 nan 8.210 nan 0.000 0.563 237 P HA 0.213 nan 4.420 nan 0.000 0.275 237 P C -0.696 176.653 177.300 0.082 0.000 1.228 237 P CA -0.228 62.915 63.100 0.071 0.000 0.786 237 P CB 0.555 32.302 31.700 0.079 0.000 0.927 238 I N -0.642 119.962 120.570 0.057 0.000 2.441 238 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 238 I C -0.489 175.632 176.117 0.007 0.000 0.994 238 I CA -1.231 60.102 61.300 0.055 0.000 1.144 238 I CB 1.900 39.948 38.000 0.080 0.000 1.314 238 I HN 0.214 nan 8.210 nan 0.000 0.445 239 M N 5.839 125.423 119.600 -0.027 0.000 2.181 239 M HA 0.681 5.161 4.480 -0.000 0.000 0.323 239 M C -0.615 175.691 176.300 0.010 0.000 1.004 239 M CA -0.482 54.775 55.300 -0.071 0.000 0.941 239 M CB 1.543 33.976 32.600 -0.278 0.000 1.579 239 M HN 0.912 nan 8.290 nan 0.000 0.427 240 A N 3.846 126.729 122.820 0.105 0.000 2.409 240 A HA 0.250 4.570 4.320 -0.000 0.000 0.267 240 A C -0.163 177.446 177.584 0.042 0.000 1.127 240 A CA -0.239 51.861 52.037 0.106 0.000 0.795 240 A CB 0.206 19.317 19.000 0.184 0.000 1.061 240 A HN 0.976 nan 8.150 nan 0.000 0.502 241 D N 1.335 121.729 120.400 -0.010 0.000 2.949 241 D HA 0.017 4.657 4.640 -0.000 0.000 0.247 241 D C 1.395 177.664 176.300 -0.051 0.000 1.552 241 D CA 0.510 54.482 54.000 -0.047 0.000 1.231 241 D CB -0.098 40.659 40.800 -0.072 0.000 0.990 241 D HN 0.506 nan 8.370 nan 0.000 0.270 242 E N 0.290 120.468 120.200 -0.037 0.000 2.171 242 E HA -0.090 4.259 4.350 -0.000 0.000 0.197 242 E C 2.038 178.618 176.600 -0.034 0.000 0.997 242 E CA 1.198 57.584 56.400 -0.024 0.000 0.810 242 E CB -0.162 29.535 29.700 -0.006 0.000 0.738 242 E HN 0.049 nan 8.360 nan 0.000 0.467 243 S N -0.759 114.925 115.700 -0.027 0.000 2.474 243 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 243 S C 0.692 175.216 174.600 -0.128 0.000 0.997 243 S CA 0.437 58.608 58.200 -0.048 0.000 0.949 243 S CB -0.065 63.147 63.200 0.019 0.000 0.766 243 S HN 0.362 nan 8.310 nan 0.000 0.517 244 C N 0.926 120.139 119.300 -0.144 0.000 2.409 244 C HA 0.563 5.023 4.460 -0.000 0.000 0.297 244 C C 1.264 176.134 174.990 -0.201 0.000 1.083 244 C CA -0.974 57.887 59.018 -0.262 0.000 1.515 244 C CB -1.450 26.005 27.740 -0.475 0.000 1.869 244 C HN 0.583 nan 8.230 nan 0.000 0.413 245 C N 3.315 122.527 119.300 -0.146 0.000 2.426 245 C HA 0.269 4.729 4.460 -0.000 0.000 0.318 245 C C 1.159 176.105 174.990 -0.073 0.000 1.451 245 C CA 0.372 59.343 59.018 -0.078 0.000 2.090 245 C CB -0.956 26.762 27.740 -0.037 0.000 2.151 245 C HN 0.959 nan 8.230 nan 0.000 0.608 246 N N 0.526 119.190 118.700 -0.060 0.000 2.741 246 N HA 0.261 5.000 4.740 -0.000 0.000 0.310 246 N C 0.665 176.116 175.510 -0.098 0.000 1.295 246 N CA 0.275 53.303 53.050 -0.038 0.000 0.893 246 N CB 0.130 38.653 38.487 0.061 0.000 1.247 246 N HN 0.186 nan 8.380 nan 0.000 0.596 247 S N -1.096 114.521 115.700 -0.138 0.000 2.383 247 S HA -0.101 4.368 4.470 -0.000 0.000 0.227 247 S C 1.455 175.911 174.600 -0.240 0.000 1.026 247 S CA 0.593 58.653 58.200 -0.233 0.000 0.981 247 S CB -0.955 62.056 63.200 -0.316 0.000 0.818 247 S HN 0.454 nan 8.310 nan 0.000 0.472 248 F N 2.895 122.815 119.950 -0.050 0.000 2.095 248 F HA -0.045 4.481 4.527 -0.000 0.000 0.298 248 F C 2.480 178.233 175.800 -0.078 0.000 1.104 248 F CA 1.384 59.359 58.000 -0.042 0.000 1.232 248 F CB -0.836 38.149 39.000 -0.025 0.000 0.987 248 F HN 0.151 nan 8.300 nan 0.000 0.475 249 D N 0.333 120.770 120.400 0.060 0.000 2.133 249 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 249 D C 2.351 178.567 176.300 -0.140 0.000 0.997 249 D CA 1.587 55.530 54.000 -0.096 0.000 0.840 249 D CB -0.733 39.975 40.800 -0.153 0.000 0.947 249 D HN 0.267 nan 8.370 nan 0.000 0.452 250 A N 0.984 123.689 122.820 -0.191 0.000 1.845 250 A HA -0.245 4.075 4.320 -0.000 0.000 0.215 250 A C 2.165 179.777 177.584 0.046 0.000 1.195 250 A CA 2.024 53.929 52.037 -0.219 0.000 0.616 250 A CB -0.801 18.042 19.000 -0.262 0.000 0.832 250 A HN 0.292 nan 8.150 nan 0.000 0.443 251 E N -0.596 119.618 120.200 0.024 0.000 2.070 251 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 251 E C 2.300 178.954 176.600 0.090 0.000 1.004 251 E CA 1.540 57.978 56.400 0.062 0.000 0.805 251 E CB -0.141 29.579 29.700 0.034 0.000 0.744 251 E HN 0.562 nan 8.360 nan 0.000 0.451 252 R N -0.034 120.512 120.500 0.077 0.000 2.081 252 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 252 R C 2.563 178.936 176.300 0.123 0.000 1.131 252 R CA 1.253 57.409 56.100 0.093 0.000 0.960 252 R CB -0.171 30.159 30.300 0.051 0.000 0.856 252 R HN 0.253 nan 8.270 nan 0.000 0.436 253 L N 0.251 121.540 121.223 0.109 0.000 2.046 253 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 253 L C 2.349 179.334 176.870 0.192 0.000 1.077 253 L CA 1.250 56.198 54.840 0.180 0.000 0.747 253 L CB -0.339 41.851 42.059 0.219 0.000 0.896 253 L HN 0.263 nan 8.230 nan 0.000 0.432 254 I N -0.568 120.120 120.570 0.198 0.000 2.179 254 I HA -0.347 3.822 4.170 -0.000 0.000 0.242 254 I C 2.665 178.842 176.117 0.101 0.000 1.088 254 I CA 1.318 62.700 61.300 0.136 0.000 1.357 254 I CB -0.257 37.822 38.000 0.132 0.000 1.051 254 I HN 0.324 nan 8.210 nan 0.000 0.409 255 Q N 1.024 120.886 119.800 0.104 0.000 2.197 255 Q HA -0.204 4.136 4.340 -0.000 0.000 0.207 255 Q C 1.803 177.855 176.000 0.087 0.000 0.984 255 Q CA 1.745 57.601 55.803 0.089 0.000 0.869 255 Q CB -0.096 28.698 28.738 0.093 0.000 0.906 255 Q HN 0.776 nan 8.270 nan 0.000 0.426 256 I N -3.314 117.320 120.570 0.106 0.000 3.914 256 I HA 0.223 4.392 4.170 -0.000 0.000 0.333 256 I C -0.661 175.507 176.117 0.086 0.000 1.449 256 I CA -0.384 60.974 61.300 0.095 0.000 1.135 256 I CB 0.115 38.184 38.000 0.115 0.000 1.073 256 I HN 0.046 nan 8.210 nan 0.000 0.401 257 Q N 1.309 121.158 119.800 0.082 0.000 2.443 257 Q HA -0.242 4.098 4.340 -0.000 0.000 0.337 257 Q C 1.235 177.280 176.000 0.075 0.000 1.401 257 Q CA 0.430 56.272 55.803 0.065 0.000 0.943 257 Q CB -0.896 27.870 28.738 0.046 0.000 1.177 257 Q HN 0.822 nan 8.270 nan 0.000 0.394 258 A N -0.758 122.127 122.820 0.108 0.000 2.021 258 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 258 A C 0.906 178.552 177.584 0.104 0.000 1.163 258 A CA 1.243 53.355 52.037 0.125 0.000 0.676 258 A CB 0.306 19.420 19.000 0.191 0.000 0.818 258 A HN 0.951 nan 8.150 nan 0.000 0.453 259 C N -3.759 115.590 119.300 0.082 0.000 3.288 259 C HA 0.638 5.098 4.460 -0.000 0.000 0.318 259 C C 0.224 175.201 174.990 -0.022 0.000 1.356 259 C CA -0.519 58.530 59.018 0.051 0.000 1.359 259 C CB 0.891 28.690 27.740 0.098 0.000 1.688 259 C HN 0.343 nan 8.230 nan 0.000 0.467 260 D N 0.905 121.285 120.400 -0.033 0.000 2.240 260 D HA 0.096 4.736 4.640 -0.000 0.000 0.206 260 D C 0.804 177.021 176.300 -0.138 0.000 0.963 260 D CA 1.494 55.458 54.000 -0.060 0.000 0.863 260 D CB 0.451 41.244 40.800 -0.012 0.000 0.973 260 D HN 0.872 nan 8.370 nan 0.000 0.501 261 S N -0.574 115.028 115.700 -0.163 0.000 2.596 261 S HA 0.562 5.032 4.470 -0.000 0.000 0.270 261 S C -1.028 173.496 174.600 -0.128 0.000 1.155 261 S CA -0.954 57.111 58.200 -0.224 0.000 0.827 261 S CB 1.636 64.760 63.200 -0.126 0.000 1.130 261 S HN -0.158 nan 8.310 nan 0.000 0.467 262 F N 1.679 121.593 119.950 -0.060 0.000 2.458 262 F HA 0.585 5.112 4.527 -0.000 0.000 0.330 262 F C 0.563 176.311 175.800 -0.087 0.000 1.082 262 F CA -1.596 56.365 58.000 -0.065 0.000 0.995 262 F CB 1.239 40.214 39.000 -0.042 0.000 1.170 262 F HN 0.669 nan 8.300 nan 0.000 0.478 263 N N 2.830 121.603 118.700 0.121 0.000 2.501 263 N HA 0.234 4.974 4.740 -0.000 0.000 0.245 263 N C -1.527 173.989 175.510 0.010 0.000 0.974 263 N CA -0.406 52.657 53.050 0.021 0.000 0.941 263 N CB 0.787 39.246 38.487 -0.046 0.000 1.122 263 N HN 0.563 nan 8.380 nan 0.000 0.507 264 L N 3.773 125.019 121.223 0.037 0.000 2.265 264 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 264 L C -0.542 176.347 176.870 0.032 0.000 1.058 264 L CA 0.077 54.932 54.840 0.025 0.000 0.809 264 L CB 0.299 42.391 42.059 0.054 0.000 1.179 264 L HN 0.359 nan 8.230 nan 0.000 0.429 265 K N 5.618 126.030 120.400 0.020 0.000 2.397 265 K HA 0.334 4.654 4.320 -0.000 0.000 0.253 265 K C 0.600 177.243 176.600 0.072 0.000 0.932 265 K CA -0.728 55.584 56.287 0.041 0.000 0.795 265 K CB 2.169 34.688 32.500 0.031 0.000 1.159 265 K HN 0.598 nan 8.250 nan 0.000 0.424 266 L N 0.882 122.137 121.223 0.052 0.000 2.079 266 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 266 L C 2.171 179.095 176.870 0.091 0.000 1.081 266 L CA 1.677 56.546 54.840 0.049 0.000 0.752 266 L CB -0.582 41.484 42.059 0.011 0.000 0.896 266 L HN 0.724 nan 8.230 nan 0.000 0.433 267 S N -0.442 115.354 115.700 0.161 0.000 2.402 267 S HA -0.153 4.316 4.470 -0.000 0.000 0.229 267 S C 1.858 176.588 174.600 0.217 0.000 1.021 267 S CA 0.739 59.052 58.200 0.188 0.000 0.974 267 S CB -0.212 63.157 63.200 0.282 0.000 0.800 267 S HN 0.422 nan 8.310 nan 0.000 0.484 268 K N 1.742 122.281 120.400 0.232 0.000 2.103 268 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 268 K C 2.113 178.755 176.600 0.071 0.000 1.052 268 K CA 1.360 57.736 56.287 0.148 0.000 0.945 268 K CB -0.228 32.335 32.500 0.105 0.000 0.722 268 K HN 0.584 nan 8.250 nan 0.000 0.443 269 S N 0.019 115.753 115.700 0.056 0.000 2.631 269 S HA 0.313 4.782 4.470 -0.000 0.000 0.217 269 S C 0.872 175.497 174.600 0.041 0.000 0.958 269 S CA 0.198 58.415 58.200 0.028 0.000 0.920 269 S CB 0.363 63.568 63.200 0.008 0.000 0.776 269 S HN 0.286 nan 8.310 nan 0.000 0.517 270 A N -0.481 122.371 122.820 0.054 0.000 2.860 270 A HA 0.248 4.568 4.320 -0.000 0.000 0.267 270 A C 1.199 178.829 177.584 0.077 0.000 1.421 270 A CA 0.713 52.783 52.037 0.055 0.000 0.831 270 A CB -1.878 17.143 19.000 0.036 0.000 1.041 270 A HN 2.304 nan 8.150 nan 0.000 0.623 271 G N -2.583 106.263 108.800 0.076 0.000 2.316 271 G HA2 0.257 4.217 3.960 -0.000 0.000 0.349 271 G HA3 0.257 4.217 3.960 -0.000 0.000 0.349 271 G C 0.370 175.304 174.900 0.057 0.000 1.274 271 G CA -0.195 44.961 45.100 0.093 0.000 1.018 271 G HN 0.832 nan 8.290 nan 0.000 0.486 272 I N 0.698 121.290 120.570 0.036 0.000 2.277 272 I HA -0.059 4.111 4.170 -0.000 0.000 0.243 272 I C 3.082 179.183 176.117 -0.028 0.000 1.094 272 I CA 1.948 63.180 61.300 -0.112 0.000 1.393 272 I CB -0.603 37.079 38.000 -0.529 0.000 1.078 272 I HN 0.692 nan 8.210 nan 0.000 0.417 273 T N 0.683 115.333 114.554 0.161 0.000 2.594 273 T HA -0.323 4.026 4.350 -0.000 0.000 0.266 273 T C 1.668 176.412 174.700 0.073 0.000 1.070 273 T CA 2.466 64.681 62.100 0.191 0.000 1.166 273 T CB -0.586 68.412 68.868 0.218 0.000 0.862 273 T HN 0.290 nan 8.240 nan 0.000 0.436 274 N N 0.648 119.379 118.700 0.050 0.000 2.416 274 N HA 0.160 4.900 4.740 -0.000 0.000 0.177 274 N C 1.848 177.350 175.510 -0.014 0.000 1.036 274 N CA 0.827 53.880 53.050 0.006 0.000 0.901 274 N CB -0.334 38.157 38.487 0.006 0.000 0.976 274 N HN 0.394 nan 8.380 nan 0.000 0.444 275 A N 0.565 123.383 122.820 -0.005 0.000 1.933 275 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 275 A C 2.106 179.683 177.584 -0.012 0.000 1.175 275 A CA 0.936 52.966 52.037 -0.011 0.000 0.628 275 A CB -0.743 18.253 19.000 -0.007 0.000 0.814 275 A HN 0.340 nan 8.150 nan 0.000 0.444 276 L N -0.341 120.873 121.223 -0.015 0.000 2.012 276 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 276 L C 2.426 179.288 176.870 -0.013 0.000 1.073 276 L CA 1.463 56.296 54.840 -0.011 0.000 0.748 276 L CB -0.820 41.234 42.059 -0.008 0.000 0.891 276 L HN 0.383 nan 8.230 nan 0.000 0.431 277 N N 0.494 119.178 118.700 -0.026 0.000 2.069 277 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 277 N C 1.889 177.374 175.510 -0.041 0.000 1.031 277 N CA 1.511 54.533 53.050 -0.047 0.000 0.852 277 N CB -0.302 38.134 38.487 -0.086 0.000 1.018 277 N HN 0.330 nan 8.380 nan 0.000 0.423 278 I N 0.891 121.436 120.570 -0.041 0.000 2.163 278 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 278 I C 2.060 178.211 176.117 0.057 0.000 1.085 278 I CA 0.933 62.222 61.300 -0.017 0.000 1.347 278 I CB -0.294 37.670 38.000 -0.059 0.000 1.044 278 I HN 0.058 nan 8.210 nan 0.000 0.408 279 I N 0.580 121.173 120.570 0.039 0.000 2.163 279 I HA -0.339 3.830 4.170 -0.000 0.000 0.243 279 I C 2.796 178.926 176.117 0.023 0.000 1.085 279 I CA 1.517 62.844 61.300 0.044 0.000 1.347 279 I CB -0.380 37.636 38.000 0.027 0.000 1.044 279 I HN 0.188 nan 8.210 nan 0.000 0.408 280 R N 1.406 121.907 120.500 0.003 0.000 2.103 280 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 280 R C 2.146 178.436 176.300 -0.017 0.000 1.142 280 R CA 1.753 57.844 56.100 -0.015 0.000 0.960 280 R CB -0.579 29.708 30.300 -0.021 0.000 0.858 280 R HN 0.307 nan 8.270 nan 0.000 0.439 281 L N -0.114 121.114 121.223 0.008 0.000 2.046 281 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 281 L C 2.664 179.550 176.870 0.027 0.000 1.077 281 L CA 1.317 56.172 54.840 0.026 0.000 0.747 281 L CB -0.716 41.382 42.059 0.064 0.000 0.896 281 L HN 0.405 nan 8.230 nan 0.000 0.432 282 A N -0.127 122.734 122.820 0.069 0.000 1.933 282 A HA -0.232 4.087 4.320 -0.000 0.000 0.218 282 A C 2.143 179.672 177.584 -0.093 0.000 1.175 282 A CA 1.708 53.738 52.037 -0.012 0.000 0.628 282 A CB -0.428 18.599 19.000 0.044 0.000 0.814 282 A HN 0.450 nan 8.150 nan 0.000 0.444 283 E N -0.421 119.730 120.200 -0.083 0.000 2.023 283 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 283 E C 2.218 178.651 176.600 -0.279 0.000 1.003 283 E CA 1.563 57.878 56.400 -0.143 0.000 0.809 283 E CB -0.241 29.404 29.700 -0.092 0.000 0.755 283 E HN 0.726 nan 8.360 nan 0.000 0.449 284 Q N -0.591 119.087 119.800 -0.203 0.000 2.368 284 Q HA -0.093 4.246 4.340 -0.000 0.000 0.210 284 Q C 1.182 177.018 176.000 -0.273 0.000 0.982 284 Q CA 1.043 56.711 55.803 -0.225 0.000 0.884 284 Q CB 0.136 28.814 28.738 -0.100 0.000 0.933 284 Q HN 0.169 nan 8.270 nan 0.000 0.460 285 A N -0.564 122.120 122.820 -0.227 0.000 2.535 285 A HA 0.090 4.409 4.320 -0.000 0.000 0.273 285 A C -0.644 176.909 177.584 -0.051 0.000 1.267 285 A CA -0.459 51.514 52.037 -0.106 0.000 0.940 285 A CB 0.001 18.968 19.000 -0.055 0.000 1.101 285 A HN 0.387 nan 8.150 nan 0.000 0.521 286 H N -1.035 118.005 119.070 -0.049 0.000 2.527 286 H HA -0.166 4.390 4.556 -0.000 0.000 0.321 286 H C -0.196 175.083 175.328 -0.081 0.000 1.092 286 H CA 1.292 57.307 56.048 -0.054 0.000 1.118 286 H CB -1.359 28.381 29.762 -0.038 0.000 1.536 286 H HN 0.578 nan 8.280 nan 0.000 0.407 287 M N 2.158 121.715 119.600 -0.071 0.000 2.167 287 M HA 0.266 4.745 4.480 -0.000 0.000 0.333 287 M C -2.123 174.099 176.300 -0.131 0.000 1.030 287 M CA -1.569 53.642 55.300 -0.148 0.000 0.963 287 M CB 2.149 34.545 32.600 -0.341 0.000 1.589 287 M HN -0.109 nan 8.290 nan 0.000 0.431 288 P HA 0.111 nan 4.420 nan 0.000 0.268 288 P C -1.100 176.176 177.300 -0.040 0.000 1.205 288 P CA -0.198 62.870 63.100 -0.053 0.000 0.771 288 P CB 0.796 32.524 31.700 0.046 0.000 0.858 289 V N 3.603 123.491 119.914 -0.043 0.000 2.604 289 V HA 0.321 4.441 4.120 -0.000 0.000 0.305 289 V C 0.226 176.314 176.094 -0.009 0.000 1.043 289 V CA -0.550 61.756 62.300 0.010 0.000 0.888 289 V CB 1.690 33.530 31.823 0.029 0.000 0.995 289 V HN 0.553 nan 8.190 nan 0.000 0.429 290 Q N 3.166 122.988 119.800 0.036 0.000 2.307 290 Q HA 0.605 4.944 4.340 -0.000 0.000 0.262 290 Q C -1.473 174.517 176.000 -0.017 0.000 0.961 290 Q CA -0.460 55.336 55.803 -0.012 0.000 0.882 290 Q CB 1.982 30.730 28.738 0.016 0.000 1.264 290 Q HN 0.588 nan 8.270 nan 0.000 0.446 291 V N 3.907 123.798 119.914 -0.038 0.000 2.465 291 V HA 0.655 4.775 4.120 -0.000 0.000 0.279 291 V C 0.632 176.897 176.094 0.284 0.000 1.045 291 V CA 0.203 62.600 62.300 0.162 0.000 0.938 291 V CB 1.033 33.062 31.823 0.343 0.000 0.986 291 V HN 0.948 nan 8.190 nan 0.000 0.467 292 G N 2.415 111.383 108.800 0.280 0.000 3.183 292 G HA2 0.914 4.874 3.960 -0.000 0.000 0.247 292 G HA3 0.914 4.874 3.960 -0.000 0.000 0.247 292 G C -0.274 174.749 174.900 0.205 0.000 1.211 292 G CA -0.148 45.137 45.100 0.308 0.000 0.835 292 G HN 1.181 nan 8.290 nan 0.000 0.604 293 G N -2.263 106.539 108.800 0.003 0.000 2.348 293 G HA2 0.500 4.460 3.960 -0.000 0.000 0.296 293 G HA3 0.500 4.460 3.960 -0.000 0.000 0.296 293 G C -1.064 173.588 174.900 -0.412 0.000 1.258 293 G CA -0.406 44.555 45.100 -0.232 0.000 0.868 293 G HN 0.433 nan 8.290 nan 0.000 0.488 294 F N -1.498 118.468 119.950 0.027 0.000 2.186 294 F HA 0.596 5.123 4.527 -0.000 0.000 0.195 294 F C 1.265 177.196 175.800 0.218 0.000 1.284 294 F CA -0.353 57.682 58.000 0.058 0.000 1.259 294 F CB 0.010 39.063 39.000 0.088 0.000 1.795 294 F HN 0.188 nan 8.300 nan 0.000 0.270 295 L N 0.869 122.408 121.223 0.527 0.000 3.017 295 L HA 0.306 4.646 4.340 -0.000 0.000 0.255 295 L C -0.597 176.570 176.870 0.495 0.000 1.247 295 L CA -0.131 54.967 54.840 0.430 0.000 1.038 295 L CB -1.176 41.072 42.059 0.315 0.000 1.380 295 L HN 0.154 nan 8.230 nan 0.000 0.548 296 E N -0.274 120.170 120.200 0.407 0.000 2.437 296 E HA 0.127 4.477 4.350 -0.000 0.000 0.263 296 E C 0.944 177.803 176.600 0.433 0.000 1.030 296 E CA 0.285 56.866 56.400 0.302 0.000 0.934 296 E CB 0.450 30.120 29.700 -0.050 0.000 0.943 296 E HN 0.355 nan 8.360 nan 0.000 0.444 297 S N 2.478 118.378 115.700 0.334 0.000 2.625 297 S HA 0.112 4.582 4.470 -0.000 0.000 0.258 297 S C 1.043 175.673 174.600 0.050 0.000 1.256 297 S CA -0.379 57.847 58.200 0.045 0.000 0.983 297 S CB 0.677 63.986 63.200 0.182 0.000 1.032 297 S HN 0.554 nan 8.310 nan 0.000 0.572 298 R N -0.600 119.839 120.500 -0.103 0.000 2.193 298 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 298 R C 2.183 178.472 176.300 -0.018 0.000 1.110 298 R CA 1.143 57.236 56.100 -0.011 0.000 0.988 298 R CB -0.798 29.474 30.300 -0.047 0.000 0.871 298 R HN 0.685 nan 8.270 nan 0.000 0.458 299 L N -0.107 121.065 121.223 -0.085 0.000 1.994 299 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 299 L C 2.268 179.117 176.870 -0.035 0.000 1.071 299 L CA 1.944 56.705 54.840 -0.133 0.000 0.745 299 L CB -0.696 41.191 42.059 -0.286 0.000 0.892 299 L HN 0.193 nan 8.230 nan 0.000 0.431 300 G N -0.683 108.121 108.800 0.006 0.000 2.446 300 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 300 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 300 G C 1.316 176.100 174.900 -0.193 0.000 1.168 300 G CA 1.022 46.079 45.100 -0.072 0.000 0.771 300 G HN 0.401 nan 8.290 nan 0.000 0.551 301 F N 1.234 121.096 119.950 -0.146 0.000 2.407 301 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 301 F C 2.970 178.539 175.800 -0.384 0.000 1.097 301 F CA 1.316 59.108 58.000 -0.347 0.000 1.422 301 F CB -0.274 38.517 39.000 -0.349 0.000 1.067 301 F HN 0.034 nan 8.300 nan 0.000 0.539 302 T N -0.366 114.157 114.554 -0.052 0.000 2.788 302 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 302 T C 2.348 177.085 174.700 0.062 0.000 1.044 302 T CA 1.227 63.301 62.100 -0.044 0.000 1.139 302 T CB -0.487 68.379 68.868 -0.004 0.000 0.867 302 T HN 0.296 nan 8.240 nan 0.000 0.454 303 A N 1.539 124.384 122.820 0.041 0.000 1.883 303 A HA 0.088 4.408 4.320 -0.000 0.000 0.217 303 A C 2.653 180.252 177.584 0.025 0.000 1.186 303 A CA 1.948 54.025 52.037 0.065 0.000 0.624 303 A CB -1.179 17.822 19.000 0.001 0.000 0.822 303 A HN 0.506 nan 8.150 nan 0.000 0.444 304 A N -0.153 122.598 122.820 -0.114 0.000 1.883 304 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 304 A C 2.530 180.121 177.584 0.010 0.000 1.186 304 A CA 2.355 54.327 52.037 -0.108 0.000 0.624 304 A CB -1.093 17.706 19.000 -0.334 0.000 0.822 304 A HN 1.120 nan 8.150 nan 0.000 0.444 305 A N -1.256 121.483 122.820 -0.135 0.000 1.902 305 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 305 A C 2.057 179.664 177.584 0.038 0.000 1.181 305 A CA 1.595 53.652 52.037 0.033 0.000 0.623 305 A CB -0.983 17.950 19.000 -0.113 0.000 0.818 305 A HN 0.671 nan 8.150 nan 0.000 0.443 306 H N -0.603 118.499 119.070 0.054 0.000 2.289 306 H HA -0.127 4.429 4.556 -0.000 0.000 0.296 306 H C 2.312 177.715 175.328 0.124 0.000 1.091 306 H CA 1.985 58.105 56.048 0.119 0.000 1.274 306 H CB -0.516 29.322 29.762 0.125 0.000 1.364 306 H HN 0.287 nan 8.280 nan 0.000 0.490 307 V N 1.134 121.178 119.914 0.216 0.000 2.407 307 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 307 V C 2.776 178.967 176.094 0.161 0.000 1.055 307 V CA 1.320 63.704 62.300 0.141 0.000 1.049 307 V CB -0.971 30.898 31.823 0.078 0.000 0.662 307 V HN 0.468 nan 8.190 nan 0.000 0.455 308 A N -0.406 122.546 122.820 0.219 0.000 2.076 308 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 308 A C 2.020 179.725 177.584 0.201 0.000 1.160 308 A CA 1.448 53.653 52.037 0.279 0.000 0.653 308 A CB -0.476 18.815 19.000 0.485 0.000 0.801 308 A HN 0.553 nan 8.150 nan 0.000 0.455 309 L N -0.752 120.552 121.223 0.136 0.000 2.591 309 L HA 0.047 4.387 4.340 -0.000 0.000 0.228 309 L C 1.786 178.721 176.870 0.108 0.000 1.133 309 L CA -0.122 54.766 54.840 0.079 0.000 0.880 309 L CB 0.134 42.179 42.059 -0.024 0.000 1.033 309 L HN 0.209 nan 8.230 nan 0.000 0.450 310 V N -1.535 118.447 119.914 0.113 0.000 2.951 310 V HA 0.005 4.125 4.120 -0.000 0.000 0.255 310 V C 0.908 177.038 176.094 0.060 0.000 1.088 310 V CA 0.778 63.133 62.300 0.092 0.000 1.109 310 V CB 0.518 32.386 31.823 0.075 0.000 0.724 310 V HN 0.447 nan 8.190 nan 0.000 0.471 311 S N -1.571 114.162 115.700 0.054 0.000 2.537 311 S HA 0.379 4.849 4.470 -0.000 0.000 0.270 311 S C 0.040 174.653 174.600 0.022 0.000 1.142 311 S CA -0.680 57.538 58.200 0.030 0.000 0.870 311 S CB 1.898 65.108 63.200 0.017 0.000 1.112 311 S HN 0.079 nan 8.310 nan 0.000 0.466 312 K N 1.584 121.989 120.400 0.009 0.000 2.432 312 K HA 0.093 4.413 4.320 -0.000 0.000 0.196 312 K C 1.752 178.335 176.600 -0.027 0.000 1.038 312 K CA 1.224 57.510 56.287 -0.002 0.000 0.986 312 K CB -0.229 32.271 32.500 -0.000 0.000 0.782 312 K HN 0.629 nan 8.250 nan 0.000 0.485 313 T N -0.090 114.446 114.554 -0.030 0.000 3.023 313 T HA 0.110 4.460 4.350 -0.000 0.000 0.266 313 T C 0.437 175.084 174.700 -0.088 0.000 1.093 313 T CA 0.185 62.253 62.100 -0.053 0.000 1.129 313 T CB -0.046 68.796 68.868 -0.045 0.000 0.899 313 T HN 0.047 nan 8.240 nan 0.000 0.491 314 I N 1.872 122.399 120.570 -0.070 0.000 2.471 314 I HA 0.149 4.319 4.170 -0.000 0.000 0.286 314 I C 1.165 177.146 176.117 -0.227 0.000 1.079 314 I CA -0.403 60.821 61.300 -0.126 0.000 1.398 314 I CB 0.850 38.830 38.000 -0.032 0.000 1.403 314 I HN 0.415 nan 8.210 nan 0.000 0.530 315 C N 3.308 122.315 119.300 -0.489 0.000 4.150 315 C HA 0.342 4.802 4.460 -0.000 0.000 0.330 315 C C -0.303 174.143 174.990 -0.907 0.000 1.905 315 C CA -0.607 58.061 59.018 -0.582 0.000 1.724 315 C CB -1.216 26.203 27.740 -0.535 0.000 3.096 315 C HN 0.569 nan 8.230 nan 0.000 0.601 316 Y N 0.280 120.134 120.300 -0.743 0.000 2.524 316 Y HA 0.746 5.296 4.550 -0.000 0.000 0.344 316 Y C -0.554 174.705 175.900 -1.068 0.000 1.012 316 Y CA -1.135 56.598 58.100 -0.612 0.000 1.068 316 Y CB 1.031 39.384 38.460 -0.178 0.000 1.249 316 Y HN 0.200 nan 8.280 nan 0.000 0.468 317 Y N 0.073 120.344 120.300 -0.049 0.000 2.396 317 Y HA 0.363 4.913 4.550 -0.000 0.000 0.332 317 Y C -1.067 174.617 175.900 -0.360 0.000 1.034 317 Y CA -1.362 56.475 58.100 -0.438 0.000 1.057 317 Y CB 1.971 40.007 38.460 -0.708 0.000 1.220 317 Y HN 0.486 nan 8.280 nan 0.000 0.440 318 D N 2.723 122.991 120.400 -0.220 0.000 2.434 318 D HA 0.351 4.991 4.640 -0.000 0.000 0.275 318 D C -1.324 175.131 176.300 0.257 0.000 1.172 318 D CA -0.251 53.748 54.000 -0.002 0.000 0.916 318 D CB 0.100 40.931 40.800 0.053 0.000 1.041 318 D HN 0.293 nan 8.370 nan 0.000 0.501 319 F N 1.778 121.710 119.950 -0.029 0.000 2.831 319 F HA 0.205 4.731 4.527 -0.000 0.000 0.355 319 F C 1.143 176.637 175.800 -0.509 0.000 1.341 319 F CA -0.949 56.820 58.000 -0.384 0.000 1.201 319 F CB 0.309 39.223 39.000 -0.144 0.000 1.058 319 F HN 0.280 nan 8.300 nan 0.000 0.514 320 D N -1.736 118.485 120.400 -0.297 0.000 2.277 320 D HA -0.100 4.540 4.640 -0.000 0.000 0.209 320 D C 1.691 177.705 176.300 -0.477 0.000 0.970 320 D CA 1.142 54.928 54.000 -0.358 0.000 0.874 320 D CB -0.810 39.648 40.800 -0.570 0.000 0.982 320 D HN 0.265 nan 8.370 nan 0.000 0.504 321 T N -0.608 113.674 114.554 -0.454 0.000 2.778 321 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 321 T C -0.787 173.812 174.700 -0.168 0.000 1.050 321 T CA 1.015 62.948 62.100 -0.278 0.000 1.137 321 T CB -1.556 67.233 68.868 -0.131 0.000 0.860 321 T HN 0.105 nan 8.240 nan 0.000 0.468 322 P HA 0.054 nan 4.420 nan 0.000 0.219 322 P C 1.447 178.461 177.300 -0.476 0.000 1.146 322 P CA 0.736 63.440 63.100 -0.660 0.000 0.808 322 P CB -0.344 31.045 31.700 -0.517 0.000 0.779 323 L N -2.149 118.861 121.223 -0.355 0.000 2.456 323 L HA -0.037 4.303 4.340 -0.000 0.000 0.224 323 L C 2.003 178.892 176.870 0.032 0.000 1.148 323 L CA 1.031 55.759 54.840 -0.186 0.000 0.825 323 L CB -0.758 41.251 42.059 -0.083 0.000 0.937 323 L HN 0.056 nan 8.230 nan 0.000 0.450 324 M N -1.573 118.085 119.600 0.096 0.000 2.428 324 M HA 0.120 4.600 4.480 -0.000 0.000 0.239 324 M C -0.135 176.325 176.300 0.266 0.000 1.121 324 M CA -0.018 55.389 55.300 0.179 0.000 1.019 324 M CB 0.276 32.951 32.600 0.124 0.000 1.485 324 M HN -0.084 nan 8.290 nan 0.000 0.484 325 F N 1.486 121.416 119.950 -0.034 0.000 2.506 325 F HA 0.042 4.569 4.527 -0.000 0.000 0.351 325 F C 1.633 177.422 175.800 -0.018 0.000 1.136 325 F CA -0.171 57.816 58.000 -0.021 0.000 1.298 325 F CB 0.264 39.251 39.000 -0.021 0.000 1.145 325 F HN 0.074 nan 8.300 nan 0.000 0.593 326 E N 1.019 121.284 120.200 0.108 0.000 2.150 326 E HA 0.094 4.443 4.350 -0.000 0.000 0.193 326 E C -0.097 176.555 176.600 0.088 0.000 0.985 326 E CA 0.878 57.318 56.400 0.067 0.000 0.814 326 E CB 0.203 29.913 29.700 0.017 0.000 0.752 326 E HN 0.518 nan 8.360 nan 0.000 0.466 327 A N 1.111 124.011 122.820 0.133 0.000 2.437 327 A HA 0.229 4.549 4.320 -0.000 0.000 0.293 327 A C -1.621 176.040 177.584 0.129 0.000 1.038 327 A CA -0.778 51.319 52.037 0.100 0.000 0.708 327 A CB 1.468 20.512 19.000 0.072 0.000 1.251 327 A HN -0.046 nan 8.150 nan 0.000 0.409 328 D N 3.759 124.180 120.400 0.035 0.000 2.347 328 D HA 0.439 5.078 4.640 -0.000 0.000 0.235 328 D C -1.427 174.813 176.300 -0.100 0.000 1.149 328 D CA -1.511 52.468 54.000 -0.035 0.000 0.850 328 D CB 1.312 42.063 40.800 -0.083 0.000 1.061 328 D HN 0.261 nan 8.370 nan 0.000 0.487 329 P HA 0.090 nan 4.420 nan 0.000 0.261 329 P C -0.077 177.095 177.300 -0.213 0.000 1.268 329 P CA -0.173 62.683 63.100 -0.406 0.000 0.833 329 P CB 0.509 31.547 31.700 -1.103 0.000 1.231 330 V N 1.507 121.315 119.914 -0.176 0.000 2.546 330 V HA 0.263 4.383 4.120 -0.000 0.000 0.284 330 V C 0.743 176.707 176.094 -0.215 0.000 1.050 330 V CA -0.556 61.585 62.300 -0.266 0.000 0.981 330 V CB 1.363 33.019 31.823 -0.278 0.000 0.990 330 V HN 0.018 nan 8.190 nan 0.000 0.474 331 R N 2.920 123.263 120.500 -0.262 0.000 2.295 331 R HA 0.606 4.946 4.340 -0.000 0.000 0.324 331 R C 0.601 176.789 176.300 -0.187 0.000 0.968 331 R CA 0.779 56.770 56.100 -0.181 0.000 0.837 331 R CB 0.933 31.142 30.300 -0.152 0.000 1.133 331 R HN 1.081 nan 8.270 nan 0.000 0.450 332 G N 2.566 111.292 108.800 -0.124 0.000 2.512 332 G HA2 0.076 4.036 3.960 -0.000 0.000 0.254 332 G HA3 0.076 4.036 3.960 -0.000 0.000 0.254 332 G C 0.296 175.134 174.900 -0.103 0.000 1.199 332 G CA -0.391 44.648 45.100 -0.101 0.000 0.941 332 G HN 1.525 nan 8.290 nan 0.000 0.569 333 G N -1.230 107.516 108.800 -0.089 0.000 2.828 333 G HA2 0.288 4.248 3.960 -0.000 0.000 0.463 333 G HA3 0.288 4.248 3.960 -0.000 0.000 0.463 333 G C 0.497 175.352 174.900 -0.074 0.000 1.394 333 G CA 0.535 45.586 45.100 -0.081 0.000 0.862 333 G HN 2.437 nan 8.290 nan 0.000 0.540 334 I N -1.803 118.710 120.570 -0.096 0.000 2.872 334 I HA 0.504 4.674 4.170 -0.000 0.000 0.291 334 I C 0.933 176.985 176.117 -0.107 0.000 1.216 334 I CA -0.435 60.778 61.300 -0.145 0.000 1.424 334 I CB 0.826 38.694 38.000 -0.221 0.000 1.351 334 I HN 1.225 nan 8.210 nan 0.000 0.592 335 V N 6.293 126.130 119.914 -0.129 0.000 2.555 335 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 335 V C -0.994 175.041 176.094 -0.098 0.000 1.038 335 V CA -0.590 61.687 62.300 -0.038 0.000 0.887 335 V CB 1.452 33.264 31.823 -0.018 0.000 0.991 335 V HN 0.650 nan 8.190 nan 0.000 0.434 336 Y N 5.058 125.336 120.300 -0.036 0.000 2.365 336 Y HA 0.502 5.052 4.550 -0.000 0.000 0.340 336 Y C 0.875 176.748 175.900 -0.045 0.000 1.016 336 Y CA -0.025 58.064 58.100 -0.019 0.000 1.196 336 Y CB 1.119 39.591 38.460 0.020 0.000 1.167 336 Y HN 0.698 nan 8.280 nan 0.000 0.509 337 Q N 1.933 121.751 119.800 0.030 0.000 2.293 337 Q HA 0.321 4.661 4.340 -0.000 0.000 0.216 337 Q C -0.591 175.373 176.000 -0.060 0.000 1.003 337 Q CA -1.277 54.513 55.803 -0.021 0.000 0.995 337 Q CB 1.015 29.721 28.738 -0.053 0.000 1.172 337 Q HN 0.587 nan 8.270 nan 0.000 0.518 338 Q N 0.204 119.950 119.800 -0.090 0.000 2.417 338 Q HA 0.206 4.546 4.340 -0.000 0.000 0.241 338 Q C -0.503 175.401 176.000 -0.159 0.000 1.008 338 Q CA -0.149 55.567 55.803 -0.145 0.000 0.901 338 Q CB 0.599 29.268 28.738 -0.114 0.000 1.259 338 Q HN 0.560 nan 8.270 nan 0.000 0.489 339 R N -0.179 120.182 120.500 -0.231 0.000 3.954 339 R HA -0.212 4.128 4.340 -0.000 0.000 0.422 339 R C 0.749 176.964 176.300 -0.142 0.000 1.091 339 R CA 0.475 56.469 56.100 -0.177 0.000 1.168 339 R CB -2.365 27.882 30.300 -0.088 0.000 1.752 339 R HN 1.245 nan 8.270 nan 0.000 0.547 340 G N 0.449 109.121 108.800 -0.214 0.000 2.147 340 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 340 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 340 G C 0.232 175.168 174.900 0.059 0.000 1.005 340 G CA 0.374 45.508 45.100 0.057 0.000 0.713 340 G HN 0.389 nan 8.290 nan 0.000 0.515 341 I N 1.205 121.752 120.570 -0.038 0.000 2.529 341 I HA 0.301 4.471 4.170 -0.000 0.000 0.284 341 I C 0.714 176.748 176.117 -0.138 0.000 1.082 341 I CA -0.532 60.714 61.300 -0.091 0.000 1.406 341 I CB 0.750 38.694 38.000 -0.093 0.000 1.405 341 I HN -0.055 nan 8.210 nan 0.000 0.548 342 I N 5.763 126.210 120.570 -0.206 0.000 2.404 342 I HA 0.361 4.531 4.170 -0.000 0.000 0.293 342 I C 0.021 175.998 176.117 -0.232 0.000 0.992 342 I CA -0.451 60.685 61.300 -0.273 0.000 1.149 342 I CB 1.439 39.270 38.000 -0.282 0.000 1.315 342 I HN 0.602 nan 8.210 nan 0.000 0.446 343 E N 4.256 124.327 120.200 -0.215 0.000 2.166 343 E HA 0.477 4.827 4.350 -0.000 0.000 0.275 343 E C -1.157 175.324 176.600 -0.199 0.000 0.941 343 E CA -0.676 55.614 56.400 -0.184 0.000 0.784 343 E CB 2.820 32.441 29.700 -0.131 0.000 1.115 343 E HN 0.270 nan 8.360 nan 0.000 0.399 344 V N 5.131 124.909 119.914 -0.227 0.000 2.439 344 V HA 0.239 4.358 4.120 -0.000 0.000 0.282 344 V C -2.120 173.886 176.094 -0.147 0.000 1.039 344 V CA -1.939 60.198 62.300 -0.272 0.000 0.913 344 V CB 1.124 32.685 31.823 -0.437 0.000 0.983 344 V HN 0.623 nan 8.190 nan 0.000 0.460 345 P HA 0.071 nan 4.420 nan 0.000 0.267 345 P C 0.237 177.637 177.300 0.167 0.000 1.201 345 P CA 0.204 63.328 63.100 0.041 0.000 0.775 345 P CB 0.858 32.605 31.700 0.079 0.000 0.854 346 E N -0.356 119.929 120.200 0.142 0.000 2.539 346 E HA 0.027 4.377 4.350 -0.000 0.000 0.215 346 E C 0.240 176.911 176.600 0.118 0.000 0.965 346 E CA 0.003 56.516 56.400 0.187 0.000 1.019 346 E CB 0.133 29.914 29.700 0.135 0.000 1.059 346 E HN 0.576 nan 8.360 nan 0.000 0.496 347 T N -1.398 113.208 114.554 0.088 0.000 2.766 347 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 347 T C 0.664 175.386 174.700 0.037 0.000 1.024 347 T CA -0.387 61.742 62.100 0.048 0.000 1.018 347 T CB 1.303 70.188 68.868 0.029 0.000 1.002 347 T HN 0.104 nan 8.240 nan 0.000 0.532 348 A N 0.808 123.633 122.820 0.009 0.000 2.445 348 A HA 0.618 4.938 4.320 -0.000 0.000 0.242 348 A C 1.316 178.887 177.584 -0.022 0.000 1.075 348 A CA 0.298 52.327 52.037 -0.014 0.000 0.777 348 A CB -1.197 17.795 19.000 -0.013 0.000 1.013 348 A HN 2.339 nan 8.150 nan 0.000 0.493 349 G N -0.298 108.463 108.800 -0.065 0.000 2.584 349 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.229 349 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.229 349 G C 0.780 175.610 174.900 -0.115 0.000 1.320 349 G CA 0.030 45.079 45.100 -0.085 0.000 0.891 349 G HN 1.356 nan 8.290 nan 0.000 0.573 350 L N 1.181 122.356 121.223 -0.079 0.000 2.083 350 L HA 0.174 4.514 4.340 -0.000 0.000 0.209 350 L C 2.423 179.331 176.870 0.065 0.000 1.083 350 L CA 2.521 57.316 54.840 -0.075 0.000 0.752 350 L CB -0.849 41.210 42.059 0.000 0.000 0.899 350 L HN 2.495 nan 8.230 nan 0.000 0.433 351 G N -0.473 108.351 108.800 0.041 0.000 2.149 351 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.235 351 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.235 351 G C 0.037 174.931 174.900 -0.010 0.000 1.018 351 G CA 0.311 45.444 45.100 0.055 0.000 0.728 351 G HN 0.851 nan 8.290 nan 0.000 0.508 352 A N -1.687 121.087 122.820 -0.078 0.000 2.594 352 A HA 1.098 5.418 4.320 -0.000 0.000 0.295 352 A C 0.285 177.631 177.584 -0.397 0.000 1.071 352 A CA 0.204 52.117 52.037 -0.206 0.000 0.685 352 A CB 1.398 20.279 19.000 -0.199 0.000 1.285 352 A HN 2.012 nan 8.150 nan 0.000 0.405 353 G N -0.891 107.551 108.800 -0.597 0.000 2.706 353 G HA2 0.591 4.551 3.960 -0.000 0.000 0.307 353 G HA3 0.591 4.551 3.960 -0.000 0.000 0.307 353 G C -2.008 172.326 174.900 -0.943 0.000 1.307 353 G CA -0.456 44.020 45.100 -1.041 0.000 0.790 353 G HN 0.603 nan 8.290 nan 0.000 0.503 354 Y N 0.102 120.100 120.300 -0.504 0.000 2.409 354 Y HA 0.583 5.133 4.550 -0.000 0.000 0.339 354 Y C 0.751 176.596 175.900 -0.092 0.000 1.033 354 Y CA -0.596 57.383 58.100 -0.202 0.000 1.094 354 Y CB 2.006 40.440 38.460 -0.044 0.000 1.210 354 Y HN 0.505 nan 8.280 nan 0.000 0.456 355 Q N 2.644 122.489 119.800 0.074 0.000 2.379 355 Q HA -0.062 4.278 4.340 -0.000 0.000 0.320 355 Q C -0.428 175.651 176.000 0.132 0.000 1.153 355 Q CA 0.211 56.052 55.803 0.064 0.000 0.993 355 Q CB 0.390 29.150 28.738 0.037 0.000 1.265 355 Q HN 0.585 nan 8.270 nan 0.000 0.423 356 K N 1.700 122.153 120.400 0.090 0.000 2.451 356 K HA 0.040 4.360 4.320 -0.000 0.000 0.280 356 K C -0.222 176.446 176.600 0.114 0.000 1.020 356 K CA 0.418 56.762 56.287 0.094 0.000 1.008 356 K CB 0.268 32.807 32.500 0.064 0.000 0.917 356 K HN 0.767 nan 8.250 nan 0.000 0.478 357 D N 0.181 120.646 120.400 0.108 0.000 2.931 357 D HA -0.364 4.276 4.640 -0.000 0.000 0.228 357 D C 0.178 176.541 176.300 0.106 0.000 1.180 357 D CA 1.692 55.746 54.000 0.089 0.000 0.784 357 D CB -1.850 38.990 40.800 0.067 0.000 1.093 357 D HN 0.812 nan 8.370 nan 0.000 0.421 358 Y N 0.495 120.812 120.300 0.028 0.000 2.184 358 Y HA 0.091 4.640 4.550 -0.000 0.000 0.290 358 Y C 1.965 177.852 175.900 -0.022 0.000 1.129 358 Y CA 1.612 59.721 58.100 0.015 0.000 1.144 358 Y CB -0.336 38.144 38.460 0.034 0.000 0.995 358 Y HN 0.205 nan 8.280 nan 0.000 0.513 359 L N 0.215 121.333 121.223 -0.176 0.000 2.083 359 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 359 L C 2.624 179.438 176.870 -0.094 0.000 1.083 359 L CA 1.644 56.281 54.840 -0.339 0.000 0.752 359 L CB -0.905 40.936 42.059 -0.363 0.000 0.899 359 L HN 0.395 nan 8.230 nan 0.000 0.433 360 S N -0.516 115.177 115.700 -0.012 0.000 2.507 360 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 360 S C 1.835 176.431 174.600 -0.008 0.000 0.988 360 S CA 0.771 58.995 58.200 0.040 0.000 0.944 360 S CB -0.485 62.744 63.200 0.047 0.000 0.762 360 S HN 0.444 nan 8.310 nan 0.000 0.526 361 G N 0.490 109.240 108.800 -0.084 0.000 2.777 361 G HA2 0.336 4.295 3.960 -0.000 0.000 0.211 361 G HA3 0.336 4.295 3.960 -0.000 0.000 0.211 361 G C 0.240 175.069 174.900 -0.119 0.000 1.149 361 G CA -0.192 44.853 45.100 -0.092 0.000 0.785 361 G HN 0.355 nan 8.290 nan 0.000 0.536 362 L N 0.616 121.752 121.223 -0.145 0.000 2.418 362 L HA 0.315 4.655 4.340 -0.000 0.000 0.265 362 L C 0.555 177.406 176.870 -0.032 0.000 1.143 362 L CA -1.038 53.734 54.840 -0.113 0.000 0.809 362 L CB 1.388 43.377 42.059 -0.117 0.000 1.124 362 L HN 0.190 nan 8.230 nan 0.000 0.456 363 E N 3.639 123.791 120.200 -0.080 0.000 2.324 363 E HA 0.205 4.555 4.350 -0.000 0.000 0.271 363 E C -0.715 175.845 176.600 -0.067 0.000 1.028 363 E CA -0.224 56.112 56.400 -0.106 0.000 0.890 363 E CB 0.484 30.057 29.700 -0.212 0.000 1.004 363 E HN 0.559 nan 8.360 nan 0.000 0.431 364 K N 4.502 124.887 120.400 -0.026 0.000 2.482 364 K HA 0.550 4.870 4.320 -0.000 0.000 0.257 364 K C -1.409 175.213 176.600 0.038 0.000 0.969 364 K CA -0.915 55.337 56.287 -0.057 0.000 0.842 364 K CB 1.640 33.930 32.500 -0.350 0.000 1.359 364 K HN 0.558 nan 8.250 nan 0.000 0.441 365 I N 0.483 121.036 120.570 -0.030 0.000 2.934 365 I HA 0.477 4.647 4.170 -0.000 0.000 0.306 365 I C -1.674 174.333 176.117 -0.184 0.000 1.110 365 I CA -0.864 60.383 61.300 -0.088 0.000 1.019 365 I CB 2.261 40.183 38.000 -0.130 0.000 1.227 365 I HN 0.891 nan 8.210 nan 0.000 0.434 366 C N 7.721 126.942 119.300 -0.130 0.000 2.381 366 C HA 0.570 5.030 4.460 -0.000 0.000 0.328 366 C C -0.856 174.085 174.990 -0.083 0.000 1.190 366 C CA -0.656 58.295 59.018 -0.112 0.000 1.369 366 C CB 0.149 27.834 27.740 -0.092 0.000 2.029 366 C HN 0.476 nan 8.230 nan 0.000 0.448 367 I N 6.562 127.092 120.570 -0.066 0.000 2.297 367 I HA 0.390 4.560 4.170 -0.000 0.000 0.291 367 I C 0.475 176.577 176.117 -0.025 0.000 1.033 367 I CA 0.461 61.736 61.300 -0.042 0.000 1.253 367 I CB -0.403 37.582 38.000 -0.025 0.000 1.396 367 I HN 0.916 nan 8.210 nan 0.000 0.476 368 N N 0.000 118.682 118.700 -0.029 0.000 1.763 368 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 368 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 368 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667