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 4sli_1_A DATA FIRST_RESID 81 DATA SEQUENCE IPEGILMEKN NVDIAEGQGY SLDQEAGAKY VKAMTQGTII LSYKSTSENG DATA SEQUENCE IQSLFSVGNS TAGNQDRHFH IYITNSGGIG IELRNTDGVF NYTLDRPASV DATA SEQUENCE RALYKGERVF NTVALKADAA NKQCRLFANG ELLATLDKDA FKFISDITGV DATA SEQUENCE DNVTLGGTKR QGKIAYPFGG TIGDIKVYSN ALSDEELIQA TGVTTYGENI DATA SEQUENCE FYAGDVTESN YFRIPSLLTL STGTVISAAD ARYGGTHDSK SKINIAFAKS DATA SEQUENCE TDGGNTWSEP TLPLKFDDYI AKNIDWPRDS VGKNVQIQGS ASYIDPVLLE DATA SEQUENCE DKLTKRIFLF ADLMPAGIGS SNASVGSGFK EVNGKKYLKL RWHKDAGRAY DATA SEQUENCE DYTIREKGVI YNDATNQPTE FRVDGEYNLY QHDTNLTCKQ YDYNFSGNNL DATA SEQUENCE IESKTDVDVN MNIFYKNSVF KAFPTNYLAM RYSDDEGASW SDLDIVSSFK DATA SEQUENCE PEVSKFLVVG PGIGKQISTG ENAGRLLVPL YSKSSAELGF MYSDDHGDNW DATA SEQUENCE TYVEADNLTG GATAEAQIVE MPDGSLKTYL RTGSNCIAEV TSIDGGETWS DATA SEQUENCE DRVPLQGIST TSYGTQLSVI NYSQPIDGKP AIILSSPNAT NGRKNGKIWI DATA SEQUENCE GLVNDTGNTG IDKYSVEWKY SYAVDTPQMG YSYSCLAELP DGQVGLLYEK DATA SEQUENCE YDSWSRNELH LKDILKFEKY SISELTGQA 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 81 I HA 0.000 nan 4.170 nan 0.000 0.288 81 I C 0.000 175.958 176.117 -0.265 0.000 1.063 81 I CA 0.000 61.173 61.300 -0.212 0.000 1.566 81 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 82 P HA 0.259 nan 4.420 nan 0.000 0.272 82 P C -0.839 176.372 177.300 -0.148 0.000 1.240 82 P CA -0.234 62.711 63.100 -0.258 0.000 0.791 82 P CB 0.906 32.423 31.700 -0.305 0.000 0.978 83 E N 0.224 120.374 120.200 -0.082 0.000 2.289 83 E HA 0.460 4.745 4.350 -0.107 0.000 0.278 83 E C 0.820 177.414 176.600 -0.010 0.000 1.032 83 E CA 0.306 56.687 56.400 -0.033 0.000 0.854 83 E CB 0.911 30.598 29.700 -0.022 0.000 1.046 83 E HN 0.842 nan 8.360 nan 0.000 0.409 84 G N 2.684 111.508 108.800 0.040 0.000 2.384 84 G HA2 -0.202 3.693 3.960 -0.107 0.000 0.200 84 G HA3 -0.202 3.693 3.960 -0.107 0.000 0.200 84 G C -0.386 174.527 174.900 0.022 0.000 1.205 84 G CA -0.790 44.364 45.100 0.090 0.000 1.116 84 G HN 0.467 nan 8.290 nan 0.000 0.547 85 I N 2.354 122.858 120.570 -0.111 0.000 2.505 85 I HA 0.163 4.269 4.170 -0.107 0.000 0.287 85 I C 1.649 177.687 176.117 -0.131 0.000 1.104 85 I CA -0.020 61.104 61.300 -0.294 0.000 1.387 85 I CB 0.485 38.275 38.000 -0.351 0.000 1.404 85 I HN 0.418 nan 8.210 nan 0.000 0.528 86 L N 6.243 127.415 121.223 -0.086 0.000 2.307 86 L HA 0.264 4.540 4.340 -0.107 0.000 0.211 86 L C 0.618 177.521 176.870 0.056 0.000 1.099 86 L CA 0.673 55.534 54.840 0.035 0.000 0.816 86 L CB 0.069 42.196 42.059 0.113 0.000 0.952 86 L HN 0.633 nan 8.230 nan 0.000 0.455 87 M N -0.382 119.209 119.600 -0.017 0.000 2.490 87 M HA 0.312 4.728 4.480 -0.107 0.000 0.286 87 M C -2.033 174.236 176.300 -0.052 0.000 1.185 87 M CA -0.402 54.904 55.300 0.010 0.000 0.912 87 M CB 2.991 35.638 32.600 0.078 0.000 1.744 87 M HN -0.082 nan 8.290 nan 0.000 0.494 88 E N 3.119 123.305 120.200 -0.024 0.000 2.335 88 E HA 0.599 4.884 4.350 -0.107 0.000 0.280 88 E C -2.125 174.475 176.600 -0.000 0.000 0.918 88 E CA -0.669 55.707 56.400 -0.040 0.000 0.765 88 E CB 2.339 31.999 29.700 -0.067 0.000 1.218 88 E HN 0.517 nan 8.360 nan 0.000 0.425 89 K N 2.162 122.562 120.400 -0.001 0.000 2.523 89 K HA 0.501 4.756 4.320 -0.107 0.000 0.257 89 K C -1.678 174.916 176.600 -0.011 0.000 0.932 89 K CA -0.652 55.638 56.287 0.005 0.000 0.812 89 K CB 1.552 34.062 32.500 0.017 0.000 1.326 89 K HN 0.528 nan 8.250 nan 0.000 0.433 90 N N 2.440 121.132 118.700 -0.014 0.000 2.265 90 N HA 0.335 5.011 4.740 -0.107 0.000 0.300 90 N C -1.222 174.281 175.510 -0.012 0.000 1.148 90 N CA -0.701 52.342 53.050 -0.012 0.000 0.772 90 N CB 1.483 39.962 38.487 -0.012 0.000 1.434 90 N HN 0.622 nan 8.380 nan 0.000 0.481 91 N N -0.014 118.691 118.700 0.009 0.000 2.650 91 N HA -0.146 4.530 4.740 -0.107 0.000 0.272 91 N C -1.086 174.430 175.510 0.009 0.000 1.058 91 N CA 0.516 53.587 53.050 0.035 0.000 0.765 91 N CB -0.929 37.576 38.487 0.030 0.000 0.902 91 N HN 0.249 nan 8.380 nan 0.000 0.551 92 V N 0.984 120.890 119.914 -0.015 0.000 2.328 92 V HA 0.183 4.239 4.120 -0.107 0.000 0.278 92 V C 0.359 176.456 176.094 0.005 0.000 1.021 92 V CA -0.786 61.441 62.300 -0.122 0.000 0.838 92 V CB 1.696 33.306 31.823 -0.355 0.000 0.999 92 V HN 0.143 nan 8.190 nan 0.000 0.447 93 D N 5.074 125.499 120.400 0.043 0.000 2.308 93 D HA 0.468 5.043 4.640 -0.107 0.000 0.251 93 D C -0.224 176.157 176.300 0.136 0.000 1.127 93 D CA 0.193 54.258 54.000 0.107 0.000 0.876 93 D CB 1.973 42.828 40.800 0.092 0.000 1.176 93 D HN 0.362 nan 8.370 nan 0.000 0.446 94 I N 1.754 122.436 120.570 0.187 0.000 2.418 94 I HA 0.327 4.432 4.170 -0.107 0.000 0.287 94 I C 0.235 176.428 176.117 0.127 0.000 1.008 94 I CA -0.964 60.468 61.300 0.220 0.000 1.104 94 I CB 1.763 39.986 38.000 0.371 0.000 1.264 94 I HN 0.267 nan 8.210 nan 0.000 0.438 95 A N 5.432 128.316 122.820 0.106 0.000 2.450 95 A HA 0.155 4.411 4.320 -0.107 0.000 0.255 95 A C 0.373 177.980 177.584 0.038 0.000 1.096 95 A CA -0.223 51.845 52.037 0.050 0.000 0.778 95 A CB 0.177 19.207 19.000 0.051 0.000 1.031 95 A HN 0.810 nan 8.150 nan 0.000 0.494 96 E N 1.476 121.669 120.200 -0.011 0.000 2.694 96 E HA 0.188 4.474 4.350 -0.107 0.000 0.250 96 E C 1.369 177.976 176.600 0.012 0.000 0.963 96 E CA 1.258 57.646 56.400 -0.021 0.000 0.949 96 E CB -0.084 29.587 29.700 -0.048 0.000 0.911 96 E HN 1.444 nan 8.360 nan 0.000 0.500 97 G N 3.878 112.698 108.800 0.034 0.000 2.179 97 G HA2 -0.307 3.589 3.960 -0.107 0.000 0.260 97 G HA3 -0.307 3.589 3.960 -0.107 0.000 0.260 97 G C 0.880 175.800 174.900 0.033 0.000 0.977 97 G CA 0.491 45.607 45.100 0.028 0.000 0.641 97 G HN 0.577 nan 8.290 nan 0.000 0.533 98 Q N -0.018 119.815 119.800 0.056 0.000 2.204 98 Q HA 0.354 4.630 4.340 -0.107 0.000 0.198 98 Q C 1.787 177.833 176.000 0.076 0.000 0.946 98 Q CA 1.657 57.495 55.803 0.058 0.000 0.859 98 Q CB -0.137 28.643 28.738 0.070 0.000 0.946 98 Q HN 1.820 nan 8.270 nan 0.000 0.474 99 G N 0.752 109.629 108.800 0.129 0.000 2.796 99 G HA2 -0.297 3.599 3.960 -0.107 0.000 0.226 99 G HA3 -0.297 3.599 3.960 -0.107 0.000 0.226 99 G C -1.166 173.862 174.900 0.213 0.000 1.381 99 G CA -0.041 45.151 45.100 0.154 0.000 0.867 99 G HN 0.291 nan 8.290 nan 0.000 0.552 100 Y N -0.120 120.216 120.300 0.061 0.000 2.358 100 Y HA 0.587 5.077 4.550 -0.099 0.000 0.324 100 Y C 0.097 176.024 175.900 0.044 0.000 1.123 100 Y CA -0.061 58.075 58.100 0.061 0.000 1.067 100 Y CB 1.893 40.404 38.460 0.086 0.000 1.230 100 Y HN 1.132 nan 8.280 nan 0.000 0.429 101 S N 5.864 121.407 115.700 -0.262 0.000 2.499 101 S HA 0.376 4.782 4.470 -0.107 0.000 0.275 101 S C 0.146 174.715 174.600 -0.052 0.000 1.257 101 S CA -0.355 57.765 58.200 -0.133 0.000 1.050 101 S CB 0.254 63.355 63.200 -0.165 0.000 0.937 101 S HN 0.813 nan 8.310 nan 0.000 0.490 102 L N 4.021 125.296 121.223 0.086 0.000 2.910 102 L HA 0.252 4.528 4.340 -0.107 0.000 0.252 102 L C 0.792 177.709 176.870 0.078 0.000 1.195 102 L CA -0.158 54.771 54.840 0.148 0.000 1.003 102 L CB 0.093 42.287 42.059 0.225 0.000 1.328 102 L HN 0.550 nan 8.230 nan 0.000 0.540 103 D N 0.979 121.392 120.400 0.022 0.000 2.178 103 D HA -0.203 4.373 4.640 -0.107 0.000 0.201 103 D C 1.842 178.144 176.300 0.003 0.000 0.980 103 D CA 1.196 55.199 54.000 0.005 0.000 0.842 103 D CB 0.115 40.903 40.800 -0.020 0.000 0.948 103 D HN 0.448 nan 8.370 nan 0.000 0.472 104 Q N 0.576 120.379 119.800 0.005 0.000 2.320 104 Q HA 0.085 4.361 4.340 -0.107 0.000 0.201 104 Q C 0.106 176.121 176.000 0.026 0.000 0.910 104 Q CA 0.124 55.931 55.803 0.006 0.000 0.946 104 Q CB -0.065 28.671 28.738 -0.003 0.000 1.062 104 Q HN -0.038 nan 8.270 nan 0.000 0.503 105 E N 0.651 120.879 120.200 0.047 0.000 2.373 105 E HA 0.186 4.471 4.350 -0.107 0.000 0.267 105 E C 0.709 177.333 176.600 0.040 0.000 1.032 105 E CA 0.501 56.938 56.400 0.062 0.000 0.889 105 E CB 1.055 30.812 29.700 0.094 0.000 0.984 105 E HN 0.347 nan 8.360 nan 0.000 0.425 106 A N 3.128 125.974 122.820 0.045 0.000 1.948 106 A HA -0.164 4.091 4.320 -0.107 0.000 0.220 106 A C 1.774 179.376 177.584 0.028 0.000 1.177 106 A CA 2.060 54.118 52.037 0.036 0.000 0.636 106 A CB -0.475 18.561 19.000 0.060 0.000 0.815 106 A HN 0.622 nan 8.150 nan 0.000 0.449 107 G N -1.792 107.060 108.800 0.086 0.000 3.189 107 G HA2 0.347 4.243 3.960 -0.107 0.000 0.225 107 G HA3 0.347 4.243 3.960 -0.107 0.000 0.225 107 G C 1.272 176.216 174.900 0.073 0.000 1.159 107 G CA 0.908 46.102 45.100 0.157 0.000 0.763 107 G HN 0.693 nan 8.290 nan 0.000 0.549 108 A N 2.212 125.044 122.820 0.020 0.000 1.948 108 A HA -0.126 4.130 4.320 -0.107 0.000 0.220 108 A C 2.296 179.862 177.584 -0.030 0.000 1.177 108 A CA 1.992 54.046 52.037 0.027 0.000 0.636 108 A CB -0.312 18.699 19.000 0.018 0.000 0.815 108 A HN 0.515 nan 8.150 nan 0.000 0.449 109 K N -1.821 118.477 120.400 -0.170 0.000 2.147 109 K HA -0.190 4.065 4.320 -0.107 0.000 0.205 109 K C 1.636 178.138 176.600 -0.164 0.000 1.049 109 K CA 1.730 57.882 56.287 -0.225 0.000 0.936 109 K CB -0.523 31.760 32.500 -0.362 0.000 0.722 109 K HN 0.491 nan 8.250 nan 0.000 0.446 110 Y N 1.487 121.822 120.300 0.059 0.000 2.269 110 Y HA -0.023 4.461 4.550 -0.109 0.000 0.294 110 Y C 2.547 178.500 175.900 0.088 0.000 1.120 110 Y CA -0.005 58.135 58.100 0.067 0.000 1.159 110 Y CB -0.635 37.862 38.460 0.062 0.000 1.024 110 Y HN -0.207 nan 8.280 nan 0.000 0.532 111 V N 0.574 120.635 119.914 0.246 0.000 2.392 111 V HA -0.299 3.756 4.120 -0.107 0.000 0.249 111 V C 1.902 178.092 176.094 0.161 0.000 1.059 111 V CA 1.925 64.360 62.300 0.225 0.000 1.051 111 V CB -0.588 31.387 31.823 0.252 0.000 0.658 111 V HN 0.360 nan 8.190 nan 0.000 0.455 112 K N 0.106 120.570 120.400 0.106 0.000 2.515 112 K HA 0.082 4.338 4.320 -0.107 0.000 0.196 112 K C 1.406 178.040 176.600 0.057 0.000 1.038 112 K CA 0.964 57.286 56.287 0.059 0.000 0.967 112 K CB -0.070 32.447 32.500 0.028 0.000 0.780 112 K HN 0.492 nan 8.250 nan 0.000 0.483 113 A N 0.307 123.185 122.820 0.096 0.000 2.603 113 A HA 0.256 4.512 4.320 -0.107 0.000 0.277 113 A C 0.167 177.835 177.584 0.139 0.000 1.158 113 A CA -0.500 51.599 52.037 0.103 0.000 0.962 113 A CB 0.057 19.126 19.000 0.114 0.000 1.189 113 A HN 0.088 nan 8.150 nan 0.000 0.552 114 M N 1.353 121.052 119.600 0.166 0.000 2.261 114 M HA 0.011 4.426 4.480 -0.107 0.000 0.350 114 M C 1.569 178.074 176.300 0.341 0.000 1.343 114 M CA 0.926 56.385 55.300 0.264 0.000 1.003 114 M CB 0.515 33.338 32.600 0.371 0.000 1.848 114 M HN 0.461 nan 8.290 nan 0.000 0.456 115 T N -0.388 114.348 114.554 0.304 0.000 3.057 115 T HA 0.148 4.434 4.350 -0.107 0.000 0.254 115 T C 0.309 175.218 174.700 0.347 0.000 1.094 115 T CA 0.317 62.593 62.100 0.295 0.000 1.088 115 T CB 0.095 69.073 68.868 0.182 0.000 0.934 115 T HN 0.834 nan 8.240 nan 0.000 0.497 116 Q N -1.278 118.657 119.800 0.225 0.000 2.919 116 Q HA 0.597 4.872 4.340 -0.107 0.000 0.323 116 Q C -0.494 175.398 176.000 -0.179 0.000 0.829 116 Q CA -0.949 54.754 55.803 -0.168 0.000 0.803 116 Q CB 0.664 29.365 28.738 -0.062 0.000 1.423 116 Q HN 0.501 nan 8.270 nan 0.000 0.478 117 G N -0.696 107.947 108.800 -0.261 0.000 2.362 117 G HA2 0.416 4.311 3.960 -0.107 0.000 0.288 117 G HA3 0.416 4.311 3.960 -0.107 0.000 0.288 117 G C -1.523 173.346 174.900 -0.051 0.000 1.305 117 G CA -0.176 44.889 45.100 -0.059 0.000 0.910 117 G HN 0.798 nan 8.290 nan 0.000 0.518 118 T N 0.080 114.682 114.554 0.080 0.000 2.916 118 T HA 0.660 4.945 4.350 -0.107 0.000 0.298 118 T C -0.876 173.932 174.700 0.181 0.000 1.031 118 T CA -0.273 61.878 62.100 0.086 0.000 0.993 118 T CB 1.670 70.518 68.868 -0.034 0.000 1.045 118 T HN 0.627 nan 8.240 nan 0.000 0.454 119 I N 2.937 123.593 120.570 0.142 0.000 2.436 119 I HA 0.594 4.700 4.170 -0.107 0.000 0.289 119 I C -0.714 175.445 176.117 0.069 0.000 1.010 119 I CA -0.646 60.693 61.300 0.065 0.000 1.098 119 I CB 1.856 39.845 38.000 -0.018 0.000 1.266 119 I HN 0.599 nan 8.210 nan 0.000 0.434 120 I N 7.917 128.522 120.570 0.059 0.000 2.498 120 I HA 0.710 4.815 4.170 -0.107 0.000 0.290 120 I C -1.591 174.552 176.117 0.043 0.000 1.032 120 I CA -0.664 60.674 61.300 0.064 0.000 1.073 120 I CB 1.247 39.291 38.000 0.073 0.000 1.251 120 I HN 0.625 nan 8.210 nan 0.000 0.426 121 L N 3.884 125.151 121.223 0.074 0.000 2.466 121 L HA 0.673 4.948 4.340 -0.107 0.000 0.258 121 L C -1.218 175.760 176.870 0.181 0.000 0.973 121 L CA -0.600 54.298 54.840 0.097 0.000 0.826 121 L CB 1.899 43.999 42.059 0.068 0.000 1.372 121 L HN 0.507 nan 8.230 nan 0.000 0.409 122 S N 1.477 117.288 115.700 0.185 0.000 2.437 122 S HA 0.803 5.209 4.470 -0.107 0.000 0.305 122 S C -1.044 173.802 174.600 0.410 0.000 1.109 122 S CA -0.321 58.022 58.200 0.238 0.000 1.099 122 S CB 0.616 63.881 63.200 0.108 0.000 1.004 122 S HN 0.762 nan 8.310 nan 0.000 0.475 123 Y N 1.658 122.185 120.300 0.378 0.000 2.625 123 Y HA 0.712 5.207 4.550 -0.092 0.000 0.338 123 Y C -1.180 174.736 175.900 0.026 0.000 1.123 123 Y CA -1.204 57.062 58.100 0.276 0.000 1.046 123 Y CB 1.225 39.745 38.460 0.100 0.000 1.299 123 Y HN 0.582 nan 8.280 nan 0.000 0.464 124 K N 2.294 122.590 120.400 -0.173 0.000 2.613 124 K HA 0.490 4.746 4.320 -0.107 0.000 0.248 124 K C -1.445 175.203 176.600 0.079 0.000 0.959 124 K CA -0.559 55.445 56.287 -0.472 0.000 0.855 124 K CB 1.689 33.489 32.500 -1.168 0.000 1.143 124 K HN 0.826 nan 8.250 nan 0.000 0.437 125 S N 2.237 118.062 115.700 0.208 0.000 2.489 125 S HA 0.150 4.555 4.470 -0.107 0.000 0.277 125 S C 0.679 175.213 174.600 -0.111 0.000 1.230 125 S CA -0.280 57.958 58.200 0.062 0.000 1.053 125 S CB 0.743 64.101 63.200 0.262 0.000 0.955 125 S HN 0.689 nan 8.310 nan 0.000 0.488 126 T N 0.885 115.300 114.554 -0.232 0.000 3.085 126 T HA 0.299 4.584 4.350 -0.107 0.000 0.264 126 T C 0.486 175.096 174.700 -0.150 0.000 1.019 126 T CA -0.366 61.637 62.100 -0.161 0.000 0.910 126 T CB 0.142 68.920 68.868 -0.149 0.000 1.059 126 T HN 0.412 nan 8.240 nan 0.000 0.542 127 S N 0.317 115.909 115.700 -0.180 0.000 2.593 127 S HA 0.449 4.855 4.470 -0.107 0.000 0.297 127 S C 0.352 174.916 174.600 -0.060 0.000 1.112 127 S CA -0.582 57.541 58.200 -0.128 0.000 1.043 127 S CB 1.411 64.507 63.200 -0.174 0.000 1.054 127 S HN 0.137 nan 8.310 nan 0.000 0.516 128 E N 2.019 122.197 120.200 -0.036 0.000 2.465 128 E HA 0.207 4.492 4.350 -0.107 0.000 0.195 128 E C -0.480 176.126 176.600 0.010 0.000 1.028 128 E CA -0.143 56.253 56.400 -0.008 0.000 0.899 128 E CB -0.145 29.549 29.700 -0.011 0.000 1.032 128 E HN 0.502 nan 8.360 nan 0.000 0.468 129 N N 0.579 119.286 118.700 0.011 0.000 2.454 129 N HA -0.027 4.649 4.740 -0.107 0.000 0.254 129 N C 1.327 176.872 175.510 0.058 0.000 1.228 129 N CA 0.528 53.599 53.050 0.034 0.000 0.900 129 N CB 0.924 39.436 38.487 0.042 0.000 1.089 129 N HN 0.105 nan 8.380 nan 0.000 0.449 130 G N 2.352 111.189 108.800 0.060 0.000 2.514 130 G HA2 -0.149 3.747 3.960 -0.107 0.000 0.217 130 G HA3 -0.149 3.747 3.960 -0.107 0.000 0.217 130 G C 0.477 175.425 174.900 0.080 0.000 1.198 130 G CA 0.742 45.882 45.100 0.066 0.000 0.780 130 G HN 0.534 nan 8.290 nan 0.000 0.565 131 I N 0.459 121.081 120.570 0.086 0.000 2.406 131 I HA 0.385 4.491 4.170 -0.107 0.000 0.290 131 I C -0.772 175.433 176.117 0.147 0.000 0.999 131 I CA -0.350 60.985 61.300 0.059 0.000 1.124 131 I CB 1.580 39.515 38.000 -0.107 0.000 1.289 131 I HN 0.221 nan 8.210 nan 0.000 0.441 132 Q N 3.977 123.889 119.800 0.187 0.000 2.337 132 Q HA 0.362 4.638 4.340 -0.107 0.000 0.264 132 Q C -0.656 175.488 176.000 0.240 0.000 1.007 132 Q CA -0.439 55.517 55.803 0.255 0.000 0.727 132 Q CB 2.255 31.180 28.738 0.311 0.000 1.256 132 Q HN 0.524 nan 8.270 nan 0.000 0.467 133 S N 2.619 118.478 115.700 0.264 0.000 2.533 133 S HA 0.076 4.482 4.470 -0.107 0.000 0.282 133 S C 0.774 175.387 174.600 0.022 0.000 1.304 133 S CA -0.272 58.064 58.200 0.226 0.000 1.063 133 S CB 0.554 63.919 63.200 0.275 0.000 0.881 133 S HN 0.471 nan 8.310 nan 0.000 0.493 134 L N 2.610 123.777 121.223 -0.092 0.000 2.168 134 L HA 0.462 4.737 4.340 -0.107 0.000 0.203 134 L C 0.174 177.038 176.870 -0.010 0.000 1.078 134 L CA 1.305 55.981 54.840 -0.273 0.000 0.780 134 L CB -0.456 41.428 42.059 -0.293 0.000 0.939 134 L HN 0.703 nan 8.230 nan 0.000 0.451 135 F N -0.772 119.131 119.950 -0.078 0.000 2.628 135 F HA 0.546 5.012 4.527 -0.101 0.000 0.309 135 F C -0.691 175.128 175.800 0.031 0.000 1.108 135 F CA -0.767 57.236 58.000 0.004 0.000 0.971 135 F CB 1.635 40.664 39.000 0.048 0.000 1.279 135 F HN -0.095 nan 8.300 nan 0.000 0.441 136 S N 3.599 118.845 115.700 -0.758 0.000 2.570 136 S HA 0.917 5.322 4.470 -0.107 0.000 0.270 136 S C -2.162 172.084 174.600 -0.589 0.000 1.149 136 S CA -0.770 57.114 58.200 -0.526 0.000 0.837 136 S CB 1.818 64.883 63.200 -0.225 0.000 1.124 136 S HN 0.784 nan 8.310 nan 0.000 0.465 137 V N 0.859 120.642 119.914 -0.219 0.000 2.668 137 V HA 0.921 4.976 4.120 -0.107 0.000 0.304 137 V C 0.506 176.614 176.094 0.024 0.000 1.071 137 V CA 0.420 62.661 62.300 -0.099 0.000 0.894 137 V CB 1.226 33.045 31.823 -0.007 0.000 1.008 137 V HN 1.586 nan 8.190 nan 0.000 0.425 138 G N 2.927 111.730 108.800 0.006 0.000 2.428 138 G HA2 0.324 4.220 3.960 -0.107 0.000 0.305 138 G HA3 0.324 4.220 3.960 -0.107 0.000 0.305 138 G C -1.807 173.101 174.900 0.013 0.000 1.260 138 G CA -0.598 44.531 45.100 0.048 0.000 0.853 138 G HN 0.555 nan 8.290 nan 0.000 0.480 139 N N 0.310 119.022 118.700 0.019 0.000 2.457 139 N HA 0.349 5.025 4.740 -0.107 0.000 0.250 139 N C 1.237 176.741 175.510 -0.011 0.000 0.982 139 N CA 0.226 53.273 53.050 -0.006 0.000 0.941 139 N CB 1.675 40.151 38.487 -0.018 0.000 1.120 139 N HN 0.568 nan 8.380 nan 0.000 0.505 140 S N 0.944 116.627 115.700 -0.027 0.000 2.603 140 S HA -0.022 4.383 4.470 -0.107 0.000 0.220 140 S C 0.910 175.486 174.600 -0.040 0.000 0.967 140 S CA 0.008 58.184 58.200 -0.041 0.000 0.920 140 S CB -0.626 62.545 63.200 -0.049 0.000 0.773 140 S HN 0.620 nan 8.310 nan 0.000 0.529 141 T N 0.345 114.879 114.554 -0.033 0.000 2.828 141 T HA 0.652 4.938 4.350 -0.107 0.000 0.290 141 T C 0.413 175.092 174.700 -0.035 0.000 1.019 141 T CA -0.318 61.761 62.100 -0.033 0.000 1.031 141 T CB 0.734 69.584 68.868 -0.030 0.000 1.001 141 T HN 0.507 nan 8.240 nan 0.000 0.531 142 A N 0.462 123.262 122.820 -0.034 0.000 2.567 142 A HA 0.485 4.741 4.320 -0.107 0.000 0.240 142 A C 1.747 179.310 177.584 -0.034 0.000 1.053 142 A CA 0.222 52.238 52.037 -0.034 0.000 0.755 142 A CB -1.462 17.520 19.000 -0.031 0.000 0.978 142 A HN 2.369 nan 8.150 nan 0.000 0.507 143 G N 2.035 110.813 108.800 -0.036 0.000 2.189 143 G HA2 -0.322 3.574 3.960 -0.107 0.000 0.267 143 G HA3 -0.322 3.574 3.960 -0.107 0.000 0.267 143 G C 0.298 175.172 174.900 -0.043 0.000 0.975 143 G CA 0.924 46.002 45.100 -0.037 0.000 0.644 143 G HN 0.944 nan 8.290 nan 0.000 0.537 144 N N 0.693 119.368 118.700 -0.041 0.000 2.328 144 N HA 0.179 4.855 4.740 -0.107 0.000 0.247 144 N C 1.940 177.431 175.510 -0.032 0.000 1.165 144 N CA 0.312 53.334 53.050 -0.046 0.000 0.873 144 N CB 0.255 38.716 38.487 -0.043 0.000 1.125 144 N HN 0.552 nan 8.380 nan 0.000 0.513 145 Q N -0.235 119.550 119.800 -0.025 0.000 2.439 145 Q HA -0.114 4.162 4.340 -0.107 0.000 0.211 145 Q C -0.335 175.691 176.000 0.043 0.000 0.978 145 Q CA 1.316 57.125 55.803 0.010 0.000 0.897 145 Q CB 0.031 28.755 28.738 -0.023 0.000 0.956 145 Q HN 0.245 nan 8.270 nan 0.000 0.483 146 D N 0.918 121.274 120.400 -0.073 0.000 2.463 146 D HA 0.169 4.744 4.640 -0.107 0.000 0.224 146 D C -0.357 175.724 176.300 -0.365 0.000 1.174 146 D CA -0.026 53.846 54.000 -0.213 0.000 0.829 146 D CB 0.325 41.033 40.800 -0.154 0.000 0.993 146 D HN 0.181 nan 8.370 nan 0.000 0.497 147 R N 1.780 122.124 120.500 -0.260 0.000 2.335 147 R HA 0.307 4.582 4.340 -0.107 0.000 0.302 147 R C -0.191 176.051 176.300 -0.097 0.000 1.147 147 R CA -0.402 55.563 56.100 -0.224 0.000 1.111 147 R CB 0.656 30.877 30.300 -0.131 0.000 1.122 147 R HN 0.277 nan 8.270 nan 0.000 0.557 148 H N 0.119 119.181 119.070 -0.014 0.000 2.935 148 H HA 0.267 4.759 4.556 -0.107 0.000 0.297 148 H C -1.899 173.520 175.328 0.151 0.000 1.423 148 H CA -0.875 55.193 56.048 0.032 0.000 1.161 148 H CB 1.171 30.915 29.762 -0.030 0.000 1.841 148 H HN 0.280 nan 8.280 nan 0.000 0.506 149 F N 2.976 123.072 119.950 0.243 0.000 2.540 149 F HA 0.530 4.991 4.527 -0.110 0.000 0.317 149 F C -1.372 174.614 175.800 0.310 0.000 1.104 149 F CA -0.277 57.865 58.000 0.236 0.000 0.913 149 F CB 1.694 40.705 39.000 0.019 0.000 1.170 149 F HN 0.875 nan 8.300 nan 0.000 0.450 150 H N 5.538 124.083 119.070 -0.875 0.000 3.046 150 H HA 0.508 5.000 4.556 -0.107 0.000 0.361 150 H C -1.940 173.053 175.328 -0.558 0.000 1.235 150 H CA -1.320 54.327 56.048 -0.667 0.000 1.146 150 H CB 1.284 30.916 29.762 -0.218 0.000 1.859 150 H HN 0.708 nan 8.280 nan 0.000 0.548 151 I N 3.613 123.946 120.570 -0.394 0.000 2.378 151 I HA 0.304 4.409 4.170 -0.107 0.000 0.291 151 I C -0.855 175.120 176.117 -0.237 0.000 0.992 151 I CA -0.940 60.176 61.300 -0.306 0.000 1.154 151 I CB 0.965 38.936 38.000 -0.048 0.000 1.315 151 I HN 0.575 nan 8.210 nan 0.000 0.448 152 Y N 6.259 126.348 120.300 -0.350 0.000 2.638 152 Y HA 0.880 5.367 4.550 -0.105 0.000 0.339 152 Y C -0.932 174.865 175.900 -0.172 0.000 1.084 152 Y CA -1.536 56.419 58.100 -0.242 0.000 1.068 152 Y CB 1.148 39.444 38.460 -0.274 0.000 1.294 152 Y HN 0.463 nan 8.280 nan 0.000 0.480 153 I N -0.374 120.213 120.570 0.029 0.000 3.042 153 I HA 0.919 5.024 4.170 -0.107 0.000 0.310 153 I C -0.543 175.699 176.117 0.208 0.000 1.117 153 I CA -0.983 60.333 61.300 0.028 0.000 1.003 153 I CB 2.588 40.560 38.000 -0.046 0.000 1.228 153 I HN 0.869 nan 8.210 nan 0.000 0.443 154 T N -1.289 113.371 114.554 0.177 0.000 2.942 154 T HA 0.343 4.628 4.350 -0.107 0.000 0.289 154 T C 0.586 175.365 174.700 0.132 0.000 1.044 154 T CA -0.395 61.803 62.100 0.165 0.000 1.023 154 T CB 1.426 70.392 68.868 0.163 0.000 1.123 154 T HN 0.895 nan 8.240 nan 0.000 0.512 155 N N 0.236 119.001 118.700 0.109 0.000 2.573 155 N HA -0.117 4.559 4.740 -0.107 0.000 0.187 155 N C 1.254 176.820 175.510 0.094 0.000 1.107 155 N CA 0.601 53.706 53.050 0.091 0.000 0.918 155 N CB -0.109 38.417 38.487 0.065 0.000 0.966 155 N HN 0.587 nan 8.380 nan 0.000 0.448 156 S N -1.469 114.294 115.700 0.105 0.000 2.572 156 S HA 0.406 4.812 4.470 -0.107 0.000 0.228 156 S C 1.289 175.965 174.600 0.127 0.000 0.963 156 S CA -0.100 58.168 58.200 0.112 0.000 0.939 156 S CB 0.299 63.565 63.200 0.109 0.000 0.804 156 S HN 0.518 nan 8.310 nan 0.000 0.480 157 G N 0.349 109.227 108.800 0.130 0.000 2.157 157 G HA2 -0.124 3.771 3.960 -0.107 0.000 0.248 157 G HA3 -0.124 3.771 3.960 -0.107 0.000 0.248 157 G C 0.427 175.398 174.900 0.118 0.000 0.979 157 G CA -0.280 44.901 45.100 0.136 0.000 0.650 157 G HN 1.071 nan 8.290 nan 0.000 0.529 158 G N -0.740 108.126 108.800 0.110 0.000 2.572 158 G HA2 0.632 4.528 3.960 -0.107 0.000 0.261 158 G HA3 0.632 4.528 3.960 -0.107 0.000 0.261 158 G C -0.302 174.607 174.900 0.016 0.000 1.197 158 G CA 0.009 45.157 45.100 0.080 0.000 0.870 158 G HN 1.093 nan 8.290 nan 0.000 0.548 159 I N -0.121 120.401 120.570 -0.080 0.000 2.802 159 I HA 0.755 4.860 4.170 -0.107 0.000 0.298 159 I C 0.086 175.944 176.117 -0.431 0.000 1.176 159 I CA -0.421 60.725 61.300 -0.257 0.000 1.025 159 I CB 2.176 40.106 38.000 -0.117 0.000 1.243 159 I HN 0.903 nan 8.210 nan 0.000 0.424 160 G N 6.051 114.328 108.800 -0.872 0.000 2.430 160 G HA2 0.552 4.448 3.960 -0.107 0.000 0.300 160 G HA3 0.552 4.448 3.960 -0.107 0.000 0.300 160 G C -1.912 172.547 174.900 -0.736 0.000 1.330 160 G CA -0.479 44.199 45.100 -0.704 0.000 0.813 160 G HN 0.898 nan 8.290 nan 0.000 0.487 161 I N -3.409 117.021 120.570 -0.233 0.000 2.969 161 I HA 0.901 5.007 4.170 -0.107 0.000 0.307 161 I C -1.237 174.953 176.117 0.121 0.000 1.149 161 I CA -1.038 60.199 61.300 -0.105 0.000 1.008 161 I CB 2.755 40.817 38.000 0.104 0.000 1.232 161 I HN 0.463 nan 8.210 nan 0.000 0.435 162 E N 3.937 124.215 120.200 0.130 0.000 2.263 162 E HA 0.484 4.770 4.350 -0.107 0.000 0.268 162 E C -1.648 175.187 176.600 0.392 0.000 0.884 162 E CA -0.675 55.911 56.400 0.310 0.000 0.766 162 E CB 3.181 33.134 29.700 0.420 0.000 1.196 162 E HN 0.527 nan 8.360 nan 0.000 0.416 163 L N 4.222 125.696 121.223 0.419 0.000 2.318 163 L HA 0.520 4.796 4.340 -0.107 0.000 0.277 163 L C -0.946 176.147 176.870 0.372 0.000 1.008 163 L CA -0.409 54.715 54.840 0.474 0.000 0.846 163 L CB 0.477 42.791 42.059 0.425 0.000 1.220 163 L HN 0.454 nan 8.230 nan 0.000 0.423 164 R N 3.450 124.066 120.500 0.193 0.000 2.795 164 R HA 0.352 4.628 4.340 -0.107 0.000 0.275 164 R C -0.691 175.323 176.300 -0.476 0.000 0.981 164 R CA -0.698 55.312 56.100 -0.150 0.000 0.917 164 R CB 2.194 32.322 30.300 -0.287 0.000 1.202 164 R HN 0.570 nan 8.270 nan 0.000 0.469 165 N N 1.048 119.226 118.700 -0.869 0.000 2.604 165 N HA -0.025 4.650 4.740 -0.107 0.000 0.284 165 N C -1.489 173.687 175.510 -0.557 0.000 1.716 165 N CA 0.289 52.870 53.050 -0.781 0.000 0.859 165 N CB 0.660 38.442 38.487 -1.175 0.000 1.403 165 N HN 0.860 nan 8.380 nan 0.000 0.501 166 T N -1.925 112.396 114.554 -0.388 0.000 0.541 166 T HA -0.133 4.153 4.350 -0.107 0.000 0.774 166 T C 0.296 174.864 174.700 -0.221 0.000 0.992 166 T CA 0.200 62.154 62.100 -0.243 0.000 4.077 166 T CB -0.695 68.065 68.868 -0.179 0.000 2.303 166 T HN 0.130 nan 8.240 nan 0.000 0.398 167 D N 2.271 122.597 120.400 -0.124 0.000 2.182 167 D HA 0.003 4.579 4.640 -0.107 0.000 0.201 167 D C 2.257 178.532 176.300 -0.042 0.000 0.986 167 D CA 2.043 56.006 54.000 -0.062 0.000 0.847 167 D CB -0.907 39.879 40.800 -0.022 0.000 0.942 167 D HN 0.986 nan 8.370 nan 0.000 0.467 168 G N 0.093 108.858 108.800 -0.058 0.000 2.484 168 G HA2 -0.076 3.820 3.960 -0.107 0.000 0.218 168 G HA3 -0.076 3.820 3.960 -0.107 0.000 0.218 168 G C 1.687 176.568 174.900 -0.032 0.000 1.130 168 G CA 0.457 45.538 45.100 -0.032 0.000 0.784 168 G HN 0.249 nan 8.290 nan 0.000 0.543 169 V N -0.421 119.433 119.914 -0.100 0.000 2.391 169 V HA 0.404 4.459 4.120 -0.107 0.000 0.237 169 V C 0.375 176.477 176.094 0.014 0.000 1.046 169 V CA 1.381 63.623 62.300 -0.096 0.000 1.053 169 V CB -0.525 31.140 31.823 -0.263 0.000 0.704 169 V HN 0.405 nan 8.190 nan 0.000 0.475 170 F N -0.994 118.888 119.950 -0.113 0.000 2.708 170 F HA 0.684 5.146 4.527 -0.108 0.000 0.309 170 F C -1.416 174.292 175.800 -0.154 0.000 1.120 170 F CA -1.440 56.449 58.000 -0.186 0.000 0.978 170 F CB 1.142 39.841 39.000 -0.502 0.000 1.283 170 F HN -0.073 nan 8.300 nan 0.000 0.439 171 N N 2.215 121.062 118.700 0.244 0.000 2.732 171 N HA 0.251 4.926 4.740 -0.107 0.000 0.247 171 N C -2.305 173.470 175.510 0.442 0.000 1.305 171 N CA -0.388 52.803 53.050 0.235 0.000 0.762 171 N CB 0.418 38.983 38.487 0.131 0.000 1.361 171 N HN 0.611 nan 8.380 nan 0.000 0.545 172 Y N 0.889 121.326 120.300 0.229 0.000 2.326 172 Y HA 0.502 4.987 4.550 -0.108 0.000 0.337 172 Y C 0.961 176.957 175.900 0.160 0.000 1.023 172 Y CA -0.889 57.302 58.100 0.152 0.000 1.143 172 Y CB 1.088 39.607 38.460 0.098 0.000 1.183 172 Y HN 0.339 nan 8.280 nan 0.000 0.485 173 T N 1.561 116.270 114.554 0.259 0.000 2.906 173 T HA 0.783 5.069 4.350 -0.107 0.000 0.295 173 T C -1.427 173.351 174.700 0.130 0.000 1.061 173 T CA -0.855 61.365 62.100 0.199 0.000 1.000 173 T CB 2.239 71.210 68.868 0.172 0.000 1.103 173 T HN 0.373 nan 8.240 nan 0.000 0.486 174 L N 1.816 123.106 121.223 0.111 0.000 2.549 174 L HA 0.751 5.026 4.340 -0.107 0.000 0.259 174 L C -1.962 174.920 176.870 0.020 0.000 0.934 174 L CA -0.143 54.730 54.840 0.055 0.000 0.865 174 L CB 2.057 44.145 42.059 0.049 0.000 1.352 174 L HN 1.148 nan 8.230 nan 0.000 0.410 175 D N 3.196 123.599 120.400 0.005 0.000 2.671 175 D HA 0.424 4.999 4.640 -0.107 0.000 0.273 175 D C -1.549 174.744 176.300 -0.012 0.000 1.264 175 D CA -0.767 53.218 54.000 -0.024 0.000 0.788 175 D CB 2.139 42.959 40.800 0.033 0.000 1.324 175 D HN 0.569 nan 8.370 nan 0.000 0.424 176 R N 0.776 121.266 120.500 -0.017 0.000 2.508 176 R HA 0.400 4.676 4.340 -0.107 0.000 0.283 176 R C -3.005 173.309 176.300 0.024 0.000 1.120 176 R CA -1.300 54.803 56.100 0.004 0.000 0.958 176 R CB 2.384 32.678 30.300 -0.009 0.000 1.215 176 R HN 0.255 nan 8.270 nan 0.000 0.427 177 P HA 0.071 nan 4.420 nan 0.000 0.272 177 P C -0.640 176.712 177.300 0.086 0.000 1.240 177 P CA 0.203 63.350 63.100 0.079 0.000 0.791 177 P CB 0.687 32.444 31.700 0.096 0.000 0.978 178 A N 0.785 123.674 122.820 0.116 0.000 2.596 178 A HA -0.205 4.051 4.320 -0.107 0.000 0.300 178 A C 1.305 178.947 177.584 0.097 0.000 1.495 178 A CA 1.372 53.487 52.037 0.131 0.000 0.769 178 A CB -2.481 16.627 19.000 0.180 0.000 1.047 178 A HN 0.407 nan 8.150 nan 0.000 0.436 179 S N -2.006 113.746 115.700 0.088 0.000 2.497 179 S HA 0.352 4.758 4.470 -0.107 0.000 0.218 179 S C 0.895 175.559 174.600 0.106 0.000 1.023 179 S CA 0.721 58.967 58.200 0.077 0.000 0.913 179 S CB 0.337 63.568 63.200 0.052 0.000 0.800 179 S HN 1.776 nan 8.310 nan 0.000 0.505 180 V N 0.630 120.623 119.914 0.130 0.000 3.141 180 V HA 0.807 4.863 4.120 -0.107 0.000 0.312 180 V C -0.781 175.399 176.094 0.143 0.000 1.157 180 V CA -1.507 60.888 62.300 0.158 0.000 1.041 180 V CB 1.972 33.938 31.823 0.239 0.000 1.071 180 V HN 0.384 nan 8.190 nan 0.000 0.441 181 R N 1.163 121.731 120.500 0.112 0.000 2.930 181 R HA 0.962 5.238 4.340 -0.107 0.000 0.257 181 R C 0.046 176.366 176.300 0.032 0.000 1.107 181 R CA -0.246 55.900 56.100 0.077 0.000 0.999 181 R CB 1.940 32.269 30.300 0.048 0.000 1.209 181 R HN 0.917 nan 8.270 nan 0.000 0.486 182 A N 0.662 123.493 122.820 0.019 0.000 1.997 182 A HA 0.324 4.579 4.320 -0.107 0.000 0.198 182 A C 0.224 177.772 177.584 -0.061 0.000 1.449 182 A CA -0.028 52.005 52.037 -0.007 0.000 0.908 182 A CB 0.412 19.428 19.000 0.027 0.000 0.984 182 A HN 0.492 nan 8.150 nan 0.000 0.487 183 L N -0.791 120.412 121.223 -0.034 0.000 2.401 183 L HA 0.701 4.977 4.340 -0.107 0.000 0.266 183 L C -1.792 175.115 176.870 0.061 0.000 0.991 183 L CA -1.004 53.820 54.840 -0.027 0.000 0.818 183 L CB 2.369 44.403 42.059 -0.043 0.000 1.321 183 L HN 0.299 nan 8.230 nan 0.000 0.413 184 Y N 4.221 124.456 120.300 -0.107 0.000 2.361 184 Y HA 0.331 4.817 4.550 -0.107 0.000 0.328 184 Y C -0.334 175.603 175.900 0.062 0.000 1.044 184 Y CA -1.324 56.760 58.100 -0.027 0.000 1.085 184 Y CB 1.248 39.614 38.460 -0.158 0.000 1.194 184 Y HN 0.662 nan 8.280 nan 0.000 0.438 185 K N 4.817 125.089 120.400 -0.214 0.000 3.148 185 K HA -0.216 4.040 4.320 -0.107 0.000 0.267 185 K C 0.919 177.515 176.600 -0.007 0.000 0.996 185 K CA 1.116 57.352 56.287 -0.085 0.000 0.737 185 K CB -1.493 30.803 32.500 -0.339 0.000 1.308 185 K HN 1.425 nan 8.250 nan 0.000 0.470 186 G N -0.633 108.143 108.800 -0.040 0.000 2.205 186 G HA2 -0.330 3.565 3.960 -0.107 0.000 0.261 186 G HA3 -0.330 3.565 3.960 -0.107 0.000 0.261 186 G C -0.135 174.736 174.900 -0.048 0.000 0.980 186 G CA 0.835 45.894 45.100 -0.068 0.000 0.632 186 G HN 0.491 nan 8.290 nan 0.000 0.533 187 E N -0.077 120.109 120.200 -0.023 0.000 2.288 187 E HA 0.520 4.806 4.350 -0.107 0.000 0.268 187 E C -0.141 176.444 176.600 -0.025 0.000 0.885 187 E CA -1.226 55.166 56.400 -0.014 0.000 0.767 187 E CB 1.186 30.896 29.700 0.016 0.000 1.220 187 E HN 0.067 nan 8.360 nan 0.000 0.427 188 R N 1.261 121.732 120.500 -0.049 0.000 2.489 188 R HA 0.151 4.426 4.340 -0.107 0.000 0.287 188 R C -0.058 176.176 176.300 -0.110 0.000 1.053 188 R CA -0.044 56.000 56.100 -0.094 0.000 1.036 188 R CB 0.140 30.371 30.300 -0.115 0.000 0.966 188 R HN 0.389 nan 8.270 nan 0.000 0.432 189 V N 0.249 120.061 119.914 -0.171 0.000 2.919 189 V HA 0.583 4.638 4.120 -0.107 0.000 0.316 189 V C -0.150 175.823 176.094 -0.201 0.000 1.077 189 V CA -1.210 61.003 62.300 -0.144 0.000 0.977 189 V CB 1.586 33.192 31.823 -0.361 0.000 1.039 189 V HN 0.422 nan 8.190 nan 0.000 0.441 190 F N 2.027 121.966 119.950 -0.018 0.000 2.399 190 F HA 0.520 5.046 4.527 -0.002 0.000 0.342 190 F C 0.602 176.356 175.800 -0.076 0.000 1.106 190 F CA 0.436 58.384 58.000 -0.088 0.000 1.196 190 F CB 0.933 39.926 39.000 -0.012 0.000 1.163 190 F HN 0.647 nan 8.300 nan 0.000 0.547 191 N N -0.012 118.580 118.700 -0.180 0.000 2.292 191 N HA 0.573 5.248 4.740 -0.107 0.000 0.303 191 N C -1.424 174.072 175.510 -0.022 0.000 1.140 191 N CA -0.814 52.174 53.050 -0.104 0.000 0.788 191 N CB 1.935 40.287 38.487 -0.224 0.000 1.361 191 N HN 0.368 nan 8.380 nan 0.000 0.489 192 T N 0.297 114.908 114.554 0.095 0.000 2.809 192 T HA 0.592 4.878 4.350 -0.107 0.000 0.284 192 T C -0.364 174.432 174.700 0.159 0.000 0.992 192 T CA -0.716 61.461 62.100 0.127 0.000 0.957 192 T CB 0.730 69.642 68.868 0.075 0.000 0.942 192 T HN 0.343 nan 8.240 nan 0.000 0.439 193 V N -0.155 119.877 119.914 0.197 0.000 3.126 193 V HA 1.091 5.147 4.120 -0.107 0.000 0.314 193 V C -0.804 175.382 176.094 0.154 0.000 1.138 193 V CA -1.379 61.035 62.300 0.189 0.000 1.034 193 V CB 1.581 33.529 31.823 0.207 0.000 1.075 193 V HN 1.197 nan 8.190 nan 0.000 0.442 194 A N 2.234 125.167 122.820 0.188 0.000 2.566 194 A HA 0.825 5.080 4.320 -0.107 0.000 0.297 194 A C -1.634 176.118 177.584 0.279 0.000 1.059 194 A CA -0.448 51.696 52.037 0.179 0.000 0.691 194 A CB 1.700 20.737 19.000 0.062 0.000 1.282 194 A HN 1.876 nan 8.150 nan 0.000 0.401 195 L N 1.247 122.612 121.223 0.237 0.000 2.365 195 L HA 0.791 5.067 4.340 -0.107 0.000 0.273 195 L C -0.385 176.618 176.870 0.222 0.000 1.000 195 L CA -0.257 54.747 54.840 0.273 0.000 0.819 195 L CB 1.682 43.944 42.059 0.338 0.000 1.284 195 L HN 0.694 nan 8.230 nan 0.000 0.418 196 K N 4.429 124.961 120.400 0.220 0.000 2.413 196 K HA 0.803 5.059 4.320 -0.107 0.000 0.257 196 K C -1.504 175.130 176.600 0.056 0.000 0.946 196 K CA -0.555 55.803 56.287 0.118 0.000 0.823 196 K CB 1.619 34.229 32.500 0.182 0.000 1.109 196 K HN 0.763 nan 8.250 nan 0.000 0.427 197 A N 4.134 126.899 122.820 -0.091 0.000 2.316 197 A HA 0.206 4.462 4.320 -0.107 0.000 0.324 197 A C -0.988 176.547 177.584 -0.082 0.000 1.375 197 A CA -0.611 51.357 52.037 -0.116 0.000 0.882 197 A CB 0.517 19.042 19.000 -0.791 0.000 1.152 197 A HN 0.745 nan 8.150 nan 0.000 0.512 198 D N 3.394 123.747 120.400 -0.079 0.000 2.456 198 D HA 0.482 5.058 4.640 -0.107 0.000 0.219 198 D C 1.208 177.084 176.300 -0.707 0.000 1.126 198 D CA 0.425 54.267 54.000 -0.264 0.000 0.890 198 D CB 1.183 41.892 40.800 -0.152 0.000 1.025 198 D HN 0.450 nan 8.370 nan 0.000 0.511 199 A N 3.838 126.135 122.820 -0.871 0.000 1.883 199 A HA -0.108 4.147 4.320 -0.107 0.000 0.217 199 A C 2.141 179.310 177.584 -0.692 0.000 1.186 199 A CA 1.820 53.105 52.037 -1.254 0.000 0.624 199 A CB -0.577 18.090 19.000 -0.556 0.000 0.822 199 A HN 0.597 nan 8.150 nan 0.000 0.444 200 A N -0.183 122.402 122.820 -0.391 0.000 1.940 200 A HA -0.186 4.070 4.320 -0.107 0.000 0.219 200 A C 1.753 179.205 177.584 -0.220 0.000 1.176 200 A CA 1.778 53.670 52.037 -0.241 0.000 0.631 200 A CB -0.453 18.448 19.000 -0.165 0.000 0.814 200 A HN 0.561 nan 8.150 nan 0.000 0.446 201 N N -0.751 117.801 118.700 -0.246 0.000 2.236 201 N HA 0.064 4.739 4.740 -0.107 0.000 0.196 201 N C -0.623 174.786 175.510 -0.170 0.000 1.114 201 N CA 0.219 53.169 53.050 -0.167 0.000 0.859 201 N CB 0.232 38.650 38.487 -0.115 0.000 0.982 201 N HN 0.424 nan 8.380 nan 0.000 0.493 202 K N 1.043 121.253 120.400 -0.316 0.000 3.451 202 K HA -0.244 4.012 4.320 -0.107 0.000 0.273 202 K C -0.224 176.411 176.600 0.057 0.000 0.944 202 K CA 0.556 56.741 56.287 -0.170 0.000 0.734 202 K CB -1.126 31.361 32.500 -0.023 0.000 1.437 202 K HN 0.417 nan 8.250 nan 0.000 0.454 203 Q N -0.021 119.809 119.800 0.050 0.000 2.377 203 Q HA 0.503 4.779 4.340 -0.107 0.000 0.279 203 Q C -1.460 174.638 176.000 0.163 0.000 1.049 203 Q CA -0.966 54.895 55.803 0.097 0.000 0.825 203 Q CB 2.036 30.778 28.738 0.007 0.000 1.401 203 Q HN 0.373 nan 8.270 nan 0.000 0.404 204 C N 2.102 121.479 119.300 0.128 0.000 2.507 204 C HA 0.746 5.141 4.460 -0.107 0.000 0.319 204 C C -0.665 174.361 174.990 0.060 0.000 1.208 204 C CA -0.629 58.464 59.018 0.124 0.000 1.619 204 C CB 1.185 29.009 27.740 0.139 0.000 2.230 204 C HN 0.773 nan 8.230 nan 0.000 0.492 205 R N 1.948 122.490 120.500 0.071 0.000 2.574 205 R HA 0.655 4.931 4.340 -0.107 0.000 0.288 205 R C -1.640 174.626 176.300 -0.056 0.000 1.004 205 R CA -0.592 55.475 56.100 -0.054 0.000 0.895 205 R CB 1.754 32.011 30.300 -0.073 0.000 1.191 205 R HN 0.630 nan 8.270 nan 0.000 0.444 206 L N 3.577 124.656 121.223 -0.240 0.000 2.317 206 L HA 0.594 4.870 4.340 -0.107 0.000 0.281 206 L C -1.140 175.515 176.870 -0.359 0.000 1.024 206 L CA -0.567 54.197 54.840 -0.126 0.000 0.810 206 L CB 0.972 42.984 42.059 -0.078 0.000 1.240 206 L HN 0.460 nan 8.230 nan 0.000 0.427 207 F N 1.787 121.749 119.950 0.021 0.000 2.588 207 F HA 0.819 5.283 4.527 -0.105 0.000 0.314 207 F C 0.008 175.827 175.800 0.032 0.000 1.069 207 F CA -0.729 57.283 58.000 0.019 0.000 0.931 207 F CB 2.173 41.179 39.000 0.012 0.000 1.260 207 F HN 0.385 nan 8.300 nan 0.000 0.465 208 A N 1.710 124.661 122.820 0.218 0.000 2.532 208 A HA 0.567 4.823 4.320 -0.107 0.000 0.296 208 A C -0.786 176.872 177.584 0.123 0.000 1.058 208 A CA -1.014 51.119 52.037 0.160 0.000 0.729 208 A CB 0.702 19.781 19.000 0.132 0.000 1.285 208 A HN 0.819 nan 8.150 nan 0.000 0.396 209 N N 0.861 119.624 118.700 0.104 0.000 2.716 209 N HA -0.204 4.472 4.740 -0.107 0.000 0.250 209 N C 1.049 176.577 175.510 0.031 0.000 1.033 209 N CA 2.920 56.005 53.050 0.058 0.000 0.727 209 N CB -1.073 37.454 38.487 0.067 0.000 0.950 209 N HN 2.403 nan 8.380 nan 0.000 0.541 210 G N -1.743 107.086 108.800 0.048 0.000 2.157 210 G HA2 -0.290 3.605 3.960 -0.107 0.000 0.248 210 G HA3 -0.290 3.605 3.960 -0.107 0.000 0.248 210 G C -0.356 174.586 174.900 0.070 0.000 0.979 210 G CA 0.500 45.620 45.100 0.035 0.000 0.650 210 G HN 0.460 nan 8.290 nan 0.000 0.529 211 E N -0.648 119.618 120.200 0.110 0.000 2.266 211 E HA 0.534 4.820 4.350 -0.107 0.000 0.268 211 E C -0.632 176.037 176.600 0.114 0.000 0.879 211 E CA -1.115 55.343 56.400 0.096 0.000 0.762 211 E CB 2.194 31.920 29.700 0.044 0.000 1.199 211 E HN 0.308 nan 8.360 nan 0.000 0.422 212 L N 3.572 124.812 121.223 0.028 0.000 2.278 212 L HA 0.183 4.459 4.340 -0.107 0.000 0.287 212 L C 0.265 177.009 176.870 -0.209 0.000 1.072 212 L CA 0.401 55.079 54.840 -0.270 0.000 0.819 212 L CB -0.041 41.880 42.059 -0.231 0.000 1.176 212 L HN 0.621 nan 8.230 nan 0.000 0.435 213 L N 4.859 125.934 121.223 -0.246 0.000 2.168 213 L HA 0.482 4.758 4.340 -0.107 0.000 0.203 213 L C 0.907 177.701 176.870 -0.125 0.000 1.078 213 L CA 0.684 55.445 54.840 -0.131 0.000 0.780 213 L CB -0.421 41.586 42.059 -0.086 0.000 0.939 213 L HN 0.799 nan 8.230 nan 0.000 0.451 214 A N -1.178 121.533 122.820 -0.181 0.000 2.610 214 A HA 0.722 4.978 4.320 -0.107 0.000 0.291 214 A C -1.012 176.486 177.584 -0.143 0.000 1.086 214 A CA -0.385 51.579 52.037 -0.123 0.000 0.677 214 A CB 1.440 20.396 19.000 -0.072 0.000 1.278 214 A HN -0.075 nan 8.150 nan 0.000 0.414 215 T N 0.695 115.194 114.554 -0.090 0.000 2.912 215 T HA 0.616 4.901 4.350 -0.107 0.000 0.299 215 T C -1.493 173.181 174.700 -0.044 0.000 1.052 215 T CA -0.283 61.774 62.100 -0.072 0.000 0.996 215 T CB 1.400 70.226 68.868 -0.070 0.000 1.070 215 T HN 1.131 nan 8.240 nan 0.000 0.465 216 L N 2.810 124.018 121.223 -0.025 0.000 2.409 216 L HA 0.604 4.879 4.340 -0.107 0.000 0.272 216 L C -1.485 175.369 176.870 -0.027 0.000 0.980 216 L CA -0.320 54.500 54.840 -0.033 0.000 0.826 216 L CB 1.617 43.661 42.059 -0.026 0.000 1.268 216 L HN 0.533 nan 8.230 nan 0.000 0.407 217 D N 5.243 125.613 120.400 -0.050 0.000 2.278 217 D HA 0.490 5.065 4.640 -0.107 0.000 0.245 217 D C -0.762 175.492 176.300 -0.077 0.000 1.052 217 D CA -0.431 53.548 54.000 -0.035 0.000 0.834 217 D CB 2.018 42.797 40.800 -0.034 0.000 1.194 217 D HN 0.285 nan 8.370 nan 0.000 0.481 218 K N 1.686 122.062 120.400 -0.041 0.000 2.513 218 K HA 0.187 4.442 4.320 -0.107 0.000 0.251 218 K C 0.116 176.734 176.600 0.029 0.000 0.939 218 K CA -0.611 55.623 56.287 -0.088 0.000 0.793 218 K CB 2.539 34.886 32.500 -0.254 0.000 1.241 218 K HN 0.241 nan 8.250 nan 0.000 0.431 219 D N 1.266 121.678 120.400 0.019 0.000 2.178 219 D HA -0.077 4.498 4.640 -0.107 0.000 0.202 219 D C 0.287 176.644 176.300 0.095 0.000 0.974 219 D CA 0.983 55.012 54.000 0.048 0.000 0.841 219 D CB 0.486 41.304 40.800 0.031 0.000 0.953 219 D HN 0.533 nan 8.370 nan 0.000 0.478 220 A N 1.034 123.925 122.820 0.118 0.000 2.880 220 A HA 0.249 4.505 4.320 -0.107 0.000 0.328 220 A C -0.427 177.285 177.584 0.212 0.000 1.440 220 A CA -0.528 51.601 52.037 0.154 0.000 1.068 220 A CB -0.801 18.292 19.000 0.155 0.000 1.163 220 A HN 0.005 nan 8.150 nan 0.000 0.510 221 F N 2.907 122.895 119.950 0.062 0.000 2.529 221 F HA 0.369 4.830 4.527 -0.109 0.000 0.365 221 F C 0.236 176.048 175.800 0.019 0.000 1.102 221 F CA 0.881 58.920 58.000 0.065 0.000 1.271 221 F CB 0.655 39.663 39.000 0.013 0.000 1.120 221 F HN 0.335 nan 8.300 nan 0.000 0.579 222 K N 6.014 125.979 120.400 -0.726 0.000 2.482 222 K HA 0.510 4.766 4.320 -0.107 0.000 0.257 222 K C -1.512 174.712 176.600 -0.626 0.000 0.969 222 K CA -0.581 55.300 56.287 -0.678 0.000 0.842 222 K CB 2.478 34.254 32.500 -1.206 0.000 1.359 222 K HN 0.586 nan 8.250 nan 0.000 0.441 223 F N 0.035 119.685 119.950 -0.501 0.000 3.262 223 F HA 0.361 4.822 4.527 -0.110 0.000 0.327 223 F C 1.226 176.943 175.800 -0.140 0.000 1.206 223 F CA -0.982 56.816 58.000 -0.336 0.000 0.930 223 F CB 0.331 39.202 39.000 -0.216 0.000 1.513 223 F HN 0.420 nan 8.300 nan 0.000 0.519 224 I N 0.827 120.977 120.570 -0.700 0.000 2.248 224 I HA -0.292 3.814 4.170 -0.107 0.000 0.248 224 I C 2.069 178.140 176.117 -0.077 0.000 1.107 224 I CA 1.905 62.969 61.300 -0.394 0.000 1.373 224 I CB -0.573 37.143 38.000 -0.473 0.000 1.055 224 I HN 0.554 nan 8.210 nan 0.000 0.418 225 S N -0.365 115.343 115.700 0.014 0.000 2.469 225 S HA -0.158 4.247 4.470 -0.107 0.000 0.238 225 S C 1.316 175.958 174.600 0.071 0.000 0.998 225 S CA 1.080 59.319 58.200 0.065 0.000 0.957 225 S CB -0.341 62.922 63.200 0.106 0.000 0.764 225 S HN 0.454 nan 8.310 nan 0.000 0.514 226 D N 0.856 121.305 120.400 0.082 0.000 2.339 226 D HA 0.292 4.867 4.640 -0.107 0.000 0.217 226 D C 0.244 176.687 176.300 0.238 0.000 1.050 226 D CA 0.099 54.195 54.000 0.160 0.000 0.856 226 D CB 0.225 41.092 40.800 0.112 0.000 0.922 226 D HN 0.468 nan 8.370 nan 0.000 0.518 227 I N 1.466 122.124 120.570 0.147 0.000 2.395 227 I HA 0.038 4.144 4.170 -0.107 0.000 0.289 227 I C 0.429 176.549 176.117 0.005 0.000 1.023 227 I CA -0.069 61.264 61.300 0.054 0.000 1.350 227 I CB 1.311 39.334 38.000 0.039 0.000 1.409 227 I HN -0.333 nan 8.210 nan 0.000 0.507 228 T N 4.649 119.178 114.554 -0.041 0.000 2.794 228 T HA 0.315 4.601 4.350 -0.107 0.000 0.296 228 T C 0.898 175.579 174.700 -0.031 0.000 0.949 228 T CA 0.260 62.340 62.100 -0.033 0.000 1.101 228 T CB 0.993 69.829 68.868 -0.053 0.000 0.905 228 T HN 1.055 nan 8.240 nan 0.000 0.516 229 G N 2.618 111.408 108.800 -0.017 0.000 2.198 229 G HA2 -0.227 3.669 3.960 -0.107 0.000 0.257 229 G HA3 -0.227 3.669 3.960 -0.107 0.000 0.257 229 G C 0.214 175.106 174.900 -0.014 0.000 1.042 229 G CA -0.264 44.826 45.100 -0.017 0.000 0.791 229 G HN 0.776 nan 8.290 nan 0.000 0.502 230 V N 1.141 121.051 119.914 -0.007 0.000 2.617 230 V HA 0.322 4.377 4.120 -0.107 0.000 0.304 230 V C 1.145 177.234 176.094 -0.009 0.000 1.040 230 V CA 1.384 63.681 62.300 -0.004 0.000 1.149 230 V CB 1.247 33.072 31.823 0.003 0.000 0.914 230 V HN 0.679 nan 8.190 nan 0.000 0.487 231 D N 1.830 122.221 120.400 -0.014 0.000 2.563 231 D HA 0.129 4.705 4.640 -0.107 0.000 0.256 231 D C -0.180 176.106 176.300 -0.024 0.000 1.400 231 D CA -0.275 53.714 54.000 -0.019 0.000 0.800 231 D CB -0.141 40.646 40.800 -0.022 0.000 1.145 231 D HN 0.733 nan 8.370 nan 0.000 0.501 232 N N -1.236 117.449 118.700 -0.026 0.000 2.745 232 N HA 0.482 5.158 4.740 -0.107 0.000 0.256 232 N C -2.046 173.436 175.510 -0.047 0.000 1.268 232 N CA -0.895 52.134 53.050 -0.035 0.000 0.887 232 N CB 1.946 40.405 38.487 -0.047 0.000 1.575 232 N HN -0.178 nan 8.380 nan 0.000 0.496 233 V N 0.695 120.583 119.914 -0.043 0.000 2.443 233 V HA 0.670 4.726 4.120 -0.107 0.000 0.293 233 V C -0.709 175.350 176.094 -0.059 0.000 1.021 233 V CA -0.293 61.964 62.300 -0.072 0.000 0.848 233 V CB 1.318 33.169 31.823 0.046 0.000 0.998 233 V HN 0.884 nan 8.190 nan 0.000 0.424 234 T N 5.723 120.187 114.554 -0.150 0.000 2.893 234 T HA 0.678 4.963 4.350 -0.107 0.000 0.293 234 T C -1.052 173.636 174.700 -0.020 0.000 1.027 234 T CA -0.512 61.558 62.100 -0.050 0.000 0.988 234 T CB 2.001 70.830 68.868 -0.065 0.000 1.043 234 T HN 0.221 nan 8.240 nan 0.000 0.461 235 L N 2.073 123.373 121.223 0.129 0.000 2.325 235 L HA 0.687 4.963 4.340 -0.107 0.000 0.278 235 L C 1.225 178.168 176.870 0.121 0.000 1.023 235 L CA 0.632 55.561 54.840 0.149 0.000 0.811 235 L CB 0.869 43.049 42.059 0.201 0.000 1.249 235 L HN 1.022 nan 8.230 nan 0.000 0.431 236 G N 1.957 110.780 108.800 0.038 0.000 2.148 236 G HA2 0.071 3.966 3.960 -0.107 0.000 0.254 236 G HA3 0.071 3.966 3.960 -0.107 0.000 0.254 236 G C 0.370 175.379 174.900 0.181 0.000 0.981 236 G CA 0.397 45.587 45.100 0.149 0.000 0.670 236 G HN 1.371 nan 8.290 nan 0.000 0.528 237 G N -2.770 106.087 108.800 0.096 0.000 2.328 237 G HA2 0.640 4.536 3.960 -0.107 0.000 0.295 237 G HA3 0.640 4.536 3.960 -0.107 0.000 0.295 237 G C -1.012 173.874 174.900 -0.024 0.000 1.413 237 G CA 0.434 45.574 45.100 0.066 0.000 0.817 237 G HN 0.926 nan 8.290 nan 0.000 0.546 238 T N 1.332 115.820 114.554 -0.111 0.000 2.840 238 T HA 0.444 4.730 4.350 -0.107 0.000 0.287 238 T C -0.160 174.374 174.700 -0.277 0.000 0.991 238 T CA -0.584 61.362 62.100 -0.257 0.000 0.964 238 T CB 1.271 69.862 68.868 -0.462 0.000 0.954 238 T HN 0.471 nan 8.240 nan 0.000 0.438 239 K N 3.653 123.930 120.400 -0.205 0.000 2.349 239 K HA 0.328 4.583 4.320 -0.107 0.000 0.289 239 K C 0.064 176.565 176.600 -0.164 0.000 1.064 239 K CA -0.080 56.112 56.287 -0.158 0.000 0.947 239 K CB 0.707 33.145 32.500 -0.103 0.000 1.007 239 K HN 0.360 nan 8.250 nan 0.000 0.478 240 R N 2.882 123.282 120.500 -0.168 0.000 2.473 240 R HA 0.115 4.390 4.340 -0.107 0.000 0.303 240 R C -0.629 175.610 176.300 -0.101 0.000 1.002 240 R CA -0.681 55.339 56.100 -0.134 0.000 0.884 240 R CB 1.536 31.719 30.300 -0.196 0.000 1.173 240 R HN 0.635 nan 8.270 nan 0.000 0.464 241 Q N 0.974 120.733 119.800 -0.070 0.000 2.435 241 Q HA -0.253 4.022 4.340 -0.107 0.000 0.312 241 Q C 0.591 176.554 176.000 -0.061 0.000 1.333 241 Q CA 0.918 56.686 55.803 -0.059 0.000 0.883 241 Q CB -1.249 27.454 28.738 -0.057 0.000 1.170 241 Q HN 1.236 nan 8.270 nan 0.000 0.443 242 G N -0.878 107.885 108.800 -0.063 0.000 2.155 242 G HA2 -0.314 3.581 3.960 -0.107 0.000 0.257 242 G HA3 -0.314 3.581 3.960 -0.107 0.000 0.257 242 G C -0.011 174.850 174.900 -0.065 0.000 0.983 242 G CA 0.817 45.882 45.100 -0.059 0.000 0.676 242 G HN 0.201 nan 8.290 nan 0.000 0.528 243 K N -0.127 120.223 120.400 -0.083 0.000 2.267 243 K HA 0.604 4.860 4.320 -0.107 0.000 0.246 243 K C 0.116 176.649 176.600 -0.111 0.000 0.954 243 K CA -1.167 55.067 56.287 -0.088 0.000 0.824 243 K CB 1.610 34.053 32.500 -0.096 0.000 1.167 243 K HN 0.017 nan 8.250 nan 0.000 0.431 244 I N 2.309 122.822 120.570 -0.094 0.000 2.308 244 I HA 0.154 4.260 4.170 -0.107 0.000 0.293 244 I C 0.591 176.623 176.117 -0.142 0.000 1.078 244 I CA -0.288 60.954 61.300 -0.097 0.000 1.292 244 I CB -0.023 37.953 38.000 -0.041 0.000 1.423 244 I HN 0.529 nan 8.210 nan 0.000 0.493 245 A N 5.713 128.385 122.820 -0.247 0.000 2.269 245 A HA 0.584 4.840 4.320 -0.107 0.000 0.319 245 A C -0.491 176.917 177.584 -0.294 0.000 1.110 245 A CA -0.403 51.385 52.037 -0.416 0.000 0.847 245 A CB 0.202 18.742 19.000 -0.766 0.000 1.161 245 A HN 0.616 nan 8.150 nan 0.000 0.497 246 Y N -2.897 117.353 120.300 -0.083 0.000 3.001 246 Y HA -0.113 4.372 4.550 -0.107 0.000 0.199 246 Y C -2.387 173.530 175.900 0.027 0.000 1.320 246 Y CA 0.236 58.314 58.100 -0.037 0.000 0.974 246 Y CB -2.604 35.818 38.460 -0.063 0.000 1.291 246 Y HN 0.415 nan 8.280 nan 0.000 0.465 247 P HA 0.090 nan 4.420 nan 0.000 0.270 247 P C 0.091 177.499 177.300 0.179 0.000 1.242 247 P CA 0.063 63.240 63.100 0.129 0.000 0.768 247 P CB 0.243 31.977 31.700 0.058 0.000 0.820 248 F N 3.929 123.914 119.950 0.058 0.000 2.370 248 F HA 0.692 5.152 4.527 -0.112 0.000 0.324 248 F C 0.379 176.208 175.800 0.049 0.000 1.116 248 F CA 0.171 58.202 58.000 0.051 0.000 1.123 248 F CB 1.160 40.188 39.000 0.047 0.000 1.238 248 F HN 0.359 nan 8.300 nan 0.000 0.536 249 G N 1.793 110.027 108.800 -0.943 0.000 2.732 249 G HA2 0.595 4.490 3.960 -0.107 0.000 0.295 249 G HA3 0.595 4.490 3.960 -0.107 0.000 0.295 249 G C -0.733 173.513 174.900 -1.091 0.000 1.456 249 G CA -0.131 44.565 45.100 -0.673 0.000 1.050 249 G HN 1.396 nan 8.290 nan 0.000 0.525 250 G N 0.135 108.574 108.800 -0.601 0.000 2.292 250 G HA2 0.456 4.351 3.960 -0.107 0.000 0.194 250 G HA3 0.456 4.351 3.960 -0.107 0.000 0.194 250 G C -0.805 174.171 174.900 0.127 0.000 1.329 250 G CA 0.131 45.049 45.100 -0.302 0.000 1.100 250 G HN 1.129 nan 8.290 nan 0.000 0.470 251 T N 1.207 115.944 114.554 0.306 0.000 2.886 251 T HA 0.583 4.868 4.350 -0.107 0.000 0.292 251 T C -0.552 174.406 174.700 0.431 0.000 1.012 251 T CA -0.392 61.910 62.100 0.336 0.000 0.982 251 T CB 1.557 70.574 68.868 0.247 0.000 1.018 251 T HN 0.522 nan 8.240 nan 0.000 0.451 252 I N 3.545 124.299 120.570 0.308 0.000 2.287 252 I HA 0.257 4.363 4.170 -0.107 0.000 0.290 252 I C 1.608 177.873 176.117 0.246 0.000 1.069 252 I CA -0.108 61.331 61.300 0.231 0.000 1.237 252 I CB 0.390 38.429 38.000 0.066 0.000 1.418 252 I HN 0.928 nan 8.210 nan 0.000 0.481 253 G N 5.314 114.348 108.800 0.390 0.000 2.446 253 G HA2 -0.168 3.728 3.960 -0.107 0.000 0.217 253 G HA3 -0.168 3.728 3.960 -0.107 0.000 0.217 253 G C 0.289 175.220 174.900 0.051 0.000 1.168 253 G CA 0.751 45.967 45.100 0.194 0.000 0.771 253 G HN 0.602 nan 8.290 nan 0.000 0.551 254 D N -2.356 118.083 120.400 0.065 0.000 2.706 254 D HA 0.483 5.058 4.640 -0.107 0.000 0.225 254 D C -1.554 174.765 176.300 0.031 0.000 1.241 254 D CA -0.677 53.337 54.000 0.022 0.000 0.784 254 D CB 1.503 42.298 40.800 -0.009 0.000 1.521 254 D HN 0.066 nan 8.370 nan 0.000 0.461 255 I N 1.664 122.234 120.570 0.001 0.000 2.607 255 I HA 0.491 4.596 4.170 -0.107 0.000 0.290 255 I C -1.656 174.425 176.117 -0.061 0.000 1.129 255 I CA -0.560 60.723 61.300 -0.028 0.000 1.042 255 I CB 1.379 39.355 38.000 -0.040 0.000 1.242 255 I HN 0.300 nan 8.210 nan 0.000 0.421 256 K N 6.539 126.892 120.400 -0.078 0.000 2.471 256 K HA 0.607 4.862 4.320 -0.107 0.000 0.252 256 K C -1.611 174.889 176.600 -0.167 0.000 0.938 256 K CA -0.709 55.485 56.287 -0.154 0.000 0.796 256 K CB 2.767 35.198 32.500 -0.114 0.000 1.161 256 K HN 0.321 nan 8.250 nan 0.000 0.425 257 V N 4.040 123.810 119.914 -0.239 0.000 2.409 257 V HA 0.382 4.438 4.120 -0.107 0.000 0.291 257 V C -1.123 174.870 176.094 -0.169 0.000 1.020 257 V CA -0.865 61.363 62.300 -0.121 0.000 0.848 257 V CB 0.489 32.275 31.823 -0.063 0.000 0.990 257 V HN 0.590 nan 8.190 nan 0.000 0.430 258 Y N 1.866 122.168 120.300 0.004 0.000 2.409 258 Y HA 0.349 4.829 4.550 -0.117 0.000 0.339 258 Y C 1.492 177.405 175.900 0.021 0.000 1.033 258 Y CA -0.551 57.551 58.100 0.003 0.000 1.094 258 Y CB 2.228 40.675 38.460 -0.022 0.000 1.210 258 Y HN 0.668 nan 8.280 nan 0.000 0.456 259 S N -0.071 115.728 115.700 0.166 0.000 2.496 259 S HA -0.027 4.379 4.470 -0.107 0.000 0.224 259 S C 0.320 174.964 174.600 0.073 0.000 0.996 259 S CA -0.030 58.236 58.200 0.110 0.000 0.927 259 S CB -0.490 62.744 63.200 0.057 0.000 0.774 259 S HN 0.743 nan 8.310 nan 0.000 0.524 260 N N 1.758 120.507 118.700 0.083 0.000 2.489 260 N HA 0.491 5.167 4.740 -0.107 0.000 0.284 260 N C -0.926 174.557 175.510 -0.044 0.000 1.158 260 N CA -0.456 52.597 53.050 0.006 0.000 0.965 260 N CB 1.451 39.937 38.487 -0.003 0.000 1.195 260 N HN 0.141 nan 8.380 nan 0.000 0.506 261 A N 2.149 124.917 122.820 -0.087 0.000 2.316 261 A HA 0.390 4.645 4.320 -0.107 0.000 0.311 261 A C 0.659 178.155 177.584 -0.148 0.000 1.339 261 A CA -0.725 51.243 52.037 -0.114 0.000 0.960 261 A CB -0.347 18.586 19.000 -0.113 0.000 1.152 261 A HN 0.667 nan 8.150 nan 0.000 0.547 262 L N 2.129 123.223 121.223 -0.216 0.000 2.472 262 L HA 0.218 4.494 4.340 -0.107 0.000 0.260 262 L C 1.347 178.101 176.870 -0.193 0.000 1.209 262 L CA -0.301 54.383 54.840 -0.260 0.000 0.817 262 L CB 0.746 42.565 42.059 -0.400 0.000 1.106 262 L HN 0.862 nan 8.230 nan 0.000 0.479 263 S N -0.786 114.809 115.700 -0.176 0.000 2.603 263 S HA 0.070 4.475 4.470 -0.107 0.000 0.268 263 S C 0.522 175.026 174.600 -0.160 0.000 1.317 263 S CA -0.799 57.325 58.200 -0.126 0.000 1.012 263 S CB 1.170 64.311 63.200 -0.098 0.000 0.926 263 S HN 0.560 nan 8.310 nan 0.000 0.539 264 D N 1.494 121.857 120.400 -0.063 0.000 2.149 264 D HA -0.100 4.475 4.640 -0.107 0.000 0.198 264 D C 1.733 177.970 176.300 -0.105 0.000 0.990 264 D CA 1.651 55.642 54.000 -0.014 0.000 0.839 264 D CB -0.357 40.560 40.800 0.195 0.000 0.948 264 D HN 0.764 nan 8.370 nan 0.000 0.460 265 E N 1.003 121.159 120.200 -0.073 0.000 2.051 265 E HA -0.145 4.141 4.350 -0.107 0.000 0.192 265 E C 2.024 178.547 176.600 -0.129 0.000 0.991 265 E CA 0.897 57.253 56.400 -0.073 0.000 0.799 265 E CB -0.220 29.448 29.700 -0.053 0.000 0.748 265 E HN 0.422 nan 8.360 nan 0.000 0.449 266 E N 0.329 120.429 120.200 -0.168 0.000 2.110 266 E HA -0.148 4.137 4.350 -0.107 0.000 0.193 266 E C 2.057 178.503 176.600 -0.256 0.000 0.988 266 E CA 0.821 57.106 56.400 -0.191 0.000 0.804 266 E CB -0.121 29.452 29.700 -0.211 0.000 0.745 266 E HN 0.250 nan 8.360 nan 0.000 0.458 267 L N 0.609 121.588 121.223 -0.407 0.000 2.109 267 L HA -0.128 4.147 4.340 -0.107 0.000 0.207 267 L C 2.360 178.982 176.870 -0.413 0.000 1.086 267 L CA 0.297 54.784 54.840 -0.589 0.000 0.760 267 L CB -0.247 41.046 42.059 -1.277 0.000 0.910 267 L HN 0.173 nan 8.230 nan 0.000 0.437 268 I N 0.164 120.569 120.570 -0.275 0.000 2.179 268 I HA -0.285 3.820 4.170 -0.107 0.000 0.242 268 I C 2.622 178.699 176.117 -0.067 0.000 1.088 268 I CA 1.514 62.781 61.300 -0.056 0.000 1.357 268 I CB -0.879 37.129 38.000 0.014 0.000 1.051 268 I HN 0.357 nan 8.210 nan 0.000 0.409 269 Q N 1.404 121.148 119.800 -0.093 0.000 2.050 269 Q HA -0.121 4.154 4.340 -0.107 0.000 0.202 269 Q C 2.238 178.191 176.000 -0.077 0.000 0.980 269 Q CA 2.491 58.247 55.803 -0.078 0.000 0.840 269 Q CB -0.365 28.325 28.738 -0.080 0.000 0.898 269 Q HN 0.423 nan 8.270 nan 0.000 0.424 270 A N -0.295 122.465 122.820 -0.100 0.000 1.877 270 A HA -0.177 4.078 4.320 -0.107 0.000 0.216 270 A C 2.319 179.873 177.584 -0.051 0.000 1.186 270 A CA 2.376 54.366 52.037 -0.078 0.000 0.620 270 A CB -1.336 17.605 19.000 -0.099 0.000 0.822 270 A HN 0.666 nan 8.150 nan 0.000 0.443 271 T N -3.208 111.318 114.554 -0.048 0.000 3.023 271 T HA 0.133 4.419 4.350 -0.107 0.000 0.266 271 T C 1.673 176.371 174.700 -0.003 0.000 1.093 271 T CA 1.197 63.298 62.100 0.002 0.000 1.129 271 T CB -0.465 68.435 68.868 0.053 0.000 0.899 271 T HN 0.408 nan 8.240 nan 0.000 0.491 272 G N 0.887 109.672 108.800 -0.026 0.000 2.776 272 G HA2 0.049 3.944 3.960 -0.107 0.000 0.209 272 G HA3 0.049 3.944 3.960 -0.107 0.000 0.209 272 G C 1.346 176.205 174.900 -0.068 0.000 1.145 272 G CA 0.311 45.384 45.100 -0.044 0.000 0.791 272 G HN 0.484 nan 8.290 nan 0.000 0.530 273 V N 1.066 120.945 119.914 -0.059 0.000 2.759 273 V HA -0.018 4.037 4.120 -0.107 0.000 0.256 273 V C 1.586 177.621 176.094 -0.098 0.000 1.080 273 V CA 1.815 64.073 62.300 -0.070 0.000 1.101 273 V CB -0.681 31.110 31.823 -0.053 0.000 0.698 273 V HN 0.547 nan 8.190 nan 0.000 0.477 274 T N -0.636 113.856 114.554 -0.103 0.000 2.833 274 T HA 0.609 4.895 4.350 -0.107 0.000 0.297 274 T C -0.390 174.119 174.700 -0.319 0.000 1.015 274 T CA -0.334 61.654 62.100 -0.186 0.000 0.963 274 T CB 1.433 70.305 68.868 0.006 0.000 0.955 274 T HN 0.325 nan 8.240 nan 0.000 0.449 275 T N 0.607 114.799 114.554 -0.602 0.000 2.903 275 T HA 0.712 4.998 4.350 -0.107 0.000 0.299 275 T C -1.570 172.530 174.700 -1.000 0.000 1.093 275 T CA -0.851 60.922 62.100 -0.544 0.000 1.002 275 T CB 1.388 70.094 68.868 -0.269 0.000 1.127 275 T HN 0.550 nan 8.240 nan 0.000 0.488 276 Y N 0.343 120.517 120.300 -0.210 0.000 2.406 276 Y HA 0.659 5.141 4.550 -0.113 0.000 0.340 276 Y C 0.969 176.687 175.900 -0.303 0.000 0.975 276 Y CA 0.100 57.927 58.100 -0.454 0.000 1.056 276 Y CB 1.983 40.002 38.460 -0.735 0.000 1.210 276 Y HN 1.453 nan 8.280 nan 0.000 0.448 277 G N 2.352 111.079 108.800 -0.122 0.000 2.750 277 G HA2 -0.033 3.863 3.960 -0.107 0.000 0.228 277 G HA3 -0.033 3.863 3.960 -0.107 0.000 0.228 277 G C -0.769 174.160 174.900 0.048 0.000 1.367 277 G CA -0.097 45.031 45.100 0.047 0.000 0.871 277 G HN 0.904 nan 8.290 nan 0.000 0.560 278 E N -1.262 119.011 120.200 0.122 0.000 2.433 278 E HA 0.626 4.912 4.350 -0.107 0.000 0.273 278 E C -0.568 176.071 176.600 0.064 0.000 0.950 278 E CA -1.119 55.341 56.400 0.100 0.000 0.796 278 E CB 1.364 31.170 29.700 0.177 0.000 1.330 278 E HN 0.642 nan 8.360 nan 0.000 0.455 279 N N 0.047 118.737 118.700 -0.017 0.000 2.456 279 N HA 0.361 5.036 4.740 -0.107 0.000 0.296 279 N C 0.146 175.525 175.510 -0.218 0.000 1.102 279 N CA -0.466 52.534 53.050 -0.083 0.000 0.924 279 N CB 1.775 40.239 38.487 -0.039 0.000 1.186 279 N HN 0.410 nan 8.380 nan 0.000 0.492 280 I N 0.092 120.387 120.570 -0.459 0.000 2.900 280 I HA 0.165 4.271 4.170 -0.107 0.000 0.251 280 I C -0.256 175.381 176.117 -0.801 0.000 1.102 280 I CA 0.481 61.233 61.300 -0.913 0.000 1.457 280 I CB 0.220 37.288 38.000 -1.553 0.000 1.285 280 I HN 0.327 nan 8.210 nan 0.000 0.459 281 F N 1.010 120.665 119.950 -0.492 0.000 2.425 281 F HA 0.471 4.933 4.527 -0.107 0.000 0.331 281 F C -0.372 175.083 175.800 -0.575 0.000 1.085 281 F CA -0.904 56.623 58.000 -0.790 0.000 1.028 281 F CB 1.000 39.084 39.000 -1.527 0.000 1.177 281 F HN -0.015 nan 8.300 nan 0.000 0.487 282 Y N -0.531 119.613 120.300 -0.259 0.000 2.624 282 Y HA 0.752 5.241 4.550 -0.102 0.000 0.334 282 Y C -1.076 174.977 175.900 0.254 0.000 1.155 282 Y CA -2.512 55.608 58.100 0.033 0.000 1.046 282 Y CB 0.596 39.041 38.460 -0.024 0.000 1.316 282 Y HN 0.789 nan 8.280 nan 0.000 0.457 283 A N 1.603 124.630 122.820 0.345 0.000 2.476 283 A HA 0.491 4.747 4.320 -0.107 0.000 0.275 283 A C 1.266 178.958 177.584 0.181 0.000 1.133 283 A CA 0.979 53.104 52.037 0.147 0.000 0.797 283 A CB -1.433 17.574 19.000 0.012 0.000 1.081 283 A HN 2.245 nan 8.150 nan 0.000 0.510 284 G N 2.593 111.421 108.800 0.045 0.000 2.296 284 G HA2 -0.164 3.732 3.960 -0.107 0.000 0.188 284 G HA3 -0.164 3.732 3.960 -0.107 0.000 0.188 284 G C -0.029 174.836 174.900 -0.058 0.000 1.000 284 G CA 0.267 45.416 45.100 0.082 0.000 0.672 284 G HN 1.099 nan 8.290 nan 0.000 0.483 285 D N 0.787 120.918 120.400 -0.448 0.000 2.393 285 D HA 0.371 4.946 4.640 -0.107 0.000 0.246 285 D C 2.017 178.248 176.300 -0.115 0.000 1.275 285 D CA 0.424 54.136 54.000 -0.480 0.000 0.979 285 D CB 0.286 40.557 40.800 -0.882 0.000 1.101 285 D HN 0.820 nan 8.370 nan 0.000 0.505 286 V N -2.670 117.219 119.914 -0.041 0.000 3.241 286 V HA -0.146 3.910 4.120 -0.107 0.000 0.269 286 V C 1.818 177.967 176.094 0.091 0.000 1.151 286 V CA 1.829 64.153 62.300 0.041 0.000 1.158 286 V CB -1.967 29.892 31.823 0.059 0.000 0.764 286 V HN 0.769 nan 8.190 nan 0.000 0.508 287 T N -2.299 112.324 114.554 0.114 0.000 2.995 287 T HA -0.060 4.226 4.350 -0.107 0.000 0.269 287 T C 1.051 175.899 174.700 0.246 0.000 1.091 287 T CA 0.979 63.195 62.100 0.193 0.000 1.128 287 T CB -0.549 68.466 68.868 0.245 0.000 0.891 287 T HN 0.703 nan 8.240 nan 0.000 0.492 288 E N 0.048 120.350 120.200 0.171 0.000 3.070 288 E HA -0.161 4.125 4.350 -0.107 0.000 0.285 288 E C -0.222 176.525 176.600 0.245 0.000 0.972 288 E CA 0.550 57.067 56.400 0.194 0.000 0.915 288 E CB -1.797 28.027 29.700 0.206 0.000 1.466 288 E HN 0.569 nan 8.360 nan 0.000 0.432 289 S N -0.804 114.876 115.700 -0.035 0.000 2.475 289 S HA 0.374 4.779 4.470 -0.107 0.000 0.298 289 S C 0.573 174.865 174.600 -0.514 0.000 1.119 289 S CA -0.504 57.383 58.200 -0.522 0.000 1.085 289 S CB 1.122 63.521 63.200 -1.334 0.000 1.028 289 S HN 0.297 nan 8.310 nan 0.000 0.489 290 N N 1.906 120.286 118.700 -0.532 0.000 2.424 290 N HA 0.121 4.796 4.740 -0.107 0.000 0.178 290 N C -0.967 173.886 175.510 -1.095 0.000 1.060 290 N CA 0.466 53.075 53.050 -0.736 0.000 0.901 290 N CB 0.278 38.245 38.487 -0.867 0.000 0.979 290 N HN 0.562 nan 8.380 nan 0.000 0.451 291 Y N -0.846 119.069 120.300 -0.642 0.000 2.499 291 Y HA 0.494 4.980 4.550 -0.107 0.000 0.347 291 Y C -0.917 174.361 175.900 -1.036 0.000 0.987 291 Y CA -1.027 56.718 58.100 -0.593 0.000 1.044 291 Y CB 1.099 39.339 38.460 -0.368 0.000 1.245 291 Y HN -0.231 nan 8.280 nan 0.000 0.461 292 F N 1.188 121.118 119.950 -0.035 0.000 2.613 292 F HA 0.789 5.251 4.527 -0.108 0.000 0.310 292 F C -0.195 175.572 175.800 -0.056 0.000 1.085 292 F CA -1.104 56.833 58.000 -0.106 0.000 0.945 292 F CB 2.188 41.117 39.000 -0.118 0.000 1.298 292 F HN 0.263 nan 8.300 nan 0.000 0.455 293 R N 1.217 121.781 120.500 0.107 0.000 2.733 293 R HA 0.521 4.796 4.340 -0.107 0.000 0.272 293 R C -1.477 174.854 176.300 0.052 0.000 1.029 293 R CA -0.899 55.240 56.100 0.065 0.000 0.888 293 R CB 2.229 32.523 30.300 -0.010 0.000 1.251 293 R HN 0.673 nan 8.270 nan 0.000 0.464 294 I N -0.023 120.582 120.570 0.060 0.000 7.356 294 I HA -0.153 3.952 4.170 -0.107 0.000 0.126 294 I C -2.304 173.917 176.117 0.173 0.000 1.829 294 I CA -0.190 61.203 61.300 0.154 0.000 2.068 294 I CB -2.089 35.984 38.000 0.122 0.000 3.620 294 I HN 0.417 nan 8.210 nan 0.000 0.179 295 P HA 0.298 nan 4.420 nan 0.000 0.275 295 P C -0.063 177.359 177.300 0.205 0.000 1.228 295 P CA -0.006 63.208 63.100 0.189 0.000 0.786 295 P CB 1.970 33.790 31.700 0.200 0.000 0.927 296 S N 1.934 117.752 115.700 0.197 0.000 2.575 296 S HA 0.639 5.044 4.470 -0.107 0.000 0.278 296 S C -1.566 173.160 174.600 0.211 0.000 1.139 296 S CA -0.584 57.745 58.200 0.215 0.000 0.954 296 S CB 0.364 63.700 63.200 0.226 0.000 1.054 296 S HN 0.369 nan 8.310 nan 0.000 0.483 297 L N 4.854 126.215 121.223 0.229 0.000 2.464 297 L HA 0.906 5.181 4.340 -0.107 0.000 0.266 297 L C -2.018 175.006 176.870 0.257 0.000 0.965 297 L CA -0.495 54.486 54.840 0.236 0.000 0.833 297 L CB 1.885 44.105 42.059 0.269 0.000 1.296 297 L HN 0.717 nan 8.230 nan 0.000 0.405 298 L N 3.209 124.587 121.223 0.259 0.000 2.526 298 L HA 0.631 4.906 4.340 -0.107 0.000 0.263 298 L C -0.983 176.019 176.870 0.221 0.000 0.943 298 L CA 0.149 55.138 54.840 0.247 0.000 0.859 298 L CB 2.537 44.755 42.059 0.266 0.000 1.313 298 L HN 0.640 nan 8.230 nan 0.000 0.406 299 T N 5.485 120.154 114.554 0.192 0.000 2.771 299 T HA 0.545 4.831 4.350 -0.107 0.000 0.291 299 T C 0.205 174.986 174.700 0.134 0.000 0.954 299 T CA -0.272 61.917 62.100 0.148 0.000 1.045 299 T CB 0.392 69.337 68.868 0.128 0.000 0.917 299 T HN 0.431 nan 8.240 nan 0.000 0.484 300 L N 2.313 123.607 121.223 0.117 0.000 2.456 300 L HA 0.235 4.511 4.340 -0.107 0.000 0.257 300 L C 2.064 178.981 176.870 0.077 0.000 1.162 300 L CA -0.609 54.296 54.840 0.109 0.000 0.808 300 L CB 0.642 42.762 42.059 0.101 0.000 1.136 300 L HN 0.790 nan 8.230 nan 0.000 0.466 301 S N -1.682 114.062 115.700 0.073 0.000 2.442 301 S HA -0.168 4.237 4.470 -0.107 0.000 0.236 301 S C 1.555 176.175 174.600 0.034 0.000 1.007 301 S CA 1.245 59.477 58.200 0.052 0.000 0.965 301 S CB -0.725 62.508 63.200 0.054 0.000 0.773 301 S HN 0.900 nan 8.310 nan 0.000 0.504 302 T N -2.939 111.634 114.554 0.032 0.000 3.088 302 T HA 0.467 4.752 4.350 -0.107 0.000 0.259 302 T C 1.689 176.394 174.700 0.010 0.000 1.122 302 T CA 0.902 63.012 62.100 0.017 0.000 1.095 302 T CB -0.276 68.599 68.868 0.013 0.000 0.930 302 T HN 1.110 nan 8.240 nan 0.000 0.508 303 G N 0.549 109.359 108.800 0.016 0.000 2.238 303 G HA2 -0.206 3.689 3.960 -0.107 0.000 0.217 303 G HA3 -0.206 3.689 3.960 -0.107 0.000 0.217 303 G C 0.257 175.152 174.900 -0.008 0.000 0.996 303 G CA -0.049 45.053 45.100 0.005 0.000 0.632 303 G HN 0.702 nan 8.290 nan 0.000 0.503 304 T N 1.560 116.111 114.554 -0.005 0.000 2.916 304 T HA 0.472 4.757 4.350 -0.107 0.000 0.303 304 T C 0.426 175.126 174.700 -0.001 0.000 1.025 304 T CA 0.286 62.371 62.100 -0.026 0.000 1.142 304 T CB 2.178 71.047 68.868 0.001 0.000 0.947 304 T HN 0.591 nan 8.240 nan 0.000 0.544 305 V N 5.296 125.172 119.914 -0.063 0.000 2.435 305 V HA 0.546 4.602 4.120 -0.107 0.000 0.290 305 V C 0.330 176.470 176.094 0.077 0.000 1.030 305 V CA -0.874 61.439 62.300 0.020 0.000 0.881 305 V CB 0.880 32.693 31.823 -0.017 0.000 0.983 305 V HN 0.793 nan 8.190 nan 0.000 0.445 306 I N 2.204 122.886 120.570 0.185 0.000 2.797 306 I HA 1.014 5.120 4.170 -0.107 0.000 0.307 306 I C -0.109 176.106 176.117 0.163 0.000 1.033 306 I CA -0.483 60.902 61.300 0.143 0.000 1.071 306 I CB 2.475 40.623 38.000 0.246 0.000 1.255 306 I HN 0.660 nan 8.210 nan 0.000 0.445 307 S N 2.484 118.165 115.700 -0.031 0.000 2.570 307 S HA 0.961 5.367 4.470 -0.107 0.000 0.270 307 S C -0.849 173.838 174.600 0.145 0.000 1.149 307 S CA -0.483 57.734 58.200 0.029 0.000 0.837 307 S CB 1.755 64.814 63.200 -0.235 0.000 1.124 307 S HN 1.410 nan 8.310 nan 0.000 0.465 308 A N 0.410 123.387 122.820 0.261 0.000 2.594 308 A HA 1.072 5.328 4.320 -0.107 0.000 0.291 308 A C -0.697 176.925 177.584 0.064 0.000 1.105 308 A CA -0.548 51.631 52.037 0.237 0.000 0.694 308 A CB 1.101 20.258 19.000 0.262 0.000 1.291 308 A HN 2.421 nan 8.150 nan 0.000 0.410 309 A N 0.435 123.142 122.820 -0.187 0.000 2.583 309 A HA 0.611 4.867 4.320 -0.107 0.000 0.292 309 A C -1.851 175.620 177.584 -0.188 0.000 1.045 309 A CA -0.669 51.252 52.037 -0.194 0.000 0.672 309 A CB 0.610 19.419 19.000 -0.319 0.000 1.283 309 A HN 0.717 nan 8.150 nan 0.000 0.419 310 D N 1.315 121.674 120.400 -0.069 0.000 2.425 310 D HA 0.460 5.035 4.640 -0.107 0.000 0.247 310 D C 0.376 176.618 176.300 -0.096 0.000 1.147 310 D CA 1.238 55.200 54.000 -0.064 0.000 0.879 310 D CB 1.237 42.010 40.800 -0.046 0.000 1.179 310 D HN 0.842 nan 8.370 nan 0.000 0.456 311 A N 4.155 126.873 122.820 -0.170 0.000 2.582 311 A HA 0.306 4.562 4.320 -0.107 0.000 0.336 311 A C 0.086 177.322 177.584 -0.579 0.000 1.445 311 A CA -0.683 51.086 52.037 -0.448 0.000 0.997 311 A CB 0.158 18.955 19.000 -0.338 0.000 1.148 311 A HN 0.410 nan 8.150 nan 0.000 0.514 312 R N 2.567 122.741 120.500 -0.544 0.000 2.235 312 R HA 0.253 4.529 4.340 -0.107 0.000 0.338 312 R C -0.414 175.673 176.300 -0.354 0.000 1.087 312 R CA -0.090 55.802 56.100 -0.346 0.000 0.948 312 R CB 0.281 30.436 30.300 -0.241 0.000 1.099 312 R HN 0.818 nan 8.270 nan 0.000 0.483 313 Y N 0.786 121.001 120.300 -0.142 0.000 2.220 313 Y HA -0.026 4.460 4.550 -0.107 0.000 0.291 313 Y C 2.142 178.002 175.900 -0.066 0.000 1.129 313 Y CA 0.974 59.053 58.100 -0.034 0.000 1.161 313 Y CB 0.199 38.683 38.460 0.040 0.000 0.997 313 Y HN 0.603 nan 8.280 nan 0.000 0.522 314 G N 0.202 108.836 108.800 -0.277 0.000 3.636 314 G HA2 0.464 4.360 3.960 -0.107 0.000 0.260 314 G HA3 0.464 4.360 3.960 -0.107 0.000 0.260 314 G C 0.456 174.384 174.900 -1.620 0.000 1.014 314 G CA 0.228 44.695 45.100 -1.056 0.000 1.797 314 G HN 0.613 nan 8.290 nan 0.000 0.637 315 G N 0.765 108.818 108.800 -1.245 0.000 2.741 315 G HA2 -0.065 3.831 3.960 -0.107 0.000 0.222 315 G HA3 -0.065 3.831 3.960 -0.107 0.000 0.222 315 G C 0.874 175.266 174.900 -0.846 0.000 1.364 315 G CA 0.311 44.542 45.100 -1.449 0.000 0.866 315 G HN 1.253 nan 8.290 nan 0.000 0.555 316 T N -2.451 111.782 114.554 -0.535 0.000 3.235 316 T HA 0.316 4.601 4.350 -0.107 0.000 0.251 316 T C 0.837 175.369 174.700 -0.280 0.000 1.060 316 T CA 0.860 62.746 62.100 -0.357 0.000 0.949 316 T CB -0.372 68.339 68.868 -0.261 0.000 1.020 316 T HN 0.773 nan 8.240 nan 0.000 0.564 317 H N 1.967 120.904 119.070 -0.220 0.000 2.897 317 H HA 0.223 4.715 4.556 -0.106 0.000 0.347 317 H C 0.250 175.467 175.328 -0.185 0.000 1.068 317 H CA -0.446 55.490 56.048 -0.187 0.000 1.426 317 H CB 0.476 30.116 29.762 -0.204 0.000 1.410 317 H HN 0.275 nan 8.280 nan 0.000 0.597 318 D N 0.890 121.282 120.400 -0.013 0.000 2.384 318 D HA 0.002 4.578 4.640 -0.107 0.000 0.244 318 D C 0.268 176.515 176.300 -0.089 0.000 1.251 318 D CA -0.194 53.767 54.000 -0.065 0.000 0.961 318 D CB 0.544 41.302 40.800 -0.070 0.000 1.116 318 D HN 0.443 nan 8.370 nan 0.000 0.484 319 S N 0.060 115.700 115.700 -0.100 0.000 2.561 319 S HA -0.035 4.371 4.470 -0.107 0.000 0.294 319 S C 0.589 175.101 174.600 -0.146 0.000 1.294 319 S CA 0.678 58.805 58.200 -0.123 0.000 1.055 319 S CB 0.078 63.210 63.200 -0.113 0.000 0.819 319 S HN 0.562 nan 8.310 nan 0.000 0.503 320 K N 0.827 121.124 120.400 -0.172 0.000 2.703 320 K HA -0.059 4.196 4.320 -0.107 0.000 0.716 320 K C -0.853 175.611 176.600 -0.226 0.000 1.042 320 K CA 0.532 56.700 56.287 -0.198 0.000 0.920 320 K CB -1.354 31.039 32.500 -0.177 0.000 2.380 320 K HN 0.654 nan 8.250 nan 0.000 0.359 321 S N 0.799 116.346 115.700 -0.256 0.000 2.671 321 S HA 0.426 4.831 4.470 -0.107 0.000 0.270 321 S C -2.267 172.147 174.600 -0.310 0.000 1.166 321 S CA -0.880 57.144 58.200 -0.293 0.000 0.868 321 S CB 1.270 64.332 63.200 -0.230 0.000 1.190 321 S HN 0.316 nan 8.310 nan 0.000 0.494 322 K N 2.304 122.526 120.400 -0.296 0.000 2.367 322 K HA 0.625 4.880 4.320 -0.107 0.000 0.263 322 K C -1.553 175.065 176.600 0.031 0.000 1.000 322 K CA -0.351 55.817 56.287 -0.197 0.000 0.891 322 K CB -0.245 32.073 32.500 -0.304 0.000 1.117 322 K HN 0.644 nan 8.250 nan 0.000 0.443 323 I N 3.054 123.675 120.570 0.085 0.000 2.656 323 I HA 0.340 4.446 4.170 -0.107 0.000 0.292 323 I C -0.443 175.802 176.117 0.213 0.000 1.144 323 I CA -0.961 60.427 61.300 0.148 0.000 1.038 323 I CB 2.327 40.341 38.000 0.024 0.000 1.244 323 I HN 0.428 nan 8.210 nan 0.000 0.420 324 N N 4.520 123.367 118.700 0.245 0.000 2.469 324 N HA 0.585 5.260 4.740 -0.107 0.000 0.286 324 N C -1.188 174.351 175.510 0.049 0.000 1.275 324 N CA -0.581 52.582 53.050 0.189 0.000 0.790 324 N CB 2.270 40.914 38.487 0.263 0.000 1.446 324 N HN 0.291 nan 8.380 nan 0.000 0.501 325 I N 1.055 121.589 120.570 -0.059 0.000 2.339 325 I HA 0.442 4.547 4.170 -0.107 0.000 0.290 325 I C 0.389 176.439 176.117 -0.111 0.000 0.994 325 I CA -0.899 60.332 61.300 -0.114 0.000 1.191 325 I CB 0.439 38.324 38.000 -0.192 0.000 1.343 325 I HN 0.436 nan 8.210 nan 0.000 0.458 326 A N 6.738 129.473 122.820 -0.142 0.000 2.295 326 A HA 0.788 5.044 4.320 -0.107 0.000 0.318 326 A C -1.119 176.508 177.584 0.072 0.000 1.134 326 A CA -0.326 51.646 52.037 -0.108 0.000 0.827 326 A CB 1.149 19.918 19.000 -0.385 0.000 1.136 326 A HN 0.583 nan 8.150 nan 0.000 0.493 327 F N 0.239 120.295 119.950 0.177 0.000 2.601 327 F HA 0.695 5.158 4.527 -0.106 0.000 0.309 327 F C -0.295 175.741 175.800 0.392 0.000 1.089 327 F CA 0.097 58.284 58.000 0.311 0.000 0.940 327 F CB 1.825 40.940 39.000 0.191 0.000 1.273 327 F HN 0.968 nan 8.300 nan 0.000 0.450 328 A N 4.652 127.212 122.820 -0.434 0.000 2.612 328 A HA 0.740 4.995 4.320 -0.107 0.000 0.293 328 A C -1.870 175.473 177.584 -0.402 0.000 1.075 328 A CA -0.868 50.971 52.037 -0.329 0.000 0.680 328 A CB 1.965 20.748 19.000 -0.361 0.000 1.279 328 A HN 0.871 nan 8.150 nan 0.000 0.411 329 K N -0.425 119.927 120.400 -0.080 0.000 2.482 329 K HA 0.848 5.104 4.320 -0.107 0.000 0.257 329 K C -0.933 175.537 176.600 -0.217 0.000 0.969 329 K CA -0.578 55.682 56.287 -0.045 0.000 0.842 329 K CB 2.146 34.617 32.500 -0.049 0.000 1.359 329 K HN 0.692 nan 8.250 nan 0.000 0.441 330 S N 0.046 115.408 115.700 -0.562 0.000 2.557 330 S HA 0.304 4.710 4.470 -0.107 0.000 0.291 330 S C -0.112 174.228 174.600 -0.434 0.000 1.116 330 S CA -0.483 57.231 58.200 -0.811 0.000 0.992 330 S CB 1.287 63.483 63.200 -1.674 0.000 1.028 330 S HN 0.713 nan 8.310 nan 0.000 0.484 331 T N -0.031 114.338 114.554 -0.309 0.000 3.085 331 T HA 0.240 4.526 4.350 -0.107 0.000 0.264 331 T C -0.098 174.502 174.700 -0.167 0.000 1.019 331 T CA -0.139 61.850 62.100 -0.184 0.000 0.910 331 T CB -0.287 68.510 68.868 -0.118 0.000 1.059 331 T HN 0.611 nan 8.240 nan 0.000 0.542 332 D N 0.473 120.740 120.400 -0.223 0.000 2.891 332 D HA 0.339 4.914 4.640 -0.107 0.000 0.332 332 D C 1.209 177.418 176.300 -0.152 0.000 1.369 332 D CA -0.583 53.322 54.000 -0.160 0.000 0.827 332 D CB -0.290 40.426 40.800 -0.141 0.000 1.141 332 D HN 0.314 nan 8.370 nan 0.000 0.464 333 G N -0.014 108.695 108.800 -0.152 0.000 2.198 333 G HA2 -0.018 3.878 3.960 -0.107 0.000 0.260 333 G HA3 -0.018 3.878 3.960 -0.107 0.000 0.260 333 G C 1.137 175.995 174.900 -0.071 0.000 1.025 333 G CA 0.361 45.411 45.100 -0.083 0.000 0.769 333 G HN 1.493 nan 8.290 nan 0.000 0.507 334 G N -1.423 107.196 108.800 -0.302 0.000 2.132 334 G HA2 -0.304 3.592 3.960 -0.107 0.000 0.234 334 G HA3 -0.304 3.592 3.960 -0.107 0.000 0.234 334 G C 0.950 175.787 174.900 -0.105 0.000 0.989 334 G CA 0.949 45.854 45.100 -0.325 0.000 0.676 334 G HN 0.725 nan 8.290 nan 0.000 0.522 335 N N 0.101 118.695 118.700 -0.177 0.000 2.220 335 N HA 0.066 4.742 4.740 -0.107 0.000 0.182 335 N C 1.373 176.833 175.510 -0.084 0.000 1.023 335 N CA 1.824 54.850 53.050 -0.039 0.000 0.856 335 N CB 0.029 38.492 38.487 -0.041 0.000 0.997 335 N HN 0.853 nan 8.380 nan 0.000 0.429 336 T N -2.577 111.804 114.554 -0.288 0.000 2.907 336 T HA 0.604 4.889 4.350 -0.107 0.000 0.292 336 T C -1.251 173.147 174.700 -0.504 0.000 1.043 336 T CA -0.819 61.156 62.100 -0.207 0.000 1.003 336 T CB 1.581 70.383 68.868 -0.111 0.000 1.084 336 T HN 0.043 nan 8.240 nan 0.000 0.483 337 W N 1.230 122.441 121.300 -0.148 0.000 2.761 337 W HA 0.623 5.217 4.660 -0.111 0.000 0.340 337 W C 0.666 177.099 176.519 -0.143 0.000 1.072 337 W CA -0.738 56.488 57.345 -0.199 0.000 1.215 337 W CB 1.807 31.078 29.460 -0.316 0.000 1.420 337 W HN 1.002 nan 8.180 nan 0.000 0.519 338 S N -0.064 115.682 115.700 0.077 0.000 2.596 338 S HA 0.157 4.562 4.470 -0.107 0.000 0.260 338 S C 0.066 174.704 174.600 0.062 0.000 1.336 338 S CA -0.658 57.574 58.200 0.053 0.000 0.993 338 S CB 0.791 64.024 63.200 0.054 0.000 0.923 338 S HN 0.557 nan 8.310 nan 0.000 0.567 339 E N 2.337 122.580 120.200 0.070 0.000 2.366 339 E HA 0.166 4.452 4.350 -0.107 0.000 0.266 339 E C -1.940 174.720 176.600 0.101 0.000 1.015 339 E CA -1.835 54.610 56.400 0.074 0.000 0.906 339 E CB 0.313 30.061 29.700 0.079 0.000 0.979 339 E HN 0.465 nan 8.360 nan 0.000 0.443 340 P HA -0.017 nan 4.420 nan 0.000 0.269 340 P C -0.633 176.803 177.300 0.226 0.000 1.215 340 P CA -0.132 63.088 63.100 0.200 0.000 0.780 340 P CB 1.037 32.904 31.700 0.279 0.000 0.898 341 T N -0.801 113.933 114.554 0.300 0.000 2.927 341 T HA 0.559 4.844 4.350 -0.107 0.000 0.286 341 T C -0.225 174.588 174.700 0.188 0.000 1.040 341 T CA -0.898 61.347 62.100 0.242 0.000 1.010 341 T CB 0.947 69.988 68.868 0.288 0.000 1.177 341 T HN 0.125 nan 8.240 nan 0.000 0.546 342 L N 1.816 123.093 121.223 0.090 0.000 2.495 342 L HA 0.355 4.630 4.340 -0.107 0.000 0.248 342 L C -2.075 174.710 176.870 -0.141 0.000 1.229 342 L CA -1.934 52.907 54.840 0.002 0.000 0.942 342 L CB 0.373 42.460 42.059 0.046 0.000 1.242 342 L HN 0.520 nan 8.230 nan 0.000 0.484 343 P HA -0.082 nan 4.420 nan 0.000 0.218 343 P C 0.220 177.157 177.300 -0.604 0.000 1.148 343 P CA 0.932 63.649 63.100 -0.638 0.000 0.822 343 P CB 0.446 31.383 31.700 -1.273 0.000 0.784 344 L N 0.087 120.952 121.223 -0.595 0.000 2.372 344 L HA 0.419 4.695 4.340 -0.107 0.000 0.273 344 L C 0.034 176.536 176.870 -0.614 0.000 0.989 344 L CA -0.741 53.564 54.840 -0.891 0.000 0.841 344 L CB 1.001 42.307 42.059 -1.255 0.000 1.225 344 L HN 0.006 nan 8.230 nan 0.000 0.414 345 K N 1.881 122.035 120.400 -0.410 0.000 2.575 345 K HA 0.710 4.966 4.320 -0.107 0.000 0.279 345 K C -1.727 174.843 176.600 -0.051 0.000 0.969 345 K CA -0.759 55.477 56.287 -0.085 0.000 0.868 345 K CB 1.870 34.364 32.500 -0.009 0.000 1.457 345 K HN 0.005 nan 8.250 nan 0.000 0.426 346 F N 0.671 120.780 119.950 0.264 0.000 2.561 346 F HA 0.371 4.833 4.527 -0.107 0.000 0.321 346 F C 0.230 176.122 175.800 0.154 0.000 1.065 346 F CA -0.943 57.221 58.000 0.273 0.000 0.934 346 F CB 2.005 41.151 39.000 0.244 0.000 1.215 346 F HN 0.639 nan 8.300 nan 0.000 0.471 347 D N 0.188 120.836 120.400 0.414 0.000 2.479 347 D HA 0.002 4.577 4.640 -0.107 0.000 0.218 347 D C 1.025 177.299 176.300 -0.043 0.000 1.177 347 D CA 0.329 54.431 54.000 0.170 0.000 0.830 347 D CB 0.229 41.147 40.800 0.197 0.000 1.014 347 D HN 0.550 nan 8.370 nan 0.000 0.503 348 D N -0.157 120.001 120.400 -0.402 0.000 2.178 348 D HA -0.199 4.377 4.640 -0.107 0.000 0.201 348 D C 0.234 176.492 176.300 -0.070 0.000 0.980 348 D CA 0.863 54.503 54.000 -0.600 0.000 0.842 348 D CB -0.139 39.936 40.800 -1.209 0.000 0.948 348 D HN 0.176 nan 8.370 nan 0.000 0.472 349 Y N 0.040 120.243 120.300 -0.162 0.000 2.409 349 Y HA 0.386 4.872 4.550 -0.108 0.000 0.343 349 Y C 0.361 176.280 175.900 0.030 0.000 0.973 349 Y CA -1.602 56.501 58.100 0.005 0.000 1.064 349 Y CB 1.699 40.138 38.460 -0.036 0.000 1.207 349 Y HN -0.181 nan 8.280 nan 0.000 0.452 350 I N 2.921 123.595 120.570 0.173 0.000 2.813 350 I HA 0.290 4.395 4.170 -0.107 0.000 0.287 350 I C -0.024 176.108 176.117 0.025 0.000 1.196 350 I CA -0.090 61.245 61.300 0.059 0.000 1.421 350 I CB 0.544 38.532 38.000 -0.020 0.000 1.365 350 I HN 0.784 nan 8.210 nan 0.000 0.591 351 A N 8.182 130.917 122.820 -0.141 0.000 2.269 351 A HA 0.540 4.796 4.320 -0.107 0.000 0.302 351 A C -0.583 176.956 177.584 -0.075 0.000 1.266 351 A CA -0.449 51.338 52.037 -0.416 0.000 0.894 351 A CB 0.258 18.989 19.000 -0.447 0.000 1.147 351 A HN 0.734 nan 8.150 nan 0.000 0.537 352 K N 2.092 122.546 120.400 0.089 0.000 2.556 352 K HA 0.367 4.622 4.320 -0.107 0.000 0.274 352 K C -1.390 175.359 176.600 0.248 0.000 0.966 352 K CA -0.930 55.437 56.287 0.134 0.000 0.865 352 K CB 1.177 33.676 32.500 -0.001 0.000 1.444 352 K HN 0.445 nan 8.250 nan 0.000 0.433 353 N N 1.966 120.755 118.700 0.149 0.000 2.411 353 N HA 0.268 4.943 4.740 -0.107 0.000 0.259 353 N C -0.962 174.625 175.510 0.129 0.000 1.103 353 N CA -0.172 52.945 53.050 0.111 0.000 0.954 353 N CB 0.989 39.504 38.487 0.046 0.000 1.085 353 N HN 0.530 nan 8.380 nan 0.000 0.485 354 I N 1.224 121.922 120.570 0.213 0.000 2.569 354 I HA 0.200 4.306 4.170 -0.107 0.000 0.290 354 I C -1.202 175.128 176.117 0.355 0.000 1.088 354 I CA -0.836 60.632 61.300 0.279 0.000 1.047 354 I CB 1.994 40.239 38.000 0.408 0.000 1.237 354 I HN 0.198 nan 8.210 nan 0.000 0.421 355 D N 8.072 128.620 120.400 0.245 0.000 2.352 355 D HA 0.084 4.660 4.640 -0.107 0.000 0.245 355 D C -0.753 175.705 176.300 0.264 0.000 1.224 355 D CA 0.226 54.379 54.000 0.254 0.000 0.879 355 D CB 0.732 41.596 40.800 0.107 0.000 1.057 355 D HN 0.391 nan 8.370 nan 0.000 0.491 356 W N 4.749 126.130 121.300 0.135 0.000 2.266 356 W HA 0.136 4.731 4.660 -0.109 0.000 0.317 356 W C -1.964 174.431 176.519 -0.206 0.000 1.310 356 W CA -1.718 55.556 57.345 -0.119 0.000 1.207 356 W CB 0.992 30.166 29.460 -0.477 0.000 1.199 356 W HN 0.208 nan 8.180 nan 0.000 0.544 357 P HA 0.021 nan 4.420 nan 0.000 0.268 357 P C -0.060 177.187 177.300 -0.089 0.000 1.205 357 P CA 0.481 63.343 63.100 -0.396 0.000 0.771 357 P CB 0.762 32.017 31.700 -0.741 0.000 0.858 358 R N 0.887 121.380 120.500 -0.011 0.000 2.509 358 R HA 0.106 4.382 4.340 -0.107 0.000 0.300 358 R C 0.678 176.993 176.300 0.025 0.000 0.985 358 R CA -0.153 55.995 56.100 0.080 0.000 1.092 358 R CB 0.260 30.606 30.300 0.075 0.000 1.237 358 R HN 0.649 nan 8.270 nan 0.000 0.546 359 D N 0.488 120.873 120.400 -0.026 0.000 2.360 359 D HA -0.049 4.527 4.640 -0.107 0.000 0.242 359 D C 0.924 177.225 176.300 0.001 0.000 1.184 359 D CA 0.099 54.084 54.000 -0.024 0.000 0.930 359 D CB 1.017 41.783 40.800 -0.056 0.000 1.161 359 D HN -0.063 nan 8.370 nan 0.000 0.447 360 S N 0.343 116.047 115.700 0.006 0.000 2.440 360 S HA -0.147 4.259 4.470 -0.107 0.000 0.238 360 S C 1.671 176.284 174.600 0.022 0.000 1.010 360 S CA 1.028 59.237 58.200 0.016 0.000 0.972 360 S CB -0.401 62.807 63.200 0.013 0.000 0.774 360 S HN 0.465 nan 8.310 nan 0.000 0.501 361 V N 1.416 121.337 119.914 0.011 0.000 2.484 361 V HA 0.253 4.308 4.120 -0.107 0.000 0.236 361 V C 2.898 179.015 176.094 0.038 0.000 1.062 361 V CA 1.091 63.404 62.300 0.021 0.000 1.081 361 V CB -1.526 30.302 31.823 0.008 0.000 0.751 361 V HN 0.539 nan 8.190 nan 0.000 0.484 362 G N 1.538 110.323 108.800 -0.025 0.000 2.450 362 G HA2 -0.309 3.587 3.960 -0.107 0.000 0.220 362 G HA3 -0.309 3.587 3.960 -0.107 0.000 0.220 362 G C 1.489 176.417 174.900 0.047 0.000 1.130 362 G CA 1.344 46.388 45.100 -0.093 0.000 0.760 362 G HN 0.675 nan 8.290 nan 0.000 0.557 363 K N 0.298 120.777 120.400 0.132 0.000 2.211 363 K HA -0.086 4.170 4.320 -0.107 0.000 0.204 363 K C 1.683 178.617 176.600 0.556 0.000 1.047 363 K CA 1.469 57.990 56.287 0.389 0.000 0.935 363 K CB -0.260 32.383 32.500 0.238 0.000 0.728 363 K HN 0.163 nan 8.250 nan 0.000 0.452 364 N N 1.059 119.959 118.700 0.333 0.000 2.463 364 N HA 0.012 4.688 4.740 -0.107 0.000 0.181 364 N C -0.076 175.554 175.510 0.200 0.000 1.078 364 N CA 0.299 53.507 53.050 0.262 0.000 0.902 364 N CB 0.181 38.734 38.487 0.110 0.000 0.970 364 N HN 0.006 nan 8.380 nan 0.000 0.451 365 V N 2.595 122.718 119.914 0.348 0.000 2.614 365 V HA 0.099 4.155 4.120 -0.107 0.000 0.291 365 V C 0.447 176.813 176.094 0.453 0.000 1.049 365 V CA -0.188 62.311 62.300 0.331 0.000 1.038 365 V CB 1.016 33.087 31.823 0.413 0.000 0.980 365 V HN 0.275 nan 8.190 nan 0.000 0.481 366 Q N 3.915 123.790 119.800 0.124 0.000 2.456 366 Q HA 0.647 4.923 4.340 -0.107 0.000 0.283 366 Q C -1.010 174.996 176.000 0.010 0.000 1.084 366 Q CA -1.075 54.743 55.803 0.026 0.000 0.801 366 Q CB 2.189 30.680 28.738 -0.411 0.000 1.434 366 Q HN 0.547 nan 8.270 nan 0.000 0.419 367 I N 2.674 123.197 120.570 -0.079 0.000 2.668 367 I HA -0.129 3.977 4.170 -0.107 0.000 0.285 367 I C 1.146 177.121 176.117 -0.237 0.000 1.168 367 I CA 0.075 61.266 61.300 -0.181 0.000 1.424 367 I CB 0.622 38.381 38.000 -0.401 0.000 1.377 367 I HN 0.644 nan 8.210 nan 0.000 0.560 368 Q N 5.006 124.690 119.800 -0.193 0.000 2.165 368 Q HA 0.057 4.332 4.340 -0.107 0.000 0.197 368 Q C 1.677 177.531 176.000 -0.244 0.000 0.952 368 Q CA 0.944 56.636 55.803 -0.184 0.000 0.848 368 Q CB 0.154 28.828 28.738 -0.106 0.000 0.931 368 Q HN 0.904 nan 8.270 nan 0.000 0.470 369 G N 0.632 109.247 108.800 -0.309 0.000 3.707 369 G HA2 0.153 4.049 3.960 -0.107 0.000 0.286 369 G HA3 0.153 4.049 3.960 -0.107 0.000 0.286 369 G C -0.154 174.397 174.900 -0.581 0.000 1.112 369 G CA -0.095 44.804 45.100 -0.334 0.000 0.861 369 G HN 0.091 nan 8.290 nan 0.000 0.534 370 S N -0.040 115.144 115.700 -0.859 0.000 2.525 370 S HA 0.756 5.161 4.470 -0.107 0.000 0.290 370 S C 0.467 174.792 174.600 -0.459 0.000 1.152 370 S CA -0.243 57.414 58.200 -0.905 0.000 1.072 370 S CB 1.315 63.768 63.200 -1.245 0.000 1.027 370 S HN 0.533 nan 8.310 nan 0.000 0.500 371 A N 2.786 125.390 122.820 -0.359 0.000 2.304 371 A HA 0.800 5.056 4.320 -0.107 0.000 0.271 371 A C 0.186 177.707 177.584 -0.105 0.000 1.091 371 A CA -0.255 51.587 52.037 -0.325 0.000 0.812 371 A CB 0.364 18.975 19.000 -0.648 0.000 1.056 371 A HN 1.415 nan 8.150 nan 0.000 0.489 372 S N -0.893 114.798 115.700 -0.015 0.000 2.643 372 S HA 0.719 5.125 4.470 -0.107 0.000 0.270 372 S C -1.500 173.044 174.600 -0.094 0.000 1.166 372 S CA -0.661 57.585 58.200 0.077 0.000 0.815 372 S CB 0.642 63.824 63.200 -0.030 0.000 1.139 372 S HN 0.593 nan 8.310 nan 0.000 0.472 373 Y N 0.051 120.379 120.300 0.046 0.000 2.446 373 Y HA 0.832 5.318 4.550 -0.108 0.000 0.345 373 Y C -0.200 175.678 175.900 -0.035 0.000 0.984 373 Y CA -0.893 57.183 58.100 -0.040 0.000 1.058 373 Y CB 1.941 40.318 38.460 -0.138 0.000 1.220 373 Y HN 0.901 nan 8.280 nan 0.000 0.455 374 I N 2.412 123.059 120.570 0.128 0.000 2.787 374 I HA 0.347 4.453 4.170 -0.107 0.000 0.294 374 I C -1.846 174.315 176.117 0.074 0.000 1.365 374 I CA -0.545 60.793 61.300 0.063 0.000 1.029 374 I CB 1.843 39.848 38.000 0.008 0.000 1.313 374 I HN 0.696 nan 8.210 nan 0.000 0.431 375 D N 5.399 125.845 120.400 0.077 0.000 4.465 375 D HA -0.078 4.498 4.640 -0.107 0.000 0.244 375 D C -2.558 173.818 176.300 0.126 0.000 1.062 375 D CA 0.439 54.509 54.000 0.116 0.000 1.227 375 D CB -0.417 40.462 40.800 0.132 0.000 0.829 375 D HN 0.342 nan 8.370 nan 0.000 0.402 376 P HA 0.435 nan 4.420 nan 0.000 0.284 376 P C -0.588 176.831 177.300 0.199 0.000 1.258 376 P CA -0.607 62.578 63.100 0.142 0.000 0.824 376 P CB 1.553 33.318 31.700 0.108 0.000 1.038 377 V N 3.386 123.455 119.914 0.259 0.000 2.577 377 V HA 0.370 4.426 4.120 -0.107 0.000 0.303 377 V C 0.196 176.545 176.094 0.426 0.000 1.042 377 V CA -0.609 61.881 62.300 0.316 0.000 0.872 377 V CB 1.840 33.831 31.823 0.281 0.000 0.998 377 V HN 0.425 nan 8.190 nan 0.000 0.423 378 L N 5.138 126.596 121.223 0.391 0.000 2.334 378 L HA 0.784 5.059 4.340 -0.107 0.000 0.273 378 L C -0.961 176.187 176.870 0.464 0.000 1.013 378 L CA -0.783 54.319 54.840 0.436 0.000 0.816 378 L CB 1.977 44.274 42.059 0.397 0.000 1.278 378 L HN 0.512 nan 8.230 nan 0.000 0.431 379 L N 2.133 123.680 121.223 0.540 0.000 2.545 379 L HA 0.456 4.731 4.340 -0.107 0.000 0.258 379 L C -1.290 175.929 176.870 0.582 0.000 0.942 379 L CA -0.121 55.044 54.840 0.542 0.000 0.855 379 L CB 2.242 44.676 42.059 0.625 0.000 1.374 379 L HN 0.639 nan 8.230 nan 0.000 0.411 380 E N 2.310 122.782 120.200 0.454 0.000 2.212 380 E HA 0.282 4.567 4.350 -0.107 0.000 0.268 380 E C -1.626 175.213 176.600 0.398 0.000 0.902 380 E CA -0.630 56.004 56.400 0.390 0.000 0.779 380 E CB 1.619 31.474 29.700 0.258 0.000 1.172 380 E HN 0.656 nan 8.360 nan 0.000 0.409 381 D N 4.231 124.881 120.400 0.417 0.000 2.443 381 D HA 0.111 4.687 4.640 -0.107 0.000 0.221 381 D C 0.456 176.889 176.300 0.221 0.000 1.097 381 D CA -0.161 54.059 54.000 0.367 0.000 0.865 381 D CB 0.918 42.005 40.800 0.477 0.000 1.034 381 D HN 0.413 nan 8.370 nan 0.000 0.511 382 K N 2.487 122.995 120.400 0.180 0.000 2.280 382 K HA -0.112 4.143 4.320 -0.107 0.000 0.202 382 K C 1.414 178.066 176.600 0.086 0.000 1.047 382 K CA 0.537 56.895 56.287 0.120 0.000 0.942 382 K CB 0.408 32.971 32.500 0.105 0.000 0.739 382 K HN 0.350 nan 8.250 nan 0.000 0.457 383 L N 0.386 121.668 121.223 0.099 0.000 2.068 383 L HA -0.099 4.177 4.340 -0.107 0.000 0.204 383 L C 2.509 179.370 176.870 -0.014 0.000 1.076 383 L CA 1.905 56.771 54.840 0.044 0.000 0.753 383 L CB -1.124 40.974 42.059 0.065 0.000 0.910 383 L HN 0.264 nan 8.230 nan 0.000 0.439 384 T N -5.653 108.892 114.554 -0.015 0.000 3.044 384 T HA 0.061 4.346 4.350 -0.107 0.000 0.250 384 T C 0.938 175.623 174.700 -0.026 0.000 1.081 384 T CA -0.109 61.958 62.100 -0.056 0.000 1.040 384 T CB 0.247 69.062 68.868 -0.088 0.000 0.962 384 T HN 0.083 nan 8.240 nan 0.000 0.506 385 K N 0.004 120.414 120.400 0.017 0.000 3.500 385 K HA -0.164 4.092 4.320 -0.107 0.000 0.313 385 K C 0.334 176.923 176.600 -0.018 0.000 1.338 385 K CA 0.712 57.008 56.287 0.015 0.000 0.963 385 K CB -1.780 30.718 32.500 -0.004 0.000 1.267 385 K HN 0.679 nan 8.250 nan 0.000 0.448 386 R N 1.547 122.017 120.500 -0.051 0.000 2.543 386 R HA 0.399 4.675 4.340 -0.107 0.000 0.277 386 R C 0.726 176.882 176.300 -0.240 0.000 1.074 386 R CA -0.172 55.806 56.100 -0.202 0.000 1.076 386 R CB 0.438 30.543 30.300 -0.326 0.000 0.993 386 R HN 0.322 nan 8.270 nan 0.000 0.459 387 I N 0.207 120.573 120.570 -0.339 0.000 2.693 387 I HA 0.581 4.687 4.170 -0.107 0.000 0.303 387 I C -1.364 174.559 176.117 -0.325 0.000 1.025 387 I CA -1.084 60.129 61.300 -0.146 0.000 1.086 387 I CB 1.738 39.765 38.000 0.046 0.000 1.268 387 I HN 0.402 nan 8.210 nan 0.000 0.440 388 F N 4.411 124.532 119.950 0.285 0.000 2.576 388 F HA 0.676 5.138 4.527 -0.108 0.000 0.313 388 F C -0.798 175.055 175.800 0.088 0.000 1.078 388 F CA -0.879 57.218 58.000 0.161 0.000 0.921 388 F CB 2.091 41.097 39.000 0.010 0.000 1.232 388 F HN 0.364 nan 8.300 nan 0.000 0.459 389 L N 3.420 124.664 121.223 0.034 0.000 2.372 389 L HA 0.692 4.967 4.340 -0.107 0.000 0.274 389 L C -1.808 174.875 176.870 -0.312 0.000 0.988 389 L CA -0.522 54.267 54.840 -0.084 0.000 0.833 389 L CB 0.601 42.456 42.059 -0.339 0.000 1.236 389 L HN 0.423 nan 8.230 nan 0.000 0.410 390 F N 3.948 123.939 119.950 0.069 0.000 2.507 390 F HA 0.940 5.402 4.527 -0.108 0.000 0.327 390 F C 0.461 176.261 175.800 0.001 0.000 1.068 390 F CA -0.182 57.826 58.000 0.013 0.000 0.965 390 F CB 2.046 41.041 39.000 -0.009 0.000 1.192 390 F HN 0.693 nan 8.300 nan 0.000 0.476 391 A N 0.663 123.597 122.820 0.189 0.000 2.597 391 A HA 0.531 4.786 4.320 -0.107 0.000 0.292 391 A C -1.956 175.724 177.584 0.160 0.000 1.057 391 A CA -1.026 51.098 52.037 0.144 0.000 0.674 391 A CB 1.048 20.099 19.000 0.084 0.000 1.278 391 A HN 0.566 nan 8.150 nan 0.000 0.416 392 D N 1.070 121.543 120.400 0.121 0.000 2.350 392 D HA 0.418 4.994 4.640 -0.107 0.000 0.249 392 D C -0.494 175.850 176.300 0.073 0.000 1.119 392 D CA 0.141 54.183 54.000 0.069 0.000 0.886 392 D CB 1.680 42.480 40.800 0.001 0.000 1.195 392 D HN 0.408 nan 8.370 nan 0.000 0.437 393 L N 3.284 124.508 121.223 0.002 0.000 2.276 393 L HA 0.347 4.622 4.340 -0.107 0.000 0.286 393 L C -1.173 175.579 176.870 -0.197 0.000 1.024 393 L CA -0.492 54.214 54.840 -0.224 0.000 0.826 393 L CB 0.930 42.825 42.059 -0.274 0.000 1.211 393 L HN 0.183 nan 8.230 nan 0.000 0.422 394 M N 7.188 126.650 119.600 -0.229 0.000 2.101 394 M HA 0.474 4.890 4.480 -0.107 0.000 0.340 394 M C -2.242 173.932 176.300 -0.211 0.000 1.057 394 M CA -2.180 53.022 55.300 -0.163 0.000 0.984 394 M CB 1.010 33.526 32.600 -0.139 0.000 1.560 394 M HN 0.352 nan 8.290 nan 0.000 0.435 395 P HA 0.087 nan 4.420 nan 0.000 0.271 395 P C -0.463 176.763 177.300 -0.125 0.000 1.244 395 P CA -0.221 62.853 63.100 -0.044 0.000 0.793 395 P CB 0.474 32.266 31.700 0.153 0.000 0.984 396 A N 1.417 124.167 122.820 -0.117 0.000 2.573 396 A HA 0.348 4.603 4.320 -0.107 0.000 0.250 396 A C 1.472 178.955 177.584 -0.168 0.000 1.049 396 A CA 0.845 52.779 52.037 -0.170 0.000 0.767 396 A CB -1.799 17.122 19.000 -0.132 0.000 0.965 396 A HN 0.881 nan 8.150 nan 0.000 0.514 397 G N 1.488 110.156 108.800 -0.219 0.000 2.153 397 G HA2 -0.191 3.704 3.960 -0.107 0.000 0.252 397 G HA3 -0.191 3.704 3.960 -0.107 0.000 0.252 397 G C 0.020 174.825 174.900 -0.158 0.000 0.994 397 G CA 0.448 45.432 45.100 -0.195 0.000 0.698 397 G HN 0.729 nan 8.290 nan 0.000 0.521 398 I N 0.297 120.777 120.570 -0.151 0.000 2.562 398 I HA 0.802 4.907 4.170 -0.107 0.000 0.301 398 I C 0.822 176.858 176.117 -0.135 0.000 1.003 398 I CA -0.092 61.131 61.300 -0.129 0.000 1.127 398 I CB 1.321 39.257 38.000 -0.106 0.000 1.304 398 I HN 0.264 nan 8.210 nan 0.000 0.446 399 G N 2.006 110.730 108.800 -0.128 0.000 2.708 399 G HA2 0.395 4.291 3.960 -0.107 0.000 0.289 399 G HA3 0.395 4.291 3.960 -0.107 0.000 0.289 399 G C 0.200 175.011 174.900 -0.149 0.000 1.416 399 G CA -0.207 44.809 45.100 -0.139 0.000 0.829 399 G HN 0.462 nan 8.290 nan 0.000 0.480 400 S N -0.234 115.336 115.700 -0.217 0.000 2.374 400 S HA -0.202 4.203 4.470 -0.107 0.000 0.227 400 S C 2.770 177.249 174.600 -0.202 0.000 1.037 400 S CA 2.283 60.273 58.200 -0.350 0.000 1.024 400 S CB -0.316 62.454 63.200 -0.717 0.000 0.861 400 S HN 1.013 nan 8.310 nan 0.000 0.456 401 S N 2.661 118.273 115.700 -0.145 0.000 2.447 401 S HA -0.090 4.316 4.470 -0.107 0.000 0.233 401 S C 1.178 175.765 174.600 -0.021 0.000 1.006 401 S CA 1.155 59.323 58.200 -0.054 0.000 0.957 401 S CB -0.384 62.780 63.200 -0.060 0.000 0.773 401 S HN 0.722 nan 8.310 nan 0.000 0.507 402 N N 1.184 119.856 118.700 -0.048 0.000 2.238 402 N HA 0.336 5.012 4.740 -0.107 0.000 0.235 402 N C -0.089 175.390 175.510 -0.051 0.000 1.209 402 N CA 0.096 53.120 53.050 -0.044 0.000 0.879 402 N CB 0.125 38.573 38.487 -0.065 0.000 1.136 402 N HN 0.415 nan 8.380 nan 0.000 0.517 403 A N 0.614 123.414 122.820 -0.032 0.000 2.462 403 A HA 0.458 4.714 4.320 -0.107 0.000 0.243 403 A C 0.380 177.940 177.584 -0.041 0.000 1.076 403 A CA -0.155 51.853 52.037 -0.047 0.000 0.773 403 A CB 0.220 19.220 19.000 -0.001 0.000 1.010 403 A HN 0.294 nan 8.150 nan 0.000 0.493 404 S N 0.335 115.957 115.700 -0.130 0.000 2.580 404 S HA 0.329 4.735 4.470 -0.107 0.000 0.274 404 S C 0.234 174.873 174.600 0.065 0.000 1.329 404 S CA -0.589 57.549 58.200 -0.102 0.000 1.036 404 S CB 0.983 63.957 63.200 -0.376 0.000 0.919 404 S HN 0.556 nan 8.310 nan 0.000 0.515 405 V N 2.810 122.798 119.914 0.123 0.000 2.508 405 V HA 0.633 4.689 4.120 -0.107 0.000 0.281 405 V C 0.888 177.116 176.094 0.224 0.000 1.041 405 V CA 0.615 62.992 62.300 0.129 0.000 1.016 405 V CB -0.087 31.780 31.823 0.072 0.000 0.984 405 V HN 1.128 nan 8.190 nan 0.000 0.478 406 G N 3.333 112.220 108.800 0.144 0.000 2.350 406 G HA2 0.243 4.138 3.960 -0.107 0.000 0.304 406 G HA3 0.243 4.138 3.960 -0.107 0.000 0.304 406 G C 0.250 175.145 174.900 -0.008 0.000 1.421 406 G CA 0.005 45.109 45.100 0.007 0.000 0.934 406 G HN 0.870 nan 8.290 nan 0.000 0.632 407 S N -1.240 114.409 115.700 -0.084 0.000 2.425 407 S HA 0.395 4.800 4.470 -0.107 0.000 0.225 407 S C 2.090 176.775 174.600 0.142 0.000 1.024 407 S CA 1.579 59.790 58.200 0.019 0.000 0.951 407 S CB 0.246 63.478 63.200 0.053 0.000 0.796 407 S HN 2.884 nan 8.310 nan 0.000 0.498 408 G N 0.123 108.908 108.800 -0.026 0.000 2.175 408 G HA2 -0.189 3.706 3.960 -0.107 0.000 0.244 408 G HA3 -0.189 3.706 3.960 -0.107 0.000 0.244 408 G C -0.131 174.745 174.900 -0.041 0.000 0.982 408 G CA 0.185 45.336 45.100 0.085 0.000 0.641 408 G HN 0.485 nan 8.290 nan 0.000 0.527 409 F N 0.184 120.115 119.950 -0.031 0.000 2.579 409 F HA 0.784 5.246 4.527 -0.108 0.000 0.324 409 F C 0.350 176.130 175.800 -0.034 0.000 1.058 409 F CA -0.948 57.060 58.000 0.014 0.000 0.944 409 F CB 2.094 41.106 39.000 0.020 0.000 1.245 409 F HN 0.034 nan 8.300 nan 0.000 0.477 410 K N 1.356 121.879 120.400 0.205 0.000 2.427 410 K HA 0.330 4.586 4.320 -0.107 0.000 0.252 410 K C -1.360 175.321 176.600 0.135 0.000 0.931 410 K CA -0.562 55.800 56.287 0.125 0.000 0.793 410 K CB 1.904 34.471 32.500 0.113 0.000 1.211 410 K HN 0.775 nan 8.250 nan 0.000 0.426 411 E N 3.300 123.544 120.200 0.074 0.000 2.167 411 E HA 0.302 4.588 4.350 -0.107 0.000 0.284 411 E C -1.450 175.187 176.600 0.061 0.000 1.016 411 E CA -0.741 55.678 56.400 0.033 0.000 0.817 411 E CB 1.339 31.041 29.700 0.004 0.000 1.080 411 E HN 0.292 nan 8.360 nan 0.000 0.397 412 V N 5.406 125.370 119.914 0.083 0.000 2.623 412 V HA 0.207 4.262 4.120 -0.107 0.000 0.304 412 V C -0.307 175.851 176.094 0.107 0.000 1.054 412 V CA -1.036 61.342 62.300 0.130 0.000 0.882 412 V CB 1.784 33.742 31.823 0.225 0.000 1.002 412 V HN 0.885 nan 8.190 nan 0.000 0.424 413 N N 3.417 122.157 118.700 0.066 0.000 2.735 413 N HA -0.202 4.474 4.740 -0.107 0.000 0.248 413 N C 1.178 176.694 175.510 0.011 0.000 1.083 413 N CA 1.514 54.593 53.050 0.047 0.000 0.703 413 N CB -1.156 37.376 38.487 0.075 0.000 1.005 413 N HN 1.676 nan 8.380 nan 0.000 0.550 414 G N -0.856 107.940 108.800 -0.007 0.000 2.175 414 G HA2 -0.383 3.512 3.960 -0.107 0.000 0.265 414 G HA3 -0.383 3.512 3.960 -0.107 0.000 0.265 414 G C 0.037 174.888 174.900 -0.081 0.000 0.979 414 G CA 1.196 46.278 45.100 -0.030 0.000 0.663 414 G HN 0.688 nan 8.290 nan 0.000 0.533 415 K N 0.276 120.583 120.400 -0.156 0.000 2.270 415 K HA 0.533 4.788 4.320 -0.107 0.000 0.255 415 K C -0.018 176.280 176.600 -0.503 0.000 0.936 415 K CA -0.879 55.206 56.287 -0.337 0.000 0.809 415 K CB 0.847 33.077 32.500 -0.449 0.000 1.131 415 K HN 0.087 nan 8.250 nan 0.000 0.427 416 K N 2.981 123.153 120.400 -0.380 0.000 2.258 416 K HA 0.202 4.458 4.320 -0.107 0.000 0.284 416 K C -1.219 175.287 176.600 -0.156 0.000 1.051 416 K CA -0.264 55.906 56.287 -0.195 0.000 0.923 416 K CB 0.582 33.017 32.500 -0.109 0.000 1.046 416 K HN 0.349 nan 8.250 nan 0.000 0.474 417 Y N 1.236 121.711 120.300 0.292 0.000 2.536 417 Y HA 0.298 4.784 4.550 -0.108 0.000 0.347 417 Y C 0.147 176.126 175.900 0.133 0.000 1.000 417 Y CA -1.059 57.189 58.100 0.247 0.000 1.051 417 Y CB 1.082 39.597 38.460 0.092 0.000 1.259 417 Y HN 0.338 nan 8.280 nan 0.000 0.468 418 L N 4.069 125.322 121.223 0.050 0.000 2.462 418 L HA 0.155 4.430 4.340 -0.107 0.000 0.272 418 L C 0.115 176.914 176.870 -0.119 0.000 1.166 418 L CA -0.094 54.482 54.840 -0.439 0.000 0.880 418 L CB 0.295 42.128 42.059 -0.376 0.000 1.142 418 L HN 0.641 nan 8.230 nan 0.000 0.473 419 K N 5.094 125.437 120.400 -0.096 0.000 2.130 419 K HA 0.690 4.946 4.320 -0.107 0.000 0.268 419 K C -1.203 175.524 176.600 0.212 0.000 0.983 419 K CA -0.746 55.597 56.287 0.094 0.000 0.893 419 K CB 1.641 34.210 32.500 0.115 0.000 1.066 419 K HN 0.450 nan 8.250 nan 0.000 0.450 420 L N 1.884 123.292 121.223 0.309 0.000 2.354 420 L HA 0.544 4.819 4.340 -0.107 0.000 0.264 420 L C -0.386 176.737 176.870 0.421 0.000 1.008 420 L CA -1.172 53.879 54.840 0.353 0.000 0.819 420 L CB 2.303 44.475 42.059 0.187 0.000 1.339 420 L HN 0.717 nan 8.230 nan 0.000 0.420 421 R N 1.880 122.505 120.500 0.208 0.000 2.437 421 R HA 0.225 4.501 4.340 -0.107 0.000 0.310 421 R C -1.147 175.166 176.300 0.022 0.000 0.955 421 R CA -0.551 55.498 56.100 -0.085 0.000 0.851 421 R CB 1.441 31.290 30.300 -0.751 0.000 1.161 421 R HN 0.724 nan 8.270 nan 0.000 0.446 422 W N 7.566 128.750 121.300 -0.193 0.000 2.304 422 W HA 0.013 4.608 4.660 -0.107 0.000 0.313 422 W C 0.974 177.286 176.519 -0.346 0.000 1.323 422 W CA -0.219 56.801 57.345 -0.543 0.000 1.223 422 W CB 0.616 29.733 29.460 -0.572 0.000 1.237 422 W HN 0.875 nan 8.180 nan 0.000 0.535 423 H N 3.604 122.010 119.070 -1.107 0.000 2.518 423 H HA -0.177 4.315 4.556 -0.107 0.000 0.294 423 H C 0.433 175.381 175.328 -0.632 0.000 1.083 423 H CA 1.491 57.057 56.048 -0.803 0.000 1.264 423 H CB -0.091 29.204 29.762 -0.779 0.000 1.370 423 H HN 0.465 nan 8.280 nan 0.000 0.560 424 K N 0.382 120.065 120.400 -1.195 0.000 2.358 424 K HA 0.078 4.334 4.320 -0.107 0.000 0.197 424 K C -0.221 176.295 176.600 -0.141 0.000 1.025 424 K CA -0.260 55.695 56.287 -0.554 0.000 1.104 424 K CB 0.696 32.942 32.500 -0.423 0.000 0.855 424 K HN 0.197 nan 8.250 nan 0.000 0.531 425 D N 0.849 121.207 120.400 -0.071 0.000 2.451 425 D HA 0.218 4.793 4.640 -0.107 0.000 0.259 425 D C -0.006 176.275 176.300 -0.032 0.000 1.201 425 D CA -0.361 53.657 54.000 0.030 0.000 1.028 425 D CB 0.593 41.457 40.800 0.107 0.000 1.095 425 D HN 0.079 nan 8.370 nan 0.000 0.539 426 A N -0.318 122.500 122.820 -0.004 0.000 2.483 426 A HA 0.385 4.640 4.320 -0.107 0.000 0.238 426 A C 1.588 179.155 177.584 -0.028 0.000 1.070 426 A CA 0.411 52.444 52.037 -0.008 0.000 0.770 426 A CB -0.172 18.839 19.000 0.019 0.000 1.008 426 A HN 0.561 nan 8.150 nan 0.000 0.497 427 G N 1.036 109.827 108.800 -0.016 0.000 2.562 427 G HA2 -0.266 3.630 3.960 -0.107 0.000 0.223 427 G HA3 -0.266 3.630 3.960 -0.107 0.000 0.223 427 G C 1.095 176.013 174.900 0.030 0.000 1.102 427 G CA 1.294 46.388 45.100 -0.010 0.000 0.742 427 G HN 0.989 nan 8.290 nan 0.000 0.587 428 R N -1.038 119.511 120.500 0.082 0.000 2.662 428 R HA 0.642 4.917 4.340 -0.107 0.000 0.396 428 R C 0.208 176.651 176.300 0.239 0.000 1.096 428 R CA 0.084 56.329 56.100 0.241 0.000 1.081 428 R CB 0.456 30.906 30.300 0.250 0.000 1.382 428 R HN 0.114 nan 8.270 nan 0.000 0.580 429 A N 1.525 124.364 122.820 0.031 0.000 2.621 429 A HA 0.372 4.628 4.320 -0.107 0.000 0.329 429 A C -1.253 176.310 177.584 -0.035 0.000 1.458 429 A CA -0.535 51.537 52.037 0.059 0.000 1.052 429 A CB -0.281 18.748 19.000 0.048 0.000 1.142 429 A HN 0.400 nan 8.150 nan 0.000 0.523 430 Y N 1.735 122.135 120.300 0.167 0.000 2.802 430 Y HA 0.186 4.672 4.550 -0.107 0.000 0.330 430 Y C 0.356 176.357 175.900 0.167 0.000 1.193 430 Y CA -0.604 57.617 58.100 0.203 0.000 1.427 430 Y CB 0.574 39.141 38.460 0.178 0.000 1.357 430 Y HN 0.650 nan 8.280 nan 0.000 0.501 431 D N 1.395 121.941 120.400 0.244 0.000 2.342 431 D HA 0.027 4.602 4.640 -0.107 0.000 0.221 431 D C -0.467 175.716 176.300 -0.196 0.000 1.101 431 D CA 0.569 54.578 54.000 0.015 0.000 0.837 431 D CB 0.160 40.887 40.800 -0.121 0.000 0.938 431 D HN 0.343 nan 8.370 nan 0.000 0.508 432 Y N -0.178 120.222 120.300 0.167 0.000 2.605 432 Y HA 0.426 4.912 4.550 -0.107 0.000 0.343 432 Y C 0.626 176.577 175.900 0.085 0.000 1.036 432 Y CA -1.074 57.101 58.100 0.125 0.000 1.065 432 Y CB 1.824 40.367 38.460 0.139 0.000 1.288 432 Y HN -0.301 nan 8.280 nan 0.000 0.481 433 T N -1.257 113.412 114.554 0.191 0.000 2.900 433 T HA 0.682 4.968 4.350 -0.107 0.000 0.303 433 T C -1.104 173.597 174.700 0.001 0.000 1.142 433 T CA -0.761 61.389 62.100 0.083 0.000 1.007 433 T CB 1.324 70.222 68.868 0.049 0.000 1.156 433 T HN 0.458 nan 8.240 nan 0.000 0.490 434 I N 2.611 123.176 120.570 -0.010 0.000 2.297 434 I HA 0.390 4.495 4.170 -0.107 0.000 0.291 434 I C 0.956 177.016 176.117 -0.096 0.000 1.033 434 I CA -0.740 60.549 61.300 -0.017 0.000 1.253 434 I CB 0.703 38.738 38.000 0.059 0.000 1.396 434 I HN 0.467 nan 8.210 nan 0.000 0.476 435 R N 3.583 123.939 120.500 -0.240 0.000 2.751 435 R HA 0.435 4.711 4.340 -0.107 0.000 0.217 435 R C -0.366 175.875 176.300 -0.099 0.000 1.436 435 R CA -1.125 54.676 56.100 -0.499 0.000 1.006 435 R CB 0.380 30.099 30.300 -0.969 0.000 2.065 435 R HN 0.357 nan 8.270 nan 0.000 0.525 436 E N 2.163 122.329 120.200 -0.056 0.000 2.608 436 E HA -0.087 4.198 4.350 -0.107 0.000 0.259 436 E C -0.385 176.235 176.600 0.033 0.000 0.951 436 E CA 0.760 57.187 56.400 0.046 0.000 0.945 436 E CB 0.149 29.882 29.700 0.054 0.000 0.916 436 E HN 0.306 nan 8.360 nan 0.000 0.477 437 K N 1.914 122.331 120.400 0.029 0.000 3.281 437 K HA -0.224 4.032 4.320 -0.107 0.000 0.295 437 K C 0.874 177.453 176.600 -0.035 0.000 1.233 437 K CA 0.974 57.259 56.287 -0.005 0.000 0.866 437 K CB -2.300 30.197 32.500 -0.004 0.000 1.265 437 K HN 1.071 nan 8.250 nan 0.000 0.482 438 G N -0.811 107.972 108.800 -0.028 0.000 2.168 438 G HA2 -0.359 3.536 3.960 -0.107 0.000 0.263 438 G HA3 -0.359 3.536 3.960 -0.107 0.000 0.263 438 G C 0.262 175.145 174.900 -0.028 0.000 0.977 438 G CA 0.292 45.357 45.100 -0.057 0.000 0.659 438 G HN 0.300 nan 8.290 nan 0.000 0.533 439 V N 1.614 121.537 119.914 0.015 0.000 2.585 439 V HA 0.307 4.363 4.120 -0.107 0.000 0.296 439 V C 1.211 177.368 176.094 0.104 0.000 1.035 439 V CA 0.078 62.410 62.300 0.053 0.000 1.084 439 V CB 1.161 33.051 31.823 0.113 0.000 0.953 439 V HN 0.318 nan 8.190 nan 0.000 0.483 440 I N 5.497 126.087 120.570 0.032 0.000 2.371 440 I HA 0.311 4.417 4.170 -0.107 0.000 0.290 440 I C -0.540 175.641 176.117 0.106 0.000 1.028 440 I CA -0.190 61.112 61.300 0.004 0.000 1.345 440 I CB 0.622 38.458 38.000 -0.274 0.000 1.407 440 I HN 0.480 nan 8.210 nan 0.000 0.501 441 Y N 4.498 124.787 120.300 -0.018 0.000 2.457 441 Y HA 0.278 4.764 4.550 -0.107 0.000 0.333 441 Y C 0.518 176.476 175.900 0.098 0.000 1.119 441 Y CA -0.884 57.230 58.100 0.022 0.000 1.143 441 Y CB 1.114 39.531 38.460 -0.071 0.000 1.230 441 Y HN 0.454 nan 8.280 nan 0.000 0.469 442 N N 2.473 121.255 118.700 0.135 0.000 2.437 442 N HA 0.035 4.710 4.740 -0.107 0.000 0.243 442 N C -0.044 175.409 175.510 -0.095 0.000 1.041 442 N CA 0.020 52.977 53.050 -0.155 0.000 0.940 442 N CB 0.712 39.143 38.487 -0.093 0.000 1.133 442 N HN 0.679 nan 8.380 nan 0.000 0.506 443 D N 3.048 123.352 120.400 -0.159 0.000 2.178 443 D HA -0.123 4.452 4.640 -0.107 0.000 0.201 443 D C 1.525 177.797 176.300 -0.047 0.000 0.980 443 D CA 1.030 55.001 54.000 -0.050 0.000 0.842 443 D CB 0.016 40.797 40.800 -0.033 0.000 0.948 443 D HN 0.689 nan 8.370 nan 0.000 0.472 444 A N 0.636 123.395 122.820 -0.101 0.000 1.877 444 A HA -0.147 4.109 4.320 -0.107 0.000 0.216 444 A C 2.332 179.896 177.584 -0.032 0.000 1.186 444 A CA 2.498 54.498 52.037 -0.062 0.000 0.620 444 A CB -0.790 18.161 19.000 -0.082 0.000 0.822 444 A HN 0.377 nan 8.150 nan 0.000 0.443 445 T N -4.636 109.896 114.554 -0.037 0.000 3.065 445 T HA 0.086 4.372 4.350 -0.107 0.000 0.252 445 T C 0.765 175.479 174.700 0.024 0.000 1.099 445 T CA 0.812 62.906 62.100 -0.010 0.000 1.063 445 T CB -0.282 68.575 68.868 -0.019 0.000 0.948 445 T HN 0.454 nan 8.240 nan 0.000 0.506 446 N N 1.120 119.851 118.700 0.052 0.000 2.725 446 N HA -0.146 4.530 4.740 -0.107 0.000 0.249 446 N C -1.045 174.576 175.510 0.186 0.000 1.103 446 N CA 0.629 53.761 53.050 0.137 0.000 0.707 446 N CB -1.077 37.467 38.487 0.096 0.000 1.043 446 N HN 0.570 nan 8.380 nan 0.000 0.553 447 Q N -0.050 119.793 119.800 0.071 0.000 2.365 447 Q HA 0.499 4.775 4.340 -0.107 0.000 0.269 447 Q C -2.429 173.361 176.000 -0.349 0.000 1.061 447 Q CA -1.589 54.164 55.803 -0.082 0.000 0.816 447 Q CB 1.804 30.508 28.738 -0.057 0.000 1.325 447 Q HN 0.202 nan 8.270 nan 0.000 0.446 448 P HA -0.004 nan 4.420 nan 0.000 0.268 448 P C -0.051 177.071 177.300 -0.298 0.000 1.205 448 P CA 0.070 62.658 63.100 -0.853 0.000 0.771 448 P CB 0.918 32.156 31.700 -0.771 0.000 0.858 449 T N 0.403 114.873 114.554 -0.140 0.000 2.867 449 T HA 0.076 4.361 4.350 -0.107 0.000 0.286 449 T C 1.019 175.750 174.700 0.052 0.000 1.022 449 T CA -0.406 61.731 62.100 0.063 0.000 0.933 449 T CB 0.287 69.305 68.868 0.250 0.000 1.280 449 T HN 0.451 nan 8.240 nan 0.000 0.566 450 E N -0.525 119.739 120.200 0.107 0.000 2.445 450 E HA 0.152 4.438 4.350 -0.107 0.000 0.189 450 E C -0.801 175.656 176.600 -0.239 0.000 1.069 450 E CA -0.078 56.267 56.400 -0.092 0.000 0.871 450 E CB 0.124 29.707 29.700 -0.195 0.000 0.991 450 E HN 0.403 nan 8.360 nan 0.000 0.481 451 F N 0.381 120.347 119.950 0.026 0.000 2.538 451 F HA 0.504 4.967 4.527 -0.108 0.000 0.325 451 F C 0.355 176.132 175.800 -0.038 0.000 1.066 451 F CA -0.876 57.148 58.000 0.040 0.000 0.946 451 F CB 1.391 40.441 39.000 0.083 0.000 1.199 451 F HN -0.164 nan 8.300 nan 0.000 0.473 452 R N -0.296 120.321 120.500 0.194 0.000 2.733 452 R HA 0.895 5.170 4.340 -0.107 0.000 0.272 452 R C -2.023 174.345 176.300 0.114 0.000 1.029 452 R CA -1.224 54.916 56.100 0.066 0.000 0.888 452 R CB 1.725 32.009 30.300 -0.027 0.000 1.251 452 R HN 0.497 nan 8.270 nan 0.000 0.464 453 V N -1.716 118.204 119.914 0.010 0.000 2.914 453 V HA 0.601 4.657 4.120 -0.107 0.000 0.314 453 V C -0.809 175.210 176.094 -0.125 0.000 1.084 453 V CA -0.927 61.390 62.300 0.027 0.000 0.963 453 V CB 1.784 33.582 31.823 -0.042 0.000 1.025 453 V HN 0.973 nan 8.190 nan 0.000 0.432 454 D N 2.250 122.604 120.400 -0.078 0.000 2.539 454 D HA 0.401 4.977 4.640 -0.107 0.000 0.280 454 D C 1.327 177.498 176.300 -0.216 0.000 1.208 454 D CA 0.079 53.985 54.000 -0.157 0.000 1.088 454 D CB 0.476 41.241 40.800 -0.059 0.000 1.149 454 D HN 0.781 nan 8.370 nan 0.000 0.596 455 G N -1.407 107.308 108.800 -0.142 0.000 2.708 455 G HA2 -0.117 3.779 3.960 -0.107 0.000 0.210 455 G HA3 -0.117 3.779 3.960 -0.107 0.000 0.210 455 G C 0.722 175.582 174.900 -0.067 0.000 1.141 455 G CA 0.200 45.219 45.100 -0.136 0.000 0.788 455 G HN 0.356 nan 8.290 nan 0.000 0.531 456 E N -0.694 119.498 120.200 -0.013 0.000 2.526 456 E HA 0.137 4.423 4.350 -0.107 0.000 0.208 456 E C -0.174 176.595 176.600 0.282 0.000 0.997 456 E CA -0.727 55.765 56.400 0.153 0.000 0.961 456 E CB 0.268 30.057 29.700 0.147 0.000 1.030 456 E HN 0.447 nan 8.360 nan 0.000 0.483 457 Y N -0.106 120.266 120.300 0.119 0.000 4.272 457 Y HA -0.248 4.237 4.550 -0.108 0.000 0.232 457 Y C -0.021 175.891 175.900 0.020 0.000 1.149 457 Y CA 0.250 58.389 58.100 0.066 0.000 1.961 457 Y CB -2.156 36.356 38.460 0.086 0.000 1.611 457 Y HN 0.038 nan 8.280 nan 0.000 0.682 458 N N 1.039 119.828 118.700 0.148 0.000 2.479 458 N HA 0.336 5.011 4.740 -0.107 0.000 0.285 458 N C 0.008 175.603 175.510 0.141 0.000 1.075 458 N CA -0.573 52.528 53.050 0.085 0.000 0.967 458 N CB 1.050 39.583 38.487 0.075 0.000 1.137 458 N HN -0.002 nan 8.380 nan 0.000 0.472 459 L N 2.355 123.617 121.223 0.065 0.000 2.439 459 L HA 0.212 4.487 4.340 -0.107 0.000 0.269 459 L C -0.400 176.508 176.870 0.062 0.000 1.179 459 L CA 0.374 55.309 54.840 0.158 0.000 0.828 459 L CB -0.528 41.641 42.059 0.184 0.000 1.106 459 L HN 0.453 nan 8.230 nan 0.000 0.467 460 Y N 1.032 121.417 120.300 0.143 0.000 2.421 460 Y HA 0.359 4.844 4.550 -0.108 0.000 0.339 460 Y C 0.083 176.024 175.900 0.069 0.000 0.996 460 Y CA -0.703 57.448 58.100 0.085 0.000 1.046 460 Y CB 1.636 40.109 38.460 0.023 0.000 1.226 460 Y HN 0.486 nan 8.280 nan 0.000 0.445 461 Q N 3.744 123.599 119.800 0.092 0.000 2.357 461 Q HA 0.245 4.520 4.340 -0.107 0.000 0.266 461 Q C -0.372 175.602 176.000 -0.044 0.000 1.021 461 Q CA -0.404 55.264 55.803 -0.226 0.000 0.784 461 Q CB 0.529 29.073 28.738 -0.322 0.000 1.243 461 Q HN 0.901 nan 8.270 nan 0.000 0.465 462 H N 4.487 123.445 119.070 -0.186 0.000 2.677 462 H HA -0.199 4.292 4.556 -0.107 0.000 0.321 462 H C -0.708 174.607 175.328 -0.020 0.000 1.171 462 H CA 1.286 57.271 56.048 -0.104 0.000 1.139 462 H CB -0.597 29.094 29.762 -0.119 0.000 1.515 462 H HN 1.079 nan 8.280 nan 0.000 0.423 463 D N -0.769 119.619 120.400 -0.020 0.000 3.059 463 D HA -0.155 4.421 4.640 -0.107 0.000 0.213 463 D C -0.054 176.366 176.300 0.201 0.000 1.144 463 D CA 1.608 55.642 54.000 0.057 0.000 0.975 463 D CB -1.131 39.620 40.800 -0.082 0.000 1.125 463 D HN 0.528 nan 8.370 nan 0.000 0.412 464 T N 1.172 115.829 114.554 0.171 0.000 2.771 464 T HA 0.226 4.512 4.350 -0.107 0.000 0.281 464 T C 0.235 174.932 174.700 -0.004 0.000 0.982 464 T CA -0.663 61.497 62.100 0.100 0.000 0.978 464 T CB 1.688 70.594 68.868 0.063 0.000 0.930 464 T HN -0.003 nan 8.240 nan 0.000 0.447 465 N N 2.843 121.438 118.700 -0.175 0.000 2.483 465 N HA 0.120 4.796 4.740 -0.107 0.000 0.264 465 N C -0.660 174.714 175.510 -0.227 0.000 1.197 465 N CA -0.310 52.430 53.050 -0.516 0.000 0.927 465 N CB 0.268 38.430 38.487 -0.541 0.000 1.065 465 N HN 0.319 nan 8.380 nan 0.000 0.461 466 L N 1.947 123.058 121.223 -0.187 0.000 2.399 466 L HA 0.410 4.686 4.340 -0.107 0.000 0.266 466 L C 1.019 177.863 176.870 -0.045 0.000 1.114 466 L CA -0.039 54.773 54.840 -0.046 0.000 0.804 466 L CB 1.148 43.234 42.059 0.045 0.000 1.146 466 L HN 0.677 nan 8.230 nan 0.000 0.451 467 T N -1.335 113.214 114.554 -0.009 0.000 2.883 467 T HA 0.839 5.125 4.350 -0.107 0.000 0.296 467 T C -0.567 174.146 174.700 0.022 0.000 1.117 467 T CA -0.847 61.260 62.100 0.012 0.000 1.006 467 T CB 1.548 70.417 68.868 0.003 0.000 1.191 467 T HN 0.837 nan 8.240 nan 0.000 0.508 468 C N -0.149 119.177 119.300 0.044 0.000 3.241 468 C HA 0.832 5.228 4.460 -0.107 0.000 0.312 468 C C -0.908 174.095 174.990 0.023 0.000 1.350 468 C CA -1.296 57.743 59.018 0.034 0.000 1.415 468 C CB 1.177 28.956 27.740 0.064 0.000 1.770 468 C HN 0.955 nan 8.230 nan 0.000 0.466 469 K N 1.580 121.975 120.400 -0.009 0.000 2.322 469 K HA 0.253 4.509 4.320 -0.107 0.000 0.283 469 K C 0.015 176.586 176.600 -0.048 0.000 1.042 469 K CA 0.469 56.720 56.287 -0.061 0.000 0.958 469 K CB 0.875 33.292 32.500 -0.138 0.000 0.984 469 K HN 0.911 nan 8.250 nan 0.000 0.473 470 Q N 2.323 122.082 119.800 -0.069 0.000 2.373 470 Q HA 0.077 4.352 4.340 -0.107 0.000 0.255 470 Q C -0.974 174.934 176.000 -0.153 0.000 0.980 470 Q CA -0.081 55.683 55.803 -0.065 0.000 0.882 470 Q CB 0.483 29.186 28.738 -0.059 0.000 1.249 470 Q HN 0.338 nan 8.270 nan 0.000 0.438 471 Y N 1.329 121.370 120.300 -0.431 0.000 2.453 471 Y HA 0.323 4.808 4.550 -0.108 0.000 0.326 471 Y C -0.058 175.595 175.900 -0.412 0.000 1.186 471 Y CA -0.583 57.169 58.100 -0.580 0.000 1.200 471 Y CB 1.633 39.341 38.460 -1.255 0.000 1.247 471 Y HN 0.709 nan 8.280 nan 0.000 0.482 472 D N 0.022 120.335 120.400 -0.145 0.000 2.423 472 D HA 0.418 4.994 4.640 -0.107 0.000 0.235 472 D C -1.830 174.514 176.300 0.073 0.000 1.011 472 D CA -0.514 53.422 54.000 -0.107 0.000 0.963 472 D CB 1.301 41.991 40.800 -0.183 0.000 1.349 472 D HN 0.342 nan 8.370 nan 0.000 0.508 473 Y N -0.332 119.995 120.300 0.045 0.000 2.396 473 Y HA 0.632 5.117 4.550 -0.108 0.000 0.332 473 Y C -0.891 175.012 175.900 0.005 0.000 1.034 473 Y CA -1.003 57.134 58.100 0.062 0.000 1.057 473 Y CB 1.036 39.616 38.460 0.201 0.000 1.220 473 Y HN 0.071 nan 8.280 nan 0.000 0.440 474 N N 2.613 121.295 118.700 -0.031 0.000 2.277 474 N HA 0.391 5.067 4.740 -0.107 0.000 0.286 474 N C -1.861 173.550 175.510 -0.165 0.000 1.140 474 N CA -0.681 52.325 53.050 -0.074 0.000 0.799 474 N CB 2.446 40.900 38.487 -0.056 0.000 1.596 474 N HN 0.478 nan 8.380 nan 0.000 0.473 475 F N 0.806 120.683 119.950 -0.121 0.000 2.396 475 F HA 0.207 4.670 4.527 -0.107 0.000 0.343 475 F C 1.251 176.993 175.800 -0.096 0.000 1.104 475 F CA 0.001 57.914 58.000 -0.145 0.000 1.161 475 F CB 1.170 40.029 39.000 -0.235 0.000 1.146 475 F HN 0.228 nan 8.300 nan 0.000 0.522 476 S N 3.241 118.998 115.700 0.095 0.000 2.532 476 S HA 0.582 4.987 4.470 -0.107 0.000 0.256 476 S C 0.296 174.937 174.600 0.067 0.000 1.298 476 S CA 0.202 58.431 58.200 0.048 0.000 1.166 476 S CB -0.339 62.866 63.200 0.008 0.000 1.022 476 S HN 1.203 nan 8.310 nan 0.000 0.480 477 G N 5.078 113.913 108.800 0.058 0.000 2.536 477 G HA2 -0.292 3.603 3.960 -0.107 0.000 0.280 477 G HA3 -0.292 3.603 3.960 -0.107 0.000 0.280 477 G C 0.464 175.406 174.900 0.070 0.000 1.152 477 G CA 0.276 45.397 45.100 0.035 0.000 0.970 477 G HN 0.603 nan 8.290 nan 0.000 0.549 478 N N 2.265 121.009 118.700 0.073 0.000 2.336 478 N HA 0.079 4.755 4.740 -0.107 0.000 0.189 478 N C 0.161 175.809 175.510 0.230 0.000 1.113 478 N CA 0.256 53.371 53.050 0.109 0.000 0.858 478 N CB -0.084 38.431 38.487 0.046 0.000 0.970 478 N HN 0.457 nan 8.380 nan 0.000 0.471 479 N N 1.090 119.888 118.700 0.163 0.000 2.455 479 N HA 0.151 4.827 4.740 -0.107 0.000 0.280 479 N C -0.481 174.971 175.510 -0.095 0.000 1.055 479 N CA -0.210 52.874 53.050 0.056 0.000 0.961 479 N CB 1.969 40.464 38.487 0.013 0.000 1.121 479 N HN 0.088 nan 8.380 nan 0.000 0.476 480 L N 3.738 124.784 121.223 -0.295 0.000 2.261 480 L HA 0.341 4.616 4.340 -0.107 0.000 0.289 480 L C -0.670 176.054 176.870 -0.242 0.000 1.059 480 L CA -0.568 53.910 54.840 -0.604 0.000 0.816 480 L CB 0.376 42.065 42.059 -0.618 0.000 1.191 480 L HN 0.313 nan 8.230 nan 0.000 0.431 481 I N 4.809 125.268 120.570 -0.185 0.000 2.304 481 I HA 0.249 4.355 4.170 -0.107 0.000 0.291 481 I C 0.109 176.237 176.117 0.018 0.000 1.018 481 I CA -0.242 61.021 61.300 -0.061 0.000 1.260 481 I CB 1.218 39.186 38.000 -0.054 0.000 1.390 481 I HN 0.580 nan 8.210 nan 0.000 0.475 482 E N 5.048 125.302 120.200 0.090 0.000 2.092 482 E HA 0.402 4.688 4.350 -0.107 0.000 0.271 482 E C -0.557 176.162 176.600 0.200 0.000 0.919 482 E CA -0.379 56.155 56.400 0.224 0.000 0.760 482 E CB 1.391 31.282 29.700 0.318 0.000 1.106 482 E HN 0.655 nan 8.360 nan 0.000 0.408 483 S N 2.417 118.142 115.700 0.042 0.000 2.568 483 S HA 0.473 4.878 4.470 -0.107 0.000 0.293 483 S C -0.250 173.996 174.600 -0.590 0.000 1.089 483 S CA -1.214 56.868 58.200 -0.197 0.000 0.945 483 S CB 1.734 64.847 63.200 -0.146 0.000 1.077 483 S HN 0.235 nan 8.310 nan 0.000 0.485 484 K N 1.385 121.283 120.400 -0.836 0.000 2.355 484 K HA 0.391 4.646 4.320 -0.107 0.000 0.270 484 K C 0.769 177.104 176.600 -0.442 0.000 1.003 484 K CA -0.037 55.721 56.287 -0.881 0.000 0.957 484 K CB 0.537 32.642 32.500 -0.657 0.000 0.939 484 K HN 0.870 nan 8.250 nan 0.000 0.482 485 T N -2.725 111.620 114.554 -0.348 0.000 2.797 485 T HA 0.148 4.433 4.350 -0.107 0.000 0.267 485 T C 0.617 175.217 174.700 -0.167 0.000 0.986 485 T CA -0.567 61.404 62.100 -0.214 0.000 0.999 485 T CB 0.783 69.546 68.868 -0.174 0.000 1.508 485 T HN 0.661 nan 8.240 nan 0.000 0.595 486 D N -0.538 119.791 120.400 -0.119 0.000 2.369 486 D HA 0.094 4.670 4.640 -0.107 0.000 0.211 486 D C 0.297 176.553 176.300 -0.072 0.000 1.077 486 D CA -0.190 53.755 54.000 -0.091 0.000 0.842 486 D CB -0.385 40.372 40.800 -0.072 0.000 0.947 486 D HN 0.300 nan 8.370 nan 0.000 0.509 487 V N 1.761 121.630 119.914 -0.075 0.000 2.555 487 V HA 0.094 4.149 4.120 -0.107 0.000 0.286 487 V C 0.338 176.408 176.094 -0.040 0.000 1.044 487 V CA -0.172 62.098 62.300 -0.050 0.000 1.026 487 V CB 1.270 33.064 31.823 -0.047 0.000 0.981 487 V HN 0.078 nan 8.190 nan 0.000 0.480 488 D N 3.342 123.730 120.400 -0.020 0.000 2.198 488 D HA 0.531 5.107 4.640 -0.107 0.000 0.245 488 D C -0.302 176.010 176.300 0.019 0.000 1.079 488 D CA 0.030 54.027 54.000 -0.005 0.000 0.854 488 D CB 2.349 43.145 40.800 -0.005 0.000 1.148 488 D HN 0.464 nan 8.370 nan 0.000 0.456 489 V N -0.097 119.843 119.914 0.045 0.000 3.001 489 V HA 0.477 4.533 4.120 -0.107 0.000 0.314 489 V C -0.102 176.061 176.094 0.115 0.000 1.099 489 V CA -1.235 61.119 62.300 0.089 0.000 0.989 489 V CB 1.684 33.580 31.823 0.121 0.000 1.040 489 V HN 0.348 nan 8.190 nan 0.000 0.434 490 N N 2.070 120.847 118.700 0.129 0.000 2.483 490 N HA 0.290 4.965 4.740 -0.107 0.000 0.264 490 N C -0.175 175.419 175.510 0.140 0.000 1.197 490 N CA -0.145 52.955 53.050 0.083 0.000 0.927 490 N CB 0.727 39.243 38.487 0.048 0.000 1.065 490 N HN 0.858 nan 8.380 nan 0.000 0.461 491 M N 3.001 122.636 119.600 0.059 0.000 2.268 491 M HA 0.017 4.432 4.480 -0.107 0.000 0.349 491 M C -0.563 175.665 176.300 -0.120 0.000 1.485 491 M CA 0.200 55.529 55.300 0.049 0.000 1.094 491 M CB 0.139 32.755 32.600 0.027 0.000 1.843 491 M HN 0.534 nan 8.290 nan 0.000 0.460 492 N N 4.710 123.130 118.700 -0.467 0.000 2.361 492 N HA 0.254 4.929 4.740 -0.107 0.000 0.302 492 N C 0.818 176.022 175.510 -0.510 0.000 1.074 492 N CA -0.412 52.253 53.050 -0.641 0.000 0.850 492 N CB 1.265 38.990 38.487 -1.269 0.000 1.228 492 N HN 0.900 nan 8.380 nan 0.000 0.491 493 I N -0.517 119.825 120.570 -0.379 0.000 2.800 493 I HA -0.086 4.019 4.170 -0.107 0.000 0.266 493 I C 0.260 176.036 176.117 -0.569 0.000 1.249 493 I CA 1.201 62.237 61.300 -0.438 0.000 1.458 493 I CB -0.312 37.375 38.000 -0.523 0.000 1.093 493 I HN 0.230 nan 8.210 nan 0.000 0.466 494 F N 0.060 119.811 119.950 -0.331 0.000 2.727 494 F HA 0.294 4.757 4.527 -0.107 0.000 0.302 494 F C 0.413 176.107 175.800 -0.175 0.000 1.097 494 F CA -0.517 57.288 58.000 -0.325 0.000 1.330 494 F CB -0.285 38.402 39.000 -0.521 0.000 1.084 494 F HN -0.051 nan 8.300 nan 0.000 0.578 495 Y N 1.268 121.481 120.300 -0.145 0.000 2.320 495 Y HA 0.210 4.695 4.550 -0.107 0.000 0.324 495 Y C 1.702 177.525 175.900 -0.129 0.000 1.190 495 Y CA -2.148 55.864 58.100 -0.146 0.000 1.215 495 Y CB 0.813 39.217 38.460 -0.093 0.000 1.221 495 Y HN 0.063 nan 8.280 nan 0.000 0.486 496 K N 0.117 120.525 120.400 0.014 0.000 2.148 496 K HA -0.120 4.136 4.320 -0.107 0.000 0.204 496 K C 0.024 176.590 176.600 -0.057 0.000 1.050 496 K CA 2.003 58.256 56.287 -0.055 0.000 0.942 496 K CB -0.196 32.234 32.500 -0.116 0.000 0.724 496 K HN 0.607 nan 8.250 nan 0.000 0.446 497 N N 1.067 119.752 118.700 -0.025 0.000 2.276 497 N HA 0.016 4.692 4.740 -0.107 0.000 0.212 497 N C -0.698 174.747 175.510 -0.108 0.000 1.127 497 N CA -0.427 52.589 53.050 -0.056 0.000 0.834 497 N CB 0.821 39.313 38.487 0.010 0.000 1.014 497 N HN 0.123 nan 8.380 nan 0.000 0.491 498 S N 0.290 115.934 115.700 -0.093 0.000 2.580 498 S HA 0.088 4.494 4.470 -0.107 0.000 0.274 498 S C 1.628 176.030 174.600 -0.329 0.000 1.329 498 S CA -0.786 57.330 58.200 -0.140 0.000 1.036 498 S CB 0.948 64.095 63.200 -0.088 0.000 0.919 498 S HN 0.166 nan 8.310 nan 0.000 0.515 499 V N 2.393 122.060 119.914 -0.412 0.000 2.667 499 V HA 0.319 4.374 4.120 -0.107 0.000 0.252 499 V C 0.112 175.815 176.094 -0.652 0.000 1.065 499 V CA 0.853 62.670 62.300 -0.804 0.000 1.083 499 V CB -0.882 30.540 31.823 -0.669 0.000 0.692 499 V HN 0.646 nan 8.190 nan 0.000 0.468 500 F N 1.298 121.095 119.950 -0.255 0.000 2.460 500 F HA 0.668 5.130 4.527 -0.108 0.000 0.341 500 F C 0.153 175.850 175.800 -0.172 0.000 1.130 500 F CA -1.084 56.812 58.000 -0.174 0.000 0.962 500 F CB 1.899 40.801 39.000 -0.163 0.000 1.171 500 F HN -0.071 nan 8.300 nan 0.000 0.436 501 K N 2.766 123.194 120.400 0.047 0.000 2.221 501 K HA 0.805 5.061 4.320 -0.107 0.000 0.258 501 K C -0.379 176.280 176.600 0.099 0.000 0.944 501 K CA -0.958 55.330 56.287 0.002 0.000 0.823 501 K CB 2.130 34.617 32.500 -0.021 0.000 1.113 501 K HN 0.623 nan 8.250 nan 0.000 0.431 502 A N 2.325 125.129 122.820 -0.025 0.000 2.366 502 A HA 0.198 4.454 4.320 -0.107 0.000 0.249 502 A C -0.486 177.286 177.584 0.314 0.000 1.084 502 A CA -0.320 51.734 52.037 0.029 0.000 0.794 502 A CB 0.039 18.828 19.000 -0.351 0.000 1.034 502 A HN 0.701 nan 8.150 nan 0.000 0.491 503 F N 3.179 123.227 119.950 0.163 0.000 2.578 503 F HA 0.302 4.765 4.527 -0.107 0.000 0.381 503 F C -1.312 174.570 175.800 0.136 0.000 1.069 503 F CA -1.877 56.093 58.000 -0.050 0.000 1.231 503 F CB 0.780 39.601 39.000 -0.298 0.000 1.086 503 F HN 0.351 nan 8.300 nan 0.000 0.564 504 P HA -0.028 nan 4.420 nan 0.000 0.262 504 P C -0.112 176.968 177.300 -0.367 0.000 1.647 504 P CA 0.319 63.214 63.100 -0.341 0.000 0.865 504 P CB -0.248 31.265 31.700 -0.312 0.000 1.834 505 T N -0.023 114.390 114.554 -0.235 0.000 2.844 505 T HA 0.287 4.573 4.350 -0.107 0.000 0.274 505 T C -0.062 174.516 174.700 -0.203 0.000 0.991 505 T CA -0.861 61.137 62.100 -0.169 0.000 0.983 505 T CB 1.001 69.850 68.868 -0.033 0.000 1.310 505 T HN 0.143 nan 8.240 nan 0.000 0.596 506 N N 0.282 118.841 118.700 -0.235 0.000 2.489 506 N HA 0.291 4.966 4.740 -0.107 0.000 0.284 506 N C -1.505 173.734 175.510 -0.452 0.000 1.158 506 N CA -0.273 52.652 53.050 -0.208 0.000 0.965 506 N CB 1.053 39.482 38.487 -0.097 0.000 1.195 506 N HN 0.560 nan 8.380 nan 0.000 0.506 507 Y N -0.564 119.712 120.300 -0.040 0.000 2.633 507 Y HA 0.518 5.004 4.550 -0.108 0.000 0.339 507 Y C -0.171 175.710 175.900 -0.032 0.000 1.045 507 Y CA -0.975 57.116 58.100 -0.015 0.000 1.098 507 Y CB 1.872 40.317 38.460 -0.025 0.000 1.296 507 Y HN 0.267 nan 8.280 nan 0.000 0.494 508 L N 2.084 123.388 121.223 0.135 0.000 2.298 508 L HA 0.803 5.078 4.340 -0.107 0.000 0.284 508 L C -0.443 176.499 176.870 0.121 0.000 1.013 508 L CA -0.750 54.140 54.840 0.084 0.000 0.824 508 L CB 1.210 43.275 42.059 0.010 0.000 1.221 508 L HN 0.724 nan 8.230 nan 0.000 0.418 509 A N 4.657 127.564 122.820 0.146 0.000 2.330 509 A HA 1.016 5.272 4.320 -0.107 0.000 0.329 509 A C -0.605 177.031 177.584 0.087 0.000 1.135 509 A CA -0.538 51.580 52.037 0.136 0.000 0.817 509 A CB 2.009 21.123 19.000 0.190 0.000 1.269 509 A HN 0.749 nan 8.150 nan 0.000 0.469 510 M N 0.201 119.817 119.600 0.026 0.000 2.603 510 M HA 0.767 5.183 4.480 -0.107 0.000 0.275 510 M C -1.356 174.917 176.300 -0.045 0.000 1.226 510 M CA -0.216 55.013 55.300 -0.118 0.000 0.870 510 M CB 1.719 34.160 32.600 -0.265 0.000 1.716 510 M HN 0.575 nan 8.290 nan 0.000 0.482 511 R N 0.957 121.416 120.500 -0.069 0.000 2.740 511 R HA 0.732 5.008 4.340 -0.107 0.000 0.273 511 R C -1.911 174.555 176.300 0.277 0.000 0.998 511 R CA -0.858 55.279 56.100 0.061 0.000 0.900 511 R CB 2.435 32.721 30.300 -0.023 0.000 1.223 511 R HN 0.890 nan 8.270 nan 0.000 0.466 512 Y N -1.556 118.877 120.300 0.223 0.000 2.598 512 Y HA 0.797 5.283 4.550 -0.108 0.000 0.340 512 Y C -0.641 175.149 175.900 -0.183 0.000 1.038 512 Y CA -1.210 56.875 58.100 -0.024 0.000 1.100 512 Y CB 2.037 40.362 38.460 -0.225 0.000 1.281 512 Y HN 0.432 nan 8.280 nan 0.000 0.488 513 S N 0.480 116.022 115.700 -0.263 0.000 2.548 513 S HA 0.370 4.775 4.470 -0.107 0.000 0.276 513 S C -1.076 173.342 174.600 -0.304 0.000 1.129 513 S CA -0.669 57.191 58.200 -0.568 0.000 0.931 513 S CB 1.083 63.398 63.200 -1.475 0.000 1.068 513 S HN 0.797 nan 8.310 nan 0.000 0.480 514 D N 2.280 122.567 120.400 -0.189 0.000 2.398 514 D HA 0.144 4.720 4.640 -0.107 0.000 0.210 514 D C -0.151 176.065 176.300 -0.140 0.000 1.094 514 D CA 0.280 54.203 54.000 -0.127 0.000 0.839 514 D CB 0.517 41.288 40.800 -0.048 0.000 0.963 514 D HN 0.742 nan 8.370 nan 0.000 0.506 515 D N -0.306 119.969 120.400 -0.208 0.000 2.720 515 D HA 0.039 4.614 4.640 -0.107 0.000 0.285 515 D C -0.149 176.055 176.300 -0.160 0.000 1.359 515 D CA -0.344 53.562 54.000 -0.157 0.000 0.818 515 D CB -0.418 40.302 40.800 -0.133 0.000 1.108 515 D HN -0.102 nan 8.370 nan 0.000 0.474 516 E N -0.195 119.900 120.200 -0.175 0.000 2.440 516 E HA -0.210 4.076 4.350 -0.107 0.000 0.246 516 E C 0.966 177.547 176.600 -0.032 0.000 1.165 516 E CA 0.513 56.873 56.400 -0.067 0.000 0.726 516 E CB -1.674 28.045 29.700 0.032 0.000 1.271 516 E HN 0.709 nan 8.360 nan 0.000 0.397 517 G N -1.462 107.078 108.800 -0.434 0.000 2.176 517 G HA2 -0.344 3.551 3.960 -0.107 0.000 0.232 517 G HA3 -0.344 3.551 3.960 -0.107 0.000 0.232 517 G C 0.956 175.746 174.900 -0.183 0.000 0.986 517 G CA 0.547 45.382 45.100 -0.441 0.000 0.643 517 G HN 0.816 nan 8.290 nan 0.000 0.522 518 A N -0.345 122.375 122.820 -0.167 0.000 2.015 518 A HA 0.510 4.766 4.320 -0.107 0.000 0.219 518 A C 1.563 179.089 177.584 -0.096 0.000 1.163 518 A CA 2.397 54.394 52.037 -0.067 0.000 0.646 518 A CB -0.238 18.728 19.000 -0.057 0.000 0.806 518 A HN 2.202 nan 8.150 nan 0.000 0.448 519 S N -3.460 112.082 115.700 -0.263 0.000 2.547 519 S HA 0.595 5.000 4.470 -0.107 0.000 0.270 519 S C -1.430 172.901 174.600 -0.449 0.000 1.150 519 S CA -0.897 57.185 58.200 -0.195 0.000 0.850 519 S CB 0.540 63.672 63.200 -0.115 0.000 1.118 519 S HN 0.366 nan 8.310 nan 0.000 0.461 520 W N 1.477 122.670 121.300 -0.179 0.000 2.864 520 W HA 0.692 5.287 4.660 -0.108 0.000 0.343 520 W C 0.663 177.003 176.519 -0.298 0.000 1.109 520 W CA -0.448 56.743 57.345 -0.257 0.000 1.192 520 W CB 1.955 31.262 29.460 -0.255 0.000 1.426 520 W HN 0.956 nan 8.180 nan 0.000 0.529 521 S N 0.263 115.810 115.700 -0.255 0.000 2.626 521 S HA 0.219 4.624 4.470 -0.107 0.000 0.257 521 S C -0.048 174.472 174.600 -0.134 0.000 1.288 521 S CA -0.606 57.366 58.200 -0.380 0.000 0.980 521 S CB 0.470 63.088 63.200 -0.970 0.000 0.975 521 S HN 0.401 nan 8.310 nan 0.000 0.577 522 D N 0.121 120.471 120.400 -0.083 0.000 2.362 522 D HA 0.196 4.772 4.640 -0.107 0.000 0.238 522 D C -0.040 176.290 176.300 0.051 0.000 1.212 522 D CA -0.330 53.672 54.000 0.002 0.000 0.902 522 D CB 0.003 40.814 40.800 0.018 0.000 1.180 522 D HN 0.435 nan 8.370 nan 0.000 0.445 523 L N 1.916 123.206 121.223 0.112 0.000 2.500 523 L HA 0.074 4.350 4.340 -0.107 0.000 0.272 523 L C -0.248 176.787 176.870 0.274 0.000 1.149 523 L CA 0.396 55.348 54.840 0.186 0.000 0.897 523 L CB 0.014 42.254 42.059 0.303 0.000 1.178 523 L HN 0.168 nan 8.230 nan 0.000 0.473 524 D N 5.640 126.172 120.400 0.221 0.000 2.392 524 D HA 0.263 4.839 4.640 -0.107 0.000 0.228 524 D C -0.421 176.016 176.300 0.228 0.000 1.074 524 D CA -0.204 53.951 54.000 0.257 0.000 0.838 524 D CB 0.576 41.533 40.800 0.262 0.000 1.067 524 D HN 0.436 nan 8.370 nan 0.000 0.511 525 I N 4.679 125.404 120.570 0.258 0.000 2.281 525 I HA 0.025 4.130 4.170 -0.107 0.000 0.293 525 I C 1.639 177.864 176.117 0.180 0.000 1.085 525 I CA -0.513 60.910 61.300 0.205 0.000 1.257 525 I CB 1.345 39.450 38.000 0.176 0.000 1.430 525 I HN 0.307 nan 8.210 nan 0.000 0.489 526 V N 1.903 121.858 119.914 0.068 0.000 3.649 526 V HA 0.011 4.067 4.120 -0.107 0.000 0.275 526 V C 1.477 177.260 176.094 -0.519 0.000 1.281 526 V CA 0.607 62.863 62.300 -0.073 0.000 1.143 526 V CB -0.189 31.610 31.823 -0.040 0.000 0.892 526 V HN 0.796 nan 8.190 nan 0.000 0.441 527 S N 0.802 116.236 115.700 -0.443 0.000 2.768 527 S HA 0.065 4.470 4.470 -0.107 0.000 0.246 527 S C 1.647 175.701 174.600 -0.909 0.000 1.006 527 S CA 0.314 58.020 58.200 -0.823 0.000 1.075 527 S CB -0.581 62.443 63.200 -0.295 0.000 0.786 527 S HN 0.876 nan 8.310 nan 0.000 0.468 528 S N 1.748 116.771 115.700 -1.129 0.000 2.447 528 S HA -0.111 4.294 4.470 -0.107 0.000 0.233 528 S C 1.353 175.510 174.600 -0.737 0.000 1.006 528 S CA 0.452 57.732 58.200 -1.535 0.000 0.957 528 S CB -1.070 61.499 63.200 -1.052 0.000 0.773 528 S HN 0.786 nan 8.310 nan 0.000 0.507 529 F N 1.221 120.973 119.950 -0.330 0.000 2.802 529 F HA 0.443 4.905 4.527 -0.108 0.000 0.300 529 F C 0.621 176.278 175.800 -0.238 0.000 1.168 529 F CA -1.315 56.568 58.000 -0.194 0.000 1.433 529 F CB -0.909 38.053 39.000 -0.063 0.000 1.115 529 F HN -0.008 nan 8.300 nan 0.000 0.582 530 K N 3.624 123.978 120.400 -0.076 0.000 2.430 530 K HA 0.065 4.321 4.320 -0.107 0.000 0.280 530 K C -2.384 174.178 176.600 -0.063 0.000 1.063 530 K CA -1.512 54.719 56.287 -0.093 0.000 1.071 530 K CB 0.113 32.532 32.500 -0.136 0.000 0.899 530 K HN 0.014 nan 8.250 nan 0.000 0.473 531 P HA -0.057 nan 4.420 nan 0.000 0.262 531 P C -0.475 176.808 177.300 -0.028 0.000 1.182 531 P CA 0.303 63.395 63.100 -0.014 0.000 0.761 531 P CB 0.639 32.345 31.700 0.010 0.000 0.795 532 E N 1.630 121.820 120.200 -0.017 0.000 2.333 532 E HA -0.120 4.166 4.350 -0.107 0.000 0.198 532 E C 1.363 177.949 176.600 -0.023 0.000 1.007 532 E CA 0.602 56.984 56.400 -0.029 0.000 0.845 532 E CB -0.108 29.574 29.700 -0.030 0.000 0.766 532 E HN 0.199 nan 8.360 nan 0.000 0.507 533 V N 0.910 120.815 119.914 -0.015 0.000 3.649 533 V HA 0.005 4.060 4.120 -0.107 0.000 0.275 533 V C 0.358 176.434 176.094 -0.031 0.000 1.281 533 V CA 0.275 62.567 62.300 -0.014 0.000 1.143 533 V CB 0.101 31.921 31.823 -0.006 0.000 0.892 533 V HN 0.176 nan 8.190 nan 0.000 0.441 534 S N -0.807 114.864 115.700 -0.049 0.000 2.554 534 S HA 0.295 4.700 4.470 -0.107 0.000 0.278 534 S C 0.878 175.430 174.600 -0.080 0.000 1.242 534 S CA -0.297 57.844 58.200 -0.098 0.000 1.051 534 S CB 1.659 64.779 63.200 -0.135 0.000 0.986 534 S HN 0.412 nan 8.310 nan 0.000 0.502 535 K N 1.092 121.413 120.400 -0.131 0.000 2.067 535 K HA 0.129 4.384 4.320 -0.107 0.000 0.203 535 K C -0.200 176.424 176.600 0.040 0.000 1.048 535 K CA 0.727 56.995 56.287 -0.032 0.000 0.954 535 K CB -0.035 32.461 32.500 -0.007 0.000 0.737 535 K HN 0.787 nan 8.250 nan 0.000 0.444 536 F N -0.668 119.244 119.950 -0.063 0.000 2.619 536 F HA 0.547 5.009 4.527 -0.107 0.000 0.308 536 F C -1.635 174.079 175.800 -0.142 0.000 1.097 536 F CA -1.695 56.238 58.000 -0.112 0.000 0.953 536 F CB 1.145 40.080 39.000 -0.110 0.000 1.287 536 F HN -0.220 nan 8.300 nan 0.000 0.446 537 L N 4.997 126.244 121.223 0.039 0.000 2.457 537 L HA 0.792 5.068 4.340 -0.107 0.000 0.266 537 L C -1.269 175.565 176.870 -0.060 0.000 0.979 537 L CA -0.643 54.152 54.840 -0.076 0.000 0.857 537 L CB 1.384 43.347 42.059 -0.160 0.000 1.213 537 L HN 0.892 nan 8.230 nan 0.000 0.418 538 V N 2.544 122.367 119.914 -0.152 0.000 3.155 538 V HA 0.857 4.913 4.120 -0.107 0.000 0.313 538 V C -0.038 175.910 176.094 -0.243 0.000 1.162 538 V CA -0.483 61.683 62.300 -0.224 0.000 1.048 538 V CB 1.656 33.275 31.823 -0.340 0.000 1.092 538 V HN 0.655 nan 8.190 nan 0.000 0.447 539 V N -1.013 118.832 119.914 -0.115 0.000 2.904 539 V HA 0.869 4.925 4.120 -0.107 0.000 0.305 539 V C 0.661 176.818 176.094 0.105 0.000 1.067 539 V CA 0.279 62.567 62.300 -0.020 0.000 1.044 539 V CB 0.973 32.810 31.823 0.022 0.000 1.050 539 V HN 1.493 nan 8.190 nan 0.000 0.475 540 G N 3.397 112.280 108.800 0.137 0.000 2.475 540 G HA2 0.557 4.452 3.960 -0.107 0.000 0.322 540 G HA3 0.557 4.452 3.960 -0.107 0.000 0.322 540 G C -2.212 172.776 174.900 0.147 0.000 1.044 540 G CA -1.330 43.887 45.100 0.195 0.000 1.047 540 G HN 0.787 nan 8.290 nan 0.000 0.436 541 P HA 0.233 nan 4.420 nan 0.000 0.266 541 P C 0.885 178.285 177.300 0.166 0.000 1.193 541 P CA 1.048 64.258 63.100 0.185 0.000 0.770 541 P CB 1.703 33.550 31.700 0.245 0.000 0.836 542 G N 2.657 111.570 108.800 0.187 0.000 2.013 542 G HA2 0.051 3.947 3.960 -0.107 0.000 0.076 542 G HA3 0.051 3.947 3.960 -0.107 0.000 0.076 542 G C -0.746 174.284 174.900 0.217 0.000 1.053 542 G CA 0.049 45.264 45.100 0.192 0.000 1.230 542 G HN 0.752 nan 8.290 nan 0.000 0.431 543 I N -0.754 119.943 120.570 0.213 0.000 3.042 543 I HA 0.902 5.008 4.170 -0.107 0.000 0.310 543 I C 0.560 176.810 176.117 0.222 0.000 1.117 543 I CA -0.589 60.856 61.300 0.242 0.000 1.003 543 I CB 1.876 40.024 38.000 0.246 0.000 1.228 543 I HN 1.044 nan 8.210 nan 0.000 0.443 544 G N 1.656 110.605 108.800 0.248 0.000 2.583 544 G HA2 0.628 4.524 3.960 -0.107 0.000 0.280 544 G HA3 0.628 4.524 3.960 -0.107 0.000 0.280 544 G C -1.307 173.733 174.900 0.234 0.000 1.376 544 G CA -0.473 44.759 45.100 0.219 0.000 1.043 544 G HN 0.789 nan 8.290 nan 0.000 0.538 545 K N -0.904 119.632 120.400 0.228 0.000 2.525 545 K HA 0.423 4.678 4.320 -0.107 0.000 0.254 545 K C -1.123 175.589 176.600 0.187 0.000 0.934 545 K CA -0.561 55.848 56.287 0.204 0.000 0.802 545 K CB 1.975 34.589 32.500 0.190 0.000 1.295 545 K HN 0.527 nan 8.250 nan 0.000 0.433 546 Q N 4.872 124.771 119.800 0.166 0.000 2.322 546 Q HA 0.450 4.726 4.340 -0.107 0.000 0.265 546 Q C -0.711 175.344 176.000 0.092 0.000 0.985 546 Q CA -0.727 55.156 55.803 0.134 0.000 0.849 546 Q CB 1.042 29.874 28.738 0.157 0.000 1.274 546 Q HN 0.722 nan 8.270 nan 0.000 0.449 547 I N 3.195 123.797 120.570 0.053 0.000 2.598 547 I HA -0.053 4.053 4.170 -0.107 0.000 0.284 547 I C 1.268 177.402 176.117 0.027 0.000 1.140 547 I CA 0.224 61.538 61.300 0.023 0.000 1.420 547 I CB 1.047 39.034 38.000 -0.022 0.000 1.387 547 I HN 0.797 nan 8.210 nan 0.000 0.553 548 S N 2.574 118.290 115.700 0.027 0.000 2.503 548 S HA 0.066 4.472 4.470 -0.107 0.000 0.217 548 S C 0.697 175.305 174.600 0.015 0.000 0.999 548 S CA -0.029 58.189 58.200 0.029 0.000 0.914 548 S CB 0.372 63.591 63.200 0.032 0.000 0.782 548 S HN 0.736 nan 8.310 nan 0.000 0.520 549 T N -0.507 114.049 114.554 0.002 0.000 2.816 549 T HA 0.605 4.890 4.350 -0.107 0.000 0.299 549 T C -0.155 174.535 174.700 -0.017 0.000 1.230 549 T CA 0.507 62.605 62.100 -0.004 0.000 1.007 549 T CB 1.053 69.922 68.868 0.001 0.000 1.289 549 T HN 1.344 nan 8.240 nan 0.000 0.508 550 G N 1.782 110.572 108.800 -0.017 0.000 2.660 550 G HA2 -0.117 3.779 3.960 -0.107 0.000 0.247 550 G HA3 -0.117 3.779 3.960 -0.107 0.000 0.247 550 G C 0.399 175.276 174.900 -0.037 0.000 1.328 550 G CA 0.347 45.430 45.100 -0.028 0.000 0.884 550 G HN 0.666 nan 8.290 nan 0.000 0.531 551 E N 0.190 120.360 120.200 -0.050 0.000 2.204 551 E HA -0.098 4.187 4.350 -0.107 0.000 0.195 551 E C 1.955 178.514 176.600 -0.068 0.000 0.990 551 E CA 1.533 57.900 56.400 -0.055 0.000 0.821 551 E CB -0.142 29.520 29.700 -0.063 0.000 0.750 551 E HN 0.495 nan 8.360 nan 0.000 0.477 552 N N 0.093 118.741 118.700 -0.086 0.000 2.251 552 N HA 0.158 4.834 4.740 -0.107 0.000 0.217 552 N C -0.317 175.146 175.510 -0.078 0.000 1.124 552 N CA -0.069 52.918 53.050 -0.106 0.000 0.843 552 N CB 0.753 39.143 38.487 -0.161 0.000 1.024 552 N HN 0.002 nan 8.380 nan 0.000 0.501 553 A N 0.263 123.054 122.820 -0.048 0.000 2.567 553 A HA 0.413 4.669 4.320 -0.107 0.000 0.240 553 A C 1.584 179.159 177.584 -0.016 0.000 1.053 553 A CA 0.896 52.920 52.037 -0.022 0.000 0.755 553 A CB -0.387 18.610 19.000 -0.006 0.000 0.978 553 A HN 0.479 nan 8.150 nan 0.000 0.507 554 G N 1.384 110.185 108.800 0.002 0.000 2.254 554 G HA2 -0.237 3.659 3.960 -0.107 0.000 0.225 554 G HA3 -0.237 3.659 3.960 -0.107 0.000 0.225 554 G C 0.566 175.435 174.900 -0.050 0.000 1.003 554 G CA 0.345 45.450 45.100 0.008 0.000 0.622 554 G HN 1.102 nan 8.290 nan 0.000 0.507 555 R N 0.633 121.093 120.500 -0.066 0.000 2.570 555 R HA 0.431 4.707 4.340 -0.107 0.000 0.277 555 R C -0.392 175.904 176.300 -0.006 0.000 1.039 555 R CA -0.256 55.798 56.100 -0.076 0.000 1.065 555 R CB 0.073 30.307 30.300 -0.109 0.000 0.964 555 R HN 0.085 nan 8.270 nan 0.000 0.428 556 L N 5.686 126.905 121.223 -0.006 0.000 2.295 556 L HA 0.455 4.731 4.340 -0.107 0.000 0.285 556 L C -0.800 176.219 176.870 0.249 0.000 1.035 556 L CA -0.385 54.516 54.840 0.102 0.000 0.806 556 L CB 1.470 43.536 42.059 0.012 0.000 1.214 556 L HN 0.570 nan 8.230 nan 0.000 0.426 557 L N 4.002 125.402 121.223 0.296 0.000 2.401 557 L HA 0.759 5.035 4.340 -0.107 0.000 0.266 557 L C -0.755 176.281 176.870 0.277 0.000 0.991 557 L CA -0.507 54.541 54.840 0.347 0.000 0.818 557 L CB 2.313 44.534 42.059 0.271 0.000 1.321 557 L HN 0.139 nan 8.230 nan 0.000 0.413 558 V N 2.843 122.890 119.914 0.222 0.000 2.577 558 V HA 0.521 4.577 4.120 -0.107 0.000 0.303 558 V C -2.302 173.854 176.094 0.103 0.000 1.042 558 V CA -1.446 60.856 62.300 0.004 0.000 0.872 558 V CB 2.307 33.836 31.823 -0.490 0.000 0.998 558 V HN 0.573 nan 8.190 nan 0.000 0.423 559 P HA 0.397 nan 4.420 nan 0.000 0.275 559 P C -1.339 175.876 177.300 -0.141 0.000 1.227 559 P CA -0.187 62.848 63.100 -0.109 0.000 0.781 559 P CB 1.794 33.464 31.700 -0.051 0.000 0.906 560 L N 3.420 124.492 121.223 -0.252 0.000 2.303 560 L HA 0.628 4.903 4.340 -0.107 0.000 0.256 560 L C -0.378 176.476 176.870 -0.026 0.000 1.034 560 L CA -0.996 53.785 54.840 -0.099 0.000 0.832 560 L CB 1.275 43.318 42.059 -0.028 0.000 1.403 560 L HN 0.519 nan 8.230 nan 0.000 0.419 561 Y N -1.603 118.675 120.300 -0.037 0.000 2.581 561 Y HA 0.826 5.312 4.550 -0.108 0.000 0.337 561 Y C -0.841 175.102 175.900 0.072 0.000 1.108 561 Y CA -1.000 57.095 58.100 -0.007 0.000 1.033 561 Y CB 1.607 40.070 38.460 0.005 0.000 1.318 561 Y HN 0.602 nan 8.280 nan 0.000 0.459 562 S N 1.267 117.026 115.700 0.098 0.000 2.643 562 S HA 0.650 5.056 4.470 -0.107 0.000 0.270 562 S C -1.720 172.609 174.600 -0.451 0.000 1.166 562 S CA -1.199 56.834 58.200 -0.279 0.000 0.815 562 S CB 1.874 64.931 63.200 -0.238 0.000 1.139 562 S HN 0.847 nan 8.310 nan 0.000 0.472 563 K N 1.269 121.096 120.400 -0.954 0.000 2.414 563 K HA 0.758 5.013 4.320 -0.107 0.000 0.251 563 K C -0.296 176.085 176.600 -0.365 0.000 1.037 563 K CA 0.372 56.293 56.287 -0.610 0.000 0.980 563 K CB 0.140 32.183 32.500 -0.762 0.000 1.280 563 K HN 1.018 nan 8.250 nan 0.000 0.451 564 S N 0.756 116.342 115.700 -0.190 0.000 3.554 564 S HA 0.162 4.568 4.470 -0.107 0.000 0.300 564 S C 0.420 174.994 174.600 -0.043 0.000 1.181 564 S CA -0.243 57.895 58.200 -0.103 0.000 1.296 564 S CB 0.066 63.209 63.200 -0.093 0.000 1.613 564 S HN 0.136 nan 8.310 nan 0.000 0.487 565 S N 1.127 116.823 115.700 -0.007 0.000 2.453 565 S HA 0.550 4.956 4.470 -0.107 0.000 0.231 565 S C 0.721 175.330 174.600 0.015 0.000 1.005 565 S CA 0.817 59.023 58.200 0.011 0.000 0.949 565 S CB -0.515 62.704 63.200 0.031 0.000 0.774 565 S HN 1.100 nan 8.310 nan 0.000 0.510 566 A N 0.138 122.972 122.820 0.023 0.000 2.515 566 A HA 0.691 4.947 4.320 -0.107 0.000 0.296 566 A C 0.295 177.886 177.584 0.011 0.000 1.094 566 A CA -0.653 51.398 52.037 0.022 0.000 0.718 566 A CB 1.223 20.245 19.000 0.037 0.000 1.307 566 A HN 0.108 nan 8.150 nan 0.000 0.408 567 E N -0.264 119.939 120.200 0.006 0.000 2.067 567 E HA 0.111 4.396 4.350 -0.107 0.000 0.194 567 E C 0.027 176.643 176.600 0.026 0.000 0.950 567 E CA -0.028 56.385 56.400 0.022 0.000 0.872 567 E CB 0.027 29.733 29.700 0.011 0.000 0.877 567 E HN 0.535 nan 8.360 nan 0.000 0.470 568 L N 0.783 121.977 121.223 -0.048 0.000 2.426 568 L HA 0.385 4.660 4.340 -0.107 0.000 0.271 568 L C -0.024 176.717 176.870 -0.214 0.000 1.169 568 L CA 0.637 55.375 54.840 -0.170 0.000 0.836 568 L CB 1.122 43.035 42.059 -0.243 0.000 1.112 568 L HN 0.141 nan 8.230 nan 0.000 0.465 569 G N 2.874 111.443 108.800 -0.385 0.000 2.687 569 G HA2 0.682 4.577 3.960 -0.107 0.000 0.291 569 G HA3 0.682 4.577 3.960 -0.107 0.000 0.291 569 G C -1.888 172.647 174.900 -0.608 0.000 1.420 569 G CA -0.525 44.412 45.100 -0.273 0.000 0.796 569 G HN 0.434 nan 8.290 nan 0.000 0.485 570 F N -0.681 119.263 119.950 -0.010 0.000 2.668 570 F HA 0.699 5.161 4.527 -0.108 0.000 0.309 570 F C 0.098 175.952 175.800 0.091 0.000 1.117 570 F CA -0.939 57.094 58.000 0.056 0.000 0.951 570 F CB 2.541 41.607 39.000 0.110 0.000 1.323 570 F HN 0.619 nan 8.300 nan 0.000 0.451 571 M N 2.255 122.051 119.600 0.326 0.000 2.326 571 M HA 0.773 5.189 4.480 -0.107 0.000 0.306 571 M C -1.967 174.634 176.300 0.502 0.000 1.054 571 M CA -0.711 54.737 55.300 0.246 0.000 0.922 571 M CB 2.425 35.130 32.600 0.175 0.000 1.632 571 M HN 0.632 nan 8.290 nan 0.000 0.436 572 Y N -0.337 120.193 120.300 0.385 0.000 2.576 572 Y HA 0.890 5.376 4.550 -0.108 0.000 0.346 572 Y C -1.328 174.536 175.900 -0.061 0.000 1.018 572 Y CA -1.201 57.045 58.100 0.242 0.000 1.050 572 Y CB 1.686 40.199 38.460 0.087 0.000 1.280 572 Y HN 0.856 nan 8.280 nan 0.000 0.474 573 S N 0.651 116.231 115.700 -0.200 0.000 2.571 573 S HA 0.381 4.787 4.470 -0.107 0.000 0.284 573 S C -0.999 173.436 174.600 -0.275 0.000 1.128 573 S CA -0.628 57.227 58.200 -0.574 0.000 0.970 573 S CB 1.091 63.381 63.200 -1.516 0.000 1.039 573 S HN 0.797 nan 8.310 nan 0.000 0.485 574 D N 1.992 122.275 120.400 -0.195 0.000 2.398 574 D HA 0.118 4.693 4.640 -0.107 0.000 0.210 574 D C -0.062 176.059 176.300 -0.298 0.000 1.094 574 D CA 0.316 54.205 54.000 -0.186 0.000 0.839 574 D CB 0.420 41.182 40.800 -0.063 0.000 0.963 574 D HN 0.740 nan 8.370 nan 0.000 0.506 575 D N -0.948 119.274 120.400 -0.297 0.000 2.892 575 D HA 0.040 4.615 4.640 -0.107 0.000 0.291 575 D C -0.340 175.883 176.300 -0.127 0.000 1.341 575 D CA -0.827 53.054 54.000 -0.198 0.000 0.844 575 D CB -0.936 39.818 40.800 -0.076 0.000 1.093 575 D HN 0.010 nan 8.370 nan 0.000 0.480 576 H N -0.491 118.524 119.070 -0.092 0.000 2.791 576 H HA -0.098 4.393 4.556 -0.108 0.000 0.302 576 H C 1.512 176.857 175.328 0.028 0.000 1.198 576 H CA 1.034 57.075 56.048 -0.012 0.000 1.145 576 H CB -1.470 28.322 29.762 0.049 0.000 1.385 576 H HN 0.604 nan 8.280 nan 0.000 0.409 577 G N -1.173 107.506 108.800 -0.202 0.000 2.194 577 G HA2 -0.321 3.574 3.960 -0.107 0.000 0.236 577 G HA3 -0.321 3.574 3.960 -0.107 0.000 0.236 577 G C 0.923 175.878 174.900 0.092 0.000 0.987 577 G CA 0.402 45.420 45.100 -0.136 0.000 0.635 577 G HN 0.485 nan 8.290 nan 0.000 0.520 578 D N 0.703 121.112 120.400 0.016 0.000 2.144 578 D HA 0.032 4.607 4.640 -0.107 0.000 0.200 578 D C 1.031 177.386 176.300 0.092 0.000 0.978 578 D CA 1.071 55.134 54.000 0.104 0.000 0.833 578 D CB 0.079 40.922 40.800 0.071 0.000 0.961 578 D HN 0.532 nan 8.370 nan 0.000 0.470 579 N N -0.715 117.915 118.700 -0.117 0.000 2.242 579 N HA 0.233 4.909 4.740 -0.107 0.000 0.292 579 N C -1.307 174.013 175.510 -0.317 0.000 1.125 579 N CA -0.510 52.511 53.050 -0.047 0.000 0.783 579 N CB 1.871 40.349 38.487 -0.016 0.000 1.558 579 N HN -0.060 nan 8.380 nan 0.000 0.472 580 W N 0.093 121.448 121.300 0.093 0.000 2.761 580 W HA 0.457 5.053 4.660 -0.107 0.000 0.340 580 W C -0.168 176.341 176.519 -0.017 0.000 1.072 580 W CA -0.381 57.002 57.345 0.063 0.000 1.215 580 W CB 1.673 31.276 29.460 0.239 0.000 1.420 580 W HN 0.128 nan 8.180 nan 0.000 0.519 581 T N 2.147 116.611 114.554 -0.150 0.000 2.824 581 T HA 0.248 4.533 4.350 -0.107 0.000 0.282 581 T C -1.580 172.839 174.700 -0.468 0.000 0.993 581 T CA -0.483 61.385 62.100 -0.387 0.000 0.967 581 T CB 0.840 69.238 68.868 -0.782 0.000 0.960 581 T HN 0.203 nan 8.240 nan 0.000 0.441 582 Y N 3.425 123.317 120.300 -0.680 0.000 2.308 582 Y HA 0.610 5.095 4.550 -0.108 0.000 0.329 582 Y C -0.934 174.821 175.900 -0.241 0.000 1.111 582 Y CA -0.951 56.714 58.100 -0.724 0.000 1.179 582 Y CB 0.704 38.466 38.460 -1.163 0.000 1.201 582 Y HN 0.372 nan 8.280 nan 0.000 0.483 583 V N 6.262 125.741 119.914 -0.725 0.000 2.588 583 V HA 0.287 4.342 4.120 -0.107 0.000 0.304 583 V C -0.842 174.867 176.094 -0.642 0.000 1.042 583 V CA -1.141 60.888 62.300 -0.452 0.000 0.877 583 V CB 1.809 33.699 31.823 0.111 0.000 0.996 583 V HN 0.734 nan 8.190 nan 0.000 0.425 584 E N 2.617 122.537 120.200 -0.466 0.000 2.200 584 E HA 0.492 4.777 4.350 -0.107 0.000 0.283 584 E C 0.464 177.061 176.600 -0.004 0.000 1.015 584 E CA -0.173 56.082 56.400 -0.242 0.000 0.819 584 E CB 1.891 31.513 29.700 -0.131 0.000 1.081 584 E HN 0.805 nan 8.360 nan 0.000 0.397 585 A N 3.747 126.588 122.820 0.036 0.000 2.238 585 A HA 0.043 4.299 4.320 -0.107 0.000 0.210 585 A C 0.121 177.762 177.584 0.095 0.000 1.179 585 A CA 0.605 52.722 52.037 0.133 0.000 0.827 585 A CB -0.125 18.878 19.000 0.004 0.000 0.856 585 A HN 0.716 nan 8.150 nan 0.000 0.488 586 D N -2.867 117.558 120.400 0.041 0.000 2.768 586 D HA 0.239 4.815 4.640 -0.107 0.000 0.327 586 D C -0.593 175.720 176.300 0.022 0.000 1.302 586 D CA -0.244 53.776 54.000 0.034 0.000 0.897 586 D CB 0.012 40.821 40.800 0.015 0.000 1.420 586 D HN -0.058 nan 8.370 nan 0.000 0.494 587 N N -0.297 118.414 118.700 0.018 0.000 2.338 587 N HA 0.172 4.847 4.740 -0.107 0.000 0.251 587 N C -0.809 174.706 175.510 0.008 0.000 1.199 587 N CA -0.402 52.657 53.050 0.014 0.000 0.879 587 N CB -0.138 38.358 38.487 0.014 0.000 1.159 587 N HN 0.442 nan 8.380 nan 0.000 0.514 588 L N 0.986 122.212 121.223 0.005 0.000 2.319 588 L HA 0.269 4.544 4.340 -0.107 0.000 0.280 588 L C 1.220 178.089 176.870 -0.002 0.000 1.099 588 L CA -0.177 54.664 54.840 0.002 0.000 0.828 588 L CB 1.112 43.171 42.059 -0.001 0.000 1.150 588 L HN 0.234 nan 8.230 nan 0.000 0.442 589 T N -2.511 112.041 114.554 -0.003 0.000 3.069 589 T HA 0.062 4.348 4.350 -0.107 0.000 0.252 589 T C 1.517 176.212 174.700 -0.009 0.000 1.053 589 T CA 0.290 62.384 62.100 -0.011 0.000 0.964 589 T CB 0.454 69.319 68.868 -0.006 0.000 1.005 589 T HN 0.687 nan 8.240 nan 0.000 0.532 590 G N 1.353 110.155 108.800 0.004 0.000 2.534 590 G HA2 0.344 4.239 3.960 -0.107 0.000 0.217 590 G HA3 0.344 4.239 3.960 -0.107 0.000 0.217 590 G C 1.366 176.288 174.900 0.037 0.000 1.128 590 G CA 0.076 45.188 45.100 0.020 0.000 0.784 590 G HN 1.224 nan 8.290 nan 0.000 0.542 591 G N -0.534 108.279 108.800 0.022 0.000 2.221 591 G HA2 0.102 3.998 3.960 -0.107 0.000 0.265 591 G HA3 0.102 3.998 3.960 -0.107 0.000 0.265 591 G C 0.561 175.579 174.900 0.196 0.000 1.041 591 G CA 0.474 45.611 45.100 0.061 0.000 0.807 591 G HN 1.297 nan 8.290 nan 0.000 0.502 592 A N -0.606 122.285 122.820 0.119 0.000 2.366 592 A HA 0.652 4.908 4.320 -0.107 0.000 0.250 592 A C 1.108 178.734 177.584 0.070 0.000 1.099 592 A CA 0.958 53.052 52.037 0.095 0.000 0.794 592 A CB 0.299 19.314 19.000 0.025 0.000 1.056 592 A HN 0.915 nan 8.150 nan 0.000 0.499 593 T N 1.907 116.438 114.554 -0.039 0.000 3.781 593 T HA 0.368 4.653 4.350 -0.107 0.000 0.286 593 T C 0.596 174.955 174.700 -0.567 0.000 1.277 593 T CA 0.590 62.483 62.100 -0.344 0.000 1.136 593 T CB -0.451 68.316 68.868 -0.168 0.000 1.202 593 T HN 0.841 nan 8.240 nan 0.000 0.884 594 A N 3.143 125.589 122.820 -0.625 0.000 3.074 594 A HA 0.222 4.477 4.320 -0.107 0.000 0.251 594 A C 0.608 177.923 177.584 -0.449 0.000 1.695 594 A CA -0.529 51.265 52.037 -0.404 0.000 1.343 594 A CB -0.494 18.400 19.000 -0.177 0.000 1.078 594 A HN 0.696 nan 8.150 nan 0.000 0.644 595 E N 0.666 120.549 120.200 -0.528 0.000 2.376 595 E HA 0.427 4.713 4.350 -0.107 0.000 0.266 595 E C 0.281 176.799 176.600 -0.136 0.000 1.009 595 E CA 0.397 56.656 56.400 -0.235 0.000 0.902 595 E CB 0.789 30.377 29.700 -0.187 0.000 0.972 595 E HN 0.623 nan 8.360 nan 0.000 0.439 596 A N 3.233 126.017 122.820 -0.060 0.000 2.569 596 A HA 0.561 4.817 4.320 -0.107 0.000 0.290 596 A C -1.240 176.366 177.584 0.037 0.000 1.136 596 A CA -0.850 51.165 52.037 -0.038 0.000 0.710 596 A CB 1.856 20.793 19.000 -0.105 0.000 1.303 596 A HN 0.445 nan 8.150 nan 0.000 0.413 597 Q N -0.060 119.800 119.800 0.099 0.000 2.421 597 Q HA 0.597 4.872 4.340 -0.107 0.000 0.280 597 Q C -1.460 174.674 176.000 0.222 0.000 1.085 597 Q CA -0.308 55.591 55.803 0.160 0.000 0.807 597 Q CB 2.271 31.103 28.738 0.157 0.000 1.405 597 Q HN 0.679 nan 8.270 nan 0.000 0.419 598 I N 0.706 121.420 120.570 0.240 0.000 2.441 598 I HA 0.587 4.693 4.170 -0.107 0.000 0.295 598 I C -0.318 175.949 176.117 0.249 0.000 0.994 598 I CA -1.022 60.433 61.300 0.259 0.000 1.144 598 I CB 1.978 40.138 38.000 0.266 0.000 1.314 598 I HN 0.104 nan 8.210 nan 0.000 0.445 599 V N 4.794 124.863 119.914 0.259 0.000 2.823 599 V HA 0.348 4.403 4.120 -0.107 0.000 0.312 599 V C -0.441 175.746 176.094 0.155 0.000 1.072 599 V CA -0.610 61.822 62.300 0.220 0.000 0.937 599 V CB 2.379 34.366 31.823 0.274 0.000 1.013 599 V HN 0.768 nan 8.190 nan 0.000 0.430 600 E N 3.750 124.009 120.200 0.098 0.000 2.204 600 E HA 0.483 4.768 4.350 -0.107 0.000 0.276 600 E C -0.828 175.751 176.600 -0.034 0.000 0.974 600 E CA -0.757 55.664 56.400 0.036 0.000 0.815 600 E CB 1.228 30.946 29.700 0.031 0.000 1.119 600 E HN 0.480 nan 8.360 nan 0.000 0.393 601 M N 3.908 123.445 119.600 -0.105 0.000 2.283 601 M HA 0.218 4.634 4.480 -0.107 0.000 0.314 601 M C -1.759 174.388 176.300 -0.254 0.000 1.153 601 M CA -2.388 52.726 55.300 -0.310 0.000 1.084 601 M CB -0.016 32.306 32.600 -0.463 0.000 1.468 601 M HN 0.367 nan 8.290 nan 0.000 0.474 602 P HA -0.190 nan 4.420 nan 0.000 0.217 602 P C 0.414 177.707 177.300 -0.012 0.000 1.151 602 P CA 1.496 64.521 63.100 -0.126 0.000 0.849 602 P CB -0.010 31.639 31.700 -0.086 0.000 0.787 603 D N -2.625 117.809 120.400 0.058 0.000 2.339 603 D HA 0.113 4.688 4.640 -0.107 0.000 0.217 603 D C 1.393 177.711 176.300 0.029 0.000 1.050 603 D CA 0.573 54.624 54.000 0.084 0.000 0.856 603 D CB -0.698 40.196 40.800 0.156 0.000 0.922 603 D HN 0.249 nan 8.370 nan 0.000 0.518 604 G N 0.117 108.916 108.800 -0.003 0.000 2.194 604 G HA2 -0.276 3.619 3.960 -0.107 0.000 0.236 604 G HA3 -0.276 3.619 3.960 -0.107 0.000 0.236 604 G C 0.487 175.361 174.900 -0.044 0.000 0.987 604 G CA 0.261 45.346 45.100 -0.025 0.000 0.635 604 G HN 0.749 nan 8.290 nan 0.000 0.520 605 S N 0.050 115.737 115.700 -0.021 0.000 2.596 605 S HA 0.734 5.139 4.470 -0.107 0.000 0.260 605 S C 0.212 174.777 174.600 -0.058 0.000 1.336 605 S CA -0.181 57.987 58.200 -0.054 0.000 0.993 605 S CB 1.545 64.755 63.200 0.017 0.000 0.923 605 S HN 0.809 nan 8.310 nan 0.000 0.567 606 L N 0.275 121.440 121.223 -0.097 0.000 2.370 606 L HA 0.613 4.889 4.340 -0.107 0.000 0.266 606 L C -0.225 176.708 176.870 0.104 0.000 1.002 606 L CA -0.765 54.077 54.840 0.003 0.000 0.818 606 L CB 1.997 44.063 42.059 0.012 0.000 1.325 606 L HN 0.647 nan 8.230 nan 0.000 0.418 607 K N 1.104 121.609 120.400 0.176 0.000 2.426 607 K HA 0.577 4.832 4.320 -0.107 0.000 0.254 607 K C -1.228 175.438 176.600 0.109 0.000 0.936 607 K CA -0.591 55.775 56.287 0.131 0.000 0.801 607 K CB 2.525 35.059 32.500 0.056 0.000 1.139 607 K HN 0.487 nan 8.250 nan 0.000 0.424 608 T N 2.444 117.004 114.554 0.011 0.000 2.797 608 T HA 0.385 4.670 4.350 -0.107 0.000 0.279 608 T C -1.111 173.431 174.700 -0.264 0.000 0.991 608 T CA -0.484 61.595 62.100 -0.035 0.000 0.979 608 T CB 0.315 69.135 68.868 -0.079 0.000 0.943 608 T HN 0.251 nan 8.240 nan 0.000 0.444 609 Y N 3.471 123.813 120.300 0.071 0.000 2.341 609 Y HA 0.682 5.168 4.550 -0.107 0.000 0.337 609 Y C 0.192 176.070 175.900 -0.036 0.000 1.014 609 Y CA -1.173 56.938 58.100 0.020 0.000 1.111 609 Y CB 1.063 39.540 38.460 0.029 0.000 1.194 609 Y HN 0.513 nan 8.280 nan 0.000 0.462 610 L N 0.783 122.023 121.223 0.028 0.000 2.393 610 L HA 0.747 5.022 4.340 -0.107 0.000 0.260 610 L C -0.681 176.134 176.870 -0.092 0.000 1.002 610 L CA -1.453 53.354 54.840 -0.055 0.000 0.818 610 L CB 2.109 44.104 42.059 -0.108 0.000 1.369 610 L HN 0.539 nan 8.230 nan 0.000 0.412 611 R N 0.923 121.340 120.500 -0.139 0.000 2.539 611 R HA 0.624 4.900 4.340 -0.107 0.000 0.275 611 R C -0.495 175.708 176.300 -0.162 0.000 1.077 611 R CA 0.547 56.547 56.100 -0.167 0.000 1.097 611 R CB 1.029 31.206 30.300 -0.204 0.000 1.018 611 R HN 0.994 nan 8.270 nan 0.000 0.483 612 T N -0.447 114.019 114.554 -0.148 0.000 2.864 612 T HA 0.420 4.706 4.350 -0.107 0.000 0.289 612 T C 0.768 175.402 174.700 -0.111 0.000 1.082 612 T CA -0.524 61.504 62.100 -0.120 0.000 1.009 612 T CB 1.674 70.485 68.868 -0.096 0.000 1.234 612 T HN 0.534 nan 8.240 nan 0.000 0.526 613 G N 0.282 109.038 108.800 -0.073 0.000 3.088 613 G HA2 0.396 4.292 3.960 -0.107 0.000 0.212 613 G HA3 0.396 4.292 3.960 -0.107 0.000 0.212 613 G C 0.257 175.125 174.900 -0.053 0.000 1.173 613 G CA -0.273 44.799 45.100 -0.047 0.000 0.779 613 G HN 0.729 nan 8.290 nan 0.000 0.540 614 S N -0.590 115.065 115.700 -0.075 0.000 2.739 614 S HA 0.253 4.659 4.470 -0.107 0.000 0.306 614 S C 0.252 174.786 174.600 -0.111 0.000 1.115 614 S CA -0.694 57.462 58.200 -0.074 0.000 0.985 614 S CB 1.196 64.360 63.200 -0.060 0.000 1.133 614 S HN 0.130 nan 8.310 nan 0.000 0.541 615 N N 0.838 119.476 118.700 -0.104 0.000 2.542 615 N HA 0.204 4.879 4.740 -0.107 0.000 0.234 615 N C -0.479 174.950 175.510 -0.134 0.000 1.257 615 N CA -0.032 52.940 53.050 -0.130 0.000 0.883 615 N CB -0.660 37.763 38.487 -0.106 0.000 1.197 615 N HN 0.604 nan 8.380 nan 0.000 0.488 616 C N -2.573 116.645 119.300 -0.136 0.000 3.311 616 C HA 0.584 4.979 4.460 -0.107 0.000 0.325 616 C C -0.588 174.319 174.990 -0.139 0.000 1.352 616 C CA -1.695 57.240 59.018 -0.138 0.000 1.308 616 C CB 0.086 27.761 27.740 -0.109 0.000 1.619 616 C HN -0.005 nan 8.230 nan 0.000 0.469 617 I N 2.473 122.953 120.570 -0.150 0.000 2.396 617 I HA 0.615 4.721 4.170 -0.107 0.000 0.292 617 I C 0.923 176.998 176.117 -0.069 0.000 0.999 617 I CA 0.360 61.585 61.300 -0.124 0.000 1.310 617 I CB 1.441 39.345 38.000 -0.161 0.000 1.404 617 I HN 1.047 nan 8.210 nan 0.000 0.496 618 A N 5.385 128.176 122.820 -0.048 0.000 2.294 618 A HA 0.714 4.969 4.320 -0.107 0.000 0.330 618 A C -0.482 177.078 177.584 -0.039 0.000 1.133 618 A CA -0.467 51.548 52.037 -0.037 0.000 0.836 618 A CB 0.954 19.922 19.000 -0.053 0.000 1.190 618 A HN 0.709 nan 8.150 nan 0.000 0.492 619 E N 0.296 120.454 120.200 -0.070 0.000 2.248 619 E HA 0.578 4.863 4.350 -0.107 0.000 0.267 619 E C -1.412 175.124 176.600 -0.107 0.000 0.877 619 E CA -0.668 55.605 56.400 -0.212 0.000 0.759 619 E CB 1.827 31.422 29.700 -0.174 0.000 1.182 619 E HN 0.727 nan 8.360 nan 0.000 0.418 620 V N 0.394 120.254 119.914 -0.090 0.000 2.962 620 V HA 0.743 4.799 4.120 -0.107 0.000 0.313 620 V C -0.549 175.690 176.094 0.242 0.000 1.099 620 V CA -0.609 61.753 62.300 0.102 0.000 0.971 620 V CB 1.800 33.714 31.823 0.153 0.000 1.028 620 V HN 0.652 nan 8.190 nan 0.000 0.430 621 T N 2.109 116.831 114.554 0.279 0.000 2.893 621 T HA 0.703 4.988 4.350 -0.107 0.000 0.291 621 T C -0.597 174.050 174.700 -0.088 0.000 1.028 621 T CA -0.483 61.709 62.100 0.154 0.000 0.995 621 T CB 1.691 70.588 68.868 0.049 0.000 1.051 621 T HN 1.035 nan 8.240 nan 0.000 0.470 622 S N 1.334 116.750 115.700 -0.473 0.000 2.557 622 S HA 0.544 4.949 4.470 -0.107 0.000 0.291 622 S C 0.119 174.429 174.600 -0.484 0.000 1.116 622 S CA -0.751 56.937 58.200 -0.852 0.000 0.992 622 S CB 0.463 62.499 63.200 -1.940 0.000 1.028 622 S HN 0.552 nan 8.310 nan 0.000 0.484 623 I N 3.410 123.759 120.570 -0.369 0.000 4.018 623 I HA 0.228 4.333 4.170 -0.107 0.000 0.337 623 I C 0.272 176.242 176.117 -0.245 0.000 1.327 623 I CA 0.281 61.440 61.300 -0.235 0.000 1.100 623 I CB -0.257 37.647 38.000 -0.159 0.000 1.025 623 I HN 0.663 nan 8.210 nan 0.000 0.396 624 D N -0.065 120.134 120.400 -0.336 0.000 2.891 624 D HA 0.300 4.876 4.640 -0.107 0.000 0.312 624 D C 1.156 177.241 176.300 -0.358 0.000 1.354 624 D CA -0.429 53.393 54.000 -0.297 0.000 0.838 624 D CB 0.038 40.682 40.800 -0.259 0.000 1.117 624 D HN 0.192 nan 8.370 nan 0.000 0.473 625 G N -0.050 108.531 108.800 -0.365 0.000 2.249 625 G HA2 -0.027 3.869 3.960 -0.107 0.000 0.273 625 G HA3 -0.027 3.869 3.960 -0.107 0.000 0.273 625 G C 1.167 175.787 174.900 -0.467 0.000 1.036 625 G CA 0.395 45.273 45.100 -0.369 0.000 0.824 625 G HN 1.496 nan 8.290 nan 0.000 0.504 626 G N -1.423 106.993 108.800 -0.640 0.000 2.157 626 G HA2 -0.275 3.621 3.960 -0.107 0.000 0.248 626 G HA3 -0.275 3.621 3.960 -0.107 0.000 0.248 626 G C 0.827 175.490 174.900 -0.396 0.000 0.979 626 G CA 1.202 45.925 45.100 -0.628 0.000 0.650 626 G HN 0.768 nan 8.290 nan 0.000 0.529 627 E N -0.153 119.783 120.200 -0.440 0.000 2.112 627 E HA 0.120 4.406 4.350 -0.107 0.000 0.190 627 E C 1.371 177.880 176.600 -0.151 0.000 0.979 627 E CA 1.338 57.607 56.400 -0.218 0.000 0.814 627 E CB 0.112 29.683 29.700 -0.215 0.000 0.762 627 E HN 0.735 nan 8.360 nan 0.000 0.460 628 T N -2.224 112.125 114.554 -0.341 0.000 2.909 628 T HA 0.506 4.792 4.350 -0.107 0.000 0.299 628 T C -1.415 173.011 174.700 -0.456 0.000 1.073 628 T CA -0.933 61.047 62.100 -0.199 0.000 0.999 628 T CB 1.205 69.993 68.868 -0.133 0.000 1.098 628 T HN 0.048 nan 8.240 nan 0.000 0.477 629 W N 1.283 122.553 121.300 -0.049 0.000 2.844 629 W HA 0.627 5.223 4.660 -0.107 0.000 0.340 629 W C 0.560 177.065 176.519 -0.023 0.000 1.093 629 W CA -0.717 56.605 57.345 -0.039 0.000 1.212 629 W CB 2.023 31.491 29.460 0.013 0.000 1.422 629 W HN 1.007 nan 8.180 nan 0.000 0.515 630 S N 0.389 116.205 115.700 0.192 0.000 2.617 630 S HA 0.245 4.651 4.470 -0.107 0.000 0.259 630 S C -0.095 174.577 174.600 0.120 0.000 1.301 630 S CA -0.689 57.576 58.200 0.108 0.000 0.984 630 S CB 0.625 63.863 63.200 0.063 0.000 0.954 630 S HN 0.393 nan 8.310 nan 0.000 0.572 631 D N 0.715 121.156 120.400 0.068 0.000 2.368 631 D HA 0.193 4.769 4.640 -0.107 0.000 0.240 631 D C 0.255 176.580 176.300 0.041 0.000 1.169 631 D CA 0.048 54.078 54.000 0.050 0.000 0.906 631 D CB 0.295 41.112 40.800 0.029 0.000 1.187 631 D HN 0.443 nan 8.370 nan 0.000 0.435 632 R N 0.176 120.690 120.500 0.023 0.000 2.537 632 R HA 0.325 4.600 4.340 -0.107 0.000 0.280 632 R C -0.570 175.731 176.300 0.001 0.000 1.058 632 R CA -0.211 55.892 56.100 0.003 0.000 1.057 632 R CB 0.556 30.847 30.300 -0.014 0.000 0.973 632 R HN 0.113 nan 8.270 nan 0.000 0.438 633 V N 5.612 125.525 119.914 -0.001 0.000 2.588 633 V HA 0.276 4.331 4.120 -0.107 0.000 0.304 633 V C -2.193 173.901 176.094 -0.001 0.000 1.042 633 V CA -2.376 59.926 62.300 0.004 0.000 0.877 633 V CB 2.127 33.960 31.823 0.018 0.000 0.996 633 V HN 0.656 nan 8.190 nan 0.000 0.425 634 P HA 0.100 nan 4.420 nan 0.000 0.268 634 P C -0.644 176.650 177.300 -0.009 0.000 1.205 634 P CA -0.292 62.794 63.100 -0.024 0.000 0.771 634 P CB 0.435 32.115 31.700 -0.034 0.000 0.858 635 L N 4.115 125.319 121.223 -0.031 0.000 2.385 635 L HA 0.203 4.479 4.340 -0.107 0.000 0.285 635 L C 0.088 176.885 176.870 -0.122 0.000 1.125 635 L CA -0.300 54.518 54.840 -0.036 0.000 0.890 635 L CB -0.651 41.353 42.059 -0.092 0.000 1.251 635 L HN 0.252 nan 8.230 nan 0.000 0.445 636 Q N 3.709 123.478 119.800 -0.053 0.000 2.274 636 Q HA 0.423 4.698 4.340 -0.107 0.000 0.280 636 Q C 1.190 177.116 176.000 -0.123 0.000 1.047 636 Q CA 1.472 57.237 55.803 -0.063 0.000 0.907 636 Q CB 0.467 29.206 28.738 0.001 0.000 1.171 636 Q HN 0.955 nan 8.270 nan 0.000 0.381 637 G N 3.417 112.131 108.800 -0.143 0.000 2.217 637 G HA2 -0.236 3.660 3.960 -0.107 0.000 0.246 637 G HA3 -0.236 3.660 3.960 -0.107 0.000 0.246 637 G C 0.099 174.805 174.900 -0.323 0.000 0.990 637 G CA 0.026 45.027 45.100 -0.165 0.000 0.627 637 G HN 0.563 nan 8.290 nan 0.000 0.522 638 I N 2.898 123.177 120.570 -0.486 0.000 2.371 638 I HA 0.323 4.428 4.170 -0.107 0.000 0.282 638 I C 0.420 176.330 176.117 -0.345 0.000 1.031 638 I CA -0.575 60.339 61.300 -0.643 0.000 1.180 638 I CB 1.360 38.700 38.000 -1.099 0.000 1.336 638 I HN 0.083 nan 8.210 nan 0.000 0.467 639 S N 3.989 119.576 115.700 -0.188 0.000 2.579 639 S HA 0.415 4.821 4.470 -0.107 0.000 0.275 639 S C 0.209 174.715 174.600 -0.155 0.000 1.345 639 S CA -0.227 57.889 58.200 -0.139 0.000 1.031 639 S CB 1.700 64.854 63.200 -0.076 0.000 0.892 639 S HN 0.745 nan 8.310 nan 0.000 0.529 640 T N -0.004 114.449 114.554 -0.169 0.000 2.665 640 T HA 0.564 4.850 4.350 -0.107 0.000 0.303 640 T C -0.626 173.921 174.700 -0.256 0.000 1.334 640 T CA -0.433 61.542 62.100 -0.209 0.000 1.011 640 T CB 0.767 69.497 68.868 -0.230 0.000 1.573 640 T HN 0.783 nan 8.240 nan 0.000 0.492 641 T N -0.204 114.115 114.554 -0.391 0.000 2.862 641 T HA 0.477 4.762 4.350 -0.107 0.000 0.276 641 T C 1.644 176.034 174.700 -0.516 0.000 0.974 641 T CA 0.229 61.990 62.100 -0.565 0.000 0.966 641 T CB 0.908 69.076 68.868 -1.167 0.000 1.072 641 T HN 0.743 nan 8.240 nan 0.000 0.538 642 S N 0.391 115.813 115.700 -0.462 0.000 2.371 642 S HA -0.142 4.263 4.470 -0.107 0.000 0.224 642 S C 1.999 176.453 174.600 -0.243 0.000 1.029 642 S CA 0.964 59.019 58.200 -0.241 0.000 0.978 642 S CB -1.223 61.934 63.200 -0.073 0.000 0.833 642 S HN 0.893 nan 8.310 nan 0.000 0.466 643 Y N 1.940 122.088 120.300 -0.254 0.000 2.314 643 Y HA 0.446 4.931 4.550 -0.108 0.000 0.293 643 Y C 1.392 177.062 175.900 -0.383 0.000 1.129 643 Y CA -0.681 57.202 58.100 -0.361 0.000 1.201 643 Y CB -1.353 36.684 38.460 -0.705 0.000 0.999 643 Y HN 0.531 nan 8.280 nan 0.000 0.541 644 G N -0.053 108.357 108.800 -0.650 0.000 2.829 644 G HA2 0.036 3.932 3.960 -0.107 0.000 0.628 644 G HA3 0.036 3.932 3.960 -0.107 0.000 0.628 644 G C -0.714 174.011 174.900 -0.292 0.000 1.412 644 G CA -0.327 44.519 45.100 -0.424 0.000 0.864 644 G HN 0.529 nan 8.290 nan 0.000 0.544 645 T N 0.738 115.166 114.554 -0.209 0.000 2.916 645 T HA 0.521 4.807 4.350 -0.107 0.000 0.305 645 T C 0.017 174.560 174.700 -0.263 0.000 1.119 645 T CA -0.339 61.686 62.100 -0.124 0.000 1.008 645 T CB 1.885 70.734 68.868 -0.032 0.000 1.129 645 T HN 0.903 nan 8.240 nan 0.000 0.480 646 Q N 2.008 121.461 119.800 -0.578 0.000 2.428 646 Q HA 0.240 4.515 4.340 -0.107 0.000 0.276 646 Q C -1.022 174.772 176.000 -0.342 0.000 1.059 646 Q CA 0.145 55.562 55.803 -0.643 0.000 0.923 646 Q CB 0.288 28.203 28.738 -1.372 0.000 1.283 646 Q HN 0.613 nan 8.270 nan 0.000 0.447 647 L N -0.467 120.642 121.223 -0.191 0.000 2.327 647 L HA 0.754 5.030 4.340 -0.107 0.000 0.258 647 L C -0.733 176.135 176.870 -0.002 0.000 1.024 647 L CA -0.832 53.965 54.840 -0.072 0.000 0.825 647 L CB 1.897 43.909 42.059 -0.077 0.000 1.386 647 L HN 0.444 nan 8.230 nan 0.000 0.417 648 S N 0.383 116.115 115.700 0.053 0.000 2.561 648 S HA 0.843 5.249 4.470 -0.107 0.000 0.303 648 S C -1.465 173.198 174.600 0.105 0.000 1.110 648 S CA -0.469 57.792 58.200 0.103 0.000 1.034 648 S CB 1.568 64.855 63.200 0.145 0.000 1.010 648 S HN 1.038 nan 8.310 nan 0.000 0.482 649 V N 7.333 127.325 119.914 0.131 0.000 2.623 649 V HA 0.766 4.821 4.120 -0.107 0.000 0.304 649 V C -0.930 175.274 176.094 0.184 0.000 1.054 649 V CA -0.743 61.642 62.300 0.141 0.000 0.882 649 V CB 1.422 33.307 31.823 0.104 0.000 1.002 649 V HN 0.919 nan 8.190 nan 0.000 0.424 650 I N 2.842 123.525 120.570 0.188 0.000 2.934 650 I HA 0.679 4.784 4.170 -0.107 0.000 0.306 650 I C -0.517 175.714 176.117 0.190 0.000 1.110 650 I CA -0.998 60.419 61.300 0.194 0.000 1.019 650 I CB 2.470 40.593 38.000 0.204 0.000 1.227 650 I HN 0.508 nan 8.210 nan 0.000 0.434 651 N N 1.662 120.467 118.700 0.175 0.000 2.524 651 N HA 0.357 5.033 4.740 -0.107 0.000 0.283 651 N C -1.651 173.978 175.510 0.198 0.000 1.142 651 N CA -0.198 52.945 53.050 0.155 0.000 0.984 651 N CB 0.773 39.326 38.487 0.110 0.000 1.155 651 N HN 0.562 nan 8.380 nan 0.000 0.467 652 Y N 0.623 120.955 120.300 0.053 0.000 2.352 652 Y HA 0.216 4.701 4.550 -0.108 0.000 0.339 652 Y C 1.285 177.207 175.900 0.036 0.000 0.992 652 Y CA -0.744 57.385 58.100 0.049 0.000 1.100 652 Y CB 1.238 39.722 38.460 0.039 0.000 1.192 652 Y HN 0.689 nan 8.280 nan 0.000 0.458 653 S N 2.664 118.097 115.700 -0.446 0.000 2.423 653 S HA -0.015 4.391 4.470 -0.107 0.000 0.231 653 S C 0.254 174.748 174.600 -0.177 0.000 1.014 653 S CA 0.696 58.735 58.200 -0.269 0.000 0.965 653 S CB -0.074 62.967 63.200 -0.265 0.000 0.785 653 S HN 0.666 nan 8.310 nan 0.000 0.495 654 Q N 1.656 121.340 119.800 -0.193 0.000 2.297 654 Q HA 0.566 4.841 4.340 -0.107 0.000 0.268 654 Q C -2.792 173.323 176.000 0.191 0.000 1.045 654 Q CA -2.512 53.310 55.803 0.033 0.000 0.861 654 Q CB 1.363 30.138 28.738 0.061 0.000 1.344 654 Q HN 0.242 nan 8.270 nan 0.000 0.452 655 P HA 0.328 nan 4.420 nan 0.000 0.274 655 P C -0.559 176.808 177.300 0.112 0.000 1.231 655 P CA -0.135 63.029 63.100 0.108 0.000 0.790 655 P CB 0.939 32.677 31.700 0.062 0.000 0.951 656 I N 1.557 122.174 120.570 0.078 0.000 2.436 656 I HA 0.141 4.247 4.170 -0.107 0.000 0.289 656 I C -0.011 176.140 176.117 0.056 0.000 1.010 656 I CA -0.456 60.867 61.300 0.040 0.000 1.098 656 I CB 1.225 39.218 38.000 -0.012 0.000 1.266 656 I HN 0.337 nan 8.210 nan 0.000 0.434 657 D N 4.941 125.373 120.400 0.054 0.000 2.837 657 D HA -0.190 4.386 4.640 -0.107 0.000 0.230 657 D C 1.120 177.449 176.300 0.047 0.000 1.152 657 D CA 1.741 55.780 54.000 0.064 0.000 0.736 657 D CB -1.051 39.811 40.800 0.104 0.000 1.084 657 D HN 1.141 nan 8.370 nan 0.000 0.429 658 G N -0.944 107.882 108.800 0.042 0.000 2.162 658 G HA2 -0.373 3.523 3.960 -0.107 0.000 0.260 658 G HA3 -0.373 3.523 3.960 -0.107 0.000 0.260 658 G C 0.300 175.220 174.900 0.034 0.000 0.976 658 G CA 0.950 46.072 45.100 0.036 0.000 0.655 658 G HN 0.523 nan 8.290 nan 0.000 0.533 659 K N 0.195 120.617 120.400 0.036 0.000 2.340 659 K HA 0.550 4.806 4.320 -0.107 0.000 0.244 659 K C -2.858 173.758 176.600 0.027 0.000 0.973 659 K CA -2.369 53.934 56.287 0.027 0.000 0.828 659 K CB 2.145 34.655 32.500 0.016 0.000 1.226 659 K HN -0.096 nan 8.250 nan 0.000 0.437 660 P HA 0.041 nan 4.420 nan 0.000 0.268 660 P C -1.419 175.879 177.300 -0.003 0.000 1.205 660 P CA 0.023 63.126 63.100 0.005 0.000 0.771 660 P CB 0.811 32.487 31.700 -0.040 0.000 0.858 661 A N 3.296 126.138 122.820 0.036 0.000 2.454 661 A HA 0.843 5.099 4.320 -0.107 0.000 0.302 661 A C -0.614 176.998 177.584 0.047 0.000 1.079 661 A CA -0.742 51.306 52.037 0.017 0.000 0.731 661 A CB 0.990 20.013 19.000 0.037 0.000 1.299 661 A HN 0.580 nan 8.150 nan 0.000 0.413 662 I N -1.253 119.309 120.570 -0.014 0.000 2.785 662 I HA 0.800 4.906 4.170 -0.107 0.000 0.302 662 I C -1.226 174.952 176.117 0.102 0.000 1.069 662 I CA -1.051 60.282 61.300 0.053 0.000 1.045 662 I CB 2.073 40.092 38.000 0.032 0.000 1.236 662 I HN 0.478 nan 8.210 nan 0.000 0.429 663 I N 4.961 125.638 120.570 0.179 0.000 2.465 663 I HA 0.508 4.613 4.170 -0.107 0.000 0.291 663 I C -0.996 175.266 176.117 0.241 0.000 1.014 663 I CA -0.670 60.760 61.300 0.215 0.000 1.093 663 I CB 2.324 40.402 38.000 0.130 0.000 1.267 663 I HN 0.518 nan 8.210 nan 0.000 0.431 664 L N 4.988 126.381 121.223 0.283 0.000 2.362 664 L HA 0.679 4.955 4.340 -0.107 0.000 0.271 664 L C -0.575 176.390 176.870 0.158 0.000 1.002 664 L CA -0.092 54.826 54.840 0.130 0.000 0.818 664 L CB 2.048 44.014 42.059 -0.154 0.000 1.298 664 L HN 0.660 nan 8.230 nan 0.000 0.420 665 S N 2.908 118.680 115.700 0.119 0.000 2.521 665 S HA 0.850 5.256 4.470 -0.107 0.000 0.295 665 S C -1.095 173.590 174.600 0.141 0.000 1.098 665 S CA -0.266 58.030 58.200 0.160 0.000 0.999 665 S CB 1.577 64.904 63.200 0.212 0.000 1.034 665 S HN 0.806 nan 8.310 nan 0.000 0.483 666 S N 3.601 119.379 115.700 0.131 0.000 2.614 666 S HA 0.535 4.940 4.470 -0.107 0.000 0.280 666 S C -3.203 171.391 174.600 -0.009 0.000 1.111 666 S CA -0.902 57.358 58.200 0.100 0.000 0.847 666 S CB 1.641 64.825 63.200 -0.026 0.000 1.079 666 S HN 0.591 nan 8.310 nan 0.000 0.452 667 P HA 0.299 nan 4.420 nan 0.000 0.271 667 P C -0.333 176.931 177.300 -0.059 0.000 1.216 667 P CA -0.014 63.070 63.100 -0.028 0.000 0.776 667 P CB 0.430 32.205 31.700 0.124 0.000 0.881 668 N N 1.086 119.742 118.700 -0.074 0.000 2.236 668 N HA 0.106 4.782 4.740 -0.107 0.000 0.196 668 N C 0.333 175.816 175.510 -0.046 0.000 1.114 668 N CA -0.234 52.797 53.050 -0.031 0.000 0.859 668 N CB 0.031 38.527 38.487 0.016 0.000 0.982 668 N HN 0.436 nan 8.380 nan 0.000 0.493 669 A N -0.566 122.224 122.820 -0.050 0.000 2.386 669 A HA 0.254 4.510 4.320 -0.107 0.000 0.248 669 A C 1.260 178.796 177.584 -0.081 0.000 1.082 669 A CA 0.216 52.226 52.037 -0.045 0.000 0.789 669 A CB 0.064 19.055 19.000 -0.015 0.000 1.025 669 A HN 0.448 nan 8.150 nan 0.000 0.490 670 T N -0.845 113.666 114.554 -0.071 0.000 3.129 670 T HA 0.168 4.453 4.350 -0.107 0.000 0.251 670 T C 0.371 175.009 174.700 -0.103 0.000 1.117 670 T CA 0.233 62.272 62.100 -0.102 0.000 1.034 670 T CB -0.289 68.535 68.868 -0.073 0.000 0.968 670 T HN 0.517 nan 8.240 nan 0.000 0.526 671 N N 0.416 119.086 118.700 -0.049 0.000 2.493 671 N HA 0.489 5.165 4.740 -0.107 0.000 0.279 671 N C -0.436 175.124 175.510 0.083 0.000 1.082 671 N CA 0.494 53.559 53.050 0.026 0.000 0.963 671 N CB 2.002 40.528 38.487 0.064 0.000 1.627 671 N HN 0.559 nan 8.380 nan 0.000 0.499 672 G N 1.644 110.558 108.800 0.189 0.000 2.721 672 G HA2 -0.180 3.715 3.960 -0.107 0.000 0.686 672 G HA3 -0.180 3.715 3.960 -0.107 0.000 0.686 672 G C -0.899 174.085 174.900 0.142 0.000 1.236 672 G CA -0.908 44.315 45.100 0.205 0.000 0.786 672 G HN 0.610 nan 8.290 nan 0.000 0.616 673 R N 1.551 122.153 120.500 0.170 0.000 2.408 673 R HA 0.431 4.707 4.340 -0.107 0.000 0.308 673 R C 0.800 177.189 176.300 0.147 0.000 1.210 673 R CA 0.077 56.260 56.100 0.139 0.000 1.115 673 R CB 0.442 30.838 30.300 0.161 0.000 1.127 673 R HN 0.759 nan 8.270 nan 0.000 0.523 674 K N -0.077 120.395 120.400 0.120 0.000 2.571 674 K HA 0.215 4.471 4.320 -0.107 0.000 0.289 674 K C -0.672 175.955 176.600 0.044 0.000 1.028 674 K CA -1.023 55.339 56.287 0.125 0.000 0.895 674 K CB 1.058 33.621 32.500 0.104 0.000 1.534 674 K HN 0.349 nan 8.250 nan 0.000 0.421 675 N N -0.108 118.600 118.700 0.014 0.000 2.681 675 N HA -0.152 4.523 4.740 -0.107 0.000 0.259 675 N C -0.310 175.045 175.510 -0.258 0.000 1.066 675 N CA 0.274 53.269 53.050 -0.092 0.000 0.717 675 N CB -0.808 37.635 38.487 -0.073 0.000 0.885 675 N HN 0.805 nan 8.380 nan 0.000 0.547 676 G N 1.470 109.967 108.800 -0.506 0.000 2.441 676 G HA2 0.316 4.211 3.960 -0.107 0.000 0.243 676 G HA3 0.316 4.211 3.960 -0.107 0.000 0.243 676 G C -0.346 174.049 174.900 -0.842 0.000 1.281 676 G CA 0.091 44.378 45.100 -1.356 0.000 0.854 676 G HN 0.375 nan 8.290 nan 0.000 0.560 677 K N 0.898 120.921 120.400 -0.628 0.000 2.469 677 K HA 0.442 4.698 4.320 -0.107 0.000 0.254 677 K C -0.995 175.451 176.600 -0.258 0.000 0.939 677 K CA -0.746 55.284 56.287 -0.429 0.000 0.812 677 K CB 2.760 34.992 32.500 -0.446 0.000 1.301 677 K HN 0.348 nan 8.250 nan 0.000 0.433 678 I N 1.953 122.372 120.570 -0.253 0.000 2.362 678 I HA 0.343 4.448 4.170 -0.107 0.000 0.289 678 I C -1.093 174.955 176.117 -0.116 0.000 0.994 678 I CA -0.641 60.606 61.300 -0.088 0.000 1.158 678 I CB 0.794 38.712 38.000 -0.136 0.000 1.315 678 I HN 0.388 nan 8.210 nan 0.000 0.451 679 W N 6.708 128.016 121.300 0.013 0.000 2.570 679 W HA 0.634 5.231 4.660 -0.105 0.000 0.337 679 W C -0.395 176.273 176.519 0.249 0.000 1.067 679 W CA -0.439 56.984 57.345 0.130 0.000 1.229 679 W CB 1.106 30.614 29.460 0.079 0.000 1.355 679 W HN 0.152 nan 8.180 nan 0.000 0.555 680 I N 2.711 123.599 120.570 0.529 0.000 2.382 680 I HA 0.485 4.591 4.170 -0.107 0.000 0.286 680 I C 0.468 176.745 176.117 0.267 0.000 1.002 680 I CA -0.676 60.827 61.300 0.338 0.000 1.135 680 I CB 1.101 39.242 38.000 0.235 0.000 1.288 680 I HN 0.557 nan 8.210 nan 0.000 0.448 681 G N 6.989 115.715 108.800 -0.122 0.000 2.417 681 G HA2 0.608 4.504 3.960 -0.107 0.000 0.320 681 G HA3 0.608 4.504 3.960 -0.107 0.000 0.320 681 G C -1.029 173.610 174.900 -0.434 0.000 1.204 681 G CA -0.409 44.241 45.100 -0.751 0.000 0.923 681 G HN 0.233 nan 8.290 nan 0.000 0.466 682 L N 2.522 123.560 121.223 -0.309 0.000 2.275 682 L HA 0.335 4.610 4.340 -0.107 0.000 0.288 682 L C 0.445 177.209 176.870 -0.177 0.000 1.046 682 L CA -0.785 53.956 54.840 -0.165 0.000 0.805 682 L CB 1.671 43.684 42.059 -0.076 0.000 1.193 682 L HN 0.230 nan 8.230 nan 0.000 0.426 683 V N 4.901 124.743 119.914 -0.121 0.000 2.455 683 V HA 0.298 4.353 4.120 -0.107 0.000 0.273 683 V C 0.258 176.357 176.094 0.008 0.000 1.045 683 V CA -0.494 61.758 62.300 -0.079 0.000 0.976 683 V CB 0.493 32.239 31.823 -0.129 0.000 0.993 683 V HN 0.714 nan 8.190 nan 0.000 0.475 684 N N 2.916 121.654 118.700 0.063 0.000 2.314 684 N HA 0.268 4.944 4.740 -0.107 0.000 0.304 684 N C -1.039 174.573 175.510 0.169 0.000 1.073 684 N CA -0.623 52.478 53.050 0.086 0.000 0.822 684 N CB 2.308 40.813 38.487 0.030 0.000 1.280 684 N HN 0.621 nan 8.380 nan 0.000 0.489 685 D N 0.984 121.459 120.400 0.125 0.000 2.347 685 D HA 0.057 4.633 4.640 -0.107 0.000 0.235 685 D C 1.189 177.468 176.300 -0.036 0.000 1.149 685 D CA -0.131 53.882 54.000 0.020 0.000 0.850 685 D CB 0.967 41.772 40.800 0.008 0.000 1.061 685 D HN 0.575 nan 8.370 nan 0.000 0.487 686 T N 0.922 115.432 114.554 -0.073 0.000 3.035 686 T HA 0.118 4.404 4.350 -0.107 0.000 0.268 686 T C 1.466 176.127 174.700 -0.065 0.000 1.109 686 T CA 0.860 62.927 62.100 -0.054 0.000 1.119 686 T CB 0.044 68.882 68.868 -0.050 0.000 0.900 686 T HN 0.609 nan 8.240 nan 0.000 0.503 687 G N 0.895 109.636 108.800 -0.098 0.000 2.179 687 G HA2 -0.203 3.692 3.960 -0.107 0.000 0.220 687 G HA3 -0.203 3.692 3.960 -0.107 0.000 0.220 687 G C 0.069 174.913 174.900 -0.093 0.000 0.990 687 G CA -0.096 44.954 45.100 -0.083 0.000 0.646 687 G HN 0.598 nan 8.290 nan 0.000 0.517 688 N N 0.604 119.237 118.700 -0.111 0.000 2.448 688 N HA 0.650 5.325 4.740 -0.107 0.000 0.274 688 N C 0.366 175.794 175.510 -0.137 0.000 1.239 688 N CA 0.789 53.777 53.050 -0.103 0.000 0.982 688 N CB 1.152 39.587 38.487 -0.086 0.000 1.199 688 N HN 0.532 nan 8.380 nan 0.000 0.576 689 T N -3.497 110.991 114.554 -0.111 0.000 2.916 689 T HA 0.706 4.992 4.350 -0.107 0.000 0.292 689 T C 0.570 175.210 174.700 -0.100 0.000 1.055 689 T CA -0.029 62.001 62.100 -0.116 0.000 1.009 689 T CB 1.794 70.610 68.868 -0.088 0.000 1.118 689 T HN 0.771 nan 8.240 nan 0.000 0.497 690 G N 1.112 109.853 108.800 -0.098 0.000 2.512 690 G HA2 -0.215 3.680 3.960 -0.107 0.000 0.240 690 G HA3 -0.215 3.680 3.960 -0.107 0.000 0.240 690 G C 0.687 175.543 174.900 -0.073 0.000 1.246 690 G CA -0.072 44.980 45.100 -0.081 0.000 0.919 690 G HN 0.978 nan 8.290 nan 0.000 0.577 691 I N 1.368 121.904 120.570 -0.057 0.000 2.423 691 I HA -0.078 4.028 4.170 -0.107 0.000 0.254 691 I C 1.657 177.763 176.117 -0.018 0.000 1.151 691 I CA 1.841 63.121 61.300 -0.034 0.000 1.421 691 I CB -0.232 37.751 38.000 -0.028 0.000 1.079 691 I HN 0.401 nan 8.210 nan 0.000 0.431 692 D N 0.447 120.823 120.400 -0.040 0.000 2.342 692 D HA -0.040 4.535 4.640 -0.107 0.000 0.221 692 D C 1.786 178.035 176.300 -0.086 0.000 1.101 692 D CA 0.104 54.080 54.000 -0.039 0.000 0.837 692 D CB 0.299 41.077 40.800 -0.037 0.000 0.938 692 D HN 0.352 nan 8.370 nan 0.000 0.508 693 K N 0.238 120.545 120.400 -0.154 0.000 2.057 693 K HA -0.142 4.114 4.320 -0.107 0.000 0.207 693 K C -0.058 176.272 176.600 -0.450 0.000 1.049 693 K CA 1.075 57.147 56.287 -0.359 0.000 0.931 693 K CB 0.230 32.407 32.500 -0.538 0.000 0.714 693 K HN 0.001 nan 8.250 nan 0.000 0.440 694 Y N -0.694 119.599 120.300 -0.012 0.000 2.446 694 Y HA 0.394 4.879 4.550 -0.107 0.000 0.338 694 Y C -0.278 175.621 175.900 -0.001 0.000 1.055 694 Y CA -0.996 57.099 58.100 -0.008 0.000 1.101 694 Y CB 2.183 40.641 38.460 -0.003 0.000 1.221 694 Y HN -0.188 nan 8.280 nan 0.000 0.460 695 S N 1.191 116.990 115.700 0.166 0.000 2.557 695 S HA 0.708 5.114 4.470 -0.107 0.000 0.291 695 S C -1.687 172.930 174.600 0.029 0.000 1.116 695 S CA -0.623 57.628 58.200 0.086 0.000 0.992 695 S CB 0.796 64.024 63.200 0.046 0.000 1.028 695 S HN 0.397 nan 8.310 nan 0.000 0.484 696 V N 4.717 124.619 119.914 -0.021 0.000 2.370 696 V HA 0.450 4.506 4.120 -0.107 0.000 0.279 696 V C 0.273 176.164 176.094 -0.339 0.000 1.029 696 V CA -0.633 61.525 62.300 -0.238 0.000 0.870 696 V CB 1.343 32.949 31.823 -0.361 0.000 0.984 696 V HN 0.897 nan 8.190 nan 0.000 0.451 697 E N 4.591 124.588 120.200 -0.339 0.000 2.046 697 E HA 0.173 4.459 4.350 -0.107 0.000 0.279 697 E C -1.137 175.279 176.600 -0.307 0.000 0.989 697 E CA -0.660 55.605 56.400 -0.226 0.000 0.798 697 E CB 0.567 30.195 29.700 -0.120 0.000 1.086 697 E HN 0.698 nan 8.360 nan 0.000 0.399 698 W N 5.788 127.089 121.300 0.002 0.000 1.828 698 W HA 0.166 4.761 4.660 -0.108 0.000 0.470 698 W C 1.433 178.003 176.519 0.085 0.000 0.786 698 W CA -0.377 57.001 57.345 0.055 0.000 1.816 698 W CB 0.329 29.770 29.460 -0.032 0.000 1.798 698 W HN 0.585 nan 8.180 nan 0.000 0.252 699 K N 1.063 121.509 120.400 0.076 0.000 2.155 699 K HA -0.088 4.168 4.320 -0.107 0.000 0.203 699 K C -0.304 176.075 176.600 -0.369 0.000 1.052 699 K CA 1.022 57.176 56.287 -0.221 0.000 0.948 699 K CB 0.127 32.334 32.500 -0.489 0.000 0.728 699 K HN 0.224 nan 8.250 nan 0.000 0.448 700 Y N -0.480 119.928 120.300 0.180 0.000 2.499 700 Y HA 0.297 4.783 4.550 -0.107 0.000 0.347 700 Y C -0.416 175.468 175.900 -0.025 0.000 0.987 700 Y CA -1.147 56.989 58.100 0.061 0.000 1.044 700 Y CB 2.239 40.704 38.460 0.009 0.000 1.245 700 Y HN -0.100 nan 8.280 nan 0.000 0.461 701 S N 1.150 116.753 115.700 -0.161 0.000 2.547 701 S HA 0.626 5.032 4.470 -0.107 0.000 0.281 701 S C -1.936 172.415 174.600 -0.416 0.000 1.118 701 S CA -0.813 56.925 58.200 -0.771 0.000 0.947 701 S CB 1.576 63.830 63.200 -1.577 0.000 1.053 701 S HN 0.627 nan 8.310 nan 0.000 0.482 702 Y N 2.258 122.212 120.300 -0.578 0.000 2.326 702 Y HA 0.631 5.116 4.550 -0.109 0.000 0.329 702 Y C -0.320 175.311 175.900 -0.448 0.000 0.973 702 Y CA -0.663 57.178 58.100 -0.431 0.000 1.162 702 Y CB 1.322 39.539 38.460 -0.405 0.000 1.147 702 Y HN 1.110 nan 8.280 nan 0.000 0.456 703 A N 5.456 127.807 122.820 -0.782 0.000 2.354 703 A HA 0.383 4.639 4.320 -0.107 0.000 0.281 703 A C 0.462 177.641 177.584 -0.674 0.000 1.174 703 A CA -0.295 51.379 52.037 -0.605 0.000 0.828 703 A CB 0.589 19.326 19.000 -0.440 0.000 1.099 703 A HN 0.852 nan 8.150 nan 0.000 0.516 704 V N 2.112 121.788 119.914 -0.396 0.000 2.548 704 V HA -0.017 4.039 4.120 -0.107 0.000 0.249 704 V C 0.994 177.067 176.094 -0.035 0.000 1.055 704 V CA 2.379 64.582 62.300 -0.162 0.000 1.065 704 V CB -0.415 31.358 31.823 -0.084 0.000 0.681 704 V HN 1.006 nan 8.190 nan 0.000 0.462 705 D N -2.128 118.227 120.400 -0.075 0.000 3.309 705 D HA 0.222 4.797 4.640 -0.107 0.000 0.335 705 D C -0.407 175.858 176.300 -0.058 0.000 1.393 705 D CA 0.388 54.384 54.000 -0.007 0.000 0.963 705 D CB 1.319 42.179 40.800 0.099 0.000 1.431 705 D HN 0.195 nan 8.370 nan 0.000 0.583 706 T N -1.146 113.398 114.554 -0.018 0.000 2.882 706 T HA 0.421 4.706 4.350 -0.107 0.000 0.287 706 T C -1.856 172.832 174.700 -0.020 0.000 1.014 706 T CA -1.053 61.028 62.100 -0.031 0.000 1.049 706 T CB 1.318 70.179 68.868 -0.011 0.000 1.001 706 T HN 0.071 nan 8.240 nan 0.000 0.525 707 P HA -0.146 nan 4.420 nan 0.000 0.217 707 P C 1.415 178.722 177.300 0.011 0.000 1.148 707 P CA 1.120 64.207 63.100 -0.023 0.000 0.834 707 P CB 0.046 31.730 31.700 -0.027 0.000 0.783 708 Q N -2.195 117.625 119.800 0.033 0.000 2.360 708 Q HA 0.143 4.418 4.340 -0.107 0.000 0.202 708 Q C 0.584 176.638 176.000 0.090 0.000 0.915 708 Q CA 0.383 56.222 55.803 0.059 0.000 0.943 708 Q CB -0.169 28.605 28.738 0.060 0.000 1.064 708 Q HN 0.348 nan 8.270 nan 0.000 0.511 709 M N 1.009 120.667 119.600 0.096 0.000 2.219 709 M HA 0.193 4.608 4.480 -0.107 0.000 0.353 709 M C 0.786 177.200 176.300 0.191 0.000 1.304 709 M CA -0.084 55.303 55.300 0.144 0.000 1.115 709 M CB 0.312 33.002 32.600 0.150 0.000 1.664 709 M HN 0.002 nan 8.290 nan 0.000 0.459 710 G N 3.007 111.938 108.800 0.217 0.000 2.414 710 G HA2 0.158 4.054 3.960 -0.107 0.000 0.236 710 G HA3 0.158 4.054 3.960 -0.107 0.000 0.236 710 G C -1.386 173.734 174.900 0.366 0.000 1.293 710 G CA 0.076 45.323 45.100 0.245 0.000 0.869 710 G HN 0.730 nan 8.290 nan 0.000 0.556 711 Y N 1.504 121.905 120.300 0.168 0.000 2.299 711 Y HA 0.409 4.893 4.550 -0.109 0.000 0.318 711 Y C 0.187 176.189 175.900 0.171 0.000 1.205 711 Y CA -0.733 57.508 58.100 0.236 0.000 1.106 711 Y CB 1.117 39.682 38.460 0.175 0.000 1.246 711 Y HN 0.621 nan 8.280 nan 0.000 0.415 712 S N 2.699 118.514 115.700 0.191 0.000 4.150 712 S HA 0.373 4.778 4.470 -0.107 0.000 0.193 712 S C -1.046 173.743 174.600 0.314 0.000 1.010 712 S CA -0.376 57.966 58.200 0.236 0.000 1.650 712 S CB 0.003 63.252 63.200 0.082 0.000 0.823 712 S HN 0.400 nan 8.310 nan 0.000 0.794 713 Y N 2.982 123.319 120.300 0.061 0.000 2.480 713 Y HA 0.441 4.926 4.550 -0.108 0.000 0.338 713 Y C 1.039 176.993 175.900 0.090 0.000 1.220 713 Y CA -0.639 57.516 58.100 0.091 0.000 1.430 713 Y CB 0.183 38.702 38.460 0.098 0.000 1.311 713 Y HN 0.551 nan 8.280 nan 0.000 0.575 714 S N 0.432 116.267 115.700 0.225 0.000 2.625 714 S HA 0.705 5.110 4.470 -0.107 0.000 0.271 714 S C -1.542 173.184 174.600 0.210 0.000 1.161 714 S CA -0.968 57.362 58.200 0.217 0.000 0.820 714 S CB 1.799 65.119 63.200 0.200 0.000 1.137 714 S HN 0.794 nan 8.310 nan 0.000 0.470 715 C N 1.991 121.433 119.300 0.235 0.000 2.716 715 C HA 0.663 5.059 4.460 -0.107 0.000 0.366 715 C C -1.507 173.633 174.990 0.251 0.000 1.073 715 C CA -0.405 58.750 59.018 0.228 0.000 1.260 715 C CB 0.179 28.056 27.740 0.227 0.000 1.755 715 C HN 0.885 nan 8.230 nan 0.000 0.475 716 L N 4.209 125.571 121.223 0.232 0.000 2.399 716 L HA 0.907 5.182 4.340 -0.107 0.000 0.265 716 L C 0.513 177.533 176.870 0.250 0.000 1.089 716 L CA 0.252 55.235 54.840 0.238 0.000 0.802 716 L CB 1.451 43.633 42.059 0.207 0.000 1.180 716 L HN 0.917 nan 8.230 nan 0.000 0.454 717 A N 1.641 124.620 122.820 0.265 0.000 2.540 717 A HA 0.464 4.719 4.320 -0.107 0.000 0.297 717 A C -0.830 176.907 177.584 0.255 0.000 1.056 717 A CA -0.633 51.560 52.037 0.260 0.000 0.700 717 A CB 1.022 20.193 19.000 0.284 0.000 1.280 717 A HN 0.656 nan 8.150 nan 0.000 0.398 718 E N 2.969 123.304 120.200 0.225 0.000 2.180 718 E HA 0.458 4.743 4.350 -0.107 0.000 0.283 718 E C -0.695 176.004 176.600 0.165 0.000 1.061 718 E CA -0.334 56.195 56.400 0.214 0.000 0.861 718 E CB 0.375 30.148 29.700 0.123 0.000 1.056 718 E HN 0.597 nan 8.360 nan 0.000 0.407 719 L N 5.747 127.076 121.223 0.177 0.000 2.466 719 L HA 0.190 4.465 4.340 -0.107 0.000 0.257 719 L C -1.509 175.413 176.870 0.086 0.000 1.189 719 L CA -1.827 53.101 54.840 0.145 0.000 0.813 719 L CB 0.262 42.422 42.059 0.169 0.000 1.118 719 L HN 0.523 nan 8.230 nan 0.000 0.471 720 P HA -0.170 nan 4.420 nan 0.000 0.217 720 P C -0.314 177.001 177.300 0.026 0.000 1.148 720 P CA 1.142 64.259 63.100 0.028 0.000 0.828 720 P CB -0.058 31.651 31.700 0.014 0.000 0.783 721 D N -1.842 118.583 120.400 0.041 0.000 2.425 721 D HA 0.103 4.679 4.640 -0.107 0.000 0.274 721 D C 1.753 178.091 176.300 0.063 0.000 1.242 721 D CA -0.164 53.860 54.000 0.041 0.000 1.060 721 D CB -0.881 39.943 40.800 0.039 0.000 1.112 721 D HN -0.052 nan 8.370 nan 0.000 0.561 722 G N -1.866 106.980 108.800 0.077 0.000 2.598 722 G HA2 -0.108 3.788 3.960 -0.107 0.000 0.215 722 G HA3 -0.108 3.788 3.960 -0.107 0.000 0.215 722 G C 0.590 175.612 174.900 0.203 0.000 1.131 722 G CA 0.063 45.248 45.100 0.141 0.000 0.785 722 G HN 0.415 nan 8.290 nan 0.000 0.539 723 Q N -0.422 119.459 119.800 0.135 0.000 2.474 723 Q HA 0.315 4.591 4.340 -0.107 0.000 0.256 723 Q C -0.695 175.415 176.000 0.184 0.000 1.048 723 Q CA 0.000 55.879 55.803 0.126 0.000 0.922 723 Q CB 1.641 30.423 28.738 0.073 0.000 1.288 723 Q HN 0.027 nan 8.270 nan 0.000 0.484 724 V N 1.440 121.444 119.914 0.150 0.000 2.334 724 V HA 0.394 4.450 4.120 -0.107 0.000 0.281 724 V C 0.380 176.574 176.094 0.167 0.000 1.016 724 V CA -0.598 61.812 62.300 0.182 0.000 0.832 724 V CB 1.201 33.099 31.823 0.126 0.000 0.999 724 V HN 0.849 nan 8.190 nan 0.000 0.439 725 G N 4.237 113.167 108.800 0.216 0.000 2.476 725 G HA2 0.607 4.502 3.960 -0.107 0.000 0.269 725 G HA3 0.607 4.502 3.960 -0.107 0.000 0.269 725 G C -0.948 174.092 174.900 0.233 0.000 1.195 725 G CA -0.403 44.818 45.100 0.203 0.000 0.843 725 G HN 0.600 nan 8.290 nan 0.000 0.545 726 L N 1.917 123.226 121.223 0.144 0.000 2.482 726 L HA 0.457 4.733 4.340 -0.107 0.000 0.269 726 L C -1.650 175.451 176.870 0.384 0.000 0.967 726 L CA -0.864 54.137 54.840 0.269 0.000 0.851 726 L CB 1.900 44.117 42.059 0.264 0.000 1.242 726 L HN 0.458 nan 8.230 nan 0.000 0.404 727 L N 6.905 128.388 121.223 0.434 0.000 2.298 727 L HA 0.583 4.858 4.340 -0.107 0.000 0.284 727 L C -1.088 175.999 176.870 0.363 0.000 1.013 727 L CA -0.130 54.950 54.840 0.401 0.000 0.824 727 L CB 1.145 43.379 42.059 0.292 0.000 1.221 727 L HN 0.500 nan 8.230 nan 0.000 0.418 728 Y N 1.330 121.683 120.300 0.088 0.000 2.655 728 Y HA 0.641 5.125 4.550 -0.110 0.000 0.336 728 Y C -1.015 174.886 175.900 0.002 0.000 1.154 728 Y CA -1.469 56.617 58.100 -0.023 0.000 1.055 728 Y CB 0.962 39.257 38.460 -0.274 0.000 1.295 728 Y HN 0.548 nan 8.280 nan 0.000 0.465 729 E N 1.832 122.017 120.200 -0.026 0.000 2.052 729 E HA 0.169 4.455 4.350 -0.107 0.000 0.283 729 E C -0.807 175.813 176.600 0.032 0.000 1.071 729 E CA -0.490 55.937 56.400 0.045 0.000 0.851 729 E CB 0.854 30.673 29.700 0.199 0.000 1.066 729 E HN 0.462 nan 8.360 nan 0.000 0.396 730 K N 4.884 125.237 120.400 -0.079 0.000 2.751 730 K HA 0.072 4.327 4.320 -0.107 0.000 0.252 730 K C -1.363 175.431 176.600 0.324 0.000 1.277 730 K CA -0.083 56.273 56.287 0.115 0.000 1.226 730 K CB -0.135 32.358 32.500 -0.012 0.000 1.658 730 K HN 0.442 nan 8.250 nan 0.000 0.303 731 Y N -2.554 117.812 120.300 0.111 0.000 2.814 731 Y HA 0.259 4.744 4.550 -0.108 0.000 0.348 731 Y C -1.865 174.122 175.900 0.144 0.000 1.245 731 Y CA -1.883 56.285 58.100 0.114 0.000 1.086 731 Y CB 0.602 39.102 38.460 0.067 0.000 1.373 731 Y HN -0.038 nan 8.280 nan 0.000 0.451 732 D N 1.480 121.817 120.400 -0.106 0.000 2.441 732 D HA 0.194 4.769 4.640 -0.107 0.000 0.221 732 D C 0.678 176.706 176.300 -0.453 0.000 1.156 732 D CA 0.504 54.404 54.000 -0.167 0.000 0.896 732 D CB 0.966 41.802 40.800 0.060 0.000 1.028 732 D HN 0.716 nan 8.370 nan 0.000 0.509 733 S N 2.969 118.223 115.700 -0.743 0.000 2.603 733 S HA -0.068 4.337 4.470 -0.107 0.000 0.229 733 S C 1.475 176.035 174.600 -0.066 0.000 0.972 733 S CA -0.356 57.489 58.200 -0.591 0.000 0.935 733 S CB -0.282 62.608 63.200 -0.516 0.000 0.769 733 S HN 0.698 nan 8.310 nan 0.000 0.536 734 W N 1.775 122.977 121.300 -0.163 0.000 2.699 734 W HA 0.356 4.951 4.660 -0.108 0.000 0.265 734 W C 0.604 177.051 176.519 -0.120 0.000 1.210 734 W CA 0.079 57.353 57.345 -0.119 0.000 1.414 734 W CB -0.152 29.257 29.460 -0.085 0.000 1.043 734 W HN 0.352 nan 8.180 nan 0.000 0.599 735 S N 2.156 117.902 115.700 0.077 0.000 2.546 735 S HA -0.006 4.400 4.470 -0.107 0.000 0.290 735 S C 1.197 175.749 174.600 -0.078 0.000 1.290 735 S CA -0.005 58.202 58.200 0.010 0.000 1.069 735 S CB 0.708 63.950 63.200 0.072 0.000 0.846 735 S HN 0.164 nan 8.310 nan 0.000 0.495 736 R N 3.722 124.161 120.500 -0.101 0.000 2.307 736 R HA 0.054 4.330 4.340 -0.107 0.000 0.199 736 R C 0.790 177.054 176.300 -0.060 0.000 1.000 736 R CA 0.696 56.731 56.100 -0.108 0.000 1.023 736 R CB -0.569 29.669 30.300 -0.103 0.000 0.908 736 R HN 0.727 nan 8.270 nan 0.000 0.473 737 N N 0.319 119.006 118.700 -0.021 0.000 2.299 737 N HA 0.006 4.681 4.740 -0.107 0.000 0.187 737 N C 0.139 175.659 175.510 0.017 0.000 1.099 737 N CA 0.109 53.162 53.050 0.005 0.000 0.867 737 N CB 0.491 38.998 38.487 0.033 0.000 0.974 737 N HN 0.180 nan 8.380 nan 0.000 0.477 738 E N 0.842 121.056 120.200 0.024 0.000 2.789 738 E HA 0.168 4.454 4.350 -0.107 0.000 0.208 738 E C -0.429 176.193 176.600 0.036 0.000 0.988 738 E CA -0.123 56.330 56.400 0.089 0.000 1.092 738 E CB 0.777 30.619 29.700 0.237 0.000 1.066 738 E HN 0.268 nan 8.360 nan 0.000 0.465 739 L N 0.547 121.662 121.223 -0.180 0.000 2.453 739 L HA 0.199 4.475 4.340 -0.107 0.000 0.261 739 L C 0.276 176.803 176.870 -0.572 0.000 1.179 739 L CA -0.108 54.414 54.840 -0.529 0.000 0.813 739 L CB -0.244 41.225 42.059 -0.982 0.000 1.110 739 L HN 0.388 nan 8.230 nan 0.000 0.466 740 H N 0.205 119.090 119.070 -0.308 0.000 2.677 740 H HA -0.146 4.345 4.556 -0.108 0.000 0.321 740 H C -1.006 174.278 175.328 -0.073 0.000 1.171 740 H CA -0.266 55.520 56.048 -0.436 0.000 1.139 740 H CB -1.809 27.736 29.762 -0.362 0.000 1.515 740 H HN 0.282 nan 8.280 nan 0.000 0.423 741 L N 0.913 122.120 121.223 -0.028 0.000 2.309 741 L HA 0.387 4.662 4.340 -0.107 0.000 0.282 741 L C 0.630 177.554 176.870 0.090 0.000 1.036 741 L CA -0.713 54.128 54.840 0.001 0.000 0.806 741 L CB 1.570 43.507 42.059 -0.204 0.000 1.220 741 L HN 0.197 nan 8.230 nan 0.000 0.429 742 K N 1.629 122.074 120.400 0.076 0.000 2.118 742 K HA 0.222 4.477 4.320 -0.107 0.000 0.264 742 K C -0.696 175.902 176.600 -0.004 0.000 1.000 742 K CA -0.728 55.553 56.287 -0.009 0.000 0.929 742 K CB 0.624 33.077 32.500 -0.079 0.000 1.021 742 K HN 0.501 nan 8.250 nan 0.000 0.463 743 D N 1.612 122.037 120.400 0.042 0.000 2.697 743 D HA -0.146 4.430 4.640 -0.107 0.000 0.238 743 D C 0.254 176.555 176.300 0.002 0.000 1.152 743 D CA 0.759 54.794 54.000 0.057 0.000 0.666 743 D CB -1.084 39.748 40.800 0.054 0.000 1.037 743 D HN 0.511 nan 8.370 nan 0.000 0.423 744 I N -3.486 117.066 120.570 -0.031 0.000 4.018 744 I HA 0.196 4.301 4.170 -0.107 0.000 0.337 744 I C 0.519 176.594 176.117 -0.068 0.000 1.327 744 I CA -0.224 61.034 61.300 -0.071 0.000 1.100 744 I CB 0.174 38.047 38.000 -0.212 0.000 1.025 744 I HN 0.053 nan 8.210 nan 0.000 0.396 745 L N 3.453 124.659 121.223 -0.029 0.000 2.282 745 L HA 0.509 4.784 4.340 -0.107 0.000 0.287 745 L C -0.367 176.439 176.870 -0.107 0.000 1.075 745 L CA 0.167 54.975 54.840 -0.053 0.000 0.839 745 L CB -0.174 41.915 42.059 0.050 0.000 1.219 745 L HN 0.043 nan 8.230 nan 0.000 0.434 746 K N 4.678 124.926 120.400 -0.253 0.000 2.208 746 K HA 0.428 4.683 4.320 -0.107 0.000 0.247 746 K C -1.100 175.546 176.600 0.076 0.000 0.953 746 K CA -0.543 55.663 56.287 -0.136 0.000 0.837 746 K CB 2.063 34.442 32.500 -0.201 0.000 1.131 746 K HN 0.346 nan 8.250 nan 0.000 0.431 747 F N 1.491 121.453 119.950 0.020 0.000 2.449 747 F HA 0.335 4.796 4.527 -0.109 0.000 0.342 747 F C -0.492 175.424 175.800 0.193 0.000 1.127 747 F CA -0.482 57.581 58.000 0.104 0.000 0.975 747 F CB 1.161 40.152 39.000 -0.014 0.000 1.146 747 F HN 0.494 nan 8.300 nan 0.000 0.444 748 E N 4.699 124.657 120.200 -0.404 0.000 2.336 748 E HA 0.492 4.778 4.350 -0.107 0.000 0.267 748 E C -1.338 174.869 176.600 -0.655 0.000 0.906 748 E CA -1.257 54.920 56.400 -0.373 0.000 0.781 748 E CB 2.559 32.292 29.700 0.056 0.000 1.261 748 E HN 0.484 nan 8.360 nan 0.000 0.436 749 K N 1.515 121.527 120.400 -0.646 0.000 2.371 749 K HA 0.531 4.786 4.320 -0.107 0.000 0.251 749 K C -1.515 174.691 176.600 -0.657 0.000 0.934 749 K CA -0.756 55.250 56.287 -0.468 0.000 0.798 749 K CB 1.610 33.957 32.500 -0.255 0.000 1.204 749 K HN 0.383 nan 8.250 nan 0.000 0.427 750 Y N -0.155 120.067 120.300 -0.130 0.000 2.492 750 Y HA 0.218 4.704 4.550 -0.107 0.000 0.346 750 Y C 0.301 176.101 175.900 -0.166 0.000 0.997 750 Y CA -0.924 57.056 58.100 -0.199 0.000 1.025 750 Y CB 2.250 40.507 38.460 -0.340 0.000 1.263 750 Y HN 0.650 nan 8.280 nan 0.000 0.454 751 S N 1.799 117.485 115.700 -0.024 0.000 2.652 751 S HA 0.358 4.764 4.470 -0.107 0.000 0.270 751 S C 0.793 175.319 174.600 -0.123 0.000 1.243 751 S CA -0.706 57.464 58.200 -0.049 0.000 0.999 751 S CB 0.770 63.943 63.200 -0.046 0.000 0.973 751 S HN 0.585 nan 8.310 nan 0.000 0.544 752 I N 1.474 121.963 120.570 -0.135 0.000 2.394 752 I HA -0.097 4.008 4.170 -0.107 0.000 0.251 752 I C 2.686 178.668 176.117 -0.225 0.000 1.136 752 I CA 1.190 62.352 61.300 -0.230 0.000 1.425 752 I CB -1.832 36.026 38.000 -0.237 0.000 1.079 752 I HN 0.873 nan 8.210 nan 0.000 0.425 753 S N 0.678 116.288 115.700 -0.151 0.000 2.359 753 S HA -0.210 4.195 4.470 -0.107 0.000 0.224 753 S C 1.900 176.413 174.600 -0.144 0.000 1.035 753 S CA 1.572 59.694 58.200 -0.130 0.000 1.018 753 S CB -0.020 63.135 63.200 -0.076 0.000 0.876 753 S HN 0.484 nan 8.310 nan 0.000 0.448 754 E N 0.221 120.334 120.200 -0.145 0.000 2.031 754 E HA -0.119 4.166 4.350 -0.107 0.000 0.193 754 E C 2.079 178.509 176.600 -0.283 0.000 0.994 754 E CA 1.152 57.462 56.400 -0.150 0.000 0.800 754 E CB -0.253 29.361 29.700 -0.143 0.000 0.752 754 E HN 0.304 nan 8.360 nan 0.000 0.447 755 L N 0.915 121.865 121.223 -0.454 0.000 2.127 755 L HA -0.132 4.143 4.340 -0.107 0.000 0.211 755 L C 2.384 179.066 176.870 -0.314 0.000 1.089 755 L CA 1.931 56.459 54.840 -0.521 0.000 0.757 755 L CB -1.116 40.667 42.059 -0.459 0.000 0.899 755 L HN 0.246 nan 8.230 nan 0.000 0.434 756 T N -3.923 110.396 114.554 -0.391 0.000 3.278 756 T HA 0.352 4.638 4.350 -0.107 0.000 0.251 756 T C 1.392 175.948 174.700 -0.240 0.000 1.039 756 T CA 0.255 61.978 62.100 -0.627 0.000 0.935 756 T CB -0.368 67.940 68.868 -0.934 0.000 1.034 756 T HN 0.430 nan 8.240 nan 0.000 0.575 757 G N 1.672 110.430 108.800 -0.070 0.000 2.180 757 G HA2 -0.344 3.551 3.960 -0.107 0.000 0.263 757 G HA3 -0.344 3.551 3.960 -0.107 0.000 0.263 757 G C 0.454 175.348 174.900 -0.009 0.000 0.989 757 G CA 0.499 45.608 45.100 0.014 0.000 0.692 757 G HN 0.629 nan 8.290 nan 0.000 0.526 758 Q N -0.140 119.626 119.800 -0.057 0.000 2.239 758 Q HA 0.492 4.768 4.340 -0.107 0.000 0.219 758 Q C 1.167 177.149 176.000 -0.031 0.000 0.901 758 Q CA 1.000 56.777 55.803 -0.044 0.000 0.949 758 Q CB -0.576 28.117 28.738 -0.075 0.000 1.038 758 Q HN 1.942 nan 8.270 nan 0.000 0.458 759 A N 0.000 122.812 122.820 -0.014 0.000 2.254 759 A HA 0.000 4.256 4.320 -0.107 0.000 0.244 759 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 759 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 759 A HN 0.000 nan 8.150 nan 0.000 0.486