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 3kf3_1_A DATA FIRST_RESID 27 DATA SEQUENCE LSVDTSEYNR PLIHFTPEKG WMNDPNGLFY DKTAKLWHLY FQYNPNATAW DATA SEQUENCE GQPLYWGHAT SNDLVHWDEH EIAIGPEHDN EGIFSGSIVV DHNNTSGFFN DATA SEQUENCE SSIDPNQRIV AIYTNNIPDN QTQDIAFSLD GGYTFTKYEN NPVIDVSSNQ DATA SEQUENCE FRDPKVFWHE DSNQWIMVVS KSQEYKIQIF GSANLKNWVL NSNFSSGYYG DATA SEQUENCE NQYECPGLIE VPIENSDKSK WVMFLAINPG SPLGGSINQY FVGDFDGFQF DATA SEQUENCE VPDDSQTRFV DIGKDFYAFQ TFSEVEHGVL GLAWASNWQY ADQVPTNPWR DATA SEQUENCE SSTSLARNYT LRYVHTNAET KQLTLIQNPV LPDSINVVDK LKKKNVKLTN DATA SEQUENCE KKPIKTNFKG STGLFDFNIT FKVLNLNVSP GKTHFDILIN SQELNSSVDS DATA SEQUENCE IKIGFDSSQS SFYIDRHIPN VEFPRKQFFT DKLAAYLEPL DYDQDLRVFS DATA SEQUENCE LYGIVDKNII ELYFNDGTVA MTNTFFMGEG KYPHDIQIVT DTEEPLFELE DATA SEQUENCE SVIIRELNK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.898 176.870 0.047 0.000 1.165 27 L CA 0.000 54.868 54.840 0.047 0.000 0.813 27 L CB 0.000 42.084 42.059 0.041 0.000 0.961 28 S N 1.109 116.834 115.700 0.042 0.000 2.446 28 S HA 0.219 4.454 4.470 -0.393 0.000 0.225 28 S C 0.939 175.570 174.600 0.051 0.000 1.016 28 S CA 0.565 58.790 58.200 0.043 0.000 0.943 28 S CB 0.384 63.606 63.200 0.037 0.000 0.786 28 S HN 0.251 nan 8.310 nan 0.000 0.508 29 V N 2.939 122.885 119.914 0.054 0.000 2.394 29 V HA 0.451 4.335 4.120 -0.393 0.000 0.282 29 V C -0.617 175.523 176.094 0.077 0.000 1.031 29 V CA -0.748 61.591 62.300 0.065 0.000 0.881 29 V CB 1.464 33.320 31.823 0.054 0.000 0.982 29 V HN 0.112 nan 8.190 nan 0.000 0.451 30 D N 3.080 123.537 120.400 0.096 0.000 2.505 30 D HA 0.257 4.661 4.640 -0.393 0.000 0.250 30 D C 0.906 177.278 176.300 0.120 0.000 1.164 30 D CA -0.200 53.866 54.000 0.111 0.000 0.870 30 D CB 2.288 43.145 40.800 0.094 0.000 1.160 30 D HN 0.663 nan 8.370 nan 0.000 0.549 31 T N -0.307 114.295 114.554 0.080 0.000 3.107 31 T HA 0.028 4.142 4.350 -0.393 0.000 0.249 31 T C 1.628 176.195 174.700 -0.222 0.000 1.096 31 T CA 0.182 62.193 62.100 -0.149 0.000 1.012 31 T CB 0.112 68.773 68.868 -0.344 0.000 0.977 31 T HN 0.121 nan 8.240 nan 0.000 0.527 32 S N 2.139 117.866 115.700 0.045 0.000 2.372 32 S HA -0.206 4.028 4.470 -0.393 0.000 0.227 32 S C 1.895 176.421 174.600 -0.124 0.000 1.044 32 S CA 1.881 60.048 58.200 -0.054 0.000 1.050 32 S CB -0.498 62.627 63.200 -0.125 0.000 0.901 32 S HN 0.729 nan 8.310 nan 0.000 0.447 33 E N 0.631 120.806 120.200 -0.042 0.000 2.171 33 E HA -0.199 3.916 4.350 -0.393 0.000 0.197 33 E C 1.605 178.166 176.600 -0.065 0.000 0.997 33 E CA 1.628 58.016 56.400 -0.020 0.000 0.810 33 E CB -0.183 29.585 29.700 0.114 0.000 0.738 33 E HN 0.913 nan 8.360 nan 0.000 0.467 34 Y N -3.582 116.704 120.300 -0.023 0.000 2.430 34 Y HA 0.503 4.818 4.550 -0.392 0.000 0.254 34 Y C 1.353 177.299 175.900 0.077 0.000 1.088 34 Y CA -0.239 57.886 58.100 0.041 0.000 1.267 34 Y CB 0.062 38.705 38.460 0.305 0.000 1.204 34 Y HN -0.124 nan 8.280 nan 0.000 0.515 35 N N 0.732 119.234 118.700 -0.330 0.000 2.257 35 N HA 0.098 4.603 4.740 -0.393 0.000 0.200 35 N C -0.191 175.365 175.510 0.077 0.000 1.163 35 N CA -0.012 52.940 53.050 -0.163 0.000 0.891 35 N CB 0.394 38.705 38.487 -0.294 0.000 1.067 35 N HN 0.296 nan 8.380 nan 0.000 0.497 36 R N 1.752 122.244 120.500 -0.013 0.000 2.202 36 R HA 0.364 4.468 4.340 -0.393 0.000 0.334 36 R C -2.635 173.528 176.300 -0.227 0.000 1.036 36 R CA -1.386 54.577 56.100 -0.230 0.000 0.878 36 R CB 0.741 30.651 30.300 -0.650 0.000 1.067 36 R HN -0.136 nan 8.270 nan 0.000 0.457 37 P HA -0.050 nan 4.420 nan 0.000 0.268 37 P C -0.066 177.151 177.300 -0.139 0.000 1.208 37 P CA 0.042 63.065 63.100 -0.127 0.000 0.777 37 P CB 0.625 32.271 31.700 -0.091 0.000 0.875 38 L N 2.237 123.419 121.223 -0.067 0.000 2.253 38 L HA 0.123 4.227 4.340 -0.393 0.000 0.205 38 L C 1.718 178.550 176.870 -0.064 0.000 1.078 38 L CA 1.120 55.907 54.840 -0.088 0.000 0.805 38 L CB -0.279 41.727 42.059 -0.089 0.000 0.963 38 L HN 0.413 nan 8.230 nan 0.000 0.459 39 I N -4.617 115.950 120.570 -0.005 0.000 4.147 39 I HA 0.250 4.184 4.170 -0.393 0.000 0.329 39 I C -0.215 175.885 176.117 -0.028 0.000 1.424 39 I CA -0.485 60.782 61.300 -0.054 0.000 1.127 39 I CB 0.100 38.007 38.000 -0.155 0.000 1.128 39 I HN -0.012 nan 8.210 nan 0.000 0.417 40 H N 1.232 120.302 119.070 0.000 0.000 2.467 40 H HA 0.394 4.723 4.556 -0.379 0.000 0.326 40 H C -0.827 174.440 175.328 -0.103 0.000 1.094 40 H CA -0.647 55.401 56.048 -0.000 0.000 1.253 40 H CB 1.203 30.945 29.762 -0.033 0.000 1.439 40 H HN 0.191 nan 8.280 nan 0.000 0.479 41 F N 2.470 122.263 119.950 -0.262 0.000 2.529 41 F HA 0.233 4.516 4.527 -0.408 0.000 0.365 41 F C -0.103 175.435 175.800 -0.436 0.000 1.102 41 F CA 0.508 58.186 58.000 -0.538 0.000 1.271 41 F CB 0.507 38.831 39.000 -1.126 0.000 1.120 41 F HN 0.389 nan 8.300 nan 0.000 0.579 42 T N 7.649 121.252 114.554 -1.585 0.000 2.952 42 T HA 0.330 4.444 4.350 -0.393 0.000 0.305 42 T C -2.763 170.877 174.700 -1.766 0.000 1.064 42 T CA -1.153 60.118 62.100 -1.382 0.000 1.008 42 T CB 1.963 70.204 68.868 -1.044 0.000 1.078 42 T HN 0.368 nan 8.240 nan 0.000 0.459 43 P HA 0.127 nan 4.420 nan 0.000 0.268 43 P C 0.742 177.813 177.300 -0.383 0.000 1.205 43 P CA -0.016 62.728 63.100 -0.594 0.000 0.771 43 P CB 1.062 32.639 31.700 -0.205 0.000 0.858 44 E N 2.764 122.822 120.200 -0.237 0.000 2.097 44 E HA -0.185 3.930 4.350 -0.393 0.000 0.196 44 E C 0.487 177.088 176.600 0.002 0.000 1.000 44 E CA 1.324 57.632 56.400 -0.154 0.000 0.804 44 E CB 0.156 29.815 29.700 -0.067 0.000 0.740 44 E HN 0.505 nan 8.360 nan 0.000 0.454 45 K N -1.638 118.842 120.400 0.134 0.000 2.508 45 K HA 0.559 4.643 4.320 -0.393 0.000 0.260 45 K C -0.023 176.788 176.600 0.352 0.000 0.949 45 K CA -0.437 55.988 56.287 0.230 0.000 0.834 45 K CB 2.311 34.917 32.500 0.177 0.000 1.365 45 K HN 0.131 nan 8.250 nan 0.000 0.437 46 G N 1.162 110.154 108.800 0.320 0.000 2.545 46 G HA2 -0.218 3.506 3.960 -0.393 0.000 0.216 46 G HA3 -0.218 3.506 3.960 -0.393 0.000 0.216 46 G C -1.631 173.523 174.900 0.424 0.000 1.314 46 G CA -0.261 45.039 45.100 0.334 0.000 0.906 46 G HN 0.848 nan 8.290 nan 0.000 0.563 47 W N 1.217 122.656 121.300 0.232 0.000 2.573 47 W HA 0.746 5.174 4.660 -0.386 0.000 0.326 47 W C -0.519 176.192 176.519 0.320 0.000 1.049 47 W CA -0.949 56.520 57.345 0.206 0.000 1.220 47 W CB 1.389 30.920 29.460 0.118 0.000 1.373 47 W HN 0.849 nan 8.180 nan 0.000 0.507 48 M N 7.822 126.993 119.600 -0.715 0.000 2.395 48 M HA 0.228 4.472 4.480 -0.393 0.000 0.307 48 M C -0.497 174.961 176.300 -1.403 0.000 1.091 48 M CA -0.327 54.589 55.300 -0.641 0.000 0.919 48 M CB 1.581 33.953 32.600 -0.380 0.000 1.662 48 M HN 0.644 nan 8.290 nan 0.000 0.440 49 N N 1.862 119.935 118.700 -1.045 0.000 2.297 49 N HA 0.271 4.776 4.740 -0.393 0.000 0.173 49 N C -1.122 173.800 175.510 -0.981 0.000 1.566 49 N CA -0.443 51.564 53.050 -1.738 0.000 1.092 49 N CB -0.421 37.088 38.487 -1.631 0.000 1.459 49 N HN 0.499 nan 8.380 nan 0.000 0.310 50 D N 3.167 123.242 120.400 -0.541 0.000 2.583 50 D HA 0.129 4.533 4.640 -0.393 0.000 0.232 50 D C -2.024 174.150 176.300 -0.210 0.000 1.128 50 D CA -0.176 53.690 54.000 -0.223 0.000 0.859 50 D CB -0.089 40.650 40.800 -0.102 0.000 1.169 50 D HN 0.298 nan 8.370 nan 0.000 0.481 51 P HA 0.148 nan 4.420 nan 0.000 0.275 51 P C -0.560 176.548 177.300 -0.321 0.000 1.227 51 P CA -0.412 62.551 63.100 -0.230 0.000 0.781 51 P CB 0.925 32.473 31.700 -0.253 0.000 0.906 52 N N 0.448 118.895 118.700 -0.421 0.000 2.321 52 N HA 0.399 4.904 4.740 -0.393 0.000 0.290 52 N C 0.571 175.770 175.510 -0.520 0.000 1.212 52 N CA -0.127 52.519 53.050 -0.674 0.000 0.767 52 N CB 1.448 39.030 38.487 -1.509 0.000 1.494 52 N HN 0.617 nan 8.380 nan 0.000 0.479 53 G N 0.382 108.921 108.800 -0.435 0.000 2.283 53 G HA2 -0.264 3.460 3.960 -0.393 0.000 0.280 53 G HA3 -0.264 3.460 3.960 -0.393 0.000 0.280 53 G C -0.161 174.904 174.900 0.274 0.000 1.029 53 G CA 0.146 45.187 45.100 -0.099 0.000 0.840 53 G HN 0.454 nan 8.290 nan 0.000 0.505 54 L N -0.271 120.991 121.223 0.064 0.000 2.534 54 L HA 0.515 4.619 4.340 -0.393 0.000 0.271 54 L C 0.708 177.854 176.870 0.461 0.000 1.178 54 L CA 0.135 54.977 54.840 0.003 0.000 0.907 54 L CB -0.077 41.506 42.059 -0.795 0.000 1.164 54 L HN 0.426 nan 8.230 nan 0.000 0.482 55 F N 3.072 123.364 119.950 0.571 0.000 2.693 55 F HA 0.443 4.739 4.527 -0.386 0.000 0.309 55 F C -1.565 174.633 175.800 0.663 0.000 1.129 55 F CA -1.345 57.004 58.000 0.582 0.000 0.948 55 F CB 1.209 40.401 39.000 0.321 0.000 1.315 55 F HN 0.180 nan 8.300 nan 0.000 0.447 56 Y N 2.603 122.991 120.300 0.147 0.000 2.330 56 Y HA 0.396 4.708 4.550 -0.396 0.000 0.336 56 Y C -0.561 175.257 175.900 -0.135 0.000 1.036 56 Y CA -0.766 57.115 58.100 -0.365 0.000 1.125 56 Y CB 0.941 38.938 38.460 -0.771 0.000 1.194 56 Y HN 0.743 nan 8.280 nan 0.000 0.469 57 D N 5.738 125.666 120.400 -0.786 0.000 2.380 57 D HA 0.125 4.529 4.640 -0.393 0.000 0.230 57 D C 0.363 176.153 176.300 -0.850 0.000 1.154 57 D CA 0.071 53.808 54.000 -0.437 0.000 0.859 57 D CB 1.027 41.742 40.800 -0.142 0.000 1.045 57 D HN 0.754 nan 8.370 nan 0.000 0.495 58 K N 1.223 121.357 120.400 -0.443 0.000 2.211 58 K HA -0.095 3.989 4.320 -0.393 0.000 0.203 58 K C 1.845 178.347 176.600 -0.163 0.000 1.050 58 K CA 1.435 57.573 56.287 -0.247 0.000 0.945 58 K CB 0.223 32.746 32.500 0.040 0.000 0.732 58 K HN 0.503 nan 8.250 nan 0.000 0.451 59 T N -1.310 113.167 114.554 -0.128 0.000 2.852 59 T HA 0.068 4.182 4.350 -0.393 0.000 0.256 59 T C 2.137 176.784 174.700 -0.088 0.000 1.038 59 T CA 0.689 62.746 62.100 -0.072 0.000 1.141 59 T CB -0.153 68.695 68.868 -0.033 0.000 0.869 59 T HN 0.105 nan 8.240 nan 0.000 0.439 60 A N 1.050 123.804 122.820 -0.110 0.000 2.167 60 A HA 0.297 4.381 4.320 -0.393 0.000 0.214 60 A C 1.012 178.505 177.584 -0.152 0.000 1.151 60 A CA 0.558 52.542 52.037 -0.088 0.000 0.735 60 A CB -0.610 18.383 19.000 -0.013 0.000 0.802 60 A HN 0.487 nan 8.150 nan 0.000 0.467 61 K N -2.284 117.940 120.400 -0.293 0.000 3.244 61 K HA -0.136 3.948 4.320 -0.393 0.000 0.270 61 K C -1.100 175.323 176.600 -0.295 0.000 1.016 61 K CA 0.551 56.663 56.287 -0.293 0.000 0.754 61 K CB -1.783 30.685 32.500 -0.054 0.000 1.326 61 K HN 0.356 nan 8.250 nan 0.000 0.465 62 L N 0.233 121.124 121.223 -0.553 0.000 2.410 62 L HA 0.546 4.650 4.340 -0.393 0.000 0.270 62 L C -0.992 175.614 176.870 -0.439 0.000 0.983 62 L CA -0.401 54.225 54.840 -0.357 0.000 0.822 62 L CB 1.096 43.006 42.059 -0.248 0.000 1.285 62 L HN 0.271 nan 8.230 nan 0.000 0.409 63 W N 3.359 124.618 121.300 -0.068 0.000 2.287 63 W HA 0.437 4.867 4.660 -0.382 0.000 0.313 63 W C -0.149 176.335 176.519 -0.058 0.000 1.267 63 W CA 0.019 57.367 57.345 0.005 0.000 1.201 63 W CB 0.508 29.895 29.460 -0.121 0.000 1.196 63 W HN 0.457 nan 8.180 nan 0.000 0.536 64 H N 2.860 122.064 119.070 0.224 0.000 2.466 64 H HA 0.515 4.838 4.556 -0.388 0.000 0.338 64 H C -0.858 174.688 175.328 0.363 0.000 1.091 64 H CA -0.880 55.269 56.048 0.168 0.000 1.207 64 H CB 1.492 31.198 29.762 -0.093 0.000 1.466 64 H HN 0.282 nan 8.280 nan 0.000 0.493 65 L N 4.239 125.604 121.223 0.237 0.000 2.349 65 L HA 0.436 4.540 4.340 -0.393 0.000 0.278 65 L C -1.785 174.982 176.870 -0.173 0.000 0.996 65 L CA -0.484 54.350 54.840 -0.009 0.000 0.825 65 L CB 0.253 42.055 42.059 -0.428 0.000 1.243 65 L HN 0.511 nan 8.230 nan 0.000 0.412 66 Y N 4.830 125.102 120.300 -0.047 0.000 2.602 66 Y HA 0.816 5.133 4.550 -0.388 0.000 0.330 66 Y C -0.452 175.269 175.900 -0.297 0.000 1.114 66 Y CA -0.675 57.282 58.100 -0.237 0.000 1.182 66 Y CB 1.733 39.932 38.460 -0.435 0.000 1.305 66 Y HN 0.553 nan 8.280 nan 0.000 0.502 67 F N -2.036 117.728 119.950 -0.310 0.000 2.688 67 F HA 0.399 4.693 4.527 -0.388 0.000 0.308 67 F C -1.406 174.275 175.800 -0.198 0.000 1.117 67 F CA -1.572 56.230 58.000 -0.331 0.000 0.976 67 F CB 1.025 39.864 39.000 -0.269 0.000 1.291 67 F HN 0.222 nan 8.300 nan 0.000 0.439 68 Q N 2.380 122.165 119.800 -0.026 0.000 2.263 68 Q HA 0.088 4.192 4.340 -0.393 0.000 0.289 68 Q C -1.569 174.620 176.000 0.316 0.000 1.061 68 Q CA 0.583 56.450 55.803 0.106 0.000 0.927 68 Q CB 0.853 29.643 28.738 0.087 0.000 1.154 68 Q HN 0.737 nan 8.270 nan 0.000 0.378 69 Y N 3.064 123.466 120.300 0.170 0.000 2.396 69 Y HA 0.285 4.603 4.550 -0.388 0.000 0.332 69 Y C -1.246 174.828 175.900 0.290 0.000 1.034 69 Y CA -1.738 56.519 58.100 0.263 0.000 1.057 69 Y CB 1.383 39.922 38.460 0.132 0.000 1.220 69 Y HN 0.534 nan 8.280 nan 0.000 0.440 70 N N 8.174 126.893 118.700 0.031 0.000 2.564 70 N HA 0.417 4.922 4.740 -0.393 0.000 0.248 70 N C -2.417 172.852 175.510 -0.401 0.000 0.986 70 N CA -2.605 50.352 53.050 -0.156 0.000 0.921 70 N CB 2.001 40.460 38.487 -0.047 0.000 1.136 70 N HN 0.353 nan 8.380 nan 0.000 0.509 71 P HA -0.000 nan 4.420 nan 0.000 0.230 71 P C 0.060 177.294 177.300 -0.110 0.000 1.158 71 P CA 0.763 63.572 63.100 -0.486 0.000 0.769 71 P CB 0.559 32.002 31.700 -0.429 0.000 0.807 72 N N -0.435 118.220 118.700 -0.075 0.000 2.325 72 N HA 0.182 4.686 4.740 -0.393 0.000 0.182 72 N C 0.713 176.230 175.510 0.012 0.000 1.088 72 N CA 0.318 53.359 53.050 -0.015 0.000 0.879 72 N CB 0.740 39.220 38.487 -0.011 0.000 0.983 72 N HN 0.132 nan 8.380 nan 0.000 0.471 73 A N -0.726 122.111 122.820 0.029 0.000 2.609 73 A HA 0.420 4.504 4.320 -0.393 0.000 0.291 73 A C 0.020 177.683 177.584 0.132 0.000 1.096 73 A CA -0.477 51.591 52.037 0.052 0.000 0.684 73 A CB 0.815 19.820 19.000 0.008 0.000 1.282 73 A HN -0.064 nan 8.150 nan 0.000 0.412 74 T N 0.047 114.679 114.554 0.129 0.000 3.406 74 T HA 0.552 4.666 4.350 -0.393 0.000 0.244 74 T C 0.104 174.948 174.700 0.239 0.000 0.949 74 T CA 0.973 63.200 62.100 0.211 0.000 0.926 74 T CB -1.440 67.489 68.868 0.101 0.000 1.089 74 T HN 1.847 nan 8.240 nan 0.000 0.604 75 A N 0.240 123.108 122.820 0.079 0.000 2.609 75 A HA 0.572 4.657 4.320 -0.393 0.000 0.291 75 A C -1.363 175.796 177.584 -0.708 0.000 1.096 75 A CA -1.099 50.723 52.037 -0.358 0.000 0.684 75 A CB 0.396 19.282 19.000 -0.190 0.000 1.282 75 A HN 0.569 nan 8.150 nan 0.000 0.412 76 W N 1.035 121.491 121.300 -1.408 0.000 2.223 76 W HA 0.452 4.875 4.660 -0.395 0.000 0.334 76 W C 0.553 176.872 176.519 -0.332 0.000 1.334 76 W CA 2.312 59.130 57.345 -0.878 0.000 1.246 76 W CB 0.680 29.847 29.460 -0.488 0.000 1.184 76 W HN 1.176 nan 8.180 nan 0.000 0.563 77 G N 4.173 112.567 108.800 -0.677 0.000 2.579 77 G HA2 0.212 3.937 3.960 -0.393 0.000 0.292 77 G HA3 0.212 3.937 3.960 -0.393 0.000 0.292 77 G C -1.593 172.881 174.900 -0.709 0.000 1.484 77 G CA -1.027 43.786 45.100 -0.477 0.000 0.813 77 G HN 0.414 nan 8.290 nan 0.000 0.515 78 Q N -0.074 119.472 119.800 -0.425 0.000 2.312 78 Q HA 0.257 4.361 4.340 -0.393 0.000 0.236 78 Q C -2.070 173.803 176.000 -0.210 0.000 0.965 78 Q CA -1.357 54.268 55.803 -0.297 0.000 0.894 78 Q CB 0.875 29.533 28.738 -0.133 0.000 1.225 78 Q HN 0.201 nan 8.270 nan 0.000 0.478 79 P HA -0.183 nan 4.420 nan 0.000 0.207 79 P C -1.084 175.865 177.300 -0.584 0.000 0.945 79 P CA 0.615 63.506 63.100 -0.349 0.000 1.033 79 P CB -0.213 31.408 31.700 -0.132 0.000 1.023 80 L N 5.287 126.173 121.223 -0.563 0.000 2.289 80 L HA 0.432 4.536 4.340 -0.393 0.000 0.285 80 L C -0.459 176.128 176.870 -0.471 0.000 1.049 80 L CA -0.254 54.328 54.840 -0.430 0.000 0.804 80 L CB 0.393 42.297 42.059 -0.259 0.000 1.195 80 L HN 0.211 nan 8.230 nan 0.000 0.428 81 Y N 1.742 122.059 120.300 0.029 0.000 2.633 81 Y HA 0.426 4.740 4.550 -0.393 0.000 0.339 81 Y C -1.017 175.026 175.900 0.238 0.000 1.045 81 Y CA -0.584 57.567 58.100 0.085 0.000 1.098 81 Y CB 0.999 39.501 38.460 0.071 0.000 1.296 81 Y HN 0.429 nan 8.280 nan 0.000 0.494 82 W N 1.903 123.218 121.300 0.025 0.000 2.387 82 W HA 0.540 4.967 4.660 -0.389 0.000 0.310 82 W C 0.513 176.932 176.519 -0.168 0.000 1.181 82 W CA -1.140 56.138 57.345 -0.113 0.000 1.333 82 W CB 0.627 29.959 29.460 -0.213 0.000 1.286 82 W HN 0.608 nan 8.180 nan 0.000 0.455 83 G N 1.807 110.315 108.800 -0.487 0.000 2.634 83 G HA2 0.278 4.002 3.960 -0.393 0.000 0.255 83 G HA3 0.278 4.002 3.960 -0.393 0.000 0.255 83 G C -1.289 173.118 174.900 -0.822 0.000 1.205 83 G CA -0.320 44.121 45.100 -1.097 0.000 0.884 83 G HN 0.613 nan 8.290 nan 0.000 0.549 84 H N -1.041 117.711 119.070 -0.531 0.000 2.947 84 H HA 0.541 4.863 4.556 -0.390 0.000 0.354 84 H C -1.035 174.233 175.328 -0.100 0.000 1.085 84 H CA -0.546 55.325 56.048 -0.296 0.000 1.253 84 H CB 1.760 31.454 29.762 -0.113 0.000 1.757 84 H HN 0.806 nan 8.280 nan 0.000 0.523 85 A N 3.098 125.726 122.820 -0.320 0.000 2.515 85 A HA 0.587 4.672 4.320 -0.393 0.000 0.298 85 A C -0.644 176.857 177.584 -0.139 0.000 1.059 85 A CA -0.378 51.441 52.037 -0.364 0.000 0.698 85 A CB 1.833 20.431 19.000 -0.670 0.000 1.289 85 A HN 0.671 nan 8.150 nan 0.000 0.404 86 T N -1.524 113.030 114.554 0.001 0.000 2.916 86 T HA 0.855 4.969 4.350 -0.393 0.000 0.292 86 T C -0.262 174.431 174.700 -0.012 0.000 1.064 86 T CA -0.529 61.591 62.100 0.033 0.000 1.011 86 T CB 1.722 70.513 68.868 -0.127 0.000 1.152 86 T HN 1.565 nan 8.240 nan 0.000 0.510 87 S N -0.007 115.544 115.700 -0.247 0.000 2.541 87 S HA 0.371 4.605 4.470 -0.393 0.000 0.271 87 S C 0.439 174.952 174.600 -0.145 0.000 1.133 87 S CA -0.648 57.275 58.200 -0.461 0.000 0.876 87 S CB 1.421 63.798 63.200 -1.371 0.000 1.105 87 S HN 0.920 nan 8.310 nan 0.000 0.470 88 N N 2.147 120.788 118.700 -0.099 0.000 2.424 88 N HA -0.005 4.500 4.740 -0.393 0.000 0.178 88 N C 0.204 175.790 175.510 0.125 0.000 1.060 88 N CA 1.038 54.112 53.050 0.042 0.000 0.901 88 N CB -0.069 38.410 38.487 -0.014 0.000 0.979 88 N HN 0.738 nan 8.380 nan 0.000 0.451 89 D N -0.504 119.859 120.400 -0.063 0.000 2.516 89 D HA 0.124 4.529 4.640 -0.393 0.000 0.241 89 D C 0.767 176.852 176.300 -0.359 0.000 1.246 89 D CA -0.434 53.489 54.000 -0.129 0.000 0.808 89 D CB -0.422 40.339 40.800 -0.065 0.000 1.147 89 D HN 0.115 nan 8.370 nan 0.000 0.527 90 L N -0.236 120.625 121.223 -0.604 0.000 4.696 90 L HA -0.276 3.828 4.340 -0.393 0.000 0.425 90 L C 1.028 177.614 176.870 -0.473 0.000 1.115 90 L CA 0.969 55.383 54.840 -0.711 0.000 0.996 90 L CB -1.687 39.935 42.059 -0.728 0.000 2.077 90 L HN 0.319 nan 8.230 nan 0.000 0.792 91 V N -6.613 112.987 119.914 -0.523 0.000 3.350 91 V HA 0.220 4.104 4.120 -0.393 0.000 0.246 91 V C 0.860 176.655 176.094 -0.500 0.000 1.363 91 V CA 0.151 62.215 62.300 -0.392 0.000 1.162 91 V CB 0.292 31.889 31.823 -0.377 0.000 0.947 91 V HN 0.363 nan 8.190 nan 0.000 0.454 92 H N 0.194 119.016 119.070 -0.413 0.000 2.597 92 H HA 0.576 5.080 4.556 -0.087 0.000 0.303 92 H C -1.464 173.628 175.328 -0.395 0.000 1.057 92 H CA -0.170 55.717 56.048 -0.269 0.000 1.261 92 H CB 0.534 30.179 29.762 -0.195 0.000 1.397 92 H HN 0.486 nan 8.280 nan 0.000 0.461 93 W N 2.601 123.935 121.300 0.056 0.000 2.573 93 W HA 0.303 4.725 4.660 -0.397 0.000 0.326 93 W C -0.580 175.932 176.519 -0.010 0.000 1.049 93 W CA -0.731 56.634 57.345 0.033 0.000 1.220 93 W CB 1.277 30.833 29.460 0.160 0.000 1.373 93 W HN 0.474 nan 8.180 nan 0.000 0.507 94 D N 2.634 123.103 120.400 0.115 0.000 2.392 94 D HA 0.059 4.463 4.640 -0.393 0.000 0.228 94 D C -0.537 175.533 176.300 -0.384 0.000 1.074 94 D CA -0.460 53.478 54.000 -0.104 0.000 0.838 94 D CB 1.500 42.222 40.800 -0.130 0.000 1.067 94 D HN 0.451 nan 8.370 nan 0.000 0.511 95 E N 2.569 122.657 120.200 -0.186 0.000 2.316 95 E HA 0.064 4.179 4.350 -0.393 0.000 0.275 95 E C -0.290 176.120 176.600 -0.317 0.000 1.029 95 E CA -0.305 56.001 56.400 -0.158 0.000 0.871 95 E CB 0.602 30.363 29.700 0.102 0.000 1.022 95 E HN 0.415 nan 8.360 nan 0.000 0.418 96 H N 2.147 121.230 119.070 0.021 0.000 2.810 96 H HA 0.255 4.577 4.556 -0.390 0.000 0.316 96 H C -0.106 175.290 175.328 0.113 0.000 1.426 96 H CA -0.791 55.296 56.048 0.065 0.000 1.413 96 H CB 0.628 30.409 29.762 0.031 0.000 1.874 96 H HN 0.533 nan 8.280 nan 0.000 0.737 97 E N 0.822 121.209 120.200 0.312 0.000 2.418 97 E HA 0.051 4.166 4.350 -0.393 0.000 0.261 97 E C 0.448 177.190 176.600 0.237 0.000 1.070 97 E CA -0.101 56.433 56.400 0.223 0.000 0.931 97 E CB 0.875 30.692 29.700 0.195 0.000 0.954 97 E HN 0.334 nan 8.360 nan 0.000 0.439 98 I N 1.793 122.458 120.570 0.159 0.000 2.906 98 I HA -0.220 3.714 4.170 -0.393 0.000 0.302 98 I C 1.399 177.635 176.117 0.197 0.000 1.220 98 I CA 0.450 61.836 61.300 0.143 0.000 1.441 98 I CB 0.543 38.551 38.000 0.014 0.000 1.336 98 I HN 0.577 nan 8.210 nan 0.000 0.565 99 A N 7.875 130.841 122.820 0.244 0.000 1.911 99 A HA 0.307 4.391 4.320 -0.393 0.000 0.212 99 A C 0.838 178.496 177.584 0.124 0.000 1.189 99 A CA 0.870 53.078 52.037 0.285 0.000 0.639 99 A CB 0.106 19.348 19.000 0.403 0.000 0.839 99 A HN 0.623 nan 8.150 nan 0.000 0.449 100 I N -1.206 119.362 120.570 -0.004 0.000 2.569 100 I HA 0.586 4.520 4.170 -0.393 0.000 0.290 100 I C -0.025 176.056 176.117 -0.060 0.000 1.088 100 I CA -0.721 60.440 61.300 -0.231 0.000 1.047 100 I CB 2.199 39.708 38.000 -0.818 0.000 1.237 100 I HN 0.163 nan 8.210 nan 0.000 0.421 101 G N 4.679 113.454 108.800 -0.041 0.000 2.569 101 G HA2 0.797 4.522 3.960 -0.393 0.000 0.300 101 G HA3 0.797 4.522 3.960 -0.393 0.000 0.300 101 G C -3.088 171.711 174.900 -0.169 0.000 1.269 101 G CA -1.466 43.666 45.100 0.053 0.000 0.959 101 G HN 0.298 nan 8.290 nan 0.000 0.478 102 P HA 0.222 nan 4.420 nan 0.000 0.274 102 P C 0.286 177.472 177.300 -0.191 0.000 1.246 102 P CA -0.199 62.766 63.100 -0.225 0.000 0.795 102 P CB 2.050 33.597 31.700 -0.256 0.000 1.006 103 E N -0.425 119.645 120.200 -0.216 0.000 2.152 103 E HA -0.114 4.000 4.350 -0.393 0.000 0.192 103 E C -0.017 176.237 176.600 -0.578 0.000 0.983 103 E CA 1.098 57.267 56.400 -0.385 0.000 0.818 103 E CB -0.024 29.412 29.700 -0.441 0.000 0.758 103 E HN 0.613 nan 8.360 nan 0.000 0.467 104 H N -1.465 117.561 119.070 -0.074 0.000 2.865 104 H HA 0.120 4.440 4.556 -0.393 0.000 0.372 104 H C -0.279 174.998 175.328 -0.084 0.000 1.173 104 H CA -0.804 55.206 56.048 -0.063 0.000 1.147 104 H CB 1.512 31.242 29.762 -0.053 0.000 1.805 104 H HN -0.173 nan 8.280 nan 0.000 0.553 105 D N -0.139 120.302 120.400 0.067 0.000 2.311 105 D HA -0.154 4.250 4.640 -0.393 0.000 0.212 105 D C 1.030 177.319 176.300 -0.019 0.000 0.972 105 D CA 1.084 55.083 54.000 -0.003 0.000 0.887 105 D CB 0.009 40.816 40.800 0.012 0.000 0.915 105 D HN 0.523 nan 8.370 nan 0.000 0.497 106 N N -0.264 118.446 118.700 0.016 0.000 2.461 106 N HA -0.026 4.478 4.740 -0.393 0.000 0.188 106 N C -0.053 175.447 175.510 -0.015 0.000 1.134 106 N CA 0.258 53.307 53.050 -0.002 0.000 0.878 106 N CB 0.550 39.029 38.487 -0.013 0.000 0.972 106 N HN 0.251 nan 8.380 nan 0.000 0.456 107 E N -1.580 118.597 120.200 -0.038 0.000 2.450 107 E HA 0.636 4.750 4.350 -0.393 0.000 0.272 107 E C -0.828 175.703 176.600 -0.114 0.000 0.967 107 E CA -1.080 55.278 56.400 -0.071 0.000 0.818 107 E CB 2.183 31.853 29.700 -0.050 0.000 1.401 107 E HN 0.050 nan 8.360 nan 0.000 0.450 108 G N 0.473 109.203 108.800 -0.117 0.000 2.742 108 G HA2 0.424 4.149 3.960 -0.393 0.000 0.296 108 G HA3 0.424 4.149 3.960 -0.393 0.000 0.296 108 G C -1.226 173.686 174.900 0.020 0.000 1.436 108 G CA -0.653 44.430 45.100 -0.029 0.000 0.928 108 G HN 0.253 nan 8.290 nan 0.000 0.520 109 I N 2.749 123.324 120.570 0.010 0.000 2.329 109 I HA 0.284 4.219 4.170 -0.393 0.000 0.295 109 I C -0.064 176.304 176.117 0.418 0.000 1.109 109 I CA -0.562 60.730 61.300 -0.014 0.000 1.297 109 I CB -0.433 37.289 38.000 -0.462 0.000 1.433 109 I HN 0.164 nan 8.210 nan 0.000 0.509 110 F N 3.462 123.529 119.950 0.196 0.000 2.234 110 F HA 0.260 4.552 4.527 -0.392 0.000 0.292 110 F C 1.604 177.660 175.800 0.426 0.000 1.187 110 F CA -0.773 57.402 58.000 0.292 0.000 1.128 110 F CB 0.199 39.333 39.000 0.224 0.000 1.507 110 F HN 0.291 nan 8.300 nan 0.000 0.512 111 S N -0.652 115.319 115.700 0.451 0.000 2.576 111 S HA 0.525 4.759 4.470 -0.393 0.000 0.272 111 S C 0.353 175.190 174.600 0.396 0.000 1.352 111 S CA 0.342 58.725 58.200 0.304 0.000 1.021 111 S CB 0.584 63.850 63.200 0.111 0.000 0.887 111 S HN 0.959 nan 8.310 nan 0.000 0.542 112 G N 0.173 109.179 108.800 0.343 0.000 2.340 112 G HA2 0.547 4.271 3.960 -0.393 0.000 0.299 112 G HA3 0.547 4.271 3.960 -0.393 0.000 0.299 112 G C -1.244 173.791 174.900 0.225 0.000 1.291 112 G CA -0.153 45.179 45.100 0.385 0.000 0.841 112 G HN 1.037 nan 8.290 nan 0.000 0.500 113 S N -1.585 114.270 115.700 0.259 0.000 2.697 113 S HA 0.862 5.096 4.470 -0.393 0.000 0.289 113 S C -1.044 173.660 174.600 0.175 0.000 1.149 113 S CA -0.835 57.449 58.200 0.140 0.000 0.850 113 S CB 1.995 65.257 63.200 0.102 0.000 1.151 113 S HN 0.802 nan 8.310 nan 0.000 0.491 114 I N 1.233 121.875 120.570 0.120 0.000 2.608 114 I HA 0.612 4.546 4.170 -0.393 0.000 0.295 114 I C -0.867 175.282 176.117 0.053 0.000 1.049 114 I CA -1.084 60.238 61.300 0.037 0.000 1.063 114 I CB 2.229 40.186 38.000 -0.072 0.000 1.248 114 I HN 0.771 nan 8.210 nan 0.000 0.424 115 V N 3.679 123.584 119.914 -0.013 0.000 2.960 115 V HA 0.651 4.535 4.120 -0.393 0.000 0.315 115 V C -0.711 175.331 176.094 -0.087 0.000 1.087 115 V CA -0.714 61.620 62.300 0.056 0.000 0.982 115 V CB 1.971 33.863 31.823 0.116 0.000 1.039 115 V HN 0.361 nan 8.190 nan 0.000 0.437 116 V N 1.876 121.776 119.914 -0.023 0.000 2.370 116 V HA 0.382 4.266 4.120 -0.393 0.000 0.283 116 V C -0.298 175.689 176.094 -0.179 0.000 1.023 116 V CA 0.061 62.204 62.300 -0.262 0.000 0.857 116 V CB 1.180 32.762 31.823 -0.402 0.000 0.985 116 V HN 1.048 nan 8.190 nan 0.000 0.443 117 D N 3.187 123.472 120.400 -0.192 0.000 2.741 117 D HA 0.146 4.550 4.640 -0.393 0.000 0.233 117 D C 1.413 177.649 176.300 -0.107 0.000 1.160 117 D CA -0.111 53.929 54.000 0.067 0.000 1.003 117 D CB 0.074 40.977 40.800 0.171 0.000 1.064 117 D HN 0.587 nan 8.370 nan 0.000 0.503 118 H N 0.941 119.984 119.070 -0.046 0.000 2.357 118 H HA -0.135 4.184 4.556 -0.394 0.000 0.296 118 H C 0.730 175.994 175.328 -0.106 0.000 1.108 118 H CA 1.127 57.110 56.048 -0.109 0.000 1.273 118 H CB 0.176 29.866 29.762 -0.121 0.000 1.367 118 H HN 0.314 nan 8.280 nan 0.000 0.498 119 N N 0.649 119.347 118.700 -0.004 0.000 2.314 119 N HA -0.050 4.455 4.740 -0.393 0.000 0.200 119 N C -0.005 175.499 175.510 -0.010 0.000 1.135 119 N CA 0.017 53.037 53.050 -0.050 0.000 0.835 119 N CB -0.198 38.197 38.487 -0.153 0.000 0.989 119 N HN 0.255 nan 8.380 nan 0.000 0.478 120 N N -0.077 118.654 118.700 0.053 0.000 2.727 120 N HA -0.213 4.291 4.740 -0.393 0.000 0.249 120 N C 0.678 176.203 175.510 0.025 0.000 1.048 120 N CA 0.984 54.098 53.050 0.108 0.000 0.714 120 N CB -1.274 37.271 38.487 0.097 0.000 0.959 120 N HN 0.418 nan 8.380 nan 0.000 0.544 121 T N -4.484 110.103 114.554 0.056 0.000 2.915 121 T HA -0.144 3.970 4.350 -0.393 0.000 0.269 121 T C 1.866 176.509 174.700 -0.095 0.000 1.071 121 T CA 1.499 63.623 62.100 0.040 0.000 1.132 121 T CB -0.524 68.483 68.868 0.232 0.000 0.878 121 T HN 0.459 nan 8.240 nan 0.000 0.479 122 S N 0.794 116.375 115.700 -0.199 0.000 2.461 122 S HA 0.341 4.575 4.470 -0.393 0.000 0.228 122 S C 2.138 176.223 174.600 -0.857 0.000 1.005 122 S CA 0.609 58.438 58.200 -0.618 0.000 0.942 122 S CB -0.877 61.862 63.200 -0.767 0.000 0.776 122 S HN 1.298 nan 8.310 nan 0.000 0.514 123 G N 0.360 108.853 108.800 -0.511 0.000 2.179 123 G HA2 -0.254 3.470 3.960 -0.393 0.000 0.260 123 G HA3 -0.254 3.470 3.960 -0.393 0.000 0.260 123 G C 0.328 174.949 174.900 -0.464 0.000 0.977 123 G CA 0.375 45.227 45.100 -0.414 0.000 0.641 123 G HN 0.514 nan 8.290 nan 0.000 0.533 124 F N -0.043 119.506 119.950 -0.669 0.000 2.615 124 F HA 0.418 4.709 4.527 -0.393 0.000 0.297 124 F C 1.145 176.275 175.800 -1.116 0.000 1.124 124 F CA -0.380 56.877 58.000 -1.240 0.000 1.451 124 F CB -0.147 37.648 39.000 -2.009 0.000 1.103 124 F HN 0.171 nan 8.300 nan 0.000 0.569 125 F N 0.123 120.022 119.950 -0.084 0.000 2.449 125 F HA 0.347 4.639 4.527 -0.392 0.000 0.342 125 F C 0.578 176.348 175.800 -0.049 0.000 1.127 125 F CA -1.339 56.626 58.000 -0.059 0.000 0.975 125 F CB 0.482 39.458 39.000 -0.040 0.000 1.146 125 F HN -0.316 nan 8.300 nan 0.000 0.444 126 N N 0.328 119.105 118.700 0.128 0.000 2.288 126 N HA -0.048 4.456 4.740 -0.393 0.000 0.237 126 N C 1.219 176.772 175.510 0.072 0.000 1.311 126 N CA 0.068 53.160 53.050 0.070 0.000 0.909 126 N CB 0.761 39.279 38.487 0.052 0.000 1.167 126 N HN 0.580 nan 8.380 nan 0.000 0.476 127 S N -0.622 115.102 115.700 0.040 0.000 2.555 127 S HA -0.082 4.153 4.470 -0.393 0.000 0.230 127 S C 1.566 176.182 174.600 0.027 0.000 0.978 127 S CA 1.005 59.222 58.200 0.028 0.000 0.934 127 S CB -0.259 62.951 63.200 0.016 0.000 0.766 127 S HN 0.609 nan 8.310 nan 0.000 0.533 128 S N 0.446 116.167 115.700 0.036 0.000 2.593 128 S HA 0.262 4.496 4.470 -0.393 0.000 0.217 128 S C 0.418 175.042 174.600 0.039 0.000 0.966 128 S CA -0.340 57.880 58.200 0.033 0.000 0.914 128 S CB -0.224 62.996 63.200 0.033 0.000 0.776 128 S HN 0.369 nan 8.310 nan 0.000 0.523 129 I N 2.956 123.557 120.570 0.052 0.000 2.355 129 I HA 0.341 4.275 4.170 -0.393 0.000 0.288 129 I C 0.098 176.206 176.117 -0.014 0.000 0.999 129 I CA -0.853 60.470 61.300 0.038 0.000 1.163 129 I CB 0.982 39.046 38.000 0.107 0.000 1.316 129 I HN 0.250 nan 8.210 nan 0.000 0.454 130 D N 8.650 129.035 120.400 -0.026 0.000 2.525 130 D HA -0.008 4.397 4.640 -0.393 0.000 0.235 130 D C -1.622 174.634 176.300 -0.072 0.000 1.137 130 D CA -0.889 53.092 54.000 -0.032 0.000 0.868 130 D CB 1.969 42.756 40.800 -0.022 0.000 1.180 130 D HN 0.225 nan 8.370 nan 0.000 0.465 131 P HA -0.129 nan 4.420 nan 0.000 0.216 131 P C 0.650 177.918 177.300 -0.053 0.000 1.150 131 P CA 1.005 64.088 63.100 -0.029 0.000 0.843 131 P CB 0.194 31.939 31.700 0.075 0.000 0.787 132 N N -1.138 117.574 118.700 0.020 0.000 2.571 132 N HA -0.079 4.425 4.740 -0.393 0.000 0.189 132 N C 1.193 176.653 175.510 -0.083 0.000 1.154 132 N CA 0.709 53.772 53.050 0.022 0.000 0.907 132 N CB -0.168 38.362 38.487 0.073 0.000 0.977 132 N HN 0.342 nan 8.380 nan 0.000 0.449 133 Q N -0.426 119.280 119.800 -0.157 0.000 2.139 133 Q HA 0.251 4.355 4.340 -0.393 0.000 0.219 133 Q C -0.379 175.409 176.000 -0.353 0.000 0.805 133 Q CA -0.157 55.551 55.803 -0.157 0.000 1.024 133 Q CB 0.664 29.360 28.738 -0.070 0.000 1.163 133 Q HN 0.050 nan 8.270 nan 0.000 0.485 134 R N 0.921 121.062 120.500 -0.599 0.000 3.268 134 R HA 0.233 4.337 4.340 -0.393 0.000 0.217 134 R C -0.730 175.007 176.300 -0.937 0.000 1.568 134 R CA 0.017 55.327 56.100 -1.318 0.000 1.322 134 R CB -0.131 29.318 30.300 -1.418 0.000 1.280 134 R HN 0.136 nan 8.270 nan 0.000 0.667 135 I N 1.924 122.205 120.570 -0.482 0.000 2.325 135 I HA 0.136 4.070 4.170 -0.393 0.000 0.291 135 I C -0.153 176.034 176.117 0.116 0.000 1.019 135 I CA -0.493 60.650 61.300 -0.263 0.000 1.302 135 I CB 1.449 39.222 38.000 -0.378 0.000 1.401 135 I HN 0.044 nan 8.210 nan 0.000 0.485 136 V N 6.164 126.127 119.914 0.082 0.000 2.487 136 V HA 0.631 4.515 4.120 -0.393 0.000 0.298 136 V C 0.181 176.326 176.094 0.086 0.000 1.028 136 V CA -0.710 61.710 62.300 0.201 0.000 0.860 136 V CB 1.604 33.530 31.823 0.172 0.000 0.991 136 V HN 0.800 nan 8.190 nan 0.000 0.427 137 A N 5.834 128.716 122.820 0.104 0.000 2.290 137 A HA 0.889 4.973 4.320 -0.393 0.000 0.310 137 A C -0.776 176.798 177.584 -0.017 0.000 1.202 137 A CA -0.295 51.702 52.037 -0.068 0.000 0.837 137 A CB 0.327 18.998 19.000 -0.549 0.000 1.139 137 A HN 0.713 nan 8.150 nan 0.000 0.509 138 I N 3.052 123.631 120.570 0.014 0.000 2.418 138 I HA 0.521 4.455 4.170 -0.393 0.000 0.287 138 I C -0.557 175.558 176.117 -0.002 0.000 1.008 138 I CA -0.228 61.022 61.300 -0.083 0.000 1.104 138 I CB 1.183 39.130 38.000 -0.088 0.000 1.264 138 I HN 0.667 nan 8.210 nan 0.000 0.438 139 Y N 1.571 121.770 120.300 -0.170 0.000 2.615 139 Y HA 0.757 5.071 4.550 -0.393 0.000 0.341 139 Y C -0.550 175.279 175.900 -0.118 0.000 1.089 139 Y CA -1.345 56.697 58.100 -0.097 0.000 1.049 139 Y CB 0.770 39.047 38.460 -0.305 0.000 1.296 139 Y HN 0.296 nan 8.280 nan 0.000 0.470 140 T N 2.632 117.270 114.554 0.139 0.000 2.780 140 T HA 0.173 4.288 4.350 -0.393 0.000 0.294 140 T C -0.550 174.233 174.700 0.138 0.000 0.949 140 T CA -0.333 61.786 62.100 0.032 0.000 1.074 140 T CB 0.001 68.928 68.868 0.098 0.000 0.910 140 T HN 0.574 nan 8.240 nan 0.000 0.501 141 N N 3.241 121.928 118.700 -0.021 0.000 2.414 141 N HA 0.167 4.671 4.740 -0.393 0.000 0.256 141 N C -0.648 174.747 175.510 -0.191 0.000 1.029 141 N CA -0.478 52.559 53.050 -0.021 0.000 0.948 141 N CB 0.463 38.941 38.487 -0.015 0.000 1.102 141 N HN 0.490 nan 8.380 nan 0.000 0.496 142 N N 3.394 121.860 118.700 -0.390 0.000 2.426 142 N HA 0.480 4.985 4.740 -0.393 0.000 0.275 142 N C -1.171 174.161 175.510 -0.297 0.000 1.019 142 N CA -0.289 52.414 53.050 -0.577 0.000 0.941 142 N CB 0.545 38.131 38.487 -1.502 0.000 1.123 142 N HN 0.489 nan 8.380 nan 0.000 0.486 143 I N 3.114 123.571 120.570 -0.187 0.000 2.934 143 I HA 0.429 4.363 4.170 -0.393 0.000 0.306 143 I C -2.177 173.896 176.117 -0.073 0.000 1.110 143 I CA -2.684 58.557 61.300 -0.097 0.000 1.019 143 I CB 2.531 40.492 38.000 -0.064 0.000 1.227 143 I HN 0.434 nan 8.210 nan 0.000 0.434 144 P HA 0.018 nan 4.420 nan 0.000 0.261 144 P C -0.615 176.665 177.300 -0.032 0.000 1.183 144 P CA 0.671 63.752 63.100 -0.031 0.000 0.761 144 P CB 0.163 31.845 31.700 -0.031 0.000 0.785 145 D N -0.323 120.063 120.400 -0.024 0.000 3.046 145 D HA -0.197 4.207 4.640 -0.393 0.000 0.210 145 D C -0.001 176.286 176.300 -0.022 0.000 1.124 145 D CA 1.320 55.308 54.000 -0.021 0.000 0.986 145 D CB -1.328 39.459 40.800 -0.021 0.000 1.118 145 D HN 0.435 nan 8.370 nan 0.000 0.416 146 N N 0.176 118.858 118.700 -0.031 0.000 2.369 146 N HA 0.278 4.782 4.740 -0.393 0.000 0.287 146 N C -1.617 173.870 175.510 -0.039 0.000 1.067 146 N CA -0.269 52.767 53.050 -0.024 0.000 0.888 146 N CB 1.402 39.874 38.487 -0.025 0.000 1.616 146 N HN -0.074 nan 8.380 nan 0.000 0.482 147 Q N 1.080 120.887 119.800 0.012 0.000 2.325 147 Q HA 0.542 4.646 4.340 -0.393 0.000 0.270 147 Q C -0.741 175.324 176.000 0.108 0.000 1.020 147 Q CA -0.848 54.959 55.803 0.007 0.000 0.785 147 Q CB 2.042 30.801 28.738 0.036 0.000 1.259 147 Q HN 0.709 nan 8.270 nan 0.000 0.452 148 T N -1.121 113.438 114.554 0.009 0.000 2.907 148 T HA 0.480 4.594 4.350 -0.393 0.000 0.290 148 T C -0.475 174.127 174.700 -0.163 0.000 1.066 148 T CA -1.039 61.075 62.100 0.023 0.000 1.012 148 T CB 1.727 70.590 68.868 -0.009 0.000 1.184 148 T HN 0.227 nan 8.240 nan 0.000 0.522 149 Q N 1.643 121.305 119.800 -0.229 0.000 2.278 149 Q HA 0.604 4.708 4.340 -0.393 0.000 0.257 149 Q C -1.207 174.571 176.000 -0.370 0.000 0.928 149 Q CA -0.332 55.234 55.803 -0.395 0.000 0.932 149 Q CB 1.350 29.760 28.738 -0.547 0.000 1.221 149 Q HN 0.699 nan 8.270 nan 0.000 0.434 150 D N 1.259 121.305 120.400 -0.590 0.000 2.477 150 D HA 0.649 5.053 4.640 -0.393 0.000 0.234 150 D C -0.153 175.693 176.300 -0.758 0.000 1.048 150 D CA -0.552 53.069 54.000 -0.631 0.000 0.959 150 D CB 1.696 42.032 40.800 -0.773 0.000 1.408 150 D HN 0.501 nan 8.370 nan 0.000 0.496 151 I N -2.384 117.994 120.570 -0.321 0.000 2.785 151 I HA 0.945 4.880 4.170 -0.393 0.000 0.302 151 I C -1.261 174.894 176.117 0.064 0.000 1.069 151 I CA -1.063 60.167 61.300 -0.117 0.000 1.045 151 I CB 2.278 40.303 38.000 0.042 0.000 1.236 151 I HN 0.396 nan 8.210 nan 0.000 0.429 152 A N 3.775 126.657 122.820 0.104 0.000 2.572 152 A HA 0.835 4.920 4.320 -0.393 0.000 0.295 152 A C -1.248 176.419 177.584 0.138 0.000 1.072 152 A CA -0.555 51.505 52.037 0.040 0.000 0.691 152 A CB 1.464 20.468 19.000 0.007 0.000 1.291 152 A HN 0.851 nan 8.150 nan 0.000 0.404 153 F N 0.129 120.020 119.950 -0.099 0.000 2.522 153 F HA 0.867 5.158 4.527 -0.393 0.000 0.324 153 F C 0.057 175.733 175.800 -0.207 0.000 1.077 153 F CA -0.955 56.976 58.000 -0.115 0.000 0.944 153 F CB 1.899 40.586 39.000 -0.522 0.000 1.175 153 F HN 0.462 nan 8.300 nan 0.000 0.468 154 S N 2.674 118.286 115.700 -0.147 0.000 2.473 154 S HA 0.583 4.817 4.470 -0.393 0.000 0.307 154 S C -0.089 174.518 174.600 0.011 0.000 1.094 154 S CA -0.772 57.141 58.200 -0.478 0.000 1.070 154 S CB 1.009 63.550 63.200 -1.097 0.000 1.019 154 S HN 0.833 nan 8.310 nan 0.000 0.480 155 L N 3.218 124.448 121.223 0.012 0.000 2.693 155 L HA 0.337 4.441 4.340 -0.393 0.000 0.235 155 L C 0.377 177.278 176.870 0.051 0.000 1.127 155 L CA 0.012 54.924 54.840 0.119 0.000 0.914 155 L CB 0.082 42.230 42.059 0.149 0.000 1.193 155 L HN 0.652 nan 8.230 nan 0.000 0.502 156 D N -0.834 119.573 120.400 0.011 0.000 2.696 156 D HA 0.180 4.584 4.640 -0.393 0.000 0.269 156 D C 1.102 177.497 176.300 0.159 0.000 1.319 156 D CA 0.061 54.094 54.000 0.055 0.000 0.826 156 D CB 0.489 41.312 40.800 0.039 0.000 1.086 156 D HN 0.102 nan 8.370 nan 0.000 0.481 157 G N -0.282 108.592 108.800 0.123 0.000 2.143 157 G HA2 -0.027 3.697 3.960 -0.393 0.000 0.248 157 G HA3 -0.027 3.697 3.960 -0.393 0.000 0.248 157 G C 1.072 176.125 174.900 0.256 0.000 0.991 157 G CA 0.254 45.485 45.100 0.218 0.000 0.689 157 G HN 1.469 nan 8.290 nan 0.000 0.522 158 G N -2.424 106.408 108.800 0.053 0.000 2.138 158 G HA2 -0.159 3.565 3.960 -0.393 0.000 0.193 158 G HA3 -0.159 3.565 3.960 -0.393 0.000 0.193 158 G C 0.596 175.492 174.900 -0.005 0.000 0.998 158 G CA 0.751 45.820 45.100 -0.053 0.000 0.668 158 G HN 0.927 nan 8.290 nan 0.000 0.516 159 Y N 0.998 121.354 120.300 0.093 0.000 2.396 159 Y HA 0.304 4.617 4.550 -0.396 0.000 0.292 159 Y C 2.057 178.058 175.900 0.168 0.000 1.128 159 Y CA 1.418 59.648 58.100 0.217 0.000 1.194 159 Y CB 0.285 38.825 38.460 0.135 0.000 1.124 159 Y HN 0.463 nan 8.280 nan 0.000 0.543 160 T N -2.023 112.604 114.554 0.122 0.000 2.908 160 T HA 0.642 4.756 4.350 -0.393 0.000 0.290 160 T C -1.052 173.520 174.700 -0.215 0.000 1.034 160 T CA -0.625 61.514 62.100 0.065 0.000 1.010 160 T CB 1.793 70.681 68.868 0.033 0.000 1.068 160 T HN -0.128 nan 8.240 nan 0.000 0.481 161 F N 0.174 120.040 119.950 -0.140 0.000 2.576 161 F HA 0.603 4.893 4.527 -0.395 0.000 0.313 161 F C 0.305 175.870 175.800 -0.391 0.000 1.078 161 F CA -0.715 57.117 58.000 -0.281 0.000 0.921 161 F CB 2.828 41.647 39.000 -0.301 0.000 1.232 161 F HN 0.623 nan 8.300 nan 0.000 0.459 162 T N 2.354 116.590 114.554 -0.530 0.000 2.779 162 T HA 0.354 4.468 4.350 -0.393 0.000 0.280 162 T C -0.434 173.901 174.700 -0.610 0.000 0.987 162 T CA -0.991 60.714 62.100 -0.658 0.000 0.966 162 T CB 0.997 69.250 68.868 -1.026 0.000 0.933 162 T HN 0.331 nan 8.240 nan 0.000 0.442 163 K N 1.958 122.185 120.400 -0.287 0.000 2.326 163 K HA 0.200 4.285 4.320 -0.393 0.000 0.275 163 K C -0.331 176.242 176.600 -0.044 0.000 1.018 163 K CA -0.639 55.574 56.287 -0.122 0.000 0.962 163 K CB 0.484 32.950 32.500 -0.057 0.000 0.953 163 K HN 0.549 nan 8.250 nan 0.000 0.475 164 Y N 2.746 123.003 120.300 -0.072 0.000 2.526 164 Y HA -0.099 4.216 4.550 -0.393 0.000 0.330 164 Y C 1.299 177.224 175.900 0.042 0.000 1.156 164 Y CA 0.132 58.257 58.100 0.040 0.000 1.419 164 Y CB 0.472 39.024 38.460 0.154 0.000 1.250 164 Y HN 0.729 nan 8.280 nan 0.000 0.540 165 E N 3.074 123.113 120.200 -0.268 0.000 2.114 165 E HA -0.280 3.834 4.350 -0.393 0.000 0.199 165 E C 0.365 176.655 176.600 -0.518 0.000 1.008 165 E CA 1.623 57.820 56.400 -0.338 0.000 0.810 165 E CB 0.135 29.713 29.700 -0.203 0.000 0.739 165 E HN 0.698 nan 8.360 nan 0.000 0.456 166 N N 1.342 119.384 118.700 -1.096 0.000 2.279 166 N HA 0.035 4.539 4.740 -0.393 0.000 0.226 166 N C -0.431 174.850 175.510 -0.382 0.000 1.126 166 N CA -0.059 52.600 53.050 -0.653 0.000 0.846 166 N CB 0.080 38.270 38.487 -0.495 0.000 1.050 166 N HN 0.036 nan 8.380 nan 0.000 0.502 167 N N 2.791 121.312 118.700 -0.299 0.000 2.407 167 N HA 0.064 4.568 4.740 -0.393 0.000 0.250 167 N C -2.051 173.419 175.510 -0.067 0.000 1.236 167 N CA -0.291 52.721 53.050 -0.065 0.000 0.879 167 N CB 0.422 38.879 38.487 -0.050 0.000 1.088 167 N HN 0.211 nan 8.380 nan 0.000 0.450 168 P HA 0.090 nan 4.420 nan 0.000 0.281 168 P C 0.818 178.147 177.300 0.048 0.000 1.249 168 P CA -0.451 62.635 63.100 -0.022 0.000 0.810 168 P CB 0.892 32.573 31.700 -0.031 0.000 1.008 169 V N -0.604 119.348 119.914 0.063 0.000 3.052 169 V HA 0.227 4.111 4.120 -0.393 0.000 0.254 169 V C 0.850 177.012 176.094 0.114 0.000 1.100 169 V CA 0.840 63.243 62.300 0.171 0.000 1.112 169 V CB -0.719 31.272 31.823 0.279 0.000 0.738 169 V HN 0.311 nan 8.190 nan 0.000 0.469 170 I N 1.088 121.641 120.570 -0.029 0.000 2.571 170 I HA 0.620 4.554 4.170 -0.393 0.000 0.289 170 I C -1.771 174.393 176.117 0.079 0.000 1.115 170 I CA -0.348 60.934 61.300 -0.030 0.000 1.045 170 I CB 2.148 39.992 38.000 -0.259 0.000 1.238 170 I HN 0.012 nan 8.210 nan 0.000 0.424 171 D N 5.261 125.697 120.400 0.060 0.000 2.736 171 D HA 0.344 4.749 4.640 -0.393 0.000 0.243 171 D C -0.081 176.176 176.300 -0.071 0.000 1.304 171 D CA -0.395 53.626 54.000 0.034 0.000 0.934 171 D CB 2.301 43.111 40.800 0.016 0.000 1.382 171 D HN 0.322 nan 8.370 nan 0.000 0.571 172 V N 0.547 120.317 119.914 -0.240 0.000 3.214 172 V HA 0.343 4.228 4.120 -0.393 0.000 0.330 172 V C 0.474 176.446 176.094 -0.203 0.000 1.403 172 V CA 0.037 62.158 62.300 -0.298 0.000 1.143 172 V CB -0.430 31.049 31.823 -0.573 0.000 1.098 172 V HN 0.556 nan 8.190 nan 0.000 0.463 173 S N 0.113 115.740 115.700 -0.122 0.000 3.682 173 S HA -0.174 4.061 4.470 -0.393 0.000 0.354 173 S C 0.323 174.877 174.600 -0.078 0.000 1.034 173 S CA 1.168 59.322 58.200 -0.076 0.000 1.084 173 S CB -1.652 61.512 63.200 -0.061 0.000 0.903 173 S HN 1.256 nan 8.310 nan 0.000 0.470 174 S N -0.177 115.477 115.700 -0.077 0.000 2.542 174 S HA 0.661 4.895 4.470 -0.393 0.000 0.293 174 S C 0.457 175.072 174.600 0.025 0.000 1.089 174 S CA -0.735 57.438 58.200 -0.045 0.000 0.961 174 S CB 1.375 64.518 63.200 -0.095 0.000 1.062 174 S HN 0.267 nan 8.310 nan 0.000 0.483 175 N N 1.823 120.535 118.700 0.019 0.000 2.336 175 N HA 0.172 4.676 4.740 -0.393 0.000 0.189 175 N C -0.578 174.968 175.510 0.059 0.000 1.113 175 N CA 0.451 53.517 53.050 0.027 0.000 0.858 175 N CB 0.233 38.722 38.487 0.004 0.000 0.970 175 N HN 0.529 nan 8.380 nan 0.000 0.471 176 Q N 0.188 120.042 119.800 0.091 0.000 3.244 176 Q HA 0.181 4.285 4.340 -0.393 0.000 0.249 176 Q C -1.619 174.512 176.000 0.219 0.000 0.951 176 Q CA -0.291 55.577 55.803 0.109 0.000 0.740 176 Q CB 0.484 29.242 28.738 0.034 0.000 1.334 176 Q HN 0.176 nan 8.270 nan 0.000 0.448 177 F N 2.627 122.595 119.950 0.029 0.000 3.483 177 F HA 0.369 4.661 4.527 -0.392 0.000 0.393 177 F C -1.325 174.501 175.800 0.043 0.000 1.240 177 F CA -0.343 57.675 58.000 0.030 0.000 1.320 177 F CB 0.601 39.602 39.000 0.002 0.000 1.965 177 F HN 0.286 nan 8.300 nan 0.000 0.715 178 R N 2.655 123.077 120.500 -0.130 0.000 2.733 178 R HA 0.634 4.739 4.340 -0.393 0.000 0.272 178 R C -1.705 174.563 176.300 -0.054 0.000 1.029 178 R CA -0.870 55.179 56.100 -0.085 0.000 0.888 178 R CB 1.423 31.813 30.300 0.149 0.000 1.251 178 R HN 0.233 nan 8.270 nan 0.000 0.464 179 D N -0.191 120.210 120.400 0.002 0.000 3.061 179 D HA -0.065 4.340 4.640 -0.393 0.000 0.252 179 D C -2.480 173.808 176.300 -0.020 0.000 1.080 179 D CA 0.316 54.338 54.000 0.037 0.000 0.871 179 D CB -0.850 39.991 40.800 0.069 0.000 1.018 179 D HN 0.501 nan 8.370 nan 0.000 0.425 180 P HA 0.257 nan 4.420 nan 0.000 0.282 180 P C -0.211 177.081 177.300 -0.013 0.000 1.262 180 P CA -0.264 62.771 63.100 -0.108 0.000 0.773 180 P CB 1.033 32.589 31.700 -0.240 0.000 0.879 181 K N 3.855 124.272 120.400 0.030 0.000 2.339 181 K HA 0.436 4.520 4.320 -0.393 0.000 0.264 181 K C -1.263 175.445 176.600 0.181 0.000 0.986 181 K CA -1.009 55.341 56.287 0.105 0.000 0.866 181 K CB 0.647 33.219 32.500 0.120 0.000 1.103 181 K HN 0.270 nan 8.250 nan 0.000 0.441 182 V N 5.623 125.667 119.914 0.216 0.000 2.715 182 V HA 0.921 4.806 4.120 -0.393 0.000 0.310 182 V C -1.503 174.899 176.094 0.514 0.000 1.054 182 V CA -0.573 61.898 62.300 0.285 0.000 0.928 182 V CB 0.886 32.839 31.823 0.217 0.000 1.007 182 V HN 0.723 nan 8.190 nan 0.000 0.437 183 F N 3.428 123.674 119.950 0.493 0.000 2.654 183 F HA 0.537 4.828 4.527 -0.392 0.000 0.308 183 F C -1.077 175.127 175.800 0.674 0.000 1.108 183 F CA -1.439 56.905 58.000 0.573 0.000 0.957 183 F CB 1.260 40.511 39.000 0.418 0.000 1.309 183 F HN 0.859 nan 8.300 nan 0.000 0.446 184 W N 4.136 125.746 121.300 0.517 0.000 2.303 184 W HA 0.256 4.680 4.660 -0.394 0.000 0.318 184 W C -1.336 175.381 176.519 0.329 0.000 1.362 184 W CA 0.046 57.379 57.345 -0.021 0.000 1.234 184 W CB 0.656 29.880 29.460 -0.394 0.000 1.248 184 W HN 0.852 nan 8.180 nan 0.000 0.546 185 H N 5.407 124.044 119.070 -0.721 0.000 2.661 185 H HA 0.134 4.454 4.556 -0.393 0.000 0.290 185 H C 1.191 176.092 175.328 -0.712 0.000 1.082 185 H CA -0.073 55.781 56.048 -0.323 0.000 1.234 185 H CB 0.865 30.555 29.762 -0.120 0.000 1.387 185 H HN 0.461 nan 8.280 nan 0.000 0.476 186 E N 2.984 122.850 120.200 -0.556 0.000 2.038 186 E HA -0.180 3.934 4.350 -0.393 0.000 0.195 186 E C 0.890 177.271 176.600 -0.365 0.000 1.000 186 E CA 1.315 57.554 56.400 -0.268 0.000 0.803 186 E CB 0.224 29.948 29.700 0.041 0.000 0.750 186 E HN 0.779 nan 8.360 nan 0.000 0.448 187 D N 0.138 120.216 120.400 -0.538 0.000 2.182 187 D HA -0.112 4.292 4.640 -0.393 0.000 0.201 187 D C 1.791 177.955 176.300 -0.226 0.000 0.986 187 D CA 1.514 55.321 54.000 -0.321 0.000 0.847 187 D CB -0.148 40.527 40.800 -0.209 0.000 0.942 187 D HN 0.171 nan 8.370 nan 0.000 0.467 188 S N -0.650 114.864 115.700 -0.310 0.000 2.568 188 S HA -0.001 4.233 4.470 -0.393 0.000 0.232 188 S C 0.480 174.966 174.600 -0.191 0.000 0.975 188 S CA -0.397 57.751 58.200 -0.087 0.000 0.949 188 S CB -0.248 62.945 63.200 -0.012 0.000 0.829 188 S HN 0.195 nan 8.310 nan 0.000 0.479 189 N N 2.217 120.721 118.700 -0.327 0.000 2.669 189 N HA -0.197 4.307 4.740 -0.393 0.000 0.266 189 N C -0.554 174.633 175.510 -0.538 0.000 1.024 189 N CA 1.189 54.037 53.050 -0.337 0.000 0.766 189 N CB -0.834 37.639 38.487 -0.023 0.000 0.898 189 N HN 0.979 nan 8.380 nan 0.000 0.548 190 Q N -0.627 118.507 119.800 -1.110 0.000 2.633 190 Q HA 0.312 4.416 4.340 -0.393 0.000 0.289 190 Q C -1.431 174.008 176.000 -0.935 0.000 0.940 190 Q CA -0.999 54.315 55.803 -0.814 0.000 0.785 190 Q CB 0.497 29.030 28.738 -0.342 0.000 1.467 190 Q HN 0.216 nan 8.270 nan 0.000 0.401 191 W N 1.306 122.461 121.300 -0.243 0.000 2.238 191 W HA 0.452 4.875 4.660 -0.394 0.000 0.321 191 W C -0.176 176.286 176.519 -0.094 0.000 1.293 191 W CA -0.439 56.880 57.345 -0.043 0.000 1.204 191 W CB 0.752 30.250 29.460 0.063 0.000 1.167 191 W HN 0.365 nan 8.180 nan 0.000 0.553 192 I N 4.625 125.203 120.570 0.012 0.000 2.441 192 I HA 0.365 4.299 4.170 -0.393 0.000 0.295 192 I C -0.245 175.877 176.117 0.008 0.000 0.994 192 I CA -1.403 59.802 61.300 -0.159 0.000 1.144 192 I CB 1.472 38.959 38.000 -0.855 0.000 1.314 192 I HN 0.423 nan 8.210 nan 0.000 0.445 193 M N 7.458 127.159 119.600 0.169 0.000 2.243 193 M HA 0.490 4.734 4.480 -0.393 0.000 0.324 193 M C -1.149 175.195 176.300 0.074 0.000 1.031 193 M CA -0.800 54.491 55.300 -0.014 0.000 0.949 193 M CB 1.652 33.959 32.600 -0.488 0.000 1.615 193 M HN 0.399 nan 8.290 nan 0.000 0.430 194 V N 3.912 123.875 119.914 0.081 0.000 2.427 194 V HA 0.883 4.768 4.120 -0.393 0.000 0.286 194 V C -0.915 175.223 176.094 0.074 0.000 1.034 194 V CA -0.553 61.810 62.300 0.105 0.000 0.893 194 V CB 1.255 33.135 31.823 0.095 0.000 0.982 194 V HN 0.744 nan 8.190 nan 0.000 0.452 195 V N 3.871 123.854 119.914 0.115 0.000 3.147 195 V HA 0.832 4.716 4.120 -0.393 0.000 0.306 195 V C -0.226 175.958 176.094 0.151 0.000 1.209 195 V CA 0.336 62.660 62.300 0.040 0.000 1.023 195 V CB 2.973 34.707 31.823 -0.149 0.000 1.059 195 V HN 1.463 nan 8.190 nan 0.000 0.435 196 S N 3.522 119.298 115.700 0.126 0.000 2.472 196 S HA 0.659 4.894 4.470 -0.393 0.000 0.303 196 S C -0.730 174.033 174.600 0.271 0.000 1.099 196 S CA -0.730 57.613 58.200 0.238 0.000 1.077 196 S CB 1.637 65.000 63.200 0.273 0.000 1.031 196 S HN 0.686 nan 8.310 nan 0.000 0.487 197 K N 2.465 123.034 120.400 0.282 0.000 2.180 197 K HA 0.411 4.495 4.320 -0.393 0.000 0.250 197 K C 0.925 177.559 176.600 0.055 0.000 1.135 197 K CA -0.301 56.118 56.287 0.220 0.000 1.037 197 K CB -0.728 31.858 32.500 0.144 0.000 1.624 197 K HN 0.669 nan 8.250 nan 0.000 0.382 198 S N 2.203 117.951 115.700 0.080 0.000 2.359 198 S HA -0.215 4.019 4.470 -0.393 0.000 0.223 198 S C 1.229 175.701 174.600 -0.213 0.000 1.039 198 S CA 1.391 59.608 58.200 0.028 0.000 1.042 198 S CB -0.129 63.115 63.200 0.072 0.000 0.915 198 S HN 0.684 nan 8.310 nan 0.000 0.439 199 Q N 0.026 119.680 119.800 -0.244 0.000 2.425 199 Q HA 0.112 4.216 4.340 -0.393 0.000 0.204 199 Q C 1.308 176.959 176.000 -0.582 0.000 0.933 199 Q CA 0.257 55.800 55.803 -0.435 0.000 0.939 199 Q CB 0.121 28.719 28.738 -0.234 0.000 1.044 199 Q HN 0.604 nan 8.270 nan 0.000 0.513 200 E N -0.255 119.694 120.200 -0.418 0.000 2.489 200 E HA -0.042 4.072 4.350 -0.393 0.000 0.193 200 E C -0.787 175.568 176.600 -0.408 0.000 1.057 200 E CA -0.144 56.063 56.400 -0.323 0.000 0.866 200 E CB 0.199 29.805 29.700 -0.157 0.000 0.916 200 E HN 0.305 nan 8.360 nan 0.000 0.500 201 Y N 0.617 120.546 120.300 -0.619 0.000 3.234 201 Y HA -0.283 4.031 4.550 -0.394 0.000 0.207 201 Y C -0.347 174.844 175.900 -1.182 0.000 1.316 201 Y CA 0.411 57.645 58.100 -1.443 0.000 1.309 201 Y CB -1.487 36.116 38.460 -1.428 0.000 1.408 201 Y HN -0.055 nan 8.280 nan 0.000 0.544 202 K N 0.820 120.936 120.400 -0.473 0.000 2.443 202 K HA 0.600 4.684 4.320 -0.393 0.000 0.252 202 K C -0.410 176.376 176.600 0.310 0.000 0.933 202 K CA -0.951 55.334 56.287 -0.004 0.000 0.792 202 K CB 2.474 34.978 32.500 0.008 0.000 1.185 202 K HN 0.129 nan 8.250 nan 0.000 0.425 203 I N 3.056 123.893 120.570 0.445 0.000 2.352 203 I HA 0.076 4.010 4.170 -0.393 0.000 0.290 203 I C 0.336 176.610 176.117 0.262 0.000 1.036 203 I CA -0.229 61.288 61.300 0.361 0.000 1.336 203 I CB 0.739 38.944 38.000 0.343 0.000 1.407 203 I HN 0.246 nan 8.210 nan 0.000 0.497 204 Q N 6.945 126.887 119.800 0.238 0.000 2.271 204 Q HA 0.573 4.677 4.340 -0.393 0.000 0.258 204 Q C -0.833 175.250 176.000 0.140 0.000 0.936 204 Q CA -0.594 55.302 55.803 0.155 0.000 0.909 204 Q CB 2.665 31.546 28.738 0.239 0.000 1.253 204 Q HN 0.572 nan 8.270 nan 0.000 0.440 205 I N 3.059 123.634 120.570 0.008 0.000 2.355 205 I HA 0.354 4.288 4.170 -0.393 0.000 0.288 205 I C -0.724 175.370 176.117 -0.037 0.000 0.999 205 I CA -0.417 60.923 61.300 0.066 0.000 1.163 205 I CB 0.482 38.552 38.000 0.117 0.000 1.316 205 I HN 0.419 nan 8.210 nan 0.000 0.454 206 F N 3.236 123.260 119.950 0.123 0.000 2.470 206 F HA 0.751 5.042 4.527 -0.393 0.000 0.329 206 F C 0.892 176.895 175.800 0.338 0.000 1.072 206 F CA -0.561 57.579 58.000 0.233 0.000 0.989 206 F CB 2.022 41.151 39.000 0.215 0.000 1.193 206 F HN 0.374 nan 8.300 nan 0.000 0.481 207 G N 0.171 109.295 108.800 0.540 0.000 2.481 207 G HA2 0.551 4.275 3.960 -0.393 0.000 0.315 207 G HA3 0.551 4.275 3.960 -0.393 0.000 0.315 207 G C -1.664 173.342 174.900 0.177 0.000 1.231 207 G CA -0.667 44.611 45.100 0.296 0.000 0.968 207 G HN 0.640 nan 8.290 nan 0.000 0.482 208 S N -0.763 114.841 115.700 -0.160 0.000 2.537 208 S HA 0.594 4.828 4.470 -0.393 0.000 0.270 208 S C 0.576 175.089 174.600 -0.145 0.000 1.142 208 S CA 0.336 58.252 58.200 -0.473 0.000 0.870 208 S CB 1.619 63.829 63.200 -1.649 0.000 1.112 208 S HN 1.477 nan 8.310 nan 0.000 0.466 209 A N 3.017 125.789 122.820 -0.081 0.000 2.238 209 A HA 0.331 4.415 4.320 -0.393 0.000 0.210 209 A C 1.238 178.925 177.584 0.171 0.000 1.179 209 A CA 0.488 52.579 52.037 0.090 0.000 0.827 209 A CB -0.521 18.502 19.000 0.038 0.000 0.856 209 A HN 0.851 nan 8.150 nan 0.000 0.488 210 N N -1.314 117.368 118.700 -0.031 0.000 2.360 210 N HA 0.242 4.746 4.740 -0.393 0.000 0.211 210 N C 0.264 175.573 175.510 -0.335 0.000 1.147 210 N CA 0.396 53.344 53.050 -0.170 0.000 0.866 210 N CB 0.495 38.831 38.487 -0.252 0.000 1.206 210 N HN 0.153 nan 8.380 nan 0.000 0.478 211 L N -0.466 120.436 121.223 -0.536 0.000 5.051 211 L HA -0.362 3.742 4.340 -0.393 0.000 0.432 211 L C 0.899 177.632 176.870 -0.229 0.000 1.055 211 L CA 1.121 55.669 54.840 -0.485 0.000 1.095 211 L CB -0.991 40.792 42.059 -0.460 0.000 1.957 211 L HN 0.167 nan 8.230 nan 0.000 0.727 212 K N -0.704 119.478 120.400 -0.363 0.000 2.344 212 K HA 0.229 4.313 4.320 -0.393 0.000 0.200 212 K C 0.554 177.130 176.600 -0.040 0.000 1.132 212 K CA 0.285 56.487 56.287 -0.142 0.000 0.935 212 K CB 0.386 32.753 32.500 -0.221 0.000 1.089 212 K HN 0.189 nan 8.250 nan 0.000 0.496 213 N N 0.507 119.064 118.700 -0.239 0.000 2.417 213 N HA 0.176 4.680 4.740 -0.393 0.000 0.274 213 N C -1.409 173.961 175.510 -0.234 0.000 0.987 213 N CA -0.201 52.789 53.050 -0.100 0.000 0.912 213 N CB 1.056 39.513 38.487 -0.050 0.000 1.177 213 N HN 0.017 nan 8.380 nan 0.000 0.490 214 W N 0.978 122.325 121.300 0.078 0.000 2.689 214 W HA 0.580 5.004 4.660 -0.393 0.000 0.340 214 W C -0.320 176.344 176.519 0.241 0.000 1.060 214 W CA -0.737 56.693 57.345 0.143 0.000 1.218 214 W CB 1.351 30.844 29.460 0.056 0.000 1.410 214 W HN -0.015 nan 8.180 nan 0.000 0.528 215 V N 3.733 123.976 119.914 0.548 0.000 2.588 215 V HA 0.309 4.193 4.120 -0.393 0.000 0.304 215 V C -0.712 175.613 176.094 0.384 0.000 1.042 215 V CA -1.186 61.353 62.300 0.399 0.000 0.877 215 V CB 1.552 33.515 31.823 0.233 0.000 0.996 215 V HN 0.368 nan 8.190 nan 0.000 0.425 216 L N 4.691 126.006 121.223 0.154 0.000 2.361 216 L HA 0.393 4.497 4.340 -0.393 0.000 0.278 216 L C 0.949 177.751 176.870 -0.113 0.000 1.113 216 L CA 0.803 55.437 54.840 -0.343 0.000 0.849 216 L CB 0.372 42.174 42.059 -0.428 0.000 1.155 216 L HN 0.613 nan 8.230 nan 0.000 0.452 217 N N 1.537 120.182 118.700 -0.091 0.000 2.436 217 N HA 0.114 4.618 4.740 -0.393 0.000 0.178 217 N C -0.255 175.288 175.510 0.056 0.000 1.026 217 N CA 0.874 53.969 53.050 0.075 0.000 0.880 217 N CB 0.284 38.884 38.487 0.188 0.000 1.061 217 N HN 0.739 nan 8.380 nan 0.000 0.434 218 S N -0.796 114.908 115.700 0.006 0.000 2.587 218 S HA 0.488 4.722 4.470 -0.393 0.000 0.269 218 S C -1.695 172.931 174.600 0.042 0.000 1.154 218 S CA -1.052 57.178 58.200 0.050 0.000 0.824 218 S CB 1.963 65.241 63.200 0.130 0.000 1.118 218 S HN -0.058 nan 8.310 nan 0.000 0.462 219 N N 0.389 119.141 118.700 0.086 0.000 2.321 219 N HA 0.652 5.156 4.740 -0.393 0.000 0.299 219 N C -1.963 173.682 175.510 0.225 0.000 1.048 219 N CA -0.352 52.770 53.050 0.121 0.000 0.836 219 N CB 1.651 40.175 38.487 0.061 0.000 1.269 219 N HN 0.651 nan 8.380 nan 0.000 0.486 220 F N 0.819 120.825 119.950 0.094 0.000 2.507 220 F HA 0.520 4.811 4.527 -0.393 0.000 0.325 220 F C -0.730 175.152 175.800 0.136 0.000 1.116 220 F CA -0.433 57.629 58.000 0.103 0.000 0.930 220 F CB 1.272 40.337 39.000 0.109 0.000 1.146 220 F HN 0.229 nan 8.300 nan 0.000 0.447 221 S N 4.010 119.357 115.700 -0.589 0.000 2.672 221 S HA 0.727 4.961 4.470 -0.393 0.000 0.291 221 S C -0.947 173.358 174.600 -0.491 0.000 1.145 221 S CA -0.655 57.345 58.200 -0.334 0.000 1.013 221 S CB 1.650 64.764 63.200 -0.142 0.000 1.017 221 S HN 0.763 nan 8.310 nan 0.000 0.487 222 S N 1.721 117.309 115.700 -0.186 0.000 2.683 222 S HA 0.841 5.076 4.470 -0.393 0.000 0.269 222 S C 0.117 175.012 174.600 0.493 0.000 1.165 222 S CA 0.432 58.634 58.200 0.002 0.000 0.840 222 S CB 0.728 63.672 63.200 -0.428 0.000 1.169 222 S HN 1.954 nan 8.310 nan 0.000 0.490 223 G N 0.773 109.883 108.800 0.517 0.000 2.562 223 G HA2 -0.238 3.486 3.960 -0.393 0.000 0.250 223 G HA3 -0.238 3.486 3.960 -0.393 0.000 0.250 223 G C -0.849 174.288 174.900 0.395 0.000 1.269 223 G CA 0.330 45.750 45.100 0.533 0.000 0.919 223 G HN 1.298 nan 8.290 nan 0.000 0.574 224 Y N 1.062 121.525 120.300 0.272 0.000 2.404 224 Y HA 0.543 4.858 4.550 -0.392 0.000 0.344 224 Y C 1.386 177.582 175.900 0.493 0.000 0.995 224 Y CA -0.066 58.213 58.100 0.298 0.000 1.201 224 Y CB 0.447 39.119 38.460 0.352 0.000 1.151 224 Y HN 0.474 nan 8.280 nan 0.000 0.517 225 Y N 3.458 123.759 120.300 0.003 0.000 2.243 225 Y HA 0.077 4.391 4.550 -0.393 0.000 0.293 225 Y C 1.914 177.994 175.900 0.299 0.000 1.124 225 Y CA 0.447 58.602 58.100 0.092 0.000 1.159 225 Y CB -0.811 37.318 38.460 -0.552 0.000 1.008 225 Y HN 0.846 nan 8.280 nan 0.000 0.527 226 G N 0.700 109.701 108.800 0.336 0.000 2.581 226 G HA2 -0.493 3.231 3.960 -0.393 0.000 0.291 226 G HA3 -0.493 3.231 3.960 -0.393 0.000 0.291 226 G C 0.972 176.123 174.900 0.418 0.000 1.277 226 G CA 0.836 46.171 45.100 0.391 0.000 0.959 226 G HN 0.424 nan 8.290 nan 0.000 0.554 227 N N -0.397 118.522 118.700 0.365 0.000 2.250 227 N HA 0.107 4.611 4.740 -0.393 0.000 0.181 227 N C 0.919 176.603 175.510 0.289 0.000 1.017 227 N CA 2.131 55.362 53.050 0.301 0.000 0.866 227 N CB 0.126 38.706 38.487 0.155 0.000 0.985 227 N HN 0.704 nan 8.380 nan 0.000 0.429 228 Q N -1.153 118.844 119.800 0.328 0.000 2.391 228 Q HA 0.210 4.315 4.340 -0.393 0.000 0.279 228 Q C -1.716 174.554 176.000 0.450 0.000 1.028 228 Q CA -0.769 55.154 55.803 0.200 0.000 0.836 228 Q CB 1.477 30.288 28.738 0.123 0.000 1.414 228 Q HN 0.109 nan 8.270 nan 0.000 0.397 229 Y N 1.358 121.746 120.300 0.148 0.000 2.335 229 Y HA 0.325 4.640 4.550 -0.392 0.000 0.331 229 Y C 0.276 176.288 175.900 0.187 0.000 1.094 229 Y CA -0.176 58.048 58.100 0.208 0.000 1.253 229 Y CB 0.937 39.493 38.460 0.161 0.000 1.203 229 Y HN 0.485 nan 8.280 nan 0.000 0.508 230 E N 0.054 120.449 120.200 0.325 0.000 2.429 230 E HA 0.347 4.461 4.350 -0.393 0.000 0.276 230 E C -0.917 175.774 176.600 0.151 0.000 0.953 230 E CA -1.026 55.518 56.400 0.240 0.000 0.787 230 E CB 1.943 31.819 29.700 0.294 0.000 1.307 230 E HN 0.620 nan 8.360 nan 0.000 0.458 231 C N 2.120 121.480 119.300 0.099 0.000 2.862 231 C HA -0.108 4.117 4.460 -0.393 0.000 0.237 231 C C -1.854 173.187 174.990 0.085 0.000 1.339 231 C CA -0.488 58.558 59.018 0.046 0.000 2.397 231 C CB -2.559 25.152 27.740 -0.048 0.000 1.520 231 C HN 0.427 nan 8.230 nan 0.000 0.423 232 P HA 0.551 nan 4.420 nan 0.000 0.276 232 P C 0.256 177.645 177.300 0.149 0.000 1.252 232 P CA 0.666 63.855 63.100 0.148 0.000 0.802 232 P CB 1.111 32.895 31.700 0.139 0.000 1.035 233 G N 0.176 109.107 108.800 0.219 0.000 2.696 233 G HA2 0.570 4.295 3.960 -0.393 0.000 0.295 233 G HA3 0.570 4.295 3.960 -0.393 0.000 0.295 233 G C -2.295 172.730 174.900 0.208 0.000 1.398 233 G CA -0.501 44.735 45.100 0.227 0.000 0.920 233 G HN 0.546 nan 8.290 nan 0.000 0.492 234 L N 1.568 122.869 121.223 0.131 0.000 2.476 234 L HA 0.881 4.985 4.340 -0.393 0.000 0.269 234 L C -1.204 175.614 176.870 -0.087 0.000 0.965 234 L CA -0.747 54.081 54.840 -0.020 0.000 0.845 234 L CB 1.480 43.439 42.059 -0.166 0.000 1.259 234 L HN 0.665 nan 8.230 nan 0.000 0.403 235 I N 2.518 123.106 120.570 0.031 0.000 2.842 235 I HA 0.331 4.266 4.170 -0.393 0.000 0.297 235 I C -0.921 174.987 176.117 -0.348 0.000 1.380 235 I CA -0.481 60.716 61.300 -0.172 0.000 1.018 235 I CB 2.401 40.376 38.000 -0.041 0.000 1.311 235 I HN 0.663 nan 8.210 nan 0.000 0.439 236 E N 4.817 124.531 120.200 -0.810 0.000 2.299 236 E HA 0.298 4.412 4.350 -0.393 0.000 0.272 236 E C -1.128 175.287 176.600 -0.308 0.000 1.043 236 E CA -0.205 55.715 56.400 -0.800 0.000 0.895 236 E CB 1.306 30.481 29.700 -0.876 0.000 1.011 236 E HN 0.236 nan 8.360 nan 0.000 0.432 237 V N 6.612 126.416 119.914 -0.184 0.000 2.398 237 V HA 0.274 4.158 4.120 -0.393 0.000 0.286 237 V C -2.008 174.060 176.094 -0.043 0.000 1.026 237 V CA -2.143 60.132 62.300 -0.041 0.000 0.868 237 V CB 1.327 33.170 31.823 0.032 0.000 0.982 237 V HN 0.618 nan 8.190 nan 0.000 0.443 238 P HA 0.248 nan 4.420 nan 0.000 0.271 238 P C -0.468 176.833 177.300 0.001 0.000 1.216 238 P CA 0.018 63.115 63.100 -0.005 0.000 0.771 238 P CB 0.864 32.574 31.700 0.017 0.000 0.864 239 I N 2.474 123.045 120.570 0.002 0.000 2.441 239 I HA 0.114 4.048 4.170 -0.393 0.000 0.287 239 I C 1.257 177.388 176.117 0.022 0.000 1.049 239 I CA -0.411 60.892 61.300 0.005 0.000 1.381 239 I CB 0.338 38.353 38.000 0.025 0.000 1.409 239 I HN 0.246 nan 8.210 nan 0.000 0.523 240 E N 6.157 126.369 120.200 0.019 0.000 2.413 240 E HA 0.001 4.115 4.350 -0.393 0.000 0.263 240 E C -0.039 176.587 176.600 0.043 0.000 1.015 240 E CA 0.061 56.476 56.400 0.025 0.000 0.916 240 E CB 0.191 29.901 29.700 0.018 0.000 0.947 240 E HN 0.526 nan 8.360 nan 0.000 0.440 241 N N 0.896 119.615 118.700 0.032 0.000 2.725 241 N HA -0.193 4.311 4.740 -0.393 0.000 0.249 241 N C -0.958 174.578 175.510 0.044 0.000 1.103 241 N CA 1.272 54.343 53.050 0.035 0.000 0.707 241 N CB -1.090 37.420 38.487 0.038 0.000 1.043 241 N HN 0.368 nan 8.380 nan 0.000 0.553 242 S N -1.192 114.534 115.700 0.043 0.000 2.579 242 S HA 0.422 4.656 4.470 -0.393 0.000 0.272 242 S C -0.022 174.602 174.600 0.040 0.000 1.141 242 S CA -0.656 57.572 58.200 0.048 0.000 0.843 242 S CB 1.468 64.708 63.200 0.066 0.000 1.122 242 S HN 0.025 nan 8.310 nan 0.000 0.468 243 D N 1.030 121.454 120.400 0.040 0.000 2.346 243 D HA 0.129 4.533 4.640 -0.393 0.000 0.206 243 D C 0.132 176.454 176.300 0.035 0.000 1.001 243 D CA 0.550 54.572 54.000 0.037 0.000 0.871 243 D CB 0.278 41.100 40.800 0.037 0.000 0.943 243 D HN 0.292 nan 8.370 nan 0.000 0.518 244 K N 1.105 121.531 120.400 0.042 0.000 2.107 244 K HA 0.356 4.440 4.320 -0.393 0.000 0.251 244 K C 0.674 177.287 176.600 0.022 0.000 1.012 244 K CA -0.171 56.141 56.287 0.043 0.000 0.920 244 K CB 1.417 33.956 32.500 0.064 0.000 1.033 244 K HN 0.049 nan 8.250 nan 0.000 0.478 245 S N -0.226 115.476 115.700 0.004 0.000 2.651 245 S HA 0.597 4.831 4.470 -0.393 0.000 0.279 245 S C -0.872 173.714 174.600 -0.024 0.000 1.148 245 S CA -0.989 57.187 58.200 -0.040 0.000 0.837 245 S CB 2.342 65.469 63.200 -0.122 0.000 1.138 245 S HN 0.299 nan 8.310 nan 0.000 0.478 246 K N 0.069 120.447 120.400 -0.037 0.000 2.267 246 K HA 0.362 4.447 4.320 -0.393 0.000 0.246 246 K C -1.499 175.088 176.600 -0.022 0.000 0.954 246 K CA -0.341 55.973 56.287 0.046 0.000 0.824 246 K CB 1.402 33.960 32.500 0.098 0.000 1.167 246 K HN 0.775 nan 8.250 nan 0.000 0.431 247 W N 1.298 122.697 121.300 0.165 0.000 2.311 247 W HA 0.235 4.660 4.660 -0.392 0.000 0.310 247 W C 0.020 176.641 176.519 0.169 0.000 1.274 247 W CA -0.402 57.046 57.345 0.172 0.000 1.215 247 W CB 0.781 30.424 29.460 0.305 0.000 1.227 247 W HN -0.004 nan 8.180 nan 0.000 0.523 248 V N 5.885 125.899 119.914 0.166 0.000 2.409 248 V HA 0.278 4.162 4.120 -0.393 0.000 0.291 248 V C -0.138 175.763 176.094 -0.322 0.000 1.020 248 V CA -1.148 61.103 62.300 -0.082 0.000 0.848 248 V CB 1.352 32.990 31.823 -0.310 0.000 0.990 248 V HN 0.436 nan 8.190 nan 0.000 0.430 249 M N 6.181 125.502 119.600 -0.464 0.000 2.108 249 M HA 0.582 4.826 4.480 -0.393 0.000 0.354 249 M C -1.203 174.959 176.300 -0.230 0.000 1.229 249 M CA 0.179 55.178 55.300 -0.502 0.000 1.081 249 M CB 0.303 32.312 32.600 -0.985 0.000 1.606 249 M HN 0.424 nan 8.290 nan 0.000 0.467 250 F N 5.208 125.220 119.950 0.105 0.000 2.432 250 F HA 0.746 5.040 4.527 -0.390 0.000 0.329 250 F C -0.685 175.228 175.800 0.187 0.000 1.076 250 F CA -0.693 57.418 58.000 0.185 0.000 1.018 250 F CB 1.476 40.616 39.000 0.232 0.000 1.201 250 F HN 0.505 nan 8.300 nan 0.000 0.489 251 L N 2.254 123.715 121.223 0.397 0.000 2.588 251 L HA 0.751 4.855 4.340 -0.393 0.000 0.263 251 L C -1.342 175.679 176.870 0.251 0.000 0.935 251 L CA -0.447 54.548 54.840 0.258 0.000 0.891 251 L CB 1.497 43.693 42.059 0.227 0.000 1.318 251 L HN 0.655 nan 8.230 nan 0.000 0.409 252 A N 5.516 128.453 122.820 0.195 0.000 2.306 252 A HA 0.863 4.947 4.320 -0.393 0.000 0.314 252 A C -0.590 177.232 177.584 0.397 0.000 1.164 252 A CA -0.423 51.752 52.037 0.230 0.000 0.822 252 A CB 0.602 19.497 19.000 -0.175 0.000 1.130 252 A HN 0.954 nan 8.150 nan 0.000 0.496 253 I N -0.275 120.647 120.570 0.587 0.000 2.647 253 I HA 0.863 4.797 4.170 -0.393 0.000 0.295 253 I C -0.905 175.491 176.117 0.465 0.000 1.078 253 I CA -0.853 60.764 61.300 0.527 0.000 1.048 253 I CB 2.473 40.775 38.000 0.505 0.000 1.239 253 I HN 0.585 nan 8.210 nan 0.000 0.421 254 N N 5.401 124.304 118.700 0.338 0.000 2.647 254 N HA 0.529 5.033 4.740 -0.393 0.000 0.259 254 N C -3.024 172.538 175.510 0.087 0.000 1.098 254 N CA -0.895 52.233 53.050 0.131 0.000 0.984 254 N CB 2.825 41.306 38.487 -0.010 0.000 1.683 254 N HN 0.399 nan 8.380 nan 0.000 0.501 255 P HA 0.337 nan 4.420 nan 0.000 0.312 255 P C 0.316 177.692 177.300 0.126 0.000 1.307 255 P CA 0.762 63.879 63.100 0.029 0.000 0.738 255 P CB 0.304 31.988 31.700 -0.027 0.000 1.422 256 G N -2.107 106.768 108.800 0.125 0.000 2.157 256 G HA2 -0.216 3.508 3.960 -0.393 0.000 0.239 256 G HA3 -0.216 3.508 3.960 -0.393 0.000 0.239 256 G C 0.346 175.428 174.900 0.302 0.000 0.982 256 G CA 0.241 45.474 45.100 0.222 0.000 0.650 256 G HN 0.783 nan 8.290 nan 0.000 0.527 257 S N 0.710 116.505 115.700 0.159 0.000 2.558 257 S HA 0.416 4.650 4.470 -0.393 0.000 0.288 257 S C -0.007 174.555 174.600 -0.064 0.000 1.318 257 S CA 0.048 58.259 58.200 0.019 0.000 1.056 257 S CB 1.080 64.230 63.200 -0.084 0.000 0.853 257 S HN 0.079 nan 8.310 nan 0.000 0.505 258 P HA -0.001 nan 4.420 nan 0.000 0.222 258 P C 0.698 177.914 177.300 -0.139 0.000 1.147 258 P CA 0.685 63.641 63.100 -0.240 0.000 0.790 258 P CB 0.047 31.487 31.700 -0.433 0.000 0.780 259 L N -1.916 119.190 121.223 -0.194 0.000 2.591 259 L HA 0.358 4.462 4.340 -0.393 0.000 0.228 259 L C 0.981 177.837 176.870 -0.022 0.000 1.133 259 L CA 0.526 55.302 54.840 -0.106 0.000 0.880 259 L CB -1.066 40.903 42.059 -0.151 0.000 1.033 259 L HN 0.006 nan 8.230 nan 0.000 0.450 260 G N -1.479 107.316 108.800 -0.007 0.000 3.322 260 G HA2 0.378 4.103 3.960 -0.393 0.000 0.686 260 G HA3 0.378 4.103 3.960 -0.393 0.000 0.686 260 G C 0.386 175.280 174.900 -0.010 0.000 1.015 260 G CA -0.448 44.680 45.100 0.047 0.000 0.826 260 G HN 0.710 nan 8.290 nan 0.000 0.538 261 G N 1.175 109.954 108.800 -0.035 0.000 2.596 261 G HA2 0.301 4.025 3.960 -0.393 0.000 0.258 261 G HA3 0.301 4.025 3.960 -0.393 0.000 0.258 261 G C 0.687 175.529 174.900 -0.097 0.000 1.207 261 G CA 1.079 46.122 45.100 -0.094 0.000 0.954 261 G HN 2.755 nan 8.290 nan 0.000 0.551 262 S N -0.037 115.546 115.700 -0.195 0.000 2.501 262 S HA 0.845 5.079 4.470 -0.393 0.000 0.301 262 S C -0.414 174.123 174.600 -0.104 0.000 1.096 262 S CA 0.065 58.057 58.200 -0.347 0.000 1.063 262 S CB 2.393 65.048 63.200 -0.908 0.000 1.042 262 S HN 1.556 nan 8.310 nan 0.000 0.494 263 I N 1.188 121.874 120.570 0.192 0.000 2.947 263 I HA 0.392 4.326 4.170 -0.393 0.000 0.301 263 I C -1.770 174.657 176.117 0.518 0.000 1.453 263 I CA -0.642 60.834 61.300 0.294 0.000 0.984 263 I CB 2.165 40.128 38.000 -0.062 0.000 1.333 263 I HN 0.680 nan 8.210 nan 0.000 0.475 264 N N 4.910 123.895 118.700 0.476 0.000 2.399 264 N HA 0.435 4.939 4.740 -0.393 0.000 0.295 264 N C -1.604 174.218 175.510 0.521 0.000 1.048 264 N CA -0.397 52.931 53.050 0.463 0.000 0.886 264 N CB 1.934 40.686 38.487 0.441 0.000 1.185 264 N HN 0.548 nan 8.380 nan 0.000 0.487 265 Q N 1.290 121.338 119.800 0.413 0.000 2.552 265 Q HA 0.545 4.649 4.340 -0.393 0.000 0.289 265 Q C -1.471 174.572 176.000 0.071 0.000 1.097 265 Q CA -0.877 55.034 55.803 0.181 0.000 0.812 265 Q CB 2.152 30.849 28.738 -0.068 0.000 1.460 265 Q HN 0.606 nan 8.270 nan 0.000 0.452 266 Y N -1.771 118.276 120.300 -0.422 0.000 2.615 266 Y HA 0.806 5.121 4.550 -0.391 0.000 0.341 266 Y C -1.931 173.484 175.900 -0.808 0.000 1.089 266 Y CA -1.466 56.314 58.100 -0.534 0.000 1.049 266 Y CB 1.582 39.781 38.460 -0.435 0.000 1.296 266 Y HN 0.553 nan 8.280 nan 0.000 0.470 267 F N 0.835 120.807 119.950 0.035 0.000 2.569 267 F HA 0.676 4.968 4.527 -0.392 0.000 0.312 267 F C -1.005 174.960 175.800 0.275 0.000 1.109 267 F CA -1.325 56.760 58.000 0.142 0.000 0.919 267 F CB 2.320 41.517 39.000 0.328 0.000 1.211 267 F HN 0.383 nan 8.300 nan 0.000 0.446 268 V N 2.054 122.235 119.914 0.445 0.000 2.417 268 V HA 0.952 4.836 4.120 -0.393 0.000 0.291 268 V C 0.125 176.413 176.094 0.323 0.000 1.024 268 V CA -0.148 62.372 62.300 0.366 0.000 0.861 268 V CB 0.940 32.908 31.823 0.242 0.000 0.985 268 V HN 1.058 nan 8.190 nan 0.000 0.436 269 G N 3.442 112.445 108.800 0.338 0.000 2.529 269 G HA2 0.449 4.173 3.960 -0.393 0.000 0.238 269 G HA3 0.449 4.173 3.960 -0.393 0.000 0.238 269 G C -2.005 173.022 174.900 0.211 0.000 1.207 269 G CA -0.235 44.908 45.100 0.071 0.000 0.928 269 G HN 0.534 nan 8.290 nan 0.000 0.495 270 D N -1.172 119.242 120.400 0.022 0.000 2.490 270 D HA 0.770 5.175 4.640 -0.393 0.000 0.232 270 D C -1.798 174.567 176.300 0.108 0.000 1.053 270 D CA -0.385 53.741 54.000 0.211 0.000 0.914 270 D CB 2.367 43.241 40.800 0.123 0.000 1.431 270 D HN 0.257 nan 8.370 nan 0.000 0.483 271 F N 1.471 121.269 119.950 -0.254 0.000 2.608 271 F HA 0.293 4.585 4.527 -0.392 0.000 0.309 271 F C -0.733 174.828 175.800 -0.399 0.000 1.103 271 F CA -0.831 56.844 58.000 -0.542 0.000 0.954 271 F CB 1.850 40.098 39.000 -1.254 0.000 1.267 271 F HN 0.257 nan 8.300 nan 0.000 0.444 272 D N 1.601 121.412 120.400 -0.981 0.000 2.503 272 D HA 0.314 4.719 4.640 -0.393 0.000 0.218 272 D C 1.299 177.179 176.300 -0.699 0.000 1.183 272 D CA 0.521 54.211 54.000 -0.518 0.000 0.827 272 D CB 0.588 41.291 40.800 -0.162 0.000 1.034 272 D HN 1.055 nan 8.370 nan 0.000 0.510 273 G N -0.329 107.253 108.800 -2.030 0.000 2.213 273 G HA2 -0.292 3.432 3.960 -0.393 0.000 0.226 273 G HA3 -0.292 3.432 3.960 -0.393 0.000 0.226 273 G C 0.461 174.497 174.900 -1.440 0.000 0.992 273 G CA 0.285 44.370 45.100 -1.691 0.000 0.632 273 G HN 0.348 nan 8.290 nan 0.000 0.511 274 F N 0.467 119.994 119.950 -0.706 0.000 2.334 274 F HA 0.350 4.641 4.527 -0.392 0.000 0.269 274 F C 1.212 176.976 175.800 -0.060 0.000 0.879 274 F CA 0.603 58.466 58.000 -0.229 0.000 1.102 274 F CB 0.193 39.090 39.000 -0.173 0.000 1.032 274 F HN 0.343 nan 8.300 nan 0.000 0.782 275 Q N 0.362 120.207 119.800 0.076 0.000 2.353 275 Q HA 0.442 4.546 4.340 -0.393 0.000 0.268 275 Q C -1.449 174.707 176.000 0.260 0.000 1.045 275 Q CA -0.814 55.092 55.803 0.172 0.000 0.811 275 Q CB 2.383 31.184 28.738 0.105 0.000 1.305 275 Q HN 0.157 nan 8.270 nan 0.000 0.447 276 F N 2.962 123.008 119.950 0.160 0.000 2.411 276 F HA 0.545 4.837 4.527 -0.392 0.000 0.350 276 F C -1.330 174.452 175.800 -0.029 0.000 1.114 276 F CA -0.737 57.282 58.000 0.030 0.000 1.135 276 F CB 1.260 40.090 39.000 -0.282 0.000 1.120 276 F HN 0.427 nan 8.300 nan 0.000 0.495 277 V N 8.651 128.138 119.914 -0.712 0.000 2.349 277 V HA 0.353 4.237 4.120 -0.393 0.000 0.284 277 V C -2.117 173.526 176.094 -0.750 0.000 1.014 277 V CA -1.743 60.252 62.300 -0.508 0.000 0.826 277 V CB 1.132 32.835 31.823 -0.200 0.000 1.009 277 V HN 0.642 nan 8.190 nan 0.000 0.431 278 P HA 0.216 nan 4.420 nan 0.000 0.272 278 P C -0.001 177.251 177.300 -0.081 0.000 1.223 278 P CA -0.139 62.784 63.100 -0.296 0.000 0.784 278 P CB 1.351 33.112 31.700 0.102 0.000 0.923 279 D N 0.179 120.584 120.400 0.008 0.000 2.178 279 D HA -0.075 4.329 4.640 -0.393 0.000 0.202 279 D C 0.583 176.923 176.300 0.066 0.000 0.974 279 D CA 1.707 55.735 54.000 0.046 0.000 0.841 279 D CB 0.031 40.879 40.800 0.081 0.000 0.953 279 D HN 0.587 nan 8.370 nan 0.000 0.478 280 D N -2.275 118.181 120.400 0.093 0.000 2.798 280 D HA 0.234 4.638 4.640 -0.393 0.000 0.308 280 D C -0.288 176.091 176.300 0.132 0.000 1.187 280 D CA -0.688 53.369 54.000 0.096 0.000 1.033 280 D CB 0.569 41.422 40.800 0.087 0.000 1.445 280 D HN -0.175 nan 8.370 nan 0.000 0.550 281 S N -1.912 113.858 115.700 0.117 0.000 2.624 281 S HA 0.154 4.388 4.470 -0.393 0.000 0.246 281 S C 0.057 174.737 174.600 0.133 0.000 1.072 281 S CA -0.713 57.573 58.200 0.143 0.000 1.045 281 S CB -0.745 62.512 63.200 0.095 0.000 0.851 281 S HN 0.597 nan 8.310 nan 0.000 0.480 282 Q N 0.575 120.440 119.800 0.109 0.000 2.260 282 Q HA 0.505 4.609 4.340 -0.393 0.000 0.242 282 Q C -0.939 175.050 176.000 -0.017 0.000 0.932 282 Q CA -0.416 55.410 55.803 0.037 0.000 0.891 282 Q CB 0.624 29.362 28.738 -0.001 0.000 1.222 282 Q HN 0.090 nan 8.270 nan 0.000 0.453 283 T N 2.736 117.229 114.554 -0.100 0.000 2.799 283 T HA 0.497 4.611 4.350 -0.393 0.000 0.286 283 T C -0.618 173.782 174.700 -0.501 0.000 0.973 283 T CA -0.580 61.352 62.100 -0.280 0.000 1.035 283 T CB 0.605 69.377 68.868 -0.161 0.000 0.932 283 T HN 0.487 nan 8.240 nan 0.000 0.469 284 R N 1.799 121.820 120.500 -0.798 0.000 2.651 284 R HA 0.480 4.584 4.340 -0.393 0.000 0.278 284 R C -1.286 174.518 176.300 -0.826 0.000 1.010 284 R CA -0.707 54.912 56.100 -0.801 0.000 0.896 284 R CB 1.879 31.672 30.300 -0.845 0.000 1.211 284 R HN 0.485 nan 8.270 nan 0.000 0.456 285 F N 0.649 120.553 119.950 -0.077 0.000 2.397 285 F HA 0.211 4.502 4.527 -0.394 0.000 0.331 285 F C 1.596 177.541 175.800 0.242 0.000 1.090 285 F CA -0.763 57.278 58.000 0.068 0.000 1.065 285 F CB 1.304 40.331 39.000 0.045 0.000 1.184 285 F HN 0.208 nan 8.300 nan 0.000 0.499 286 V N -0.341 119.850 119.914 0.461 0.000 2.379 286 V HA -0.142 3.742 4.120 -0.393 0.000 0.245 286 V C 0.270 176.375 176.094 0.019 0.000 1.044 286 V CA 1.648 64.103 62.300 0.259 0.000 1.036 286 V CB -0.346 31.582 31.823 0.175 0.000 0.664 286 V HN 0.739 nan 8.190 nan 0.000 0.453 287 D N -0.725 119.676 120.400 0.002 0.000 2.964 287 D HA 0.271 4.675 4.640 -0.393 0.000 0.234 287 D C -0.248 176.046 176.300 -0.010 0.000 1.223 287 D CA -0.479 53.408 54.000 -0.188 0.000 0.889 287 D CB 2.366 42.761 40.800 -0.676 0.000 1.609 287 D HN 0.289 nan 8.370 nan 0.000 0.523 288 I N 0.897 121.470 120.570 0.004 0.000 3.856 288 I HA 0.478 4.412 4.170 -0.393 0.000 0.333 288 I C 0.716 176.838 176.117 0.008 0.000 1.525 288 I CA -0.642 60.673 61.300 0.026 0.000 1.173 288 I CB 0.683 38.742 38.000 0.098 0.000 1.175 288 I HN 0.149 nan 8.210 nan 0.000 0.424 289 G N 1.069 109.863 108.800 -0.010 0.000 2.557 289 G HA2 0.225 3.950 3.960 -0.393 0.000 0.292 289 G HA3 0.225 3.950 3.960 -0.393 0.000 0.292 289 G C 0.329 175.228 174.900 -0.001 0.000 1.237 289 G CA -0.521 44.579 45.100 -0.001 0.000 0.978 289 G HN 0.184 nan 8.290 nan 0.000 0.498 290 K N -1.026 119.375 120.400 0.001 0.000 2.228 290 K HA 0.040 4.124 4.320 -0.393 0.000 0.202 290 K C 0.134 176.733 176.600 -0.003 0.000 1.051 290 K CA 0.861 57.150 56.287 0.004 0.000 0.960 290 K CB 0.353 32.876 32.500 0.037 0.000 0.743 290 K HN 0.332 nan 8.250 nan 0.000 0.458 291 D N -0.003 120.412 120.400 0.025 0.000 2.863 291 D HA 0.112 4.517 4.640 -0.393 0.000 0.323 291 D C -1.361 174.978 176.300 0.066 0.000 1.286 291 D CA -0.135 53.847 54.000 -0.031 0.000 0.921 291 D CB 0.124 40.915 40.800 -0.015 0.000 1.024 291 D HN 0.033 nan 8.370 nan 0.000 0.505 292 F N 2.313 122.231 119.950 -0.054 0.000 2.941 292 F HA 0.301 4.589 4.527 -0.399 0.000 0.359 292 F C -2.058 173.841 175.800 0.164 0.000 1.231 292 F CA -0.844 57.177 58.000 0.035 0.000 1.089 292 F CB 1.009 40.034 39.000 0.041 0.000 1.407 292 F HN -0.090 nan 8.300 nan 0.000 0.538 293 Y N 4.206 124.400 120.300 -0.177 0.000 2.553 293 Y HA 0.595 4.909 4.550 -0.394 0.000 0.347 293 Y C 0.192 176.129 175.900 0.060 0.000 1.019 293 Y CA -0.756 57.351 58.100 0.012 0.000 1.032 293 Y CB 2.292 40.770 38.460 0.029 0.000 1.284 293 Y HN 0.814 nan 8.280 nan 0.000 0.466 294 A N 3.572 125.966 122.820 -0.710 0.000 2.822 294 A HA -0.303 3.781 4.320 -0.393 0.000 0.287 294 A C -0.175 177.283 177.584 -0.212 0.000 1.479 294 A CA 0.872 52.649 52.037 -0.433 0.000 0.779 294 A CB -2.686 16.189 19.000 -0.209 0.000 1.022 294 A HN 0.968 nan 8.150 nan 0.000 0.532 295 F N 0.125 119.872 119.950 -0.339 0.000 2.629 295 F HA 0.408 4.696 4.527 -0.397 0.000 0.377 295 F C 0.551 176.170 175.800 -0.303 0.000 1.101 295 F CA 1.819 59.611 58.000 -0.346 0.000 1.301 295 F CB 0.371 39.218 39.000 -0.256 0.000 1.062 295 F HN 0.639 nan 8.300 nan 0.000 0.583 296 Q N 3.667 122.788 119.800 -1.131 0.000 2.416 296 Q HA 0.420 4.524 4.340 -0.393 0.000 0.281 296 Q C -1.197 174.075 176.000 -1.215 0.000 1.067 296 Q CA -0.905 54.310 55.803 -0.980 0.000 0.809 296 Q CB 2.083 30.504 28.738 -0.529 0.000 1.418 296 Q HN 0.791 nan 8.270 nan 0.000 0.411 297 T N -0.744 113.330 114.554 -0.800 0.000 2.928 297 T HA 0.552 4.666 4.350 -0.393 0.000 0.284 297 T C -0.277 174.320 174.700 -0.171 0.000 1.008 297 T CA -0.485 61.357 62.100 -0.430 0.000 1.057 297 T CB 0.442 69.182 68.868 -0.213 0.000 1.018 297 T HN 0.314 nan 8.240 nan 0.000 0.493 298 F N 1.649 121.634 119.950 0.059 0.000 2.456 298 F HA 0.379 4.670 4.527 -0.392 0.000 0.358 298 F C 1.386 177.353 175.800 0.278 0.000 1.095 298 F CA -0.174 57.972 58.000 0.245 0.000 1.216 298 F CB 0.786 40.032 39.000 0.409 0.000 1.125 298 F HN 0.591 nan 8.300 nan 0.000 0.549 299 S N 2.443 118.440 115.700 0.496 0.000 2.603 299 S HA 0.197 4.431 4.470 -0.393 0.000 0.268 299 S C 0.027 174.925 174.600 0.497 0.000 1.317 299 S CA -0.598 57.873 58.200 0.452 0.000 1.012 299 S CB 0.687 64.139 63.200 0.420 0.000 0.926 299 S HN 0.652 nan 8.310 nan 0.000 0.539 300 E N -1.640 118.804 120.200 0.407 0.000 2.957 300 E HA -0.137 3.978 4.350 -0.393 0.000 0.287 300 E C -0.816 175.962 176.600 0.298 0.000 0.976 300 E CA 0.299 56.920 56.400 0.368 0.000 0.907 300 E CB -2.549 27.401 29.700 0.417 0.000 1.456 300 E HN 0.333 nan 8.360 nan 0.000 0.421 301 V N 1.629 121.706 119.914 0.270 0.000 2.432 301 V HA 0.125 4.009 4.120 -0.393 0.000 0.271 301 V C 0.903 177.041 176.094 0.073 0.000 1.046 301 V CA -0.113 62.298 62.300 0.185 0.000 0.945 301 V CB 1.410 33.395 31.823 0.270 0.000 0.992 301 V HN 0.013 nan 8.190 nan 0.000 0.471 302 E N 4.003 124.174 120.200 -0.048 0.000 2.266 302 E HA 0.357 4.471 4.350 -0.393 0.000 0.277 302 E C -0.238 176.191 176.600 -0.284 0.000 1.018 302 E CA -0.408 55.839 56.400 -0.255 0.000 0.840 302 E CB 0.647 30.089 29.700 -0.430 0.000 1.082 302 E HN 0.756 nan 8.360 nan 0.000 0.395 303 H N 0.378 119.470 119.070 0.037 0.000 3.194 303 H HA -0.138 4.181 4.556 -0.395 0.000 0.347 303 H C 0.778 176.128 175.328 0.037 0.000 1.106 303 H CA 0.764 56.826 56.048 0.025 0.000 1.110 303 H CB -1.723 28.043 29.762 0.007 0.000 1.586 303 H HN 0.927 nan 8.280 nan 0.000 0.391 304 G N -0.753 108.118 108.800 0.119 0.000 2.615 304 G HA2 -0.040 3.684 3.960 -0.393 0.000 0.218 304 G HA3 -0.040 3.684 3.960 -0.393 0.000 0.218 304 G C -0.802 174.170 174.900 0.120 0.000 1.339 304 G CA -0.339 44.822 45.100 0.103 0.000 0.884 304 G HN 0.843 nan 8.290 nan 0.000 0.559 305 V N 0.370 120.377 119.914 0.153 0.000 2.577 305 V HA 0.694 4.578 4.120 -0.393 0.000 0.303 305 V C -0.530 175.739 176.094 0.292 0.000 1.042 305 V CA -0.724 61.701 62.300 0.208 0.000 0.872 305 V CB 1.472 33.420 31.823 0.208 0.000 0.998 305 V HN 0.790 nan 8.190 nan 0.000 0.423 306 L N 3.704 125.109 121.223 0.304 0.000 2.362 306 L HA 1.027 5.131 4.340 -0.393 0.000 0.271 306 L C 0.404 177.556 176.870 0.470 0.000 1.002 306 L CA 0.140 55.185 54.840 0.342 0.000 0.818 306 L CB 1.881 43.995 42.059 0.091 0.000 1.298 306 L HN 0.817 nan 8.230 nan 0.000 0.420 307 G N 1.648 110.778 108.800 0.550 0.000 2.649 307 G HA2 0.744 4.468 3.960 -0.393 0.000 0.290 307 G HA3 0.744 4.468 3.960 -0.393 0.000 0.290 307 G C -2.059 173.113 174.900 0.453 0.000 1.426 307 G CA -0.437 44.836 45.100 0.288 0.000 0.794 307 G HN 0.608 nan 8.290 nan 0.000 0.483 308 L N -3.036 118.254 121.223 0.112 0.000 2.765 308 L HA 1.036 5.141 4.340 -0.393 0.000 0.263 308 L C -0.227 176.610 176.870 -0.055 0.000 1.068 308 L CA -1.290 53.678 54.840 0.214 0.000 0.903 308 L CB 1.112 43.279 42.059 0.180 0.000 1.512 308 L HN 1.497 nan 8.230 nan 0.000 0.404 309 A N -0.785 121.929 122.820 -0.176 0.000 2.486 309 A HA 0.763 4.848 4.320 -0.393 0.000 0.289 309 A C -2.120 175.360 177.584 -0.174 0.000 1.176 309 A CA -0.486 51.308 52.037 -0.406 0.000 0.757 309 A CB 1.056 19.266 19.000 -1.316 0.000 1.337 309 A HN 1.000 nan 8.150 nan 0.000 0.423 310 W N 1.312 122.426 121.300 -0.310 0.000 2.311 310 W HA 0.521 4.942 4.660 -0.398 0.000 0.310 310 W C 0.178 176.597 176.519 -0.166 0.000 1.274 310 W CA -0.510 56.702 57.345 -0.221 0.000 1.215 310 W CB 0.800 30.140 29.460 -0.200 0.000 1.227 310 W HN 0.803 nan 8.180 nan 0.000 0.523 311 A N 5.356 128.044 122.820 -0.220 0.000 3.202 311 A HA 0.504 4.588 4.320 -0.393 0.000 0.258 311 A C 0.015 177.327 177.584 -0.452 0.000 1.572 311 A CA 0.091 51.984 52.037 -0.239 0.000 1.241 311 A CB -0.379 18.592 19.000 -0.048 0.000 1.127 311 A HN 0.484 nan 8.150 nan 0.000 0.648 312 S N -0.038 115.097 115.700 -0.942 0.000 2.790 312 S HA 0.566 4.800 4.470 -0.393 0.000 0.292 312 S C -1.582 172.449 174.600 -0.948 0.000 1.197 312 S CA -0.735 56.952 58.200 -0.856 0.000 0.851 312 S CB 1.290 63.927 63.200 -0.939 0.000 1.217 312 S HN 0.562 nan 8.310 nan 0.000 0.526 313 N N -0.195 118.006 118.700 -0.832 0.000 2.295 313 N HA 0.260 4.764 4.740 -0.393 0.000 0.293 313 N C -0.155 174.941 175.510 -0.690 0.000 1.040 313 N CA -0.502 52.078 53.050 -0.783 0.000 0.840 313 N CB 1.018 39.049 38.487 -0.761 0.000 1.468 313 N HN 0.804 nan 8.380 nan 0.000 0.478 314 W N 1.812 122.865 121.300 -0.411 0.000 2.387 314 W HA -0.108 4.320 4.660 -0.388 0.000 0.272 314 W C 2.026 178.424 176.519 -0.202 0.000 1.224 314 W CA 0.440 57.704 57.345 -0.135 0.000 1.210 314 W CB 0.333 29.735 29.460 -0.096 0.000 1.125 314 W HN 0.611 nan 8.180 nan 0.000 0.572 315 Q N -1.382 118.325 119.800 -0.155 0.000 2.135 315 Q HA -0.227 3.877 4.340 -0.393 0.000 0.204 315 Q C 1.018 177.066 176.000 0.080 0.000 0.981 315 Q CA 1.935 57.644 55.803 -0.156 0.000 0.856 315 Q CB -0.278 28.356 28.738 -0.174 0.000 0.902 315 Q HN 0.659 nan 8.270 nan 0.000 0.425 316 Y N -5.862 114.581 120.300 0.239 0.000 2.729 316 Y HA 0.596 4.909 4.550 -0.395 0.000 0.266 316 Y C 1.439 177.456 175.900 0.196 0.000 1.064 316 Y CA -0.109 58.157 58.100 0.276 0.000 1.251 316 Y CB -0.568 38.148 38.460 0.428 0.000 1.379 316 Y HN -0.068 nan 8.280 nan 0.000 0.569 317 A N 1.830 124.775 122.820 0.208 0.000 1.927 317 A HA -0.294 3.790 4.320 -0.393 0.000 0.220 317 A C 1.673 179.521 177.584 0.440 0.000 1.185 317 A CA 2.492 54.699 52.037 0.284 0.000 0.639 317 A CB -0.894 18.273 19.000 0.278 0.000 0.820 317 A HN 0.607 nan 8.150 nan 0.000 0.451 318 D N -1.914 118.741 120.400 0.425 0.000 2.319 318 D HA 0.028 4.432 4.640 -0.393 0.000 0.230 318 D C 1.099 177.479 176.300 0.132 0.000 1.094 318 D CA 0.344 54.527 54.000 0.305 0.000 0.856 318 D CB 0.002 40.826 40.800 0.040 0.000 0.915 318 D HN 0.418 nan 8.370 nan 0.000 0.517 319 Q N 0.060 119.911 119.800 0.085 0.000 2.211 319 Q HA 0.152 4.256 4.340 -0.393 0.000 0.242 319 Q C 0.824 176.632 176.000 -0.319 0.000 0.825 319 Q CA 0.004 55.805 55.803 -0.003 0.000 0.951 319 Q CB 1.334 30.174 28.738 0.170 0.000 1.130 319 Q HN 0.387 nan 8.270 nan 0.000 0.496 320 V N 1.082 120.648 119.914 -0.581 0.000 2.843 320 V HA 0.221 4.105 4.120 -0.393 0.000 0.305 320 V C -2.102 173.390 176.094 -1.003 0.000 1.065 320 V CA -1.335 60.161 62.300 -1.339 0.000 1.116 320 V CB 0.251 31.210 31.823 -1.440 0.000 0.968 320 V HN 0.002 nan 8.190 nan 0.000 0.487 321 P HA 0.216 nan 4.420 nan 0.000 0.220 321 P C -0.068 176.967 177.300 -0.441 0.000 1.806 321 P CA 0.102 62.881 63.100 -0.534 0.000 0.976 321 P CB -0.629 30.882 31.700 -0.315 0.000 1.952 322 T N -1.032 113.181 114.554 -0.569 0.000 2.912 322 T HA 0.673 4.787 4.350 -0.393 0.000 0.288 322 T C -0.706 173.592 174.700 -0.670 0.000 1.030 322 T CA -0.889 60.750 62.100 -0.768 0.000 1.020 322 T CB 2.001 70.039 68.868 -1.383 0.000 1.056 322 T HN 0.070 nan 8.240 nan 0.000 0.480 323 N N 1.102 119.472 118.700 -0.551 0.000 2.555 323 N HA 0.450 4.954 4.740 -0.393 0.000 0.265 323 N C -2.841 172.752 175.510 0.139 0.000 1.135 323 N CA -1.526 51.419 53.050 -0.175 0.000 0.925 323 N CB 2.308 40.748 38.487 -0.079 0.000 1.662 323 N HN 0.362 nan 8.380 nan 0.000 0.489 324 P HA 0.214 nan 4.420 nan 0.000 0.254 324 P C -1.135 176.325 177.300 0.267 0.000 1.494 324 P CA 0.074 63.286 63.100 0.187 0.000 0.961 324 P CB -0.733 31.066 31.700 0.165 0.000 1.493 325 W N -0.060 121.235 121.300 -0.007 0.000 2.902 325 W HA 0.706 5.138 4.660 -0.380 0.000 0.346 325 W C -1.198 175.328 176.519 0.012 0.000 1.139 325 W CA -1.176 56.171 57.345 0.003 0.000 1.139 325 W CB 1.289 30.701 29.460 -0.080 0.000 1.439 325 W HN -0.407 nan 8.180 nan 0.000 0.558 326 R N 2.368 122.742 120.500 -0.210 0.000 2.621 326 R HA 0.627 4.731 4.340 -0.393 0.000 0.284 326 R C -1.274 174.956 176.300 -0.117 0.000 0.998 326 R CA -0.873 55.009 56.100 -0.363 0.000 0.895 326 R CB 2.062 32.360 30.300 -0.002 0.000 1.195 326 R HN 0.790 nan 8.270 nan 0.000 0.450 327 S N 0.278 115.951 115.700 -0.044 0.000 2.922 327 S HA -0.130 4.104 4.470 -0.393 0.000 0.854 327 S C -0.801 173.884 174.600 0.141 0.000 0.921 327 S CA 0.099 58.346 58.200 0.077 0.000 1.418 327 S CB -0.379 62.828 63.200 0.012 0.000 1.015 327 S HN 0.855 nan 8.310 nan 0.000 0.230 328 S N 0.938 116.694 115.700 0.093 0.000 2.671 328 S HA 0.923 5.158 4.470 -0.393 0.000 0.299 328 S C 0.082 174.717 174.600 0.060 0.000 1.116 328 S CA 0.010 58.215 58.200 0.009 0.000 0.912 328 S CB 1.855 65.047 63.200 -0.013 0.000 1.130 328 S HN 1.521 nan 8.310 nan 0.000 0.501 329 T N 0.252 114.826 114.554 0.035 0.000 2.847 329 T HA 0.596 4.710 4.350 -0.393 0.000 0.279 329 T C 0.742 175.552 174.700 0.182 0.000 0.984 329 T CA -0.230 61.905 62.100 0.058 0.000 0.988 329 T CB 0.561 69.400 68.868 -0.047 0.000 1.040 329 T HN 1.175 nan 8.240 nan 0.000 0.528 330 S N 0.602 116.414 115.700 0.187 0.000 2.617 330 S HA 0.401 4.635 4.470 -0.393 0.000 0.259 330 S C 0.427 175.189 174.600 0.269 0.000 1.301 330 S CA -1.061 57.350 58.200 0.351 0.000 0.984 330 S CB -0.289 63.154 63.200 0.406 0.000 0.954 330 S HN 0.653 nan 8.310 nan 0.000 0.572 331 L N 1.086 122.420 121.223 0.185 0.000 2.482 331 L HA 0.328 4.432 4.340 -0.393 0.000 0.273 331 L C 1.094 178.063 176.870 0.166 0.000 1.228 331 L CA -0.431 54.424 54.840 0.025 0.000 0.827 331 L CB -0.127 41.916 42.059 -0.026 0.000 1.099 331 L HN 0.933 nan 8.230 nan 0.000 0.494 332 A N 3.270 126.161 122.820 0.117 0.000 2.511 332 A HA 0.362 4.447 4.320 -0.393 0.000 0.242 332 A C 0.033 177.672 177.584 0.090 0.000 1.069 332 A CA 0.048 52.170 52.037 0.142 0.000 0.763 332 A CB 0.078 19.049 19.000 -0.049 0.000 1.001 332 A HN 0.778 nan 8.150 nan 0.000 0.498 333 R N 1.379 122.002 120.500 0.205 0.000 2.803 333 R HA 0.399 4.503 4.340 -0.393 0.000 0.276 333 R C -0.885 175.412 176.300 -0.004 0.000 0.978 333 R CA -0.966 55.156 56.100 0.037 0.000 0.939 333 R CB 1.438 31.746 30.300 0.012 0.000 1.179 333 R HN 0.745 nan 8.270 nan 0.000 0.472 334 N N 1.598 120.164 118.700 -0.223 0.000 2.424 334 N HA 0.207 4.711 4.740 -0.393 0.000 0.271 334 N C -1.619 173.745 175.510 -0.244 0.000 0.985 334 N CA -0.253 52.725 53.050 -0.120 0.000 0.921 334 N CB 0.750 39.153 38.487 -0.140 0.000 1.149 334 N HN 0.398 nan 8.380 nan 0.000 0.492 335 Y N 1.119 121.447 120.300 0.048 0.000 2.331 335 Y HA 0.370 4.684 4.550 -0.393 0.000 0.338 335 Y C 1.019 176.932 175.900 0.021 0.000 0.992 335 Y CA -0.399 57.728 58.100 0.046 0.000 1.121 335 Y CB 1.578 40.109 38.460 0.119 0.000 1.184 335 Y HN 0.416 nan 8.280 nan 0.000 0.469 336 T N 0.495 115.103 114.554 0.090 0.000 2.838 336 T HA 0.801 4.915 4.350 -0.393 0.000 0.292 336 T C -1.188 173.521 174.700 0.014 0.000 1.113 336 T CA -1.059 61.067 62.100 0.043 0.000 1.008 336 T CB 1.393 70.261 68.868 0.000 0.000 1.259 336 T HN 0.428 nan 8.240 nan 0.000 0.520 337 L N 0.629 121.843 121.223 -0.016 0.000 2.346 337 L HA 0.756 4.860 4.340 -0.393 0.000 0.276 337 L C -0.012 176.804 176.870 -0.090 0.000 1.006 337 L CA -0.880 53.922 54.840 -0.063 0.000 0.817 337 L CB 1.985 43.994 42.059 -0.082 0.000 1.272 337 L HN 0.692 nan 8.230 nan 0.000 0.421 338 R N 1.811 122.241 120.500 -0.117 0.000 2.604 338 R HA 0.374 4.478 4.340 -0.393 0.000 0.281 338 R C -1.694 174.523 176.300 -0.138 0.000 1.020 338 R CA -0.734 55.316 56.100 -0.082 0.000 0.899 338 R CB 1.607 31.904 30.300 -0.005 0.000 1.205 338 R HN 0.420 nan 8.270 nan 0.000 0.450 339 Y N 3.584 123.897 120.300 0.022 0.000 2.531 339 Y HA 0.187 4.502 4.550 -0.392 0.000 0.347 339 Y C 0.501 176.393 175.900 -0.012 0.000 1.024 339 Y CA 0.006 58.108 58.100 0.003 0.000 1.306 339 Y CB 0.974 39.425 38.460 -0.016 0.000 1.149 339 Y HN 0.262 nan 8.280 nan 0.000 0.527 340 V N -0.065 119.915 119.914 0.110 0.000 2.769 340 V HA 0.480 4.364 4.120 -0.393 0.000 0.312 340 V C -0.559 175.579 176.094 0.072 0.000 1.061 340 V CA -1.397 60.958 62.300 0.092 0.000 0.931 340 V CB 1.457 33.348 31.823 0.113 0.000 1.010 340 V HN 0.653 nan 8.190 nan 0.000 0.433 341 H N 2.419 121.571 119.070 0.136 0.000 3.026 341 H HA 0.314 4.634 4.556 -0.393 0.000 0.289 341 H C 1.437 176.862 175.328 0.162 0.000 1.022 341 H CA 1.051 57.185 56.048 0.144 0.000 1.477 341 H CB 1.440 31.286 29.762 0.140 0.000 1.510 341 H HN 1.015 nan 8.280 nan 0.000 0.535 342 T N -0.134 114.582 114.554 0.270 0.000 3.051 342 T HA 0.010 4.124 4.350 -0.393 0.000 0.255 342 T C 0.555 175.434 174.700 0.299 0.000 1.085 342 T CA 0.236 62.493 62.100 0.261 0.000 1.109 342 T CB 0.062 69.045 68.868 0.193 0.000 0.921 342 T HN 0.678 nan 8.240 nan 0.000 0.488 343 N N -0.096 118.777 118.700 0.287 0.000 3.102 343 N HA 0.663 5.168 4.740 -0.393 0.000 0.299 343 N C 1.013 176.680 175.510 0.262 0.000 1.482 343 N CA -0.416 52.793 53.050 0.265 0.000 0.785 343 N CB 0.687 39.281 38.487 0.178 0.000 1.680 343 N HN -0.042 nan 8.380 nan 0.000 0.594 344 A N -0.744 122.181 122.820 0.175 0.000 1.972 344 A HA -0.109 3.976 4.320 -0.393 0.000 0.219 344 A C 1.575 179.209 177.584 0.084 0.000 1.169 344 A CA 1.256 53.334 52.037 0.069 0.000 0.635 344 A CB -0.642 18.394 19.000 0.060 0.000 0.810 344 A HN 0.700 nan 8.150 nan 0.000 0.446 345 E N -0.836 119.462 120.200 0.163 0.000 2.276 345 E HA 0.038 4.152 4.350 -0.393 0.000 0.193 345 E C -0.239 176.503 176.600 0.237 0.000 0.983 345 E CA 0.617 57.117 56.400 0.166 0.000 0.861 345 E CB 0.331 30.092 29.700 0.103 0.000 0.817 345 E HN 0.452 nan 8.360 nan 0.000 0.485 346 T N 1.160 115.878 114.554 0.275 0.000 2.861 346 T HA 0.378 4.492 4.350 -0.393 0.000 0.287 346 T C -0.349 174.410 174.700 0.099 0.000 1.003 346 T CA -0.627 61.570 62.100 0.161 0.000 0.977 346 T CB 2.400 71.342 68.868 0.123 0.000 0.996 346 T HN -0.180 nan 8.240 nan 0.000 0.448 347 K N 2.220 122.599 120.400 -0.036 0.000 2.118 347 K HA 0.566 4.650 4.320 -0.393 0.000 0.254 347 K C -0.353 176.312 176.600 0.108 0.000 0.961 347 K CA -1.055 55.201 56.287 -0.053 0.000 0.876 347 K CB 1.033 33.446 32.500 -0.145 0.000 1.077 347 K HN 0.379 nan 8.250 nan 0.000 0.440 348 Q N 1.800 121.685 119.800 0.142 0.000 2.347 348 Q HA 0.267 4.371 4.340 -0.393 0.000 0.271 348 Q C -0.875 175.177 176.000 0.086 0.000 1.064 348 Q CA -0.748 55.144 55.803 0.148 0.000 0.800 348 Q CB 2.237 31.042 28.738 0.111 0.000 1.304 348 Q HN 0.532 nan 8.270 nan 0.000 0.438 349 L N 2.624 123.831 121.223 -0.026 0.000 2.530 349 L HA 0.183 4.288 4.340 -0.393 0.000 0.273 349 L C -0.634 176.187 176.870 -0.082 0.000 1.141 349 L CA 0.883 55.515 54.840 -0.346 0.000 0.905 349 L CB 0.231 42.039 42.059 -0.418 0.000 1.202 349 L HN 0.543 nan 8.230 nan 0.000 0.473 350 T N 4.927 119.447 114.554 -0.057 0.000 2.863 350 T HA 0.310 4.424 4.350 -0.393 0.000 0.285 350 T C -0.422 174.295 174.700 0.029 0.000 1.009 350 T CA -0.607 61.540 62.100 0.077 0.000 0.989 350 T CB 2.098 71.026 68.868 0.100 0.000 1.004 350 T HN 0.360 nan 8.240 nan 0.000 0.455 351 L N 3.399 124.630 121.223 0.012 0.000 2.410 351 L HA 0.441 4.546 4.340 -0.393 0.000 0.273 351 L C -1.038 175.801 176.870 -0.052 0.000 1.144 351 L CA 0.143 54.884 54.840 -0.165 0.000 0.863 351 L CB -0.202 41.430 42.059 -0.712 0.000 1.140 351 L HN 0.474 nan 8.230 nan 0.000 0.463 352 I N 4.803 125.355 120.570 -0.031 0.000 2.530 352 I HA 0.481 4.415 4.170 -0.393 0.000 0.297 352 I C -0.495 175.540 176.117 -0.136 0.000 1.011 352 I CA -0.036 61.236 61.300 -0.046 0.000 1.107 352 I CB 1.873 39.852 38.000 -0.035 0.000 1.285 352 I HN 0.720 nan 8.210 nan 0.000 0.436 353 Q N 5.236 124.916 119.800 -0.199 0.000 2.345 353 Q HA 0.614 4.718 4.340 -0.393 0.000 0.275 353 Q C -1.943 173.902 176.000 -0.258 0.000 1.063 353 Q CA -1.022 54.520 55.803 -0.436 0.000 0.819 353 Q CB 2.587 30.877 28.738 -0.748 0.000 1.356 353 Q HN 0.502 nan 8.270 nan 0.000 0.418 354 N N 2.237 120.707 118.700 -0.383 0.000 2.242 354 N HA 0.515 5.020 4.740 -0.393 0.000 0.292 354 N C -2.865 172.318 175.510 -0.545 0.000 1.125 354 N CA -1.340 51.390 53.050 -0.533 0.000 0.783 354 N CB 2.679 40.904 38.487 -0.437 0.000 1.558 354 N HN 0.484 nan 8.380 nan 0.000 0.472 355 P HA 0.110 nan 4.420 nan 0.000 0.275 355 P C -0.354 176.738 177.300 -0.346 0.000 1.228 355 P CA -0.240 62.593 63.100 -0.445 0.000 0.786 355 P CB 0.974 32.402 31.700 -0.453 0.000 0.927 356 V N 4.682 124.452 119.914 -0.240 0.000 2.368 356 V HA 0.182 4.066 4.120 -0.393 0.000 0.266 356 V C 0.510 176.467 176.094 -0.228 0.000 1.045 356 V CA 0.037 62.189 62.300 -0.247 0.000 0.899 356 V CB -0.075 31.584 31.823 -0.273 0.000 1.006 356 V HN 0.364 nan 8.190 nan 0.000 0.470 357 L N 8.550 129.639 121.223 -0.223 0.000 2.427 357 L HA 0.487 4.591 4.340 -0.393 0.000 0.264 357 L C -1.918 174.857 176.870 -0.160 0.000 0.989 357 L CA -1.120 53.611 54.840 -0.182 0.000 0.865 357 L CB 2.084 44.044 42.059 -0.164 0.000 1.209 357 L HN 0.498 nan 8.230 nan 0.000 0.430 358 P HA 0.206 nan 4.420 nan 0.000 0.279 358 P C -0.419 176.832 177.300 -0.081 0.000 1.282 358 P CA -0.398 62.635 63.100 -0.112 0.000 0.788 358 P CB 1.196 32.835 31.700 -0.101 0.000 1.139 359 D N -0.943 119.418 120.400 -0.065 0.000 2.363 359 D HA -0.084 4.320 4.640 -0.393 0.000 0.220 359 D C 1.644 177.923 176.300 -0.034 0.000 0.994 359 D CA 0.837 54.806 54.000 -0.051 0.000 0.890 359 D CB -0.323 40.447 40.800 -0.050 0.000 0.906 359 D HN 0.374 nan 8.370 nan 0.000 0.530 360 S N -0.009 115.680 115.700 -0.019 0.000 2.555 360 S HA -0.034 4.200 4.470 -0.393 0.000 0.230 360 S C 1.051 175.702 174.600 0.084 0.000 0.978 360 S CA -0.089 58.122 58.200 0.018 0.000 0.934 360 S CB -0.323 62.895 63.200 0.031 0.000 0.766 360 S HN 0.159 nan 8.310 nan 0.000 0.533 361 I N 2.889 123.473 120.570 0.025 0.000 2.471 361 I HA 0.136 4.070 4.170 -0.393 0.000 0.286 361 I C -0.040 176.063 176.117 -0.022 0.000 1.079 361 I CA -0.308 60.989 61.300 -0.005 0.000 1.398 361 I CB 0.263 38.227 38.000 -0.061 0.000 1.403 361 I HN 0.148 nan 8.210 nan 0.000 0.530 362 N N 4.880 123.566 118.700 -0.023 0.000 2.499 362 N HA 0.290 4.794 4.740 -0.393 0.000 0.281 362 N C -0.970 174.495 175.510 -0.075 0.000 1.098 362 N CA -0.523 52.500 53.050 -0.046 0.000 0.979 362 N CB 1.475 39.936 38.487 -0.043 0.000 1.121 362 N HN 0.250 nan 8.380 nan 0.000 0.466 363 V N 3.106 122.972 119.914 -0.080 0.000 2.348 363 V HA 0.056 3.940 4.120 -0.393 0.000 0.270 363 V C 1.141 177.153 176.094 -0.136 0.000 1.037 363 V CA -0.343 61.893 62.300 -0.107 0.000 0.872 363 V CB 1.091 32.864 31.823 -0.083 0.000 1.002 363 V HN 0.602 nan 8.190 nan 0.000 0.464 364 V N 2.778 122.580 119.914 -0.187 0.000 2.379 364 V HA 0.024 3.908 4.120 -0.393 0.000 0.245 364 V C 0.698 176.633 176.094 -0.266 0.000 1.044 364 V CA 1.650 63.829 62.300 -0.201 0.000 1.036 364 V CB -0.166 31.528 31.823 -0.214 0.000 0.664 364 V HN 0.954 nan 8.190 nan 0.000 0.453 365 D N -1.283 118.859 120.400 -0.431 0.000 2.623 365 D HA 0.447 4.851 4.640 -0.393 0.000 0.241 365 D C -1.269 174.665 176.300 -0.611 0.000 1.241 365 D CA -0.561 53.092 54.000 -0.579 0.000 0.788 365 D CB 2.219 42.457 40.800 -0.936 0.000 1.413 365 D HN 0.407 nan 8.370 nan 0.000 0.429 366 K N 0.412 120.642 120.400 -0.282 0.000 2.536 366 K HA 0.710 4.794 4.320 -0.393 0.000 0.269 366 K C -1.591 175.198 176.600 0.316 0.000 0.965 366 K CA -1.011 55.302 56.287 0.044 0.000 0.860 366 K CB 2.141 34.668 32.500 0.045 0.000 1.423 366 K HN 0.300 nan 8.250 nan 0.000 0.438 367 L N 1.298 122.757 121.223 0.394 0.000 2.341 367 L HA 0.576 4.681 4.340 -0.393 0.000 0.278 367 L C -1.437 175.534 176.870 0.168 0.000 1.005 367 L CA -0.490 54.508 54.840 0.263 0.000 0.818 367 L CB 1.579 43.761 42.059 0.206 0.000 1.259 367 L HN 0.843 nan 8.230 nan 0.000 0.418 368 K N 4.686 125.155 120.400 0.115 0.000 2.541 368 K HA 0.538 4.622 4.320 -0.393 0.000 0.250 368 K C -1.538 175.100 176.600 0.063 0.000 0.950 368 K CA -0.664 55.675 56.287 0.086 0.000 0.805 368 K CB 1.634 34.178 32.500 0.073 0.000 1.166 368 K HN 0.580 nan 8.250 nan 0.000 0.430 369 K N 2.028 122.461 120.400 0.055 0.000 2.444 369 K HA 0.455 4.539 4.320 -0.393 0.000 0.252 369 K C -1.589 175.032 176.600 0.036 0.000 0.993 369 K CA -0.934 55.376 56.287 0.038 0.000 0.847 369 K CB 2.295 34.810 32.500 0.025 0.000 1.340 369 K HN 0.309 nan 8.250 nan 0.000 0.446 370 K N 1.353 121.769 120.400 0.028 0.000 2.513 370 K HA 0.258 4.342 4.320 -0.393 0.000 0.251 370 K C -1.210 175.403 176.600 0.021 0.000 0.939 370 K CA -0.407 55.896 56.287 0.027 0.000 0.793 370 K CB 1.013 33.527 32.500 0.024 0.000 1.241 370 K HN 0.749 nan 8.250 nan 0.000 0.431 371 N N 0.833 119.547 118.700 0.024 0.000 2.714 371 N HA -0.207 4.298 4.740 -0.393 0.000 0.252 371 N C -0.472 175.046 175.510 0.014 0.000 1.014 371 N CA 0.833 53.896 53.050 0.021 0.000 0.735 371 N CB -1.191 37.307 38.487 0.018 0.000 0.924 371 N HN 0.308 nan 8.380 nan 0.000 0.540 372 V N -2.512 117.408 119.914 0.010 0.000 2.539 372 V HA 0.457 4.341 4.120 -0.393 0.000 0.292 372 V C 0.480 176.570 176.094 -0.006 0.000 1.045 372 V CA -0.865 61.434 62.300 -0.002 0.000 0.945 372 V CB 2.007 33.823 31.823 -0.010 0.000 0.993 372 V HN 0.035 nan 8.190 nan 0.000 0.464 373 K N 4.245 124.641 120.400 -0.007 0.000 2.183 373 K HA 0.541 4.625 4.320 -0.393 0.000 0.274 373 K C -0.932 175.657 176.600 -0.018 0.000 1.009 373 K CA -0.540 55.744 56.287 -0.005 0.000 0.888 373 K CB 2.220 34.721 32.500 0.001 0.000 1.078 373 K HN 0.639 nan 8.250 nan 0.000 0.459 374 L N 3.101 124.312 121.223 -0.020 0.000 2.290 374 L HA 0.228 4.332 4.340 -0.393 0.000 0.284 374 L C 0.435 177.309 176.870 0.006 0.000 1.078 374 L CA 0.068 54.890 54.840 -0.030 0.000 0.815 374 L CB 1.132 43.143 42.059 -0.080 0.000 1.162 374 L HN 0.855 nan 8.230 nan 0.000 0.435 375 T N -1.375 113.176 114.554 -0.005 0.000 2.841 375 T HA 0.206 4.320 4.350 -0.393 0.000 0.296 375 T C 0.717 175.412 174.700 -0.008 0.000 1.166 375 T CA -0.795 61.306 62.100 0.001 0.000 1.007 375 T CB 1.249 70.115 68.868 -0.004 0.000 1.253 375 T HN 0.558 nan 8.240 nan 0.000 0.511 376 N N 0.485 119.180 118.700 -0.008 0.000 2.430 376 N HA -0.103 4.401 4.740 -0.393 0.000 0.186 376 N C 0.930 176.430 175.510 -0.016 0.000 1.032 376 N CA 0.972 54.014 53.050 -0.013 0.000 0.893 376 N CB -0.373 38.106 38.487 -0.013 0.000 0.957 376 N HN 0.685 nan 8.380 nan 0.000 0.442 377 K N -0.563 119.829 120.400 -0.015 0.000 2.358 377 K HA 0.236 4.320 4.320 -0.393 0.000 0.200 377 K C -0.116 176.473 176.600 -0.018 0.000 1.030 377 K CA 0.060 56.337 56.287 -0.016 0.000 1.097 377 K CB 0.613 33.105 32.500 -0.013 0.000 0.862 377 K HN 0.109 nan 8.250 nan 0.000 0.534 378 K N 1.694 122.081 120.400 -0.020 0.000 3.122 378 K HA 0.194 4.278 4.320 -0.393 0.000 0.193 378 K C -2.687 173.892 176.600 -0.035 0.000 1.141 378 K CA -1.474 54.798 56.287 -0.025 0.000 0.975 378 K CB 1.025 33.512 32.500 -0.021 0.000 1.173 378 K HN -0.019 nan 8.250 nan 0.000 0.546 379 P HA 0.146 nan 4.420 nan 0.000 0.274 379 P C -0.237 177.029 177.300 -0.058 0.000 1.231 379 P CA -0.285 62.786 63.100 -0.050 0.000 0.790 379 P CB 0.992 32.662 31.700 -0.049 0.000 0.951 380 I N 2.412 122.939 120.570 -0.071 0.000 2.315 380 I HA 0.289 4.223 4.170 -0.393 0.000 0.291 380 I C 0.729 176.788 176.117 -0.098 0.000 1.006 380 I CA -0.263 60.992 61.300 -0.075 0.000 1.265 380 I CB 0.360 38.316 38.000 -0.074 0.000 1.387 380 I HN 0.290 nan 8.210 nan 0.000 0.475 381 K N 4.018 124.355 120.400 -0.105 0.000 2.507 381 K HA 0.354 4.438 4.320 -0.393 0.000 0.252 381 K C -0.387 176.097 176.600 -0.194 0.000 0.943 381 K CA -0.619 55.584 56.287 -0.141 0.000 0.808 381 K CB 2.357 34.789 32.500 -0.113 0.000 1.142 381 K HN 0.417 nan 8.250 nan 0.000 0.426 382 T N 1.858 116.236 114.554 -0.293 0.000 2.901 382 T HA 0.054 4.168 4.350 -0.393 0.000 0.301 382 T C 0.141 174.551 174.700 -0.484 0.000 1.012 382 T CA 0.280 62.054 62.100 -0.543 0.000 1.135 382 T CB 0.006 68.462 68.868 -0.687 0.000 0.936 382 T HN 0.430 nan 8.240 nan 0.000 0.539 383 N N 3.406 121.802 118.700 -0.507 0.000 2.679 383 N HA 0.246 4.750 4.740 -0.393 0.000 0.302 383 N C -1.340 174.158 175.510 -0.021 0.000 1.941 383 N CA -0.443 52.485 53.050 -0.203 0.000 0.875 383 N CB -0.144 38.295 38.487 -0.080 0.000 1.278 383 N HN 0.230 nan 8.380 nan 0.000 0.490 384 F N 0.472 120.474 119.950 0.087 0.000 2.378 384 F HA 0.380 4.676 4.527 -0.386 0.000 0.319 384 F C 1.961 177.814 175.800 0.088 0.000 1.155 384 F CA -0.846 57.212 58.000 0.097 0.000 1.157 384 F CB 0.838 39.926 39.000 0.146 0.000 1.252 384 F HN 0.060 nan 8.300 nan 0.000 0.550 385 K N 0.003 120.572 120.400 0.282 0.000 2.103 385 K HA 0.170 4.255 4.320 -0.393 0.000 0.204 385 K C 0.816 177.516 176.600 0.167 0.000 1.052 385 K CA 1.039 57.429 56.287 0.171 0.000 0.945 385 K CB -0.062 32.507 32.500 0.116 0.000 0.722 385 K HN 0.882 nan 8.250 nan 0.000 0.443 386 G N -1.095 107.813 108.800 0.180 0.000 3.021 386 G HA2 0.396 4.120 3.960 -0.393 0.000 0.290 386 G HA3 0.396 4.120 3.960 -0.393 0.000 0.290 386 G C -1.514 173.476 174.900 0.150 0.000 1.291 386 G CA -0.526 44.670 45.100 0.160 0.000 0.834 386 G HN 0.032 nan 8.290 nan 0.000 0.564 387 S N -1.628 114.097 115.700 0.043 0.000 2.572 387 S HA 0.505 4.739 4.470 -0.393 0.000 0.274 387 S C 0.484 175.119 174.600 0.059 0.000 1.150 387 S CA 0.186 58.388 58.200 0.004 0.000 0.944 387 S CB 1.353 64.364 63.200 -0.315 0.000 1.071 387 S HN 0.852 nan 8.310 nan 0.000 0.479 388 T N 1.551 116.076 114.554 -0.048 0.000 3.107 388 T HA 0.351 4.465 4.350 -0.393 0.000 0.249 388 T C 1.505 176.180 174.700 -0.042 0.000 1.096 388 T CA 0.362 62.423 62.100 -0.066 0.000 1.012 388 T CB -0.057 68.732 68.868 -0.132 0.000 0.977 388 T HN 1.634 nan 8.240 nan 0.000 0.527 389 G N 1.053 109.938 108.800 0.142 0.000 2.159 389 G HA2 -0.203 3.521 3.960 -0.393 0.000 0.256 389 G HA3 -0.203 3.521 3.960 -0.393 0.000 0.256 389 G C -0.209 174.840 174.900 0.248 0.000 0.977 389 G CA 0.175 45.505 45.100 0.384 0.000 0.652 389 G HN 0.649 nan 8.290 nan 0.000 0.531 390 L N 0.239 121.407 121.223 -0.092 0.000 2.356 390 L HA 0.928 5.032 4.340 -0.393 0.000 0.277 390 L C -1.022 175.635 176.870 -0.355 0.000 0.996 390 L CA -1.588 53.209 54.840 -0.072 0.000 0.822 390 L CB 0.971 42.973 42.059 -0.096 0.000 1.256 390 L HN 0.030 nan 8.230 nan 0.000 0.413 391 F N 2.550 122.567 119.950 0.111 0.000 2.601 391 F HA 0.567 4.872 4.527 -0.370 0.000 0.309 391 F C -0.725 175.103 175.800 0.046 0.000 1.089 391 F CA -0.755 57.318 58.000 0.122 0.000 0.940 391 F CB 2.051 41.172 39.000 0.201 0.000 1.273 391 F HN 0.605 nan 8.300 nan 0.000 0.450 392 D N 0.675 121.191 120.400 0.194 0.000 2.490 392 D HA 0.650 5.054 4.640 -0.393 0.000 0.232 392 D C -1.270 175.046 176.300 0.026 0.000 1.053 392 D CA -0.597 53.336 54.000 -0.111 0.000 0.914 392 D CB 1.875 42.537 40.800 -0.231 0.000 1.431 392 D HN 0.256 nan 8.370 nan 0.000 0.483 393 F N -1.139 118.707 119.950 -0.172 0.000 2.569 393 F HA 0.635 4.931 4.527 -0.385 0.000 0.312 393 F C -0.999 174.748 175.800 -0.089 0.000 1.109 393 F CA -0.987 56.974 58.000 -0.064 0.000 0.919 393 F CB 1.824 40.801 39.000 -0.038 0.000 1.211 393 F HN 0.250 nan 8.300 nan 0.000 0.446 394 N N 3.441 122.277 118.700 0.226 0.000 2.519 394 N HA 0.568 5.072 4.740 -0.393 0.000 0.286 394 N C -1.925 173.731 175.510 0.244 0.000 1.079 394 N CA -0.359 52.842 53.050 0.252 0.000 0.878 394 N CB 1.543 40.214 38.487 0.306 0.000 1.375 394 N HN 0.796 nan 8.380 nan 0.000 0.514 395 I N 1.529 122.264 120.570 0.276 0.000 2.545 395 I HA 0.346 4.280 4.170 -0.393 0.000 0.292 395 I C -0.264 176.031 176.117 0.296 0.000 1.040 395 I CA -0.568 60.900 61.300 0.280 0.000 1.068 395 I CB 2.429 40.627 38.000 0.331 0.000 1.251 395 I HN 0.254 nan 8.210 nan 0.000 0.424 396 T N 6.274 120.965 114.554 0.228 0.000 2.792 396 T HA 0.653 4.767 4.350 -0.393 0.000 0.280 396 T C -0.747 174.085 174.700 0.220 0.000 0.990 396 T CA -0.400 61.800 62.100 0.166 0.000 0.960 396 T CB 0.720 69.631 68.868 0.070 0.000 0.939 396 T HN 0.393 nan 8.240 nan 0.000 0.439 397 F N 0.385 120.389 119.950 0.090 0.000 2.588 397 F HA 0.814 5.104 4.527 -0.395 0.000 0.314 397 F C -0.744 175.127 175.800 0.118 0.000 1.069 397 F CA -1.363 56.676 58.000 0.066 0.000 0.931 397 F CB 1.532 40.530 39.000 -0.003 0.000 1.260 397 F HN 0.138 nan 8.300 nan 0.000 0.465 398 K N 2.055 122.614 120.400 0.265 0.000 2.259 398 K HA 0.635 4.719 4.320 -0.393 0.000 0.252 398 K C -1.444 175.350 176.600 0.324 0.000 0.936 398 K CA -1.181 55.215 56.287 0.182 0.000 0.810 398 K CB 2.860 35.417 32.500 0.094 0.000 1.143 398 K HN 0.558 nan 8.250 nan 0.000 0.427 399 V N 4.247 124.335 119.914 0.290 0.000 2.385 399 V HA 0.126 4.011 4.120 -0.393 0.000 0.269 399 V C -0.034 176.097 176.094 0.061 0.000 1.043 399 V CA -0.774 61.647 62.300 0.200 0.000 0.906 399 V CB 0.549 32.557 31.823 0.308 0.000 0.995 399 V HN 0.510 nan 8.190 nan 0.000 0.467 400 L N 4.397 125.598 121.223 -0.037 0.000 2.439 400 L HA 0.318 4.422 4.340 -0.393 0.000 0.261 400 L C 0.819 177.665 176.870 -0.039 0.000 1.153 400 L CA 0.108 54.930 54.840 -0.030 0.000 0.808 400 L CB 0.234 42.266 42.059 -0.046 0.000 1.126 400 L HN 0.588 nan 8.230 nan 0.000 0.460 401 N N 2.085 120.778 118.700 -0.013 0.000 2.671 401 N HA 0.290 4.794 4.740 -0.393 0.000 0.274 401 N C -1.016 174.480 175.510 -0.024 0.000 1.188 401 N CA -0.149 52.896 53.050 -0.009 0.000 1.065 401 N CB 0.059 38.549 38.487 0.006 0.000 1.415 401 N HN 0.240 nan 8.380 nan 0.000 0.511 402 L N 1.815 123.011 121.223 -0.045 0.000 2.409 402 L HA 0.418 4.523 4.340 -0.393 0.000 0.272 402 L C -1.157 175.688 176.870 -0.042 0.000 0.980 402 L CA -0.729 54.084 54.840 -0.046 0.000 0.826 402 L CB 1.439 43.460 42.059 -0.064 0.000 1.268 402 L HN 0.233 nan 8.230 nan 0.000 0.407 403 N N 3.829 122.514 118.700 -0.025 0.000 2.411 403 N HA 0.385 4.889 4.740 -0.393 0.000 0.259 403 N C -0.930 174.569 175.510 -0.018 0.000 1.103 403 N CA 0.061 53.101 53.050 -0.017 0.000 0.954 403 N CB 1.866 40.348 38.487 -0.008 0.000 1.085 403 N HN 0.470 nan 8.380 nan 0.000 0.485 404 V N 1.299 121.203 119.914 -0.016 0.000 3.102 404 V HA 0.441 4.325 4.120 -0.393 0.000 0.312 404 V C -0.027 176.067 176.094 0.001 0.000 1.135 404 V CA -0.779 61.515 62.300 -0.010 0.000 1.022 404 V CB 2.132 33.945 31.823 -0.017 0.000 1.056 404 V HN 0.789 nan 8.190 nan 0.000 0.436 405 S N 4.450 120.152 115.700 0.004 0.000 2.572 405 S HA 0.269 4.503 4.470 -0.393 0.000 0.279 405 S C -1.744 172.868 174.600 0.020 0.000 1.341 405 S CA -0.289 57.916 58.200 0.009 0.000 1.043 405 S CB 0.794 63.998 63.200 0.007 0.000 0.887 405 S HN 0.682 nan 8.310 nan 0.000 0.516 406 P HA -0.032 nan 4.420 nan 0.000 0.217 406 P C 1.363 178.690 177.300 0.045 0.000 1.148 406 P CA 1.668 64.781 63.100 0.021 0.000 0.834 406 P CB -0.404 31.299 31.700 0.005 0.000 0.783 407 G N -1.070 107.760 108.800 0.052 0.000 2.920 407 G HA2 -0.082 3.642 3.960 -0.393 0.000 0.208 407 G HA3 -0.082 3.642 3.960 -0.393 0.000 0.208 407 G C 1.030 176.047 174.900 0.196 0.000 1.159 407 G CA 0.081 45.237 45.100 0.094 0.000 0.784 407 G HN 0.296 nan 8.290 nan 0.000 0.535 408 K N 0.184 120.656 120.400 0.120 0.000 2.469 408 K HA 0.063 4.147 4.320 -0.393 0.000 0.204 408 K C 1.083 177.707 176.600 0.039 0.000 1.047 408 K CA 0.133 56.426 56.287 0.010 0.000 1.072 408 K CB 0.831 33.324 32.500 -0.013 0.000 0.863 408 K HN 0.205 nan 8.250 nan 0.000 0.530 409 T N 0.233 114.890 114.554 0.171 0.000 3.535 409 T HA 0.049 4.164 4.350 -0.393 0.000 0.238 409 T C 0.010 174.948 174.700 0.396 0.000 0.909 409 T CA -0.412 61.808 62.100 0.199 0.000 0.928 409 T CB -0.717 68.220 68.868 0.115 0.000 1.134 409 T HN 0.241 nan 8.240 nan 0.000 0.627 410 H N -0.580 118.701 119.070 0.352 0.000 3.037 410 H HA 0.592 4.912 4.556 -0.394 0.000 0.355 410 H C -1.532 173.889 175.328 0.155 0.000 1.263 410 H CA -1.543 54.638 56.048 0.221 0.000 1.129 410 H CB 0.959 30.768 29.762 0.079 0.000 1.861 410 H HN 0.264 nan 8.280 nan 0.000 0.546 411 F N 0.103 119.860 119.950 -0.323 0.000 2.593 411 F HA 0.698 4.988 4.527 -0.395 0.000 0.320 411 F C -1.434 174.244 175.800 -0.204 0.000 1.060 411 F CA -0.896 56.885 58.000 -0.365 0.000 0.940 411 F CB 2.203 40.797 39.000 -0.677 0.000 1.268 411 F HN 0.393 nan 8.300 nan 0.000 0.475 412 D N 2.419 122.789 120.400 -0.050 0.000 2.738 412 D HA 0.437 4.841 4.640 -0.393 0.000 0.237 412 D C -0.949 175.284 176.300 -0.111 0.000 1.123 412 D CA -0.182 53.734 54.000 -0.140 0.000 0.856 412 D CB 3.212 44.016 40.800 0.007 0.000 1.552 412 D HN 0.510 nan 8.370 nan 0.000 0.480 413 I N 2.352 122.788 120.570 -0.224 0.000 2.312 413 I HA 0.221 4.155 4.170 -0.393 0.000 0.290 413 I C -0.084 175.871 176.117 -0.271 0.000 1.008 413 I CA -0.491 60.638 61.300 -0.285 0.000 1.226 413 I CB 0.942 38.640 38.000 -0.503 0.000 1.371 413 I HN 0.106 nan 8.210 nan 0.000 0.468 414 L N 7.531 128.618 121.223 -0.226 0.000 2.264 414 L HA 0.515 4.619 4.340 -0.393 0.000 0.289 414 L C -0.272 176.456 176.870 -0.237 0.000 1.044 414 L CA -0.504 54.221 54.840 -0.193 0.000 0.807 414 L CB 1.222 43.201 42.059 -0.134 0.000 1.192 414 L HN 0.512 nan 8.230 nan 0.000 0.425 415 I N 4.030 124.460 120.570 -0.234 0.000 2.330 415 I HA 0.239 4.173 4.170 -0.393 0.000 0.286 415 I C -0.413 175.594 176.117 -0.183 0.000 1.025 415 I CA -0.350 60.803 61.300 -0.244 0.000 1.197 415 I CB 0.756 38.600 38.000 -0.260 0.000 1.358 415 I HN 0.567 nan 8.210 nan 0.000 0.467 416 N N 4.416 123.019 118.700 -0.161 0.000 2.399 416 N HA 0.316 4.820 4.740 -0.393 0.000 0.295 416 N C -0.091 175.389 175.510 -0.052 0.000 1.048 416 N CA -0.393 52.595 53.050 -0.103 0.000 0.886 416 N CB 2.001 40.424 38.487 -0.106 0.000 1.185 416 N HN 0.588 nan 8.380 nan 0.000 0.487 417 S N 0.753 116.434 115.700 -0.030 0.000 2.634 417 S HA 0.118 4.352 4.470 -0.393 0.000 0.261 417 S C 0.341 174.843 174.600 -0.164 0.000 1.271 417 S CA -0.698 57.482 58.200 -0.033 0.000 0.985 417 S CB 0.569 63.755 63.200 -0.022 0.000 0.968 417 S HN 0.545 nan 8.310 nan 0.000 0.568 418 Q N 0.377 119.907 119.800 -0.451 0.000 2.417 418 Q HA 0.219 4.323 4.340 -0.393 0.000 0.241 418 Q C -0.318 175.499 176.000 -0.304 0.000 1.008 418 Q CA -0.238 55.210 55.803 -0.592 0.000 0.901 418 Q CB 0.335 28.366 28.738 -1.178 0.000 1.259 418 Q HN 0.859 nan 8.270 nan 0.000 0.489 419 E N 2.287 122.356 120.200 -0.219 0.000 2.299 419 E HA 0.103 4.217 4.350 -0.393 0.000 0.272 419 E C -0.328 176.193 176.600 -0.133 0.000 1.043 419 E CA -0.073 56.243 56.400 -0.139 0.000 0.895 419 E CB 0.490 30.130 29.700 -0.100 0.000 1.011 419 E HN 0.677 nan 8.360 nan 0.000 0.432 420 L N 3.737 124.895 121.223 -0.107 0.000 3.058 420 L HA 0.144 4.249 4.340 -0.393 0.000 0.179 420 L C 0.736 177.570 176.870 -0.061 0.000 1.400 420 L CA -0.395 54.393 54.840 -0.087 0.000 1.241 420 L CB 0.027 42.031 42.059 -0.092 0.000 1.515 420 L HN 0.521 nan 8.230 nan 0.000 0.724 421 N N 1.704 120.372 118.700 -0.052 0.000 3.193 421 N HA -0.006 4.498 4.740 -0.393 0.000 0.312 421 N C 0.331 175.820 175.510 -0.035 0.000 1.261 421 N CA 0.727 53.754 53.050 -0.038 0.000 1.208 421 N CB 0.167 38.635 38.487 -0.032 0.000 1.471 421 N HN 0.417 nan 8.380 nan 0.000 0.548 422 S N -1.571 114.106 115.700 -0.038 0.000 3.319 422 S HA -0.231 4.003 4.470 -0.393 0.000 0.319 422 S C 0.325 174.903 174.600 -0.036 0.000 1.236 422 S CA 0.988 59.167 58.200 -0.035 0.000 0.964 422 S CB -2.276 60.908 63.200 -0.027 0.000 1.040 422 S HN 0.621 nan 8.310 nan 0.000 0.620 423 S N -1.172 114.503 115.700 -0.041 0.000 2.548 423 S HA 0.823 5.057 4.470 -0.393 0.000 0.286 423 S C -0.563 174.007 174.600 -0.050 0.000 1.098 423 S CA -0.602 57.576 58.200 -0.038 0.000 0.930 423 S CB 2.341 65.525 63.200 -0.027 0.000 1.070 423 S HN 0.724 nan 8.310 nan 0.000 0.480 424 V N 2.161 122.047 119.914 -0.046 0.000 2.459 424 V HA 0.443 4.328 4.120 -0.393 0.000 0.295 424 V C -0.811 175.264 176.094 -0.032 0.000 1.029 424 V CA -0.685 61.583 62.300 -0.053 0.000 0.874 424 V CB 1.552 33.338 31.823 -0.061 0.000 0.985 424 V HN 0.906 nan 8.190 nan 0.000 0.438 425 D N 2.703 123.090 120.400 -0.021 0.000 2.256 425 D HA 0.596 5.000 4.640 -0.393 0.000 0.250 425 D C -0.007 176.287 176.300 -0.011 0.000 1.093 425 D CA 0.182 54.183 54.000 0.003 0.000 0.882 425 D CB 1.655 42.481 40.800 0.043 0.000 1.185 425 D HN 0.715 nan 8.370 nan 0.000 0.437 426 S N 0.656 116.345 115.700 -0.018 0.000 2.541 426 S HA 0.770 5.005 4.470 -0.393 0.000 0.280 426 S C -0.314 174.244 174.600 -0.071 0.000 1.112 426 S CA -1.007 57.160 58.200 -0.056 0.000 0.925 426 S CB 1.027 64.194 63.200 -0.055 0.000 1.067 426 S HN 0.465 nan 8.310 nan 0.000 0.479 427 I N -0.843 119.636 120.570 -0.152 0.000 2.797 427 I HA 0.805 4.740 4.170 -0.393 0.000 0.307 427 I C -0.816 175.213 176.117 -0.147 0.000 1.033 427 I CA -1.041 60.161 61.300 -0.164 0.000 1.071 427 I CB 1.968 39.773 38.000 -0.325 0.000 1.255 427 I HN 0.775 nan 8.210 nan 0.000 0.445 428 K N 4.244 124.589 120.400 -0.092 0.000 2.443 428 K HA 0.707 4.792 4.320 -0.393 0.000 0.252 428 K C -1.916 174.641 176.600 -0.073 0.000 0.933 428 K CA -0.517 55.726 56.287 -0.072 0.000 0.792 428 K CB 1.850 34.352 32.500 0.004 0.000 1.185 428 K HN 0.692 nan 8.250 nan 0.000 0.425 429 I N 2.869 123.342 120.570 -0.162 0.000 2.466 429 I HA 0.574 4.508 4.170 -0.393 0.000 0.289 429 I C 0.159 176.014 176.117 -0.436 0.000 1.026 429 I CA -0.265 60.906 61.300 -0.215 0.000 1.078 429 I CB 2.136 40.065 38.000 -0.119 0.000 1.249 429 I HN 0.750 nan 8.210 nan 0.000 0.429 430 G N 3.986 112.244 108.800 -0.904 0.000 2.866 430 G HA2 0.772 4.496 3.960 -0.393 0.000 0.289 430 G HA3 0.772 4.496 3.960 -0.393 0.000 0.289 430 G C -2.103 172.013 174.900 -1.306 0.000 1.396 430 G CA -0.564 43.780 45.100 -1.259 0.000 0.848 430 G HN 0.308 nan 8.290 nan 0.000 0.515 431 F N 0.535 119.687 119.950 -1.330 0.000 2.581 431 F HA 0.551 4.843 4.527 -0.393 0.000 0.311 431 F C -1.547 173.979 175.800 -0.456 0.000 1.113 431 F CA -1.031 56.371 58.000 -0.997 0.000 0.935 431 F CB 2.506 40.745 39.000 -1.268 0.000 1.232 431 F HN 0.383 nan 8.300 nan 0.000 0.445 432 D N 3.048 122.923 120.400 -0.876 0.000 2.344 432 D HA 0.192 4.597 4.640 -0.393 0.000 0.239 432 D C 0.560 176.386 176.300 -0.789 0.000 1.064 432 D CA 0.037 53.767 54.000 -0.450 0.000 0.829 432 D CB 2.145 42.817 40.800 -0.213 0.000 1.129 432 D HN 0.655 nan 8.370 nan 0.000 0.506 433 S N 1.976 117.582 115.700 -0.156 0.000 2.406 433 S HA -0.187 4.047 4.470 -0.393 0.000 0.228 433 S C 1.956 176.539 174.600 -0.027 0.000 1.020 433 S CA 1.226 59.443 58.200 0.028 0.000 0.965 433 S CB -0.282 63.080 63.200 0.270 0.000 0.798 433 S HN 0.478 nan 8.310 nan 0.000 0.488 434 S N 1.366 117.048 115.700 -0.029 0.000 2.402 434 S HA -0.056 4.178 4.470 -0.393 0.000 0.229 434 S C 1.776 176.363 174.600 -0.021 0.000 1.021 434 S CA 0.692 58.888 58.200 -0.006 0.000 0.974 434 S CB -0.403 62.797 63.200 -0.001 0.000 0.800 434 S HN 0.440 nan 8.310 nan 0.000 0.484 435 Q N 0.540 120.277 119.800 -0.105 0.000 2.319 435 Q HA 0.323 4.427 4.340 -0.393 0.000 0.209 435 Q C 0.730 176.703 176.000 -0.046 0.000 0.884 435 Q CA 0.555 56.322 55.803 -0.061 0.000 0.938 435 Q CB 0.189 28.864 28.738 -0.105 0.000 1.098 435 Q HN 0.599 nan 8.270 nan 0.000 0.517 436 S N 0.529 116.075 115.700 -0.256 0.000 3.614 436 S HA -0.143 4.091 4.470 -0.393 0.000 0.360 436 S C -0.595 173.699 174.600 -0.508 0.000 1.023 436 S CA 0.533 58.536 58.200 -0.328 0.000 1.114 436 S CB -1.019 62.184 63.200 0.005 0.000 0.907 436 S HN 0.314 nan 8.310 nan 0.000 0.470 437 S N 0.578 115.820 115.700 -0.762 0.000 2.571 437 S HA 0.724 4.959 4.470 -0.393 0.000 0.284 437 S C -0.476 173.774 174.600 -0.584 0.000 1.128 437 S CA -0.640 57.292 58.200 -0.446 0.000 0.970 437 S CB 0.939 64.060 63.200 -0.132 0.000 1.039 437 S HN 0.358 nan 8.310 nan 0.000 0.485 438 F N 2.506 122.293 119.950 -0.272 0.000 2.370 438 F HA 0.615 4.909 4.527 -0.389 0.000 0.324 438 F C 0.226 175.893 175.800 -0.222 0.000 1.116 438 F CA -0.335 57.461 58.000 -0.341 0.000 1.123 438 F CB 0.670 39.260 39.000 -0.684 0.000 1.238 438 F HN 0.638 nan 8.300 nan 0.000 0.536 439 Y N 0.021 120.335 120.300 0.023 0.000 2.597 439 Y HA 0.744 5.060 4.550 -0.391 0.000 0.340 439 Y C -1.667 174.249 175.900 0.027 0.000 1.097 439 Y CA -1.862 56.231 58.100 -0.013 0.000 1.037 439 Y CB 1.069 39.470 38.460 -0.098 0.000 1.305 439 Y HN 0.573 nan 8.280 nan 0.000 0.463 440 I N 1.717 122.418 120.570 0.219 0.000 2.646 440 I HA 0.473 4.408 4.170 -0.393 0.000 0.299 440 I C -1.637 174.570 176.117 0.151 0.000 1.036 440 I CA -0.665 60.720 61.300 0.142 0.000 1.074 440 I CB 1.899 39.952 38.000 0.088 0.000 1.258 440 I HN 0.843 nan 8.210 nan 0.000 0.430 441 D N 5.954 126.420 120.400 0.111 0.000 2.469 441 D HA 0.272 4.676 4.640 -0.393 0.000 0.251 441 D C 0.070 176.412 176.300 0.070 0.000 1.173 441 D CA -0.539 53.509 54.000 0.081 0.000 0.882 441 D CB 1.107 41.947 40.800 0.066 0.000 1.129 441 D HN 0.626 nan 8.370 nan 0.000 0.549 442 R N 2.472 123.025 120.500 0.090 0.000 2.388 442 R HA 0.149 4.253 4.340 -0.393 0.000 0.247 442 R C 0.256 176.679 176.300 0.205 0.000 0.931 442 R CA -0.530 55.641 56.100 0.119 0.000 1.082 442 R CB -0.416 29.967 30.300 0.138 0.000 1.135 442 R HN 0.260 nan 8.270 nan 0.000 0.525 443 H N 1.317 120.450 119.070 0.106 0.000 2.964 443 H HA 0.195 4.516 4.556 -0.393 0.000 0.328 443 H C -0.690 174.700 175.328 0.104 0.000 1.030 443 H CA 0.467 56.583 56.048 0.114 0.000 1.445 443 H CB 0.377 30.172 29.762 0.055 0.000 1.449 443 H HN 0.182 nan 8.280 nan 0.000 0.581 444 I N 8.666 128.967 120.570 -0.447 0.000 2.447 444 I HA 0.266 4.200 4.170 -0.393 0.000 0.287 444 I C -2.131 173.709 176.117 -0.462 0.000 1.023 444 I CA -2.174 58.958 61.300 -0.281 0.000 1.083 444 I CB 2.073 40.064 38.000 -0.015 0.000 1.245 444 I HN 0.621 nan 8.210 nan 0.000 0.434 445 P HA 0.128 nan 4.420 nan 0.000 0.272 445 P C -0.458 176.804 177.300 -0.062 0.000 1.223 445 P CA 0.089 63.137 63.100 -0.087 0.000 0.784 445 P CB 0.503 32.233 31.700 0.049 0.000 0.923 446 N N -1.779 116.898 118.700 -0.039 0.000 2.741 446 N HA -0.112 4.392 4.740 -0.393 0.000 0.251 446 N C -0.698 174.798 175.510 -0.024 0.000 1.112 446 N CA 0.636 53.671 53.050 -0.025 0.000 0.750 446 N CB -1.894 36.587 38.487 -0.010 0.000 1.119 446 N HN 0.226 nan 8.380 nan 0.000 0.561 447 V N 0.585 120.472 119.914 -0.044 0.000 2.357 447 V HA 0.376 4.260 4.120 -0.393 0.000 0.284 447 V C 0.187 176.228 176.094 -0.088 0.000 1.018 447 V CA -0.374 61.924 62.300 -0.004 0.000 0.841 447 V CB 2.240 34.108 31.823 0.075 0.000 0.991 447 V HN 0.010 nan 8.190 nan 0.000 0.437 448 E N 4.353 124.515 120.200 -0.063 0.000 2.238 448 E HA 0.840 4.954 4.350 -0.393 0.000 0.267 448 E C -1.002 175.557 176.600 -0.069 0.000 0.887 448 E CA -0.337 55.955 56.400 -0.179 0.000 0.769 448 E CB 2.126 31.762 29.700 -0.108 0.000 1.187 448 E HN 0.512 nan 8.360 nan 0.000 0.416 449 F N -0.255 119.607 119.950 -0.146 0.000 2.693 449 F HA 0.683 4.975 4.527 -0.391 0.000 0.309 449 F C -2.714 173.033 175.800 -0.088 0.000 1.129 449 F CA -2.701 55.213 58.000 -0.144 0.000 0.948 449 F CB 0.379 39.234 39.000 -0.240 0.000 1.315 449 F HN 0.172 nan 8.300 nan 0.000 0.447 450 P HA 0.231 nan 4.420 nan 0.000 0.266 450 P C -0.475 176.959 177.300 0.223 0.000 1.195 450 P CA 0.334 63.518 63.100 0.140 0.000 0.768 450 P CB 0.409 32.194 31.700 0.142 0.000 0.838 451 R N 0.350 120.963 120.500 0.189 0.000 3.878 451 R HA -0.224 3.881 4.340 -0.393 0.000 0.330 451 R C 0.996 177.480 176.300 0.307 0.000 1.186 451 R CA 0.741 57.049 56.100 0.347 0.000 0.885 451 R CB -1.821 28.781 30.300 0.502 0.000 1.377 451 R HN 0.510 nan 8.270 nan 0.000 0.523 452 K N 1.346 121.730 120.400 -0.026 0.000 2.504 452 K HA -0.119 3.965 4.320 -0.393 0.000 0.195 452 K C 1.350 177.913 176.600 -0.062 0.000 1.036 452 K CA 1.078 57.244 56.287 -0.202 0.000 0.984 452 K CB 0.115 32.188 32.500 -0.713 0.000 0.788 452 K HN 0.227 nan 8.250 nan 0.000 0.488 453 Q N -0.875 118.835 119.800 -0.149 0.000 2.297 453 Q HA -0.123 3.981 4.340 -0.393 0.000 0.208 453 Q C 0.740 176.524 176.000 -0.360 0.000 0.981 453 Q CA 1.452 57.055 55.803 -0.332 0.000 0.876 453 Q CB 0.006 28.394 28.738 -0.583 0.000 0.921 453 Q HN 0.324 nan 8.270 nan 0.000 0.446 454 F N -2.198 117.875 119.950 0.205 0.000 2.695 454 F HA 0.185 4.475 4.527 -0.394 0.000 0.303 454 F C 0.296 176.321 175.800 0.376 0.000 1.091 454 F CA -0.569 57.597 58.000 0.278 0.000 1.300 454 F CB 0.410 39.606 39.000 0.327 0.000 1.071 454 F HN -0.068 nan 8.300 nan 0.000 0.578 455 F N 2.459 122.528 119.950 0.199 0.000 2.605 455 F HA 0.230 4.519 4.527 -0.395 0.000 0.352 455 F C 0.718 176.552 175.800 0.058 0.000 1.236 455 F CA -0.798 57.197 58.000 -0.008 0.000 1.267 455 F CB -0.651 38.223 39.000 -0.209 0.000 1.632 455 F HN -0.249 nan 8.300 nan 0.000 0.639 456 T N 4.129 118.679 114.554 -0.008 0.000 2.871 456 T HA -0.061 4.053 4.350 -0.393 0.000 0.296 456 T C 0.959 175.596 174.700 -0.107 0.000 0.998 456 T CA 0.036 62.124 62.100 -0.021 0.000 1.162 456 T CB 0.538 69.410 68.868 0.006 0.000 0.947 456 T HN 0.464 nan 8.240 nan 0.000 0.536 457 D N 2.199 122.600 120.400 0.001 0.000 2.262 457 D HA 0.054 4.458 4.640 -0.393 0.000 0.212 457 D C 0.522 176.836 176.300 0.023 0.000 0.964 457 D CA 0.866 54.893 54.000 0.045 0.000 0.875 457 D CB 0.444 41.335 40.800 0.152 0.000 0.996 457 D HN 0.482 nan 8.370 nan 0.000 0.497 458 K N 0.733 121.137 120.400 0.006 0.000 2.274 458 K HA 0.608 4.692 4.320 -0.393 0.000 0.262 458 K C -0.536 176.069 176.600 0.008 0.000 0.961 458 K CA -0.341 55.948 56.287 0.004 0.000 0.833 458 K CB 2.348 34.828 32.500 -0.034 0.000 1.102 458 K HN -0.119 nan 8.250 nan 0.000 0.436 459 L N 1.326 122.572 121.223 0.038 0.000 2.415 459 L HA 0.780 4.884 4.340 -0.393 0.000 0.256 459 L C -0.960 175.962 176.870 0.086 0.000 1.010 459 L CA -0.936 53.931 54.840 0.046 0.000 0.826 459 L CB 2.245 44.330 42.059 0.043 0.000 1.405 459 L HN 0.748 nan 8.230 nan 0.000 0.410 460 A N 1.192 124.057 122.820 0.075 0.000 2.532 460 A HA 1.006 5.090 4.320 -0.393 0.000 0.290 460 A C -1.528 176.100 177.584 0.073 0.000 1.143 460 A CA -0.344 51.744 52.037 0.085 0.000 0.728 460 A CB 2.089 21.125 19.000 0.060 0.000 1.317 460 A HN 0.835 nan 8.150 nan 0.000 0.414 461 A N 0.140 122.980 122.820 0.034 0.000 2.442 461 A HA 0.568 4.653 4.320 -0.393 0.000 0.284 461 A C -1.332 176.290 177.584 0.063 0.000 1.058 461 A CA -0.313 51.746 52.037 0.037 0.000 0.738 461 A CB 0.333 19.284 19.000 -0.081 0.000 1.242 461 A HN 1.507 nan 8.150 nan 0.000 0.421 462 Y N 2.611 122.938 120.300 0.045 0.000 2.319 462 Y HA 0.648 4.963 4.550 -0.392 0.000 0.328 462 Y C -0.975 175.017 175.900 0.154 0.000 1.133 462 Y CA -0.092 58.050 58.100 0.070 0.000 1.265 462 Y CB 0.684 39.182 38.460 0.064 0.000 1.218 462 Y HN 0.583 nan 8.280 nan 0.000 0.508 463 L N 5.716 126.634 121.223 -0.509 0.000 2.493 463 L HA 0.291 4.395 4.340 -0.393 0.000 0.265 463 L C -0.607 176.126 176.870 -0.228 0.000 0.954 463 L CA -0.756 54.000 54.840 -0.140 0.000 0.844 463 L CB 2.002 44.211 42.059 0.251 0.000 1.302 463 L HN 0.603 nan 8.230 nan 0.000 0.405 464 E N 2.488 122.664 120.200 -0.040 0.000 2.409 464 E HA 0.202 4.316 4.350 -0.393 0.000 0.257 464 E C -2.260 174.304 176.600 -0.059 0.000 1.150 464 E CA -1.475 54.956 56.400 0.050 0.000 0.942 464 E CB 0.208 30.001 29.700 0.155 0.000 0.979 464 E HN 0.247 nan 8.360 nan 0.000 0.447 465 P HA -0.069 nan 4.420 nan 0.000 0.268 465 P C 0.788 177.697 177.300 -0.651 0.000 1.208 465 P CA -0.059 62.337 63.100 -1.174 0.000 0.777 465 P CB 0.446 31.369 31.700 -1.296 0.000 0.875 466 L N 1.265 122.101 121.223 -0.644 0.000 2.056 466 L HA 0.060 4.164 4.340 -0.393 0.000 0.207 466 L C 0.496 177.202 176.870 -0.275 0.000 1.078 466 L CA 2.224 56.886 54.840 -0.296 0.000 0.749 466 L CB -0.373 41.555 42.059 -0.219 0.000 0.901 466 L HN 0.320 nan 8.230 nan 0.000 0.433 467 D N -3.803 116.331 120.400 -0.443 0.000 2.665 467 D HA 0.267 4.671 4.640 -0.393 0.000 0.287 467 D C -1.774 174.209 176.300 -0.528 0.000 1.266 467 D CA -0.377 53.438 54.000 -0.308 0.000 0.830 467 D CB 1.028 41.737 40.800 -0.153 0.000 1.356 467 D HN -0.133 nan 8.370 nan 0.000 0.437 468 Y N 0.573 120.803 120.300 -0.116 0.000 2.338 468 Y HA 0.289 4.604 4.550 -0.392 0.000 0.333 468 Y C -0.238 175.626 175.900 -0.061 0.000 0.968 468 Y CA -0.852 57.191 58.100 -0.094 0.000 1.123 468 Y CB 1.708 40.121 38.460 -0.077 0.000 1.165 468 Y HN 0.028 nan 8.280 nan 0.000 0.452 469 D N 4.715 125.155 120.400 0.067 0.000 2.467 469 D HA 0.205 4.609 4.640 -0.393 0.000 0.220 469 D C 0.138 176.476 176.300 0.063 0.000 1.103 469 D CA 0.451 54.478 54.000 0.046 0.000 0.886 469 D CB 0.302 41.110 40.800 0.014 0.000 1.025 469 D HN 0.649 nan 8.370 nan 0.000 0.514 470 Q N 2.133 121.969 119.800 0.060 0.000 1.692 470 Q HA -0.238 3.866 4.340 -0.393 0.000 0.332 470 Q C 0.494 176.532 176.000 0.062 0.000 0.767 470 Q CA 2.021 57.851 55.803 0.045 0.000 0.934 470 Q CB -1.308 27.450 28.738 0.032 0.000 2.756 470 Q HN 0.730 nan 8.270 nan 0.000 0.655 471 D N 0.745 121.183 120.400 0.064 0.000 2.369 471 D HA 0.171 4.575 4.640 -0.393 0.000 0.211 471 D C 0.408 176.802 176.300 0.156 0.000 1.077 471 D CA 0.013 54.060 54.000 0.078 0.000 0.842 471 D CB 0.186 41.009 40.800 0.038 0.000 0.947 471 D HN 0.042 nan 8.370 nan 0.000 0.509 472 L N 1.838 123.142 121.223 0.135 0.000 2.305 472 L HA 0.313 4.417 4.340 -0.393 0.000 0.281 472 L C 0.727 177.638 176.870 0.069 0.000 1.085 472 L CA -0.615 54.289 54.840 0.106 0.000 0.813 472 L CB 0.873 42.969 42.059 0.062 0.000 1.157 472 L HN -0.195 nan 8.230 nan 0.000 0.436 473 R N 2.138 122.657 120.500 0.031 0.000 2.442 473 R HA 0.429 4.534 4.340 -0.393 0.000 0.291 473 R C -0.786 175.352 176.300 -0.271 0.000 1.069 473 R CA -0.391 55.567 56.100 -0.236 0.000 1.022 473 R CB 0.732 31.008 30.300 -0.041 0.000 0.976 473 R HN 0.322 nan 8.270 nan 0.000 0.443 474 V N 4.871 124.444 119.914 -0.570 0.000 2.513 474 V HA 0.504 4.388 4.120 -0.393 0.000 0.299 474 V C -0.562 175.031 176.094 -0.835 0.000 1.035 474 V CA -0.567 61.440 62.300 -0.489 0.000 0.889 474 V CB 1.194 32.827 31.823 -0.317 0.000 0.988 474 V HN 0.518 nan 8.190 nan 0.000 0.440 475 F N 1.480 121.001 119.950 -0.715 0.000 2.603 475 F HA 0.755 5.045 4.527 -0.394 0.000 0.317 475 F C 0.331 175.826 175.800 -0.508 0.000 1.066 475 F CA -0.566 57.030 58.000 -0.674 0.000 0.941 475 F CB 2.375 40.765 39.000 -1.017 0.000 1.291 475 F HN 0.507 nan 8.300 nan 0.000 0.472 476 S N 1.961 117.703 115.700 0.071 0.000 2.599 476 S HA 0.874 5.108 4.470 -0.393 0.000 0.294 476 S C -1.554 173.215 174.600 0.282 0.000 1.094 476 S CA -0.743 57.553 58.200 0.160 0.000 0.931 476 S CB 2.086 65.339 63.200 0.088 0.000 1.093 476 S HN 0.815 nan 8.310 nan 0.000 0.488 477 L N 2.224 123.625 121.223 0.297 0.000 2.470 477 L HA 0.559 4.664 4.340 -0.393 0.000 0.268 477 L C -2.243 174.752 176.870 0.208 0.000 0.964 477 L CA -0.761 54.210 54.840 0.218 0.000 0.839 477 L CB 2.015 44.285 42.059 0.351 0.000 1.276 477 L HN 1.002 nan 8.230 nan 0.000 0.403 478 Y N 3.684 123.957 120.300 -0.045 0.000 2.376 478 Y HA 0.760 5.064 4.550 -0.410 0.000 0.340 478 Y C -0.181 175.558 175.900 -0.269 0.000 0.965 478 Y CA -0.449 57.572 58.100 -0.133 0.000 1.078 478 Y CB 2.123 40.491 38.460 -0.152 0.000 1.193 478 Y HN 0.537 nan 8.280 nan 0.000 0.452 479 G N 6.146 114.113 108.800 -1.389 0.000 2.591 479 G HA2 0.581 4.305 3.960 -0.393 0.000 0.306 479 G HA3 0.581 4.305 3.960 -0.393 0.000 0.306 479 G C -2.198 171.777 174.900 -1.542 0.000 1.334 479 G CA -0.824 43.416 45.100 -1.434 0.000 0.981 479 G HN 0.802 nan 8.290 nan 0.000 0.491 480 I N 1.684 121.859 120.570 -0.658 0.000 2.498 480 I HA 0.630 4.565 4.170 -0.393 0.000 0.290 480 I C -1.129 174.983 176.117 -0.009 0.000 1.032 480 I CA -0.950 60.170 61.300 -0.299 0.000 1.073 480 I CB 2.097 40.069 38.000 -0.047 0.000 1.251 480 I HN 0.247 nan 8.210 nan 0.000 0.426 481 V N 6.158 126.148 119.914 0.127 0.000 2.409 481 V HA 0.429 4.313 4.120 -0.393 0.000 0.291 481 V C -0.870 175.394 176.094 0.284 0.000 1.020 481 V CA -0.387 62.073 62.300 0.267 0.000 0.848 481 V CB 1.532 33.557 31.823 0.338 0.000 0.990 481 V HN 0.660 nan 8.190 nan 0.000 0.430 482 D N 4.162 124.699 120.400 0.229 0.000 2.400 482 D HA 0.374 4.778 4.640 -0.393 0.000 0.272 482 D C 0.722 177.049 176.300 0.046 0.000 1.220 482 D CA -0.428 53.659 54.000 0.145 0.000 0.897 482 D CB 0.410 41.322 40.800 0.186 0.000 1.134 482 D HN 0.594 nan 8.370 nan 0.000 0.507 483 K N 1.258 121.744 120.400 0.144 0.000 5.625 483 K HA -0.320 3.764 4.320 -0.393 0.000 0.420 483 K C 0.746 177.204 176.600 -0.238 0.000 0.485 483 K CA 2.152 58.480 56.287 0.068 0.000 1.772 483 K CB -1.007 31.476 32.500 -0.029 0.000 1.074 483 K HN 0.651 nan 8.250 nan 0.000 0.653 484 N N -0.369 118.008 118.700 -0.538 0.000 2.142 484 N HA 0.223 4.727 4.740 -0.393 0.000 0.233 484 N C -0.317 174.519 175.510 -1.123 0.000 1.335 484 N CA -0.337 51.973 53.050 -1.234 0.000 0.837 484 N CB 0.846 38.859 38.487 -0.790 0.000 1.238 484 N HN 0.217 nan 8.380 nan 0.000 0.501 485 I N 1.049 121.319 120.570 -0.501 0.000 2.607 485 I HA 0.501 4.435 4.170 -0.393 0.000 0.290 485 I C -1.815 174.383 176.117 0.135 0.000 1.129 485 I CA -1.079 60.110 61.300 -0.185 0.000 1.042 485 I CB 2.522 40.305 38.000 -0.363 0.000 1.242 485 I HN 0.086 nan 8.210 nan 0.000 0.421 486 I N 6.970 127.668 120.570 0.212 0.000 2.406 486 I HA 0.452 4.386 4.170 -0.393 0.000 0.290 486 I C -1.030 175.112 176.117 0.042 0.000 0.999 486 I CA -0.189 61.205 61.300 0.156 0.000 1.124 486 I CB 1.446 39.532 38.000 0.143 0.000 1.289 486 I HN 0.613 nan 8.210 nan 0.000 0.441 487 E N 7.776 127.980 120.200 0.007 0.000 2.158 487 E HA 0.513 4.627 4.350 -0.393 0.000 0.271 487 E C -1.390 175.036 176.600 -0.290 0.000 0.911 487 E CA -0.673 55.657 56.400 -0.117 0.000 0.767 487 E CB 2.306 32.050 29.700 0.073 0.000 1.120 487 E HN 0.535 nan 8.360 nan 0.000 0.405 488 L N 3.474 124.357 121.223 -0.566 0.000 2.346 488 L HA 0.496 4.600 4.340 -0.393 0.000 0.276 488 L C -1.234 174.951 176.870 -1.141 0.000 1.006 488 L CA -0.989 53.425 54.840 -0.710 0.000 0.817 488 L CB 0.961 42.626 42.059 -0.657 0.000 1.272 488 L HN 0.542 nan 8.230 nan 0.000 0.421 489 Y N 2.251 122.115 120.300 -0.726 0.000 2.327 489 Y HA 0.464 4.777 4.550 -0.395 0.000 0.325 489 Y C -0.540 175.023 175.900 -0.562 0.000 0.999 489 Y CA -0.657 57.105 58.100 -0.563 0.000 1.195 489 Y CB 1.192 39.512 38.460 -0.234 0.000 1.132 489 Y HN 0.268 nan 8.280 nan 0.000 0.455 490 F N 2.184 122.089 119.950 -0.075 0.000 2.404 490 F HA 0.345 4.640 4.527 -0.386 0.000 0.339 490 F C 0.385 176.187 175.800 0.003 0.000 1.105 490 F CA -1.194 56.697 58.000 -0.181 0.000 1.087 490 F CB 0.931 39.742 39.000 -0.316 0.000 1.143 490 F HN 0.477 nan 8.300 nan 0.000 0.491 491 N N 2.432 121.270 118.700 0.229 0.000 2.667 491 N HA -0.256 4.248 4.740 -0.393 0.000 0.263 491 N C -0.362 175.199 175.510 0.085 0.000 1.038 491 N CA 1.235 54.380 53.050 0.158 0.000 0.749 491 N CB -1.243 37.352 38.487 0.180 0.000 0.892 491 N HN 0.769 nan 8.380 nan 0.000 0.546 492 D N -0.956 119.473 120.400 0.049 0.000 2.689 492 D HA -0.158 4.246 4.640 -0.393 0.000 0.237 492 D C 0.969 177.259 176.300 -0.016 0.000 1.148 492 D CA 2.724 56.718 54.000 -0.010 0.000 0.656 492 D CB -1.267 39.519 40.800 -0.024 0.000 1.050 492 D HN 1.071 nan 8.370 nan 0.000 0.426 493 G N -1.484 107.330 108.800 0.023 0.000 2.143 493 G HA2 -0.373 3.351 3.960 -0.393 0.000 0.249 493 G HA3 -0.373 3.351 3.960 -0.393 0.000 0.249 493 G C 1.234 176.162 174.900 0.046 0.000 0.981 493 G CA 0.950 46.072 45.100 0.037 0.000 0.665 493 G HN 0.556 nan 8.290 nan 0.000 0.528 494 T N -1.049 113.557 114.554 0.086 0.000 2.746 494 T HA 0.179 4.293 4.350 -0.393 0.000 0.267 494 T C 1.321 176.107 174.700 0.143 0.000 1.039 494 T CA 1.882 64.051 62.100 0.115 0.000 1.142 494 T CB 0.025 68.983 68.868 0.150 0.000 0.866 494 T HN 1.544 nan 8.240 nan 0.000 0.444 495 V N -0.741 119.285 119.914 0.188 0.000 2.876 495 V HA 0.879 4.763 4.120 -0.393 0.000 0.312 495 V C -1.546 174.581 176.094 0.056 0.000 1.085 495 V CA -1.133 61.278 62.300 0.185 0.000 0.945 495 V CB 1.816 33.808 31.823 0.283 0.000 1.017 495 V HN 0.287 nan 8.190 nan 0.000 0.428 496 A N 6.828 129.592 122.820 -0.094 0.000 2.355 496 A HA 0.950 5.034 4.320 -0.393 0.000 0.324 496 A C -0.612 176.792 177.584 -0.301 0.000 1.117 496 A CA -0.734 51.064 52.037 -0.399 0.000 0.785 496 A CB 1.780 20.482 19.000 -0.498 0.000 1.254 496 A HN 1.588 nan 8.150 nan 0.000 0.453 497 M N 2.280 121.635 119.600 -0.409 0.000 2.183 497 M HA 0.439 4.683 4.480 -0.393 0.000 0.277 497 M C -1.605 174.559 176.300 -0.228 0.000 0.995 497 M CA 0.005 55.191 55.300 -0.191 0.000 0.969 497 M CB 1.820 34.445 32.600 0.043 0.000 1.659 497 M HN 0.604 nan 8.290 nan 0.000 0.462 498 T N 4.314 118.790 114.554 -0.130 0.000 2.792 498 T HA 0.595 4.709 4.350 -0.393 0.000 0.280 498 T C -0.883 173.827 174.700 0.017 0.000 0.990 498 T CA -0.717 61.359 62.100 -0.039 0.000 0.960 498 T CB 0.906 69.829 68.868 0.092 0.000 0.939 498 T HN 0.646 nan 8.240 nan 0.000 0.439 499 N N 1.931 120.647 118.700 0.027 0.000 2.336 499 N HA 0.344 4.848 4.740 -0.393 0.000 0.290 499 N C -0.346 175.207 175.510 0.072 0.000 1.058 499 N CA -0.551 52.524 53.050 0.041 0.000 0.865 499 N CB 2.390 40.894 38.487 0.028 0.000 1.581 499 N HN 0.712 nan 8.380 nan 0.000 0.480 500 T N -0.749 113.839 114.554 0.057 0.000 2.868 500 T HA 0.710 4.824 4.350 -0.393 0.000 0.292 500 T C -0.044 174.675 174.700 0.031 0.000 1.028 500 T CA -0.297 61.762 62.100 -0.069 0.000 1.059 500 T CB 0.231 69.068 68.868 -0.052 0.000 0.991 500 T HN 0.403 nan 8.240 nan 0.000 0.531 501 F N -1.373 118.307 119.950 -0.449 0.000 2.631 501 F HA 0.769 5.057 4.527 -0.399 0.000 0.308 501 F C -2.075 173.263 175.800 -0.769 0.000 1.097 501 F CA -2.214 55.622 58.000 -0.273 0.000 0.952 501 F CB 1.298 40.263 39.000 -0.058 0.000 1.307 501 F HN 0.451 nan 8.300 nan 0.000 0.450 502 F N 3.326 123.423 119.950 0.245 0.000 2.646 502 F HA 0.515 4.808 4.527 -0.390 0.000 0.364 502 F C -0.182 175.742 175.800 0.206 0.000 1.137 502 F CA -0.785 57.269 58.000 0.091 0.000 1.085 502 F CB 1.665 40.624 39.000 -0.067 0.000 1.331 502 F HN 0.388 nan 8.300 nan 0.000 0.472 503 M N 1.515 121.337 119.600 0.371 0.000 2.202 503 M HA 0.361 4.605 4.480 -0.393 0.000 0.316 503 M C 1.159 177.609 176.300 0.250 0.000 1.138 503 M CA -0.235 55.248 55.300 0.305 0.000 1.151 503 M CB 0.502 33.299 32.600 0.329 0.000 1.422 503 M HN 0.722 nan 8.290 nan 0.000 0.471 504 G N 0.830 109.713 108.800 0.137 0.000 2.647 504 G HA2 -0.019 3.705 3.960 -0.393 0.000 0.234 504 G HA3 -0.019 3.705 3.960 -0.393 0.000 0.234 504 G C -0.274 174.608 174.900 -0.030 0.000 1.252 504 G CA -0.405 44.731 45.100 0.061 0.000 0.846 504 G HN 0.822 nan 8.290 nan 0.000 0.589 505 E N 0.100 120.237 120.200 -0.105 0.000 2.652 505 E HA 0.218 4.332 4.350 -0.393 0.000 0.255 505 E C 1.569 177.769 176.600 -0.666 0.000 0.952 505 E CA 1.218 57.370 56.400 -0.414 0.000 0.947 505 E CB -0.201 29.402 29.700 -0.161 0.000 0.912 505 E HN 1.112 nan 8.360 nan 0.000 0.489 506 G N 3.944 111.833 108.800 -1.518 0.000 2.267 506 G HA2 -0.326 3.399 3.960 -0.393 0.000 0.257 506 G HA3 -0.326 3.399 3.960 -0.393 0.000 0.257 506 G C 0.003 174.789 174.900 -0.190 0.000 0.998 506 G CA 0.513 45.196 45.100 -0.695 0.000 0.620 506 G HN 0.527 nan 8.290 nan 0.000 0.529 507 K N 0.171 120.487 120.400 -0.139 0.000 2.143 507 K HA 0.656 4.740 4.320 -0.393 0.000 0.272 507 K C -0.264 176.579 176.600 0.405 0.000 1.001 507 K CA -0.439 55.898 56.287 0.084 0.000 0.915 507 K CB 1.053 33.571 32.500 0.029 0.000 1.047 507 K HN 0.628 nan 8.250 nan 0.000 0.458 508 Y N -1.230 119.255 120.300 0.309 0.000 2.656 508 Y HA 0.406 4.722 4.550 -0.390 0.000 0.334 508 Y C -3.122 173.032 175.900 0.423 0.000 1.179 508 Y CA -3.406 54.920 58.100 0.377 0.000 1.050 508 Y CB 0.474 39.148 38.460 0.357 0.000 1.308 508 Y HN 0.386 nan 8.280 nan 0.000 0.456 509 P HA 0.078 nan 4.420 nan 0.000 0.262 509 P C -0.231 177.280 177.300 0.352 0.000 1.182 509 P CA 0.787 64.092 63.100 0.342 0.000 0.761 509 P CB 0.316 32.254 31.700 0.396 0.000 0.795 510 H N 0.953 120.028 119.070 0.009 0.000 2.735 510 H HA 0.102 4.426 4.556 -0.386 0.000 0.250 510 H C -0.049 175.241 175.328 -0.064 0.000 0.948 510 H CA 0.283 56.366 56.048 0.058 0.000 1.137 510 H CB 1.089 30.816 29.762 -0.057 0.000 1.440 510 H HN 0.538 nan 8.280 nan 0.000 0.444 511 D N -0.090 120.215 120.400 -0.159 0.000 2.602 511 D HA 0.441 4.845 4.640 -0.393 0.000 0.236 511 D C -0.931 175.134 176.300 -0.392 0.000 1.209 511 D CA -0.646 53.171 54.000 -0.305 0.000 0.831 511 D CB 1.981 42.675 40.800 -0.177 0.000 1.478 511 D HN -0.044 nan 8.370 nan 0.000 0.438 512 I N 0.357 120.686 120.570 -0.401 0.000 2.509 512 I HA 0.327 4.261 4.170 -0.393 0.000 0.293 512 I C -0.571 175.391 176.117 -0.258 0.000 1.020 512 I CA -0.754 60.342 61.300 -0.341 0.000 1.088 512 I CB 1.883 39.681 38.000 -0.338 0.000 1.267 512 I HN 0.284 nan 8.210 nan 0.000 0.430 513 Q N 5.814 125.479 119.800 -0.226 0.000 2.377 513 Q HA 0.669 4.774 4.340 -0.393 0.000 0.271 513 Q C -1.227 174.674 176.000 -0.165 0.000 1.077 513 Q CA -0.846 54.854 55.803 -0.172 0.000 0.820 513 Q CB 3.471 32.128 28.738 -0.136 0.000 1.347 513 Q HN 0.517 nan 8.270 nan 0.000 0.444 514 I N 2.349 122.845 120.570 -0.124 0.000 2.410 514 I HA 0.441 4.375 4.170 -0.393 0.000 0.286 514 I C -0.311 175.769 176.117 -0.061 0.000 1.009 514 I CA -0.946 60.300 61.300 -0.089 0.000 1.111 514 I CB 1.467 39.410 38.000 -0.095 0.000 1.262 514 I HN 0.337 nan 8.210 nan 0.000 0.443 515 V N 1.813 121.713 119.914 -0.024 0.000 3.102 515 V HA 0.875 4.759 4.120 -0.393 0.000 0.312 515 V C -0.596 175.507 176.094 0.015 0.000 1.135 515 V CA -0.364 61.925 62.300 -0.018 0.000 1.022 515 V CB 2.141 33.949 31.823 -0.025 0.000 1.056 515 V HN 0.736 nan 8.190 nan 0.000 0.436 516 T N -0.502 114.051 114.554 -0.002 0.000 2.840 516 T HA 0.433 4.547 4.350 -0.393 0.000 0.317 516 T C -0.797 173.884 174.700 -0.032 0.000 1.401 516 T CA -0.162 61.932 62.100 -0.010 0.000 1.028 516 T CB 2.134 71.040 68.868 0.063 0.000 1.317 516 T HN 0.868 nan 8.240 nan 0.000 0.495 517 D N 1.309 121.665 120.400 -0.074 0.000 2.360 517 D HA 0.137 4.542 4.640 -0.393 0.000 0.210 517 D C 0.960 177.243 176.300 -0.028 0.000 1.047 517 D CA 0.435 54.405 54.000 -0.049 0.000 0.854 517 D CB 0.327 41.092 40.800 -0.058 0.000 0.936 517 D HN 0.716 nan 8.370 nan 0.000 0.514 518 T N -1.208 113.338 114.554 -0.014 0.000 2.901 518 T HA 0.155 4.269 4.350 -0.393 0.000 0.301 518 T C 1.141 175.839 174.700 -0.002 0.000 1.012 518 T CA -0.206 61.893 62.100 -0.002 0.000 1.135 518 T CB 1.854 70.731 68.868 0.014 0.000 0.936 518 T HN -0.057 nan 8.240 nan 0.000 0.539 519 E N 1.276 121.472 120.200 -0.007 0.000 2.122 519 E HA -0.004 4.110 4.350 -0.393 0.000 0.190 519 E C 0.735 177.331 176.600 -0.007 0.000 0.977 519 E CA 0.594 56.989 56.400 -0.007 0.000 0.820 519 E CB 0.269 29.965 29.700 -0.008 0.000 0.770 519 E HN 0.694 nan 8.360 nan 0.000 0.462 520 E N 0.879 121.074 120.200 -0.010 0.000 2.250 520 E HA 0.246 4.360 4.350 -0.393 0.000 0.269 520 E C -2.478 174.114 176.600 -0.013 0.000 1.018 520 E CA -2.455 53.938 56.400 -0.012 0.000 0.873 520 E CB 0.802 30.492 29.700 -0.016 0.000 1.134 520 E HN -0.086 nan 8.360 nan 0.000 0.403 521 P HA 0.057 nan 4.420 nan 0.000 0.276 521 P C 0.272 177.539 177.300 -0.055 0.000 1.264 521 P CA -0.094 62.998 63.100 -0.013 0.000 0.769 521 P CB 0.449 32.145 31.700 -0.006 0.000 0.840 522 L N 3.935 125.098 121.223 -0.099 0.000 2.298 522 L HA 0.383 4.488 4.340 -0.393 0.000 0.209 522 L C -0.144 176.425 176.870 -0.501 0.000 1.084 522 L CA 1.113 55.755 54.840 -0.329 0.000 0.816 522 L CB -0.204 41.570 42.059 -0.475 0.000 0.967 522 L HN 0.084 nan 8.230 nan 0.000 0.460 523 F N 0.272 120.227 119.950 0.009 0.000 2.507 523 F HA 0.444 4.736 4.527 -0.391 0.000 0.325 523 F C 0.158 175.922 175.800 -0.060 0.000 1.116 523 F CA -0.714 57.274 58.000 -0.020 0.000 0.930 523 F CB 1.297 40.166 39.000 -0.219 0.000 1.146 523 F HN -0.154 nan 8.300 nan 0.000 0.447 524 E N 4.541 124.841 120.200 0.166 0.000 2.133 524 E HA 0.399 4.513 4.350 -0.393 0.000 0.274 524 E C -1.258 175.405 176.600 0.105 0.000 0.930 524 E CA -0.582 55.873 56.400 0.092 0.000 0.770 524 E CB 0.959 30.702 29.700 0.071 0.000 1.104 524 E HN 0.652 nan 8.360 nan 0.000 0.403 525 L N 5.432 126.673 121.223 0.030 0.000 2.334 525 L HA 0.184 4.289 4.340 -0.393 0.000 0.286 525 L C 1.368 178.270 176.870 0.054 0.000 1.108 525 L CA -0.257 54.605 54.840 0.036 0.000 0.875 525 L CB 0.406 42.434 42.059 -0.051 0.000 1.246 525 L HN 0.657 nan 8.230 nan 0.000 0.439 526 E N 1.102 121.350 120.200 0.080 0.000 2.077 526 E HA -0.113 4.001 4.350 -0.393 0.000 0.193 526 E C 0.530 177.162 176.600 0.052 0.000 0.989 526 E CA 0.940 57.374 56.400 0.057 0.000 0.800 526 E CB 0.338 30.067 29.700 0.050 0.000 0.746 526 E HN 0.498 nan 8.360 nan 0.000 0.452 527 S N -0.177 115.565 115.700 0.070 0.000 2.572 527 S HA 0.391 4.626 4.470 -0.393 0.000 0.274 527 S C -1.242 173.412 174.600 0.091 0.000 1.150 527 S CA -0.715 57.527 58.200 0.070 0.000 0.944 527 S CB 1.624 64.864 63.200 0.066 0.000 1.071 527 S HN -0.089 nan 8.310 nan 0.000 0.479 528 V N 6.092 126.055 119.914 0.081 0.000 2.525 528 V HA 0.602 4.487 4.120 -0.393 0.000 0.299 528 V C -0.865 175.293 176.094 0.108 0.000 1.034 528 V CA -0.502 61.856 62.300 0.097 0.000 0.863 528 V CB 1.501 33.361 31.823 0.062 0.000 0.999 528 V HN 0.846 nan 8.190 nan 0.000 0.423 529 I N 6.079 126.734 120.570 0.141 0.000 2.468 529 I HA 0.523 4.457 4.170 -0.393 0.000 0.284 529 I C -0.834 175.402 176.117 0.198 0.000 1.038 529 I CA -0.232 61.158 61.300 0.150 0.000 1.083 529 I CB 1.853 39.930 38.000 0.128 0.000 1.223 529 I HN 0.424 nan 8.210 nan 0.000 0.443 530 I N 6.385 127.092 120.570 0.228 0.000 2.389 530 I HA 0.485 4.419 4.170 -0.393 0.000 0.288 530 I C -0.367 175.978 176.117 0.380 0.000 0.999 530 I CA -0.579 60.907 61.300 0.310 0.000 1.129 530 I CB 1.431 39.598 38.000 0.278 0.000 1.288 530 I HN 0.508 nan 8.210 nan 0.000 0.444 531 R N 4.376 125.076 120.500 0.333 0.000 2.670 531 R HA 0.423 4.528 4.340 -0.393 0.000 0.289 531 R C -0.743 175.674 176.300 0.195 0.000 0.965 531 R CA -0.830 55.386 56.100 0.194 0.000 0.899 531 R CB 2.150 32.490 30.300 0.067 0.000 1.173 531 R HN 0.502 nan 8.270 nan 0.000 0.456 532 E N 3.270 123.406 120.200 -0.107 0.000 2.167 532 E HA 0.178 4.292 4.350 -0.393 0.000 0.284 532 E C -0.905 175.483 176.600 -0.353 0.000 1.016 532 E CA -0.555 55.588 56.400 -0.427 0.000 0.817 532 E CB 0.674 30.068 29.700 -0.511 0.000 1.080 532 E HN 0.178 nan 8.360 nan 0.000 0.397 533 L N 3.916 124.936 121.223 -0.339 0.000 2.313 533 L HA 0.523 4.627 4.340 -0.393 0.000 0.268 533 L C -0.127 176.623 176.870 -0.199 0.000 1.010 533 L CA -0.783 53.934 54.840 -0.205 0.000 0.814 533 L CB 1.493 43.473 42.059 -0.130 0.000 1.304 533 L HN 0.567 nan 8.230 nan 0.000 0.441 534 N N -0.224 118.396 118.700 -0.134 0.000 2.329 534 N HA 0.356 4.860 4.740 -0.393 0.000 0.282 534 N C -0.803 174.670 175.510 -0.061 0.000 1.198 534 N CA -0.635 52.352 53.050 -0.104 0.000 0.790 534 N CB 2.070 40.502 38.487 -0.092 0.000 1.579 534 N HN 0.384 nan 8.380 nan 0.000 0.475 535 K N 0.000 120.372 120.400 -0.046 0.000 2.780 535 K HA 0.000 4.084 4.320 -0.393 0.000 0.191 535 K CA 0.000 56.301 56.287 0.024 0.000 0.838 535 K CB 0.000 32.531 32.500 0.052 0.000 1.064 535 K HN 0.000 nan 8.250 nan 0.000 0.543