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 2sli_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 0.000 175.987 176.117 -0.217 0.000 1.063 81 I CA 0.000 61.222 61.300 -0.131 0.000 1.566 81 I CB 0.000 38.014 38.000 0.023 0.000 1.214 82 P HA 0.245 nan 4.420 nan 0.000 0.272 82 P C -0.814 176.399 177.300 -0.145 0.000 1.240 82 P CA -0.196 62.751 63.100 -0.254 0.000 0.791 82 P CB 0.895 32.401 31.700 -0.325 0.000 0.978 83 E N 0.060 120.210 120.200 -0.083 0.000 2.283 83 E HA 0.462 4.752 4.350 -0.100 0.000 0.278 83 E C 0.842 177.435 176.600 -0.011 0.000 1.027 83 E CA 0.292 56.672 56.400 -0.034 0.000 0.843 83 E CB 0.986 30.673 29.700 -0.023 0.000 1.062 83 E HN 0.843 nan 8.360 nan 0.000 0.401 84 G N 2.561 111.387 108.800 0.043 0.000 2.445 84 G HA2 -0.226 3.674 3.960 -0.100 0.000 0.212 84 G HA3 -0.226 3.674 3.960 -0.100 0.000 0.212 84 G C -0.291 174.627 174.900 0.030 0.000 1.217 84 G CA -0.673 44.488 45.100 0.102 0.000 1.002 84 G HN 0.483 nan 8.290 nan 0.000 0.574 85 I N 2.354 122.863 120.570 -0.101 0.000 2.578 85 I HA 0.138 4.248 4.170 -0.100 0.000 0.286 85 I C 1.716 177.750 176.117 -0.139 0.000 1.126 85 I CA 0.003 61.124 61.300 -0.297 0.000 1.380 85 I CB 0.364 38.164 38.000 -0.334 0.000 1.408 85 I HN 0.418 nan 8.210 nan 0.000 0.532 86 L N 6.258 127.422 121.223 -0.099 0.000 2.307 86 L HA 0.237 4.517 4.340 -0.100 0.000 0.211 86 L C 0.644 177.546 176.870 0.053 0.000 1.099 86 L CA 0.708 55.562 54.840 0.023 0.000 0.816 86 L CB 0.035 42.155 42.059 0.101 0.000 0.952 86 L HN 0.639 nan 8.230 nan 0.000 0.455 87 M N -0.459 119.128 119.600 -0.023 0.000 2.426 87 M HA 0.307 4.727 4.480 -0.100 0.000 0.289 87 M C -2.022 174.243 176.300 -0.057 0.000 1.168 87 M CA -0.382 54.922 55.300 0.007 0.000 0.933 87 M CB 2.859 35.505 32.600 0.076 0.000 1.750 87 M HN -0.109 nan 8.290 nan 0.000 0.494 88 E N 3.210 123.394 120.200 -0.027 0.000 2.335 88 E HA 0.594 4.884 4.350 -0.100 0.000 0.280 88 E C -2.106 174.495 176.600 0.001 0.000 0.918 88 E CA -0.656 55.719 56.400 -0.042 0.000 0.765 88 E CB 2.368 32.027 29.700 -0.068 0.000 1.218 88 E HN 0.533 nan 8.360 nan 0.000 0.425 89 K N 1.989 122.389 120.400 0.000 0.000 2.502 89 K HA 0.504 4.764 4.320 -0.100 0.000 0.257 89 K C -1.625 174.971 176.600 -0.006 0.000 0.938 89 K CA -0.652 55.642 56.287 0.010 0.000 0.819 89 K CB 1.662 34.178 32.500 0.026 0.000 1.333 89 K HN 0.494 nan 8.250 nan 0.000 0.434 90 N N 2.300 120.994 118.700 -0.009 0.000 2.262 90 N HA 0.332 5.013 4.740 -0.100 0.000 0.295 90 N C -1.291 174.214 175.510 -0.009 0.000 1.161 90 N CA -0.643 52.402 53.050 -0.009 0.000 0.767 90 N CB 1.530 40.011 38.487 -0.010 0.000 1.499 90 N HN 0.639 nan 8.380 nan 0.000 0.476 91 N N 0.152 118.859 118.700 0.012 0.000 2.650 91 N HA -0.151 4.529 4.740 -0.100 0.000 0.272 91 N C -1.047 174.468 175.510 0.008 0.000 1.058 91 N CA 0.523 53.595 53.050 0.037 0.000 0.765 91 N CB -0.895 37.611 38.487 0.031 0.000 0.902 91 N HN 0.216 nan 8.380 nan 0.000 0.551 92 V N 0.949 120.854 119.914 -0.015 0.000 2.328 92 V HA 0.201 4.262 4.120 -0.100 0.000 0.278 92 V C 0.310 176.403 176.094 -0.001 0.000 1.021 92 V CA -0.744 61.479 62.300 -0.129 0.000 0.838 92 V CB 1.871 33.480 31.823 -0.356 0.000 0.999 92 V HN 0.147 nan 8.190 nan 0.000 0.447 93 D N 5.088 125.505 120.400 0.028 0.000 2.277 93 D HA 0.482 5.062 4.640 -0.100 0.000 0.249 93 D C -0.244 176.128 176.300 0.119 0.000 1.134 93 D CA 0.139 54.196 54.000 0.094 0.000 0.863 93 D CB 1.906 42.754 40.800 0.081 0.000 1.143 93 D HN 0.371 nan 8.370 nan 0.000 0.458 94 I N 1.852 122.527 120.570 0.175 0.000 2.382 94 I HA 0.332 4.442 4.170 -0.100 0.000 0.286 94 I C 0.302 176.486 176.117 0.113 0.000 1.002 94 I CA -0.960 60.466 61.300 0.209 0.000 1.135 94 I CB 1.664 39.889 38.000 0.374 0.000 1.288 94 I HN 0.267 nan 8.210 nan 0.000 0.448 95 A N 5.597 128.475 122.820 0.096 0.000 2.450 95 A HA 0.143 4.403 4.320 -0.100 0.000 0.255 95 A C 0.412 178.015 177.584 0.032 0.000 1.096 95 A CA -0.230 51.832 52.037 0.042 0.000 0.778 95 A CB 0.139 19.167 19.000 0.046 0.000 1.031 95 A HN 0.807 nan 8.150 nan 0.000 0.494 96 E N 1.558 121.747 120.200 -0.019 0.000 2.820 96 E HA 0.178 4.468 4.350 -0.100 0.000 0.251 96 E C 1.361 177.967 176.600 0.010 0.000 0.944 96 E CA 1.286 57.671 56.400 -0.026 0.000 0.955 96 E CB -0.073 29.595 29.700 -0.054 0.000 0.904 96 E HN 1.438 nan 8.360 nan 0.000 0.513 97 G N 3.898 112.717 108.800 0.032 0.000 2.176 97 G HA2 -0.287 3.613 3.960 -0.100 0.000 0.253 97 G HA3 -0.287 3.613 3.960 -0.100 0.000 0.253 97 G C 0.854 175.772 174.900 0.031 0.000 0.979 97 G CA 0.440 45.555 45.100 0.025 0.000 0.641 97 G HN 0.569 nan 8.290 nan 0.000 0.530 98 Q N 0.007 119.839 119.800 0.054 0.000 2.297 98 Q HA 0.369 4.649 4.340 -0.100 0.000 0.203 98 Q C 1.769 177.815 176.000 0.078 0.000 0.931 98 Q CA 1.589 57.426 55.803 0.057 0.000 0.885 98 Q CB 0.022 28.801 28.738 0.068 0.000 0.991 98 Q HN 1.814 nan 8.270 nan 0.000 0.498 99 G N 0.951 109.828 108.800 0.129 0.000 2.752 99 G HA2 -0.302 3.598 3.960 -0.100 0.000 0.234 99 G HA3 -0.302 3.598 3.960 -0.100 0.000 0.234 99 G C -1.097 173.937 174.900 0.224 0.000 1.367 99 G CA -0.015 45.180 45.100 0.158 0.000 0.879 99 G HN 0.295 nan 8.290 nan 0.000 0.563 100 Y N -0.203 120.136 120.300 0.065 0.000 2.399 100 Y HA 0.581 5.075 4.550 -0.092 0.000 0.327 100 Y C 0.087 176.015 175.900 0.048 0.000 1.111 100 Y CA -0.041 58.097 58.100 0.064 0.000 1.047 100 Y CB 1.897 40.412 38.460 0.091 0.000 1.259 100 Y HN 1.116 nan 8.280 nan 0.000 0.434 101 S N 5.799 121.310 115.700 -0.315 0.000 2.523 101 S HA 0.391 4.801 4.470 -0.100 0.000 0.275 101 S C 0.084 174.617 174.600 -0.111 0.000 1.281 101 S CA -0.366 57.730 58.200 -0.173 0.000 1.050 101 S CB 0.282 63.370 63.200 -0.186 0.000 0.937 101 S HN 0.812 nan 8.310 nan 0.000 0.492 102 L N 3.999 125.258 121.223 0.060 0.000 2.910 102 L HA 0.264 4.544 4.340 -0.100 0.000 0.252 102 L C 0.807 177.720 176.870 0.073 0.000 1.195 102 L CA -0.144 54.778 54.840 0.137 0.000 1.003 102 L CB 0.134 42.331 42.059 0.229 0.000 1.328 102 L HN 0.562 nan 8.230 nan 0.000 0.540 103 D N 1.006 121.414 120.400 0.015 0.000 2.178 103 D HA -0.195 4.385 4.640 -0.100 0.000 0.201 103 D C 1.863 178.163 176.300 -0.000 0.000 0.980 103 D CA 1.202 55.202 54.000 0.000 0.000 0.842 103 D CB 0.170 40.955 40.800 -0.025 0.000 0.948 103 D HN 0.457 nan 8.370 nan 0.000 0.472 104 Q N 0.606 120.406 119.800 -0.000 0.000 2.365 104 Q HA 0.066 4.346 4.340 -0.100 0.000 0.203 104 Q C 0.165 176.180 176.000 0.025 0.000 0.929 104 Q CA 0.186 55.991 55.803 0.003 0.000 0.948 104 Q CB -0.067 28.667 28.738 -0.006 0.000 1.043 104 Q HN -0.036 nan 8.270 nan 0.000 0.505 105 E N 0.660 120.889 120.200 0.047 0.000 2.373 105 E HA 0.173 4.463 4.350 -0.100 0.000 0.267 105 E C 0.743 177.369 176.600 0.043 0.000 1.032 105 E CA 0.516 56.955 56.400 0.064 0.000 0.889 105 E CB 1.006 30.764 29.700 0.097 0.000 0.984 105 E HN 0.341 nan 8.360 nan 0.000 0.425 106 A N 3.177 126.027 122.820 0.050 0.000 1.927 106 A HA -0.175 4.086 4.320 -0.100 0.000 0.220 106 A C 1.779 179.389 177.584 0.042 0.000 1.185 106 A CA 2.107 54.171 52.037 0.045 0.000 0.639 106 A CB -0.538 18.504 19.000 0.070 0.000 0.820 106 A HN 0.626 nan 8.150 nan 0.000 0.451 107 G N -1.787 107.075 108.800 0.104 0.000 3.233 107 G HA2 0.355 4.255 3.960 -0.100 0.000 0.227 107 G HA3 0.355 4.255 3.960 -0.100 0.000 0.227 107 G C 1.250 176.200 174.900 0.084 0.000 1.175 107 G CA 0.926 46.138 45.100 0.186 0.000 0.781 107 G HN 0.703 nan 8.290 nan 0.000 0.542 108 A N 2.250 125.083 122.820 0.021 0.000 1.908 108 A HA -0.125 4.135 4.320 -0.100 0.000 0.218 108 A C 2.303 179.868 177.584 -0.032 0.000 1.181 108 A CA 1.994 54.048 52.037 0.028 0.000 0.627 108 A CB -0.326 18.685 19.000 0.017 0.000 0.818 108 A HN 0.511 nan 8.150 nan 0.000 0.445 109 K N -1.791 118.503 120.400 -0.177 0.000 2.152 109 K HA -0.206 4.054 4.320 -0.100 0.000 0.206 109 K C 1.661 178.152 176.600 -0.181 0.000 1.048 109 K CA 1.792 57.938 56.287 -0.233 0.000 0.933 109 K CB -0.548 31.730 32.500 -0.371 0.000 0.721 109 K HN 0.493 nan 8.250 nan 0.000 0.447 110 Y N 1.547 121.884 120.300 0.061 0.000 2.206 110 Y HA -0.039 4.450 4.550 -0.101 0.000 0.292 110 Y C 2.571 178.527 175.900 0.094 0.000 1.123 110 Y CA 0.087 58.229 58.100 0.070 0.000 1.142 110 Y CB -0.654 37.844 38.460 0.064 0.000 1.006 110 Y HN -0.202 nan 8.280 nan 0.000 0.518 111 V N 0.520 120.585 119.914 0.253 0.000 2.392 111 V HA -0.297 3.764 4.120 -0.100 0.000 0.249 111 V C 1.929 178.125 176.094 0.170 0.000 1.059 111 V CA 1.901 64.344 62.300 0.237 0.000 1.051 111 V CB -0.612 31.372 31.823 0.268 0.000 0.658 111 V HN 0.352 nan 8.190 nan 0.000 0.455 112 K N 0.145 120.611 120.400 0.110 0.000 2.515 112 K HA 0.064 4.325 4.320 -0.100 0.000 0.196 112 K C 1.346 177.981 176.600 0.058 0.000 1.038 112 K CA 0.997 57.320 56.287 0.060 0.000 0.967 112 K CB -0.079 32.437 32.500 0.027 0.000 0.780 112 K HN 0.498 nan 8.250 nan 0.000 0.483 113 A N 0.282 123.161 122.820 0.099 0.000 2.624 113 A HA 0.261 4.521 4.320 -0.100 0.000 0.287 113 A C 0.067 177.739 177.584 0.147 0.000 1.087 113 A CA -0.517 51.584 52.037 0.105 0.000 0.964 113 A CB 0.087 19.153 19.000 0.109 0.000 1.231 113 A HN 0.077 nan 8.150 nan 0.000 0.551 114 M N 1.369 121.077 119.600 0.180 0.000 2.284 114 M HA 0.034 4.454 4.480 -0.100 0.000 0.351 114 M C 1.624 178.146 176.300 0.370 0.000 1.443 114 M CA 0.859 56.330 55.300 0.285 0.000 1.031 114 M CB 0.600 33.446 32.600 0.409 0.000 1.893 114 M HN 0.468 nan 8.290 nan 0.000 0.456 115 T N -0.304 114.433 114.554 0.304 0.000 3.057 115 T HA 0.111 4.401 4.350 -0.100 0.000 0.254 115 T C 0.360 175.258 174.700 0.330 0.000 1.094 115 T CA 0.417 62.694 62.100 0.294 0.000 1.088 115 T CB 0.083 69.060 68.868 0.182 0.000 0.934 115 T HN 0.832 nan 8.240 nan 0.000 0.497 116 Q N -1.231 118.673 119.800 0.173 0.000 2.854 116 Q HA 0.616 4.896 4.340 -0.100 0.000 0.328 116 Q C -0.470 175.383 176.000 -0.245 0.000 0.808 116 Q CA -0.959 54.717 55.803 -0.212 0.000 0.817 116 Q CB 0.773 29.462 28.738 -0.083 0.000 1.377 116 Q HN 0.473 nan 8.270 nan 0.000 0.497 117 G N -0.713 107.908 108.800 -0.298 0.000 2.362 117 G HA2 0.413 4.313 3.960 -0.100 0.000 0.288 117 G HA3 0.413 4.313 3.960 -0.100 0.000 0.288 117 G C -1.523 173.337 174.900 -0.066 0.000 1.305 117 G CA -0.178 44.868 45.100 -0.090 0.000 0.910 117 G HN 0.783 nan 8.290 nan 0.000 0.518 118 T N 0.059 114.658 114.554 0.076 0.000 2.916 118 T HA 0.658 4.948 4.350 -0.100 0.000 0.298 118 T C -0.905 173.908 174.700 0.190 0.000 1.031 118 T CA -0.277 61.882 62.100 0.097 0.000 0.993 118 T CB 1.678 70.545 68.868 -0.003 0.000 1.045 118 T HN 0.633 nan 8.240 nan 0.000 0.454 119 I N 2.923 123.585 120.570 0.153 0.000 2.466 119 I HA 0.611 4.721 4.170 -0.100 0.000 0.289 119 I C -0.762 175.404 176.117 0.081 0.000 1.026 119 I CA -0.651 60.694 61.300 0.075 0.000 1.078 119 I CB 1.868 39.875 38.000 0.012 0.000 1.249 119 I HN 0.611 nan 8.210 nan 0.000 0.429 120 I N 7.967 128.577 120.570 0.067 0.000 2.498 120 I HA 0.728 4.838 4.170 -0.100 0.000 0.290 120 I C -1.577 174.568 176.117 0.048 0.000 1.032 120 I CA -0.566 60.778 61.300 0.073 0.000 1.073 120 I CB 1.221 39.274 38.000 0.087 0.000 1.251 120 I HN 0.611 nan 8.210 nan 0.000 0.426 121 L N 3.769 125.040 121.223 0.079 0.000 2.466 121 L HA 0.689 4.969 4.340 -0.100 0.000 0.258 121 L C -1.209 175.771 176.870 0.184 0.000 0.973 121 L CA -0.618 54.282 54.840 0.100 0.000 0.826 121 L CB 1.891 43.992 42.059 0.070 0.000 1.372 121 L HN 0.502 nan 8.230 nan 0.000 0.409 122 S N 1.291 117.103 115.700 0.187 0.000 2.451 122 S HA 0.811 5.221 4.470 -0.100 0.000 0.301 122 S C -1.094 173.753 174.600 0.411 0.000 1.116 122 S CA -0.325 58.020 58.200 0.241 0.000 1.093 122 S CB 0.615 63.887 63.200 0.119 0.000 1.017 122 S HN 0.745 nan 8.310 nan 0.000 0.482 123 Y N 1.664 122.188 120.300 0.373 0.000 2.625 123 Y HA 0.714 5.212 4.550 -0.086 0.000 0.338 123 Y C -1.171 174.721 175.900 -0.014 0.000 1.123 123 Y CA -1.227 57.026 58.100 0.255 0.000 1.046 123 Y CB 1.192 39.704 38.460 0.087 0.000 1.299 123 Y HN 0.556 nan 8.280 nan 0.000 0.464 124 K N 2.221 122.499 120.400 -0.203 0.000 2.613 124 K HA 0.512 4.772 4.320 -0.100 0.000 0.248 124 K C -1.465 175.185 176.600 0.084 0.000 0.959 124 K CA -0.568 55.428 56.287 -0.484 0.000 0.855 124 K CB 1.732 33.538 32.500 -1.157 0.000 1.143 124 K HN 0.822 nan 8.250 nan 0.000 0.437 125 S N 2.139 117.968 115.700 0.216 0.000 2.499 125 S HA 0.168 4.578 4.470 -0.100 0.000 0.279 125 S C 0.663 175.202 174.600 -0.100 0.000 1.219 125 S CA -0.313 57.936 58.200 0.082 0.000 1.062 125 S CB 0.806 64.164 63.200 0.263 0.000 0.978 125 S HN 0.695 nan 8.310 nan 0.000 0.489 126 T N 0.769 115.188 114.554 -0.225 0.000 3.085 126 T HA 0.300 4.590 4.350 -0.100 0.000 0.264 126 T C 0.458 175.068 174.700 -0.150 0.000 1.019 126 T CA -0.356 61.648 62.100 -0.159 0.000 0.910 126 T CB 0.133 68.911 68.868 -0.151 0.000 1.059 126 T HN 0.407 nan 8.240 nan 0.000 0.542 127 S N 0.325 115.919 115.700 -0.178 0.000 2.549 127 S HA 0.447 4.857 4.470 -0.100 0.000 0.297 127 S C 0.376 174.943 174.600 -0.055 0.000 1.115 127 S CA -0.582 57.543 58.200 -0.126 0.000 1.059 127 S CB 1.438 64.534 63.200 -0.173 0.000 1.046 127 S HN 0.130 nan 8.310 nan 0.000 0.506 128 E N 2.143 122.324 120.200 -0.033 0.000 2.444 128 E HA 0.193 4.483 4.350 -0.100 0.000 0.191 128 E C -0.437 176.170 176.600 0.012 0.000 1.041 128 E CA -0.107 56.290 56.400 -0.005 0.000 0.883 128 E CB -0.168 29.526 29.700 -0.009 0.000 1.024 128 E HN 0.516 nan 8.360 nan 0.000 0.470 129 N N 0.617 119.324 118.700 0.012 0.000 2.412 129 N HA -0.032 4.648 4.740 -0.100 0.000 0.254 129 N C 1.328 176.872 175.510 0.056 0.000 1.232 129 N CA 0.537 53.608 53.050 0.034 0.000 0.880 129 N CB 0.895 39.407 38.487 0.043 0.000 1.076 129 N HN 0.102 nan 8.380 nan 0.000 0.458 130 G N 2.398 111.231 108.800 0.056 0.000 2.514 130 G HA2 -0.153 3.747 3.960 -0.100 0.000 0.217 130 G HA3 -0.153 3.747 3.960 -0.100 0.000 0.217 130 G C 0.469 175.410 174.900 0.068 0.000 1.198 130 G CA 0.737 45.873 45.100 0.059 0.000 0.780 130 G HN 0.538 nan 8.290 nan 0.000 0.565 131 I N 0.518 121.129 120.570 0.069 0.000 2.406 131 I HA 0.379 4.489 4.170 -0.100 0.000 0.290 131 I C -0.800 175.396 176.117 0.132 0.000 0.999 131 I CA -0.354 60.966 61.300 0.034 0.000 1.124 131 I CB 1.538 39.446 38.000 -0.153 0.000 1.289 131 I HN 0.214 nan 8.210 nan 0.000 0.441 132 Q N 4.030 123.937 119.800 0.178 0.000 2.347 132 Q HA 0.378 4.658 4.340 -0.100 0.000 0.265 132 Q C -0.627 175.516 176.000 0.237 0.000 1.024 132 Q CA -0.454 55.498 55.803 0.248 0.000 0.731 132 Q CB 2.295 31.216 28.738 0.306 0.000 1.245 132 Q HN 0.521 nan 8.270 nan 0.000 0.472 133 S N 2.701 118.561 115.700 0.266 0.000 2.531 133 S HA 0.087 4.497 4.470 -0.100 0.000 0.279 133 S C 0.747 175.364 174.600 0.029 0.000 1.305 133 S CA -0.311 58.033 58.200 0.241 0.000 1.058 133 S CB 0.583 63.951 63.200 0.280 0.000 0.899 133 S HN 0.473 nan 8.310 nan 0.000 0.493 134 L N 2.445 123.617 121.223 -0.084 0.000 2.168 134 L HA 0.456 4.736 4.340 -0.100 0.000 0.203 134 L C 0.175 177.039 176.870 -0.011 0.000 1.078 134 L CA 1.300 55.978 54.840 -0.271 0.000 0.780 134 L CB -0.505 41.375 42.059 -0.298 0.000 0.939 134 L HN 0.695 nan 8.230 nan 0.000 0.451 135 F N -0.726 119.179 119.950 -0.076 0.000 2.608 135 F HA 0.553 5.024 4.527 -0.093 0.000 0.309 135 F C -0.697 175.123 175.800 0.032 0.000 1.103 135 F CA -0.827 57.177 58.000 0.008 0.000 0.954 135 F CB 1.689 40.721 39.000 0.053 0.000 1.267 135 F HN -0.094 nan 8.300 nan 0.000 0.444 136 S N 3.592 118.843 115.700 -0.748 0.000 2.550 136 S HA 0.900 5.310 4.470 -0.100 0.000 0.270 136 S C -2.195 172.067 174.600 -0.562 0.000 1.145 136 S CA -0.778 57.111 58.200 -0.518 0.000 0.852 136 S CB 1.749 64.817 63.200 -0.219 0.000 1.119 136 S HN 0.748 nan 8.310 nan 0.000 0.465 137 V N 1.052 120.839 119.914 -0.212 0.000 2.668 137 V HA 0.925 4.985 4.120 -0.100 0.000 0.304 137 V C 0.531 176.642 176.094 0.028 0.000 1.071 137 V CA 0.445 62.689 62.300 -0.093 0.000 0.894 137 V CB 1.225 33.043 31.823 -0.008 0.000 1.008 137 V HN 1.561 nan 8.190 nan 0.000 0.425 138 G N 3.033 111.838 108.800 0.007 0.000 2.428 138 G HA2 0.329 4.229 3.960 -0.100 0.000 0.305 138 G HA3 0.329 4.229 3.960 -0.100 0.000 0.305 138 G C -1.799 173.107 174.900 0.011 0.000 1.260 138 G CA -0.583 44.546 45.100 0.048 0.000 0.853 138 G HN 0.543 nan 8.290 nan 0.000 0.480 139 N N 0.223 118.932 118.700 0.016 0.000 2.437 139 N HA 0.361 5.041 4.740 -0.100 0.000 0.259 139 N C 1.128 176.630 175.510 -0.014 0.000 0.983 139 N CA 0.195 53.239 53.050 -0.009 0.000 0.937 139 N CB 1.751 40.225 38.487 -0.021 0.000 1.122 139 N HN 0.556 nan 8.380 nan 0.000 0.499 140 S N 0.859 116.541 115.700 -0.031 0.000 2.593 140 S HA 0.000 4.410 4.470 -0.100 0.000 0.217 140 S C 0.878 175.452 174.600 -0.043 0.000 0.966 140 S CA -0.103 58.071 58.200 -0.045 0.000 0.914 140 S CB -0.596 62.572 63.200 -0.052 0.000 0.776 140 S HN 0.620 nan 8.310 nan 0.000 0.523 141 T N 0.287 114.819 114.554 -0.036 0.000 2.788 141 T HA 0.674 4.964 4.350 -0.100 0.000 0.287 141 T C 0.422 175.100 174.700 -0.037 0.000 1.007 141 T CA -0.318 61.761 62.100 -0.036 0.000 1.005 141 T CB 0.762 69.611 68.868 -0.031 0.000 1.012 141 T HN 0.489 nan 8.240 nan 0.000 0.530 142 A N 0.291 123.090 122.820 -0.035 0.000 2.540 142 A HA 0.492 4.752 4.320 -0.100 0.000 0.239 142 A C 1.743 179.306 177.584 -0.035 0.000 1.061 142 A CA 0.225 52.241 52.037 -0.035 0.000 0.758 142 A CB -1.441 17.540 19.000 -0.031 0.000 0.991 142 A HN 2.347 nan 8.150 nan 0.000 0.502 143 G N 1.974 110.753 108.800 -0.036 0.000 2.184 143 G HA2 -0.324 3.576 3.960 -0.100 0.000 0.264 143 G HA3 -0.324 3.576 3.960 -0.100 0.000 0.264 143 G C 0.328 175.202 174.900 -0.043 0.000 0.975 143 G CA 0.917 45.995 45.100 -0.037 0.000 0.642 143 G HN 0.931 nan 8.290 nan 0.000 0.536 144 N N 0.877 119.552 118.700 -0.042 0.000 2.328 144 N HA 0.189 4.869 4.740 -0.100 0.000 0.247 144 N C 1.939 177.431 175.510 -0.031 0.000 1.165 144 N CA 0.324 53.346 53.050 -0.046 0.000 0.873 144 N CB 0.242 38.702 38.487 -0.044 0.000 1.125 144 N HN 0.574 nan 8.380 nan 0.000 0.513 145 Q N -0.318 119.467 119.800 -0.024 0.000 2.437 145 Q HA -0.108 4.172 4.340 -0.100 0.000 0.210 145 Q C -0.321 175.713 176.000 0.057 0.000 0.972 145 Q CA 1.277 57.087 55.803 0.011 0.000 0.903 145 Q CB 0.071 28.795 28.738 -0.022 0.000 0.967 145 Q HN 0.248 nan 8.270 nan 0.000 0.486 146 D N 0.918 121.283 120.400 -0.058 0.000 2.424 146 D HA 0.170 4.750 4.640 -0.100 0.000 0.220 146 D C -0.356 175.731 176.300 -0.354 0.000 1.150 146 D CA -0.029 53.857 54.000 -0.190 0.000 0.831 146 D CB 0.357 41.072 40.800 -0.140 0.000 0.981 146 D HN 0.181 nan 8.370 nan 0.000 0.500 147 R N 1.773 122.120 120.500 -0.255 0.000 2.335 147 R HA 0.300 4.580 4.340 -0.100 0.000 0.302 147 R C -0.216 176.015 176.300 -0.115 0.000 1.147 147 R CA -0.403 55.559 56.100 -0.232 0.000 1.111 147 R CB 0.657 30.876 30.300 -0.136 0.000 1.122 147 R HN 0.261 nan 8.270 nan 0.000 0.557 148 H N 0.148 119.209 119.070 -0.014 0.000 2.935 148 H HA 0.264 4.760 4.556 -0.100 0.000 0.297 148 H C -1.892 173.526 175.328 0.150 0.000 1.423 148 H CA -0.874 55.192 56.048 0.031 0.000 1.161 148 H CB 1.173 30.917 29.762 -0.031 0.000 1.841 148 H HN 0.279 nan 8.280 nan 0.000 0.506 149 F N 2.990 123.076 119.950 0.226 0.000 2.540 149 F HA 0.545 5.010 4.527 -0.103 0.000 0.317 149 F C -1.326 174.654 175.800 0.300 0.000 1.104 149 F CA -0.275 57.856 58.000 0.217 0.000 0.913 149 F CB 1.702 40.694 39.000 -0.013 0.000 1.170 149 F HN 0.877 nan 8.300 nan 0.000 0.450 150 H N 5.435 123.953 119.070 -0.920 0.000 3.064 150 H HA 0.495 4.992 4.556 -0.100 0.000 0.352 150 H C -1.990 172.986 175.328 -0.587 0.000 1.260 150 H CA -1.274 54.351 56.048 -0.706 0.000 1.160 150 H CB 1.240 30.872 29.762 -0.217 0.000 1.879 150 H HN 0.720 nan 8.280 nan 0.000 0.544 151 I N 3.605 123.924 120.570 -0.418 0.000 2.378 151 I HA 0.302 4.412 4.170 -0.100 0.000 0.291 151 I C -0.866 175.111 176.117 -0.234 0.000 0.992 151 I CA -0.928 60.184 61.300 -0.313 0.000 1.154 151 I CB 1.001 38.977 38.000 -0.040 0.000 1.315 151 I HN 0.569 nan 8.210 nan 0.000 0.448 152 Y N 6.168 126.270 120.300 -0.329 0.000 2.634 152 Y HA 0.887 5.378 4.550 -0.097 0.000 0.340 152 Y C -0.955 174.849 175.900 -0.161 0.000 1.058 152 Y CA -1.578 56.389 58.100 -0.220 0.000 1.081 152 Y CB 1.085 39.403 38.460 -0.236 0.000 1.295 152 Y HN 0.442 nan 8.280 nan 0.000 0.487 153 I N -0.560 120.037 120.570 0.045 0.000 2.934 153 I HA 0.904 5.014 4.170 -0.100 0.000 0.306 153 I C -0.437 175.808 176.117 0.214 0.000 1.110 153 I CA -0.949 60.374 61.300 0.038 0.000 1.019 153 I CB 2.466 40.438 38.000 -0.047 0.000 1.227 153 I HN 0.862 nan 8.210 nan 0.000 0.434 154 T N -1.258 113.406 114.554 0.184 0.000 2.942 154 T HA 0.357 4.647 4.350 -0.100 0.000 0.289 154 T C 0.588 175.368 174.700 0.135 0.000 1.044 154 T CA -0.341 61.858 62.100 0.166 0.000 1.023 154 T CB 1.372 70.338 68.868 0.163 0.000 1.123 154 T HN 0.899 nan 8.240 nan 0.000 0.512 155 N N 0.195 118.961 118.700 0.110 0.000 2.573 155 N HA -0.115 4.565 4.740 -0.100 0.000 0.187 155 N C 1.256 176.824 175.510 0.097 0.000 1.107 155 N CA 0.584 53.690 53.050 0.094 0.000 0.918 155 N CB -0.107 38.421 38.487 0.067 0.000 0.966 155 N HN 0.588 nan 8.380 nan 0.000 0.448 156 S N -1.508 114.257 115.700 0.108 0.000 2.572 156 S HA 0.414 4.824 4.470 -0.100 0.000 0.228 156 S C 1.300 175.979 174.600 0.131 0.000 0.963 156 S CA -0.092 58.177 58.200 0.115 0.000 0.939 156 S CB 0.296 63.563 63.200 0.111 0.000 0.804 156 S HN 0.520 nan 8.310 nan 0.000 0.480 157 G N 0.351 109.232 108.800 0.135 0.000 2.176 157 G HA2 -0.134 3.766 3.960 -0.100 0.000 0.253 157 G HA3 -0.134 3.766 3.960 -0.100 0.000 0.253 157 G C 0.457 175.431 174.900 0.123 0.000 0.979 157 G CA -0.270 44.914 45.100 0.140 0.000 0.641 157 G HN 1.089 nan 8.290 nan 0.000 0.530 158 G N -0.633 108.237 108.800 0.116 0.000 2.539 158 G HA2 0.609 4.509 3.960 -0.100 0.000 0.258 158 G HA3 0.609 4.509 3.960 -0.100 0.000 0.258 158 G C -0.318 174.601 174.900 0.031 0.000 1.202 158 G CA 0.103 45.257 45.100 0.089 0.000 0.851 158 G HN 1.140 nan 8.290 nan 0.000 0.556 159 I N 0.097 120.628 120.570 -0.065 0.000 2.722 159 I HA 0.739 4.849 4.170 -0.100 0.000 0.295 159 I C 0.072 175.942 176.117 -0.411 0.000 1.161 159 I CA -0.417 60.736 61.300 -0.245 0.000 1.032 159 I CB 2.106 40.038 38.000 -0.112 0.000 1.244 159 I HN 0.892 nan 8.210 nan 0.000 0.421 160 G N 6.191 114.460 108.800 -0.885 0.000 2.489 160 G HA2 0.594 4.494 3.960 -0.100 0.000 0.305 160 G HA3 0.594 4.494 3.960 -0.100 0.000 0.305 160 G C -1.876 172.570 174.900 -0.756 0.000 1.311 160 G CA -0.539 44.139 45.100 -0.702 0.000 0.813 160 G HN 0.872 nan 8.290 nan 0.000 0.480 161 I N -3.362 117.060 120.570 -0.246 0.000 2.969 161 I HA 0.885 4.995 4.170 -0.100 0.000 0.307 161 I C -1.183 175.001 176.117 0.112 0.000 1.149 161 I CA -1.023 60.211 61.300 -0.110 0.000 1.008 161 I CB 2.764 40.830 38.000 0.110 0.000 1.232 161 I HN 0.441 nan 8.210 nan 0.000 0.435 162 E N 3.984 124.252 120.200 0.114 0.000 2.260 162 E HA 0.480 4.770 4.350 -0.100 0.000 0.266 162 E C -1.638 175.188 176.600 0.376 0.000 0.887 162 E CA -0.649 55.928 56.400 0.295 0.000 0.777 162 E CB 3.127 33.071 29.700 0.406 0.000 1.205 162 E HN 0.532 nan 8.360 nan 0.000 0.414 163 L N 4.304 125.766 121.223 0.399 0.000 2.318 163 L HA 0.511 4.791 4.340 -0.100 0.000 0.277 163 L C -0.881 176.203 176.870 0.357 0.000 1.008 163 L CA -0.401 54.705 54.840 0.443 0.000 0.846 163 L CB 0.412 42.702 42.059 0.384 0.000 1.220 163 L HN 0.430 nan 8.230 nan 0.000 0.423 164 R N 3.416 124.022 120.500 0.177 0.000 2.795 164 R HA 0.353 4.633 4.340 -0.100 0.000 0.275 164 R C -0.677 175.336 176.300 -0.478 0.000 0.981 164 R CA -0.687 55.321 56.100 -0.154 0.000 0.917 164 R CB 2.181 32.305 30.300 -0.293 0.000 1.202 164 R HN 0.569 nan 8.270 nan 0.000 0.469 165 N N 0.987 119.175 118.700 -0.853 0.000 2.604 165 N HA -0.030 4.650 4.740 -0.100 0.000 0.284 165 N C -1.489 173.686 175.510 -0.558 0.000 1.716 165 N CA 0.300 52.880 53.050 -0.782 0.000 0.859 165 N CB 0.645 38.415 38.487 -1.195 0.000 1.403 165 N HN 0.862 nan 8.380 nan 0.000 0.501 166 T N -2.007 112.314 114.554 -0.388 0.000 0.541 166 T HA -0.133 4.157 4.350 -0.100 0.000 0.774 166 T C 0.287 174.856 174.700 -0.218 0.000 0.992 166 T CA 0.202 62.157 62.100 -0.242 0.000 4.077 166 T CB -0.697 68.063 68.868 -0.180 0.000 2.303 166 T HN 0.120 nan 8.240 nan 0.000 0.398 167 D N 2.163 122.491 120.400 -0.120 0.000 2.221 167 D HA 0.004 4.584 4.640 -0.100 0.000 0.204 167 D C 2.253 178.529 176.300 -0.040 0.000 0.982 167 D CA 2.004 55.968 54.000 -0.059 0.000 0.857 167 D CB -0.912 39.876 40.800 -0.020 0.000 0.934 167 D HN 0.977 nan 8.370 nan 0.000 0.475 168 G N 0.176 108.941 108.800 -0.057 0.000 2.448 168 G HA2 -0.084 3.816 3.960 -0.100 0.000 0.218 168 G HA3 -0.084 3.816 3.960 -0.100 0.000 0.218 168 G C 1.711 176.593 174.900 -0.031 0.000 1.135 168 G CA 0.473 45.554 45.100 -0.032 0.000 0.784 168 G HN 0.253 nan 8.290 nan 0.000 0.543 169 V N -0.421 119.433 119.914 -0.099 0.000 2.403 169 V HA 0.396 4.456 4.120 -0.100 0.000 0.239 169 V C 0.396 176.499 176.094 0.016 0.000 1.041 169 V CA 1.405 63.648 62.300 -0.095 0.000 1.051 169 V CB -0.577 31.090 31.823 -0.261 0.000 0.704 169 V HN 0.416 nan 8.190 nan 0.000 0.472 170 F N -1.025 118.854 119.950 -0.118 0.000 2.725 170 F HA 0.673 5.140 4.527 -0.100 0.000 0.311 170 F C -1.420 174.285 175.800 -0.158 0.000 1.121 170 F CA -1.484 56.400 58.000 -0.193 0.000 0.978 170 F CB 1.131 39.818 39.000 -0.521 0.000 1.274 170 F HN -0.064 nan 8.300 nan 0.000 0.440 171 N N 2.059 120.903 118.700 0.239 0.000 2.732 171 N HA 0.269 4.949 4.740 -0.100 0.000 0.247 171 N C -2.356 173.413 175.510 0.431 0.000 1.305 171 N CA -0.399 52.789 53.050 0.230 0.000 0.762 171 N CB 0.410 38.976 38.487 0.131 0.000 1.361 171 N HN 0.616 nan 8.380 nan 0.000 0.545 172 Y N 0.900 121.334 120.300 0.223 0.000 2.326 172 Y HA 0.514 5.004 4.550 -0.101 0.000 0.337 172 Y C 0.888 176.879 175.900 0.152 0.000 1.023 172 Y CA -0.918 57.267 58.100 0.143 0.000 1.143 172 Y CB 1.085 39.594 38.460 0.082 0.000 1.183 172 Y HN 0.361 nan 8.280 nan 0.000 0.485 173 T N 1.586 116.294 114.554 0.257 0.000 2.906 173 T HA 0.793 5.083 4.350 -0.100 0.000 0.295 173 T C -1.396 173.380 174.700 0.127 0.000 1.061 173 T CA -0.859 61.358 62.100 0.195 0.000 1.000 173 T CB 2.251 71.221 68.868 0.169 0.000 1.103 173 T HN 0.386 nan 8.240 nan 0.000 0.486 174 L N 1.740 123.028 121.223 0.108 0.000 2.549 174 L HA 0.743 5.023 4.340 -0.100 0.000 0.259 174 L C -1.974 174.909 176.870 0.022 0.000 0.934 174 L CA -0.140 54.733 54.840 0.054 0.000 0.865 174 L CB 2.072 44.160 42.059 0.048 0.000 1.352 174 L HN 1.148 nan 8.230 nan 0.000 0.410 175 D N 3.163 123.568 120.400 0.008 0.000 2.671 175 D HA 0.430 5.010 4.640 -0.100 0.000 0.273 175 D C -1.569 174.726 176.300 -0.009 0.000 1.264 175 D CA -0.776 53.212 54.000 -0.020 0.000 0.788 175 D CB 2.173 42.997 40.800 0.040 0.000 1.324 175 D HN 0.585 nan 8.370 nan 0.000 0.424 176 R N 0.800 121.292 120.500 -0.013 0.000 2.508 176 R HA 0.392 4.672 4.340 -0.100 0.000 0.283 176 R C -3.012 173.304 176.300 0.026 0.000 1.120 176 R CA -1.267 54.837 56.100 0.006 0.000 0.958 176 R CB 2.336 32.630 30.300 -0.009 0.000 1.215 176 R HN 0.249 nan 8.270 nan 0.000 0.427 177 P HA 0.054 nan 4.420 nan 0.000 0.271 177 P C -0.603 176.749 177.300 0.087 0.000 1.233 177 P CA 0.281 63.429 63.100 0.081 0.000 0.789 177 P CB 0.653 32.412 31.700 0.099 0.000 0.951 178 A N 0.679 123.570 122.820 0.118 0.000 2.596 178 A HA -0.213 4.047 4.320 -0.100 0.000 0.300 178 A C 1.372 179.014 177.584 0.096 0.000 1.495 178 A CA 1.401 53.517 52.037 0.132 0.000 0.769 178 A CB -2.469 16.640 19.000 0.181 0.000 1.047 178 A HN 0.407 nan 8.150 nan 0.000 0.436 179 S N -2.004 113.748 115.700 0.087 0.000 2.483 179 S HA 0.341 4.751 4.470 -0.100 0.000 0.221 179 S C 0.918 175.581 174.600 0.104 0.000 1.030 179 S CA 0.752 58.997 58.200 0.075 0.000 0.925 179 S CB 0.275 63.506 63.200 0.051 0.000 0.795 179 S HN 1.761 nan 8.310 nan 0.000 0.511 180 V N 0.575 120.567 119.914 0.130 0.000 3.141 180 V HA 0.803 4.863 4.120 -0.100 0.000 0.312 180 V C -0.759 175.422 176.094 0.145 0.000 1.157 180 V CA -1.502 60.893 62.300 0.157 0.000 1.041 180 V CB 1.980 33.946 31.823 0.238 0.000 1.071 180 V HN 0.380 nan 8.190 nan 0.000 0.441 181 R N 1.208 121.777 120.500 0.115 0.000 2.930 181 R HA 0.963 5.243 4.340 -0.100 0.000 0.257 181 R C 0.069 176.392 176.300 0.039 0.000 1.107 181 R CA -0.247 55.903 56.100 0.083 0.000 0.999 181 R CB 1.918 32.253 30.300 0.058 0.000 1.209 181 R HN 0.912 nan 8.270 nan 0.000 0.486 182 A N 0.586 123.421 122.820 0.025 0.000 1.988 182 A HA 0.316 4.576 4.320 -0.100 0.000 0.198 182 A C 0.252 177.802 177.584 -0.058 0.000 1.507 182 A CA -0.021 52.015 52.037 -0.001 0.000 0.901 182 A CB 0.367 19.386 19.000 0.031 0.000 1.007 182 A HN 0.504 nan 8.150 nan 0.000 0.502 183 L N -0.969 120.236 121.223 -0.030 0.000 2.381 183 L HA 0.726 5.006 4.340 -0.100 0.000 0.268 183 L C -1.747 175.160 176.870 0.062 0.000 0.997 183 L CA -1.003 53.822 54.840 -0.026 0.000 0.818 183 L CB 2.342 44.377 42.059 -0.041 0.000 1.310 183 L HN 0.303 nan 8.230 nan 0.000 0.416 184 Y N 4.808 125.044 120.300 -0.106 0.000 2.396 184 Y HA 0.367 4.859 4.550 -0.098 0.000 0.332 184 Y C -0.612 175.327 175.900 0.065 0.000 1.034 184 Y CA -1.208 56.878 58.100 -0.024 0.000 1.057 184 Y CB 1.125 39.486 38.460 -0.166 0.000 1.220 184 Y HN 0.616 nan 8.280 nan 0.000 0.440 185 K N 4.407 124.675 120.400 -0.220 0.000 3.150 185 K HA -0.187 4.073 4.320 -0.100 0.000 0.267 185 K C 0.887 177.489 176.600 0.003 0.000 1.028 185 K CA 1.145 57.383 56.287 -0.081 0.000 0.753 185 K CB -1.873 30.457 32.500 -0.283 0.000 1.288 185 K HN 1.643 nan 8.250 nan 0.000 0.473 186 G N -0.757 108.018 108.800 -0.042 0.000 2.189 186 G HA2 -0.347 3.553 3.960 -0.100 0.000 0.267 186 G HA3 -0.347 3.553 3.960 -0.100 0.000 0.267 186 G C -0.078 174.791 174.900 -0.052 0.000 0.975 186 G CA 0.958 46.009 45.100 -0.083 0.000 0.644 186 G HN 0.484 nan 8.290 nan 0.000 0.537 187 E N -0.209 119.978 120.200 -0.023 0.000 2.288 187 E HA 0.519 4.809 4.350 -0.100 0.000 0.268 187 E C 0.007 176.593 176.600 -0.023 0.000 0.885 187 E CA -1.203 55.190 56.400 -0.012 0.000 0.767 187 E CB 1.116 30.829 29.700 0.022 0.000 1.220 187 E HN 0.070 nan 8.360 nan 0.000 0.427 188 R N 1.282 121.755 120.500 -0.045 0.000 2.489 188 R HA 0.157 4.437 4.340 -0.100 0.000 0.287 188 R C -0.069 176.169 176.300 -0.104 0.000 1.053 188 R CA -0.046 56.001 56.100 -0.089 0.000 1.036 188 R CB 0.205 30.439 30.300 -0.110 0.000 0.966 188 R HN 0.391 nan 8.270 nan 0.000 0.432 189 V N 0.154 119.968 119.914 -0.166 0.000 3.046 189 V HA 0.596 4.656 4.120 -0.100 0.000 0.316 189 V C -0.205 175.769 176.094 -0.201 0.000 1.104 189 V CA -1.187 61.031 62.300 -0.136 0.000 1.006 189 V CB 1.592 33.196 31.823 -0.365 0.000 1.058 189 V HN 0.421 nan 8.190 nan 0.000 0.440 190 F N 1.801 121.744 119.950 -0.011 0.000 2.399 190 F HA 0.546 5.071 4.527 -0.004 0.000 0.342 190 F C 0.547 176.304 175.800 -0.071 0.000 1.106 190 F CA 0.332 58.284 58.000 -0.079 0.000 1.196 190 F CB 1.046 40.041 39.000 -0.009 0.000 1.163 190 F HN 0.639 nan 8.300 nan 0.000 0.547 191 N N 0.032 118.625 118.700 -0.179 0.000 2.292 191 N HA 0.573 5.253 4.740 -0.100 0.000 0.303 191 N C -1.411 174.083 175.510 -0.026 0.000 1.140 191 N CA -0.805 52.179 53.050 -0.111 0.000 0.788 191 N CB 1.911 40.251 38.487 -0.245 0.000 1.361 191 N HN 0.367 nan 8.380 nan 0.000 0.489 192 T N 0.361 114.969 114.554 0.091 0.000 2.809 192 T HA 0.587 4.877 4.350 -0.100 0.000 0.284 192 T C -0.365 174.428 174.700 0.155 0.000 0.992 192 T CA -0.709 61.465 62.100 0.123 0.000 0.957 192 T CB 0.678 69.590 68.868 0.074 0.000 0.942 192 T HN 0.345 nan 8.240 nan 0.000 0.439 193 V N -0.092 119.938 119.914 0.194 0.000 3.126 193 V HA 1.092 5.152 4.120 -0.100 0.000 0.314 193 V C -0.826 175.362 176.094 0.157 0.000 1.138 193 V CA -1.378 61.035 62.300 0.189 0.000 1.034 193 V CB 1.607 33.555 31.823 0.209 0.000 1.075 193 V HN 1.175 nan 8.190 nan 0.000 0.442 194 A N 2.228 125.162 122.820 0.191 0.000 2.566 194 A HA 0.831 5.091 4.320 -0.100 0.000 0.297 194 A C -1.644 176.104 177.584 0.273 0.000 1.059 194 A CA -0.467 51.678 52.037 0.181 0.000 0.691 194 A CB 1.733 20.775 19.000 0.070 0.000 1.282 194 A HN 1.889 nan 8.150 nan 0.000 0.401 195 L N 1.284 122.649 121.223 0.238 0.000 2.362 195 L HA 0.754 5.034 4.340 -0.100 0.000 0.275 195 L C -0.358 176.645 176.870 0.222 0.000 0.998 195 L CA -0.237 54.767 54.840 0.273 0.000 0.820 195 L CB 1.598 43.864 42.059 0.345 0.000 1.270 195 L HN 0.689 nan 8.230 nan 0.000 0.415 196 K N 4.565 125.098 120.400 0.221 0.000 2.358 196 K HA 0.811 5.071 4.320 -0.100 0.000 0.260 196 K C -1.394 175.246 176.600 0.066 0.000 0.956 196 K CA -0.537 55.822 56.287 0.121 0.000 0.834 196 K CB 1.568 34.178 32.500 0.183 0.000 1.102 196 K HN 0.768 nan 8.250 nan 0.000 0.431 197 A N 4.265 127.039 122.820 -0.077 0.000 2.394 197 A HA 0.197 4.457 4.320 -0.100 0.000 0.333 197 A C -1.008 176.538 177.584 -0.064 0.000 1.397 197 A CA -0.634 51.344 52.037 -0.098 0.000 0.884 197 A CB 0.490 19.044 19.000 -0.744 0.000 1.147 197 A HN 0.756 nan 8.150 nan 0.000 0.505 198 D N 3.344 123.711 120.400 -0.056 0.000 2.456 198 D HA 0.477 5.057 4.640 -0.100 0.000 0.219 198 D C 1.194 177.066 176.300 -0.714 0.000 1.126 198 D CA 0.428 54.275 54.000 -0.255 0.000 0.890 198 D CB 1.270 41.983 40.800 -0.145 0.000 1.025 198 D HN 0.445 nan 8.370 nan 0.000 0.511 199 A N 3.847 126.139 122.820 -0.881 0.000 1.902 199 A HA -0.077 4.183 4.320 -0.100 0.000 0.217 199 A C 2.126 179.300 177.584 -0.683 0.000 1.181 199 A CA 1.728 53.006 52.037 -1.265 0.000 0.623 199 A CB -0.482 18.165 19.000 -0.589 0.000 0.818 199 A HN 0.597 nan 8.150 nan 0.000 0.443 200 A N 0.056 122.641 122.820 -0.391 0.000 1.908 200 A HA -0.187 4.073 4.320 -0.100 0.000 0.218 200 A C 1.763 179.218 177.584 -0.214 0.000 1.181 200 A CA 1.749 53.643 52.037 -0.238 0.000 0.627 200 A CB -0.471 18.430 19.000 -0.164 0.000 0.818 200 A HN 0.556 nan 8.150 nan 0.000 0.445 201 N N -0.678 117.883 118.700 -0.231 0.000 2.280 201 N HA 0.056 4.737 4.740 -0.100 0.000 0.192 201 N C -0.594 174.825 175.510 -0.153 0.000 1.109 201 N CA 0.264 53.221 53.050 -0.155 0.000 0.855 201 N CB 0.199 38.623 38.487 -0.106 0.000 0.974 201 N HN 0.428 nan 8.380 nan 0.000 0.482 202 K N 0.923 121.152 120.400 -0.285 0.000 3.278 202 K HA -0.236 4.024 4.320 -0.100 0.000 0.270 202 K C -0.270 176.376 176.600 0.077 0.000 0.955 202 K CA 0.547 56.755 56.287 -0.132 0.000 0.723 202 K CB -1.132 31.364 32.500 -0.007 0.000 1.382 202 K HN 0.395 nan 8.250 nan 0.000 0.461 203 Q N -0.067 119.771 119.800 0.064 0.000 2.379 203 Q HA 0.486 4.766 4.340 -0.100 0.000 0.278 203 Q C -1.464 174.642 176.000 0.177 0.000 1.068 203 Q CA -0.925 54.941 55.803 0.105 0.000 0.816 203 Q CB 2.132 30.880 28.738 0.016 0.000 1.387 203 Q HN 0.368 nan 8.270 nan 0.000 0.413 204 C N 2.479 121.864 119.300 0.142 0.000 2.379 204 C HA 0.691 5.091 4.460 -0.100 0.000 0.323 204 C C -0.642 174.392 174.990 0.073 0.000 1.262 204 C CA -0.473 58.629 59.018 0.139 0.000 1.581 204 C CB 1.009 28.839 27.740 0.150 0.000 2.221 204 C HN 0.761 nan 8.230 nan 0.000 0.497 205 R N 2.634 123.185 120.500 0.085 0.000 2.628 205 R HA 0.679 4.959 4.340 -0.100 0.000 0.288 205 R C -1.522 174.763 176.300 -0.024 0.000 0.980 205 R CA -0.608 55.478 56.100 -0.024 0.000 0.891 205 R CB 1.746 32.027 30.300 -0.032 0.000 1.188 205 R HN 0.610 nan 8.270 nan 0.000 0.450 206 L N 3.413 124.507 121.223 -0.214 0.000 2.317 206 L HA 0.602 4.882 4.340 -0.100 0.000 0.281 206 L C -1.140 175.515 176.870 -0.358 0.000 1.024 206 L CA -0.590 54.184 54.840 -0.111 0.000 0.810 206 L CB 1.027 43.045 42.059 -0.069 0.000 1.240 206 L HN 0.462 nan 8.230 nan 0.000 0.427 207 F N 1.581 121.545 119.950 0.024 0.000 2.588 207 F HA 0.815 5.283 4.527 -0.097 0.000 0.314 207 F C -0.019 175.801 175.800 0.033 0.000 1.069 207 F CA -0.721 57.291 58.000 0.021 0.000 0.931 207 F CB 2.174 41.182 39.000 0.014 0.000 1.260 207 F HN 0.382 nan 8.300 nan 0.000 0.465 208 A N 1.656 124.607 122.820 0.218 0.000 2.532 208 A HA 0.574 4.834 4.320 -0.100 0.000 0.296 208 A C -0.765 176.894 177.584 0.124 0.000 1.058 208 A CA -1.003 51.130 52.037 0.160 0.000 0.729 208 A CB 0.733 19.811 19.000 0.130 0.000 1.285 208 A HN 0.823 nan 8.150 nan 0.000 0.396 209 N N 0.843 119.606 118.700 0.104 0.000 2.716 209 N HA -0.210 4.470 4.740 -0.100 0.000 0.250 209 N C 1.054 176.583 175.510 0.032 0.000 1.033 209 N CA 2.919 56.004 53.050 0.058 0.000 0.727 209 N CB -1.070 37.456 38.487 0.065 0.000 0.950 209 N HN 2.384 nan 8.380 nan 0.000 0.541 210 G N -1.789 107.042 108.800 0.051 0.000 2.157 210 G HA2 -0.288 3.612 3.960 -0.100 0.000 0.248 210 G HA3 -0.288 3.612 3.960 -0.100 0.000 0.248 210 G C -0.361 174.585 174.900 0.076 0.000 0.979 210 G CA 0.467 45.589 45.100 0.038 0.000 0.650 210 G HN 0.449 nan 8.290 nan 0.000 0.529 211 E N -0.547 119.723 120.200 0.115 0.000 2.238 211 E HA 0.547 4.837 4.350 -0.100 0.000 0.267 211 E C -0.545 176.122 176.600 0.112 0.000 0.887 211 E CA -1.122 55.337 56.400 0.098 0.000 0.769 211 E CB 2.186 31.911 29.700 0.041 0.000 1.187 211 E HN 0.329 nan 8.360 nan 0.000 0.416 212 L N 3.625 124.857 121.223 0.015 0.000 2.283 212 L HA 0.174 4.454 4.340 -0.100 0.000 0.287 212 L C 0.279 177.003 176.870 -0.243 0.000 1.073 212 L CA 0.382 55.028 54.840 -0.324 0.000 0.822 212 L CB -0.111 41.802 42.059 -0.243 0.000 1.186 212 L HN 0.613 nan 8.230 nan 0.000 0.436 213 L N 4.775 125.829 121.223 -0.282 0.000 2.145 213 L HA 0.456 4.736 4.340 -0.100 0.000 0.201 213 L C 0.948 177.739 176.870 -0.133 0.000 1.075 213 L CA 0.716 55.468 54.840 -0.147 0.000 0.773 213 L CB -0.467 41.534 42.059 -0.096 0.000 0.936 213 L HN 0.789 nan 8.230 nan 0.000 0.451 214 A N -1.153 121.558 122.820 -0.182 0.000 2.609 214 A HA 0.726 4.987 4.320 -0.100 0.000 0.291 214 A C -0.994 176.509 177.584 -0.135 0.000 1.096 214 A CA -0.365 51.601 52.037 -0.119 0.000 0.684 214 A CB 1.546 20.504 19.000 -0.069 0.000 1.282 214 A HN -0.055 nan 8.150 nan 0.000 0.412 215 T N 0.849 115.353 114.554 -0.084 0.000 2.916 215 T HA 0.594 4.884 4.350 -0.100 0.000 0.298 215 T C -1.470 173.206 174.700 -0.039 0.000 1.031 215 T CA -0.261 61.800 62.100 -0.065 0.000 0.993 215 T CB 1.330 70.161 68.868 -0.062 0.000 1.045 215 T HN 0.969 nan 8.240 nan 0.000 0.454 216 L N 3.075 124.286 121.223 -0.021 0.000 2.381 216 L HA 0.596 4.877 4.340 -0.100 0.000 0.274 216 L C -1.392 175.463 176.870 -0.025 0.000 0.988 216 L CA -0.320 54.502 54.840 -0.031 0.000 0.824 216 L CB 1.511 43.556 42.059 -0.024 0.000 1.263 216 L HN 0.528 nan 8.230 nan 0.000 0.410 217 D N 5.368 125.739 120.400 -0.049 0.000 2.278 217 D HA 0.467 5.047 4.640 -0.100 0.000 0.245 217 D C -0.732 175.523 176.300 -0.075 0.000 1.052 217 D CA -0.417 53.564 54.000 -0.032 0.000 0.834 217 D CB 1.971 42.752 40.800 -0.032 0.000 1.194 217 D HN 0.281 nan 8.370 nan 0.000 0.481 218 K N 1.816 122.194 120.400 -0.038 0.000 2.507 218 K HA 0.188 4.448 4.320 -0.100 0.000 0.251 218 K C 0.168 176.786 176.600 0.030 0.000 0.943 218 K CA -0.631 55.604 56.287 -0.086 0.000 0.794 218 K CB 2.575 34.927 32.500 -0.247 0.000 1.188 218 K HN 0.211 nan 8.250 nan 0.000 0.428 219 D N 1.451 121.862 120.400 0.017 0.000 2.117 219 D HA -0.100 4.480 4.640 -0.100 0.000 0.197 219 D C 0.393 176.750 176.300 0.095 0.000 0.987 219 D CA 1.163 55.192 54.000 0.047 0.000 0.829 219 D CB 0.373 41.192 40.800 0.031 0.000 0.961 219 D HN 0.569 nan 8.370 nan 0.000 0.460 220 A N 0.932 123.821 122.820 0.115 0.000 2.923 220 A HA 0.232 4.492 4.320 -0.100 0.000 0.306 220 A C -0.381 177.331 177.584 0.214 0.000 1.542 220 A CA -0.483 51.647 52.037 0.155 0.000 1.225 220 A CB -1.021 18.073 19.000 0.157 0.000 1.147 220 A HN 0.033 nan 8.150 nan 0.000 0.542 221 F N 2.996 122.985 119.950 0.066 0.000 2.529 221 F HA 0.358 4.824 4.527 -0.102 0.000 0.365 221 F C 0.268 176.084 175.800 0.026 0.000 1.102 221 F CA 0.839 58.882 58.000 0.070 0.000 1.271 221 F CB 0.645 39.656 39.000 0.018 0.000 1.120 221 F HN 0.341 nan 8.300 nan 0.000 0.579 222 K N 6.068 126.038 120.400 -0.717 0.000 2.482 222 K HA 0.504 4.764 4.320 -0.100 0.000 0.257 222 K C -1.496 174.734 176.600 -0.617 0.000 0.969 222 K CA -0.582 55.302 56.287 -0.672 0.000 0.842 222 K CB 2.528 34.306 32.500 -1.203 0.000 1.359 222 K HN 0.596 nan 8.250 nan 0.000 0.441 223 F N -0.019 119.638 119.950 -0.489 0.000 3.262 223 F HA 0.358 4.823 4.527 -0.102 0.000 0.327 223 F C 1.209 176.929 175.800 -0.133 0.000 1.206 223 F CA -0.927 56.879 58.000 -0.323 0.000 0.930 223 F CB 0.306 39.185 39.000 -0.202 0.000 1.513 223 F HN 0.417 nan 8.300 nan 0.000 0.519 224 I N 0.815 120.967 120.570 -0.697 0.000 2.264 224 I HA -0.272 3.838 4.170 -0.100 0.000 0.248 224 I C 2.103 178.176 176.117 -0.073 0.000 1.111 224 I CA 1.829 62.892 61.300 -0.395 0.000 1.382 224 I CB -0.570 37.159 38.000 -0.453 0.000 1.060 224 I HN 0.556 nan 8.210 nan 0.000 0.418 225 S N -0.191 115.522 115.700 0.022 0.000 2.442 225 S HA -0.177 4.233 4.470 -0.100 0.000 0.236 225 S C 1.350 175.993 174.600 0.073 0.000 1.007 225 S CA 1.197 59.439 58.200 0.070 0.000 0.965 225 S CB -0.372 62.895 63.200 0.111 0.000 0.773 225 S HN 0.454 nan 8.310 nan 0.000 0.504 226 D N 0.907 121.359 120.400 0.086 0.000 2.339 226 D HA 0.283 4.863 4.640 -0.100 0.000 0.217 226 D C 0.297 176.740 176.300 0.237 0.000 1.050 226 D CA 0.120 54.220 54.000 0.167 0.000 0.856 226 D CB 0.164 41.044 40.800 0.134 0.000 0.922 226 D HN 0.472 nan 8.370 nan 0.000 0.518 227 I N 1.439 122.096 120.570 0.145 0.000 2.395 227 I HA 0.031 4.141 4.170 -0.100 0.000 0.289 227 I C 0.459 176.575 176.117 -0.003 0.000 1.023 227 I CA -0.045 61.282 61.300 0.044 0.000 1.350 227 I CB 1.246 39.264 38.000 0.028 0.000 1.409 227 I HN -0.334 nan 8.210 nan 0.000 0.507 228 T N 4.694 119.217 114.554 -0.051 0.000 2.761 228 T HA 0.315 4.605 4.350 -0.100 0.000 0.296 228 T C 0.880 175.558 174.700 -0.036 0.000 0.934 228 T CA 0.271 62.346 62.100 -0.040 0.000 1.091 228 T CB 0.958 69.790 68.868 -0.060 0.000 0.896 228 T HN 1.056 nan 8.240 nan 0.000 0.515 229 G N 2.674 111.462 108.800 -0.021 0.000 2.198 229 G HA2 -0.225 3.675 3.960 -0.100 0.000 0.257 229 G HA3 -0.225 3.675 3.960 -0.100 0.000 0.257 229 G C 0.201 175.091 174.900 -0.016 0.000 1.042 229 G CA -0.283 44.805 45.100 -0.019 0.000 0.791 229 G HN 0.777 nan 8.290 nan 0.000 0.502 230 V N 1.129 121.037 119.914 -0.010 0.000 2.617 230 V HA 0.318 4.378 4.120 -0.100 0.000 0.304 230 V C 1.140 177.228 176.094 -0.011 0.000 1.040 230 V CA 1.320 63.616 62.300 -0.006 0.000 1.149 230 V CB 1.238 33.062 31.823 0.001 0.000 0.914 230 V HN 0.676 nan 8.190 nan 0.000 0.487 231 D N 1.942 122.332 120.400 -0.016 0.000 2.562 231 D HA 0.134 4.714 4.640 -0.100 0.000 0.246 231 D C -0.171 176.114 176.300 -0.025 0.000 1.347 231 D CA -0.287 53.701 54.000 -0.021 0.000 0.800 231 D CB -0.076 40.709 40.800 -0.024 0.000 1.111 231 D HN 0.731 nan 8.370 nan 0.000 0.508 232 N N -1.288 117.396 118.700 -0.027 0.000 2.859 232 N HA 0.471 5.151 4.740 -0.100 0.000 0.250 232 N C -2.068 173.415 175.510 -0.044 0.000 1.341 232 N CA -0.887 52.142 53.050 -0.035 0.000 0.881 232 N CB 1.866 40.325 38.487 -0.047 0.000 1.516 232 N HN -0.179 nan 8.380 nan 0.000 0.503 233 V N 0.629 120.520 119.914 -0.038 0.000 2.482 233 V HA 0.686 4.746 4.120 -0.100 0.000 0.295 233 V C -0.707 175.359 176.094 -0.045 0.000 1.026 233 V CA -0.285 61.980 62.300 -0.058 0.000 0.856 233 V CB 1.318 33.175 31.823 0.056 0.000 1.001 233 V HN 0.887 nan 8.190 nan 0.000 0.424 234 T N 5.641 120.116 114.554 -0.131 0.000 2.900 234 T HA 0.686 4.976 4.350 -0.100 0.000 0.295 234 T C -1.107 173.597 174.700 0.007 0.000 1.044 234 T CA -0.512 61.568 62.100 -0.034 0.000 0.995 234 T CB 2.034 70.869 68.868 -0.055 0.000 1.072 234 T HN 0.237 nan 8.240 nan 0.000 0.473 235 L N 2.021 123.333 121.223 0.147 0.000 2.325 235 L HA 0.683 4.964 4.340 -0.100 0.000 0.278 235 L C 1.157 178.103 176.870 0.126 0.000 1.023 235 L CA 0.619 55.557 54.840 0.163 0.000 0.811 235 L CB 0.918 43.107 42.059 0.217 0.000 1.249 235 L HN 1.015 nan 8.230 nan 0.000 0.431 236 G N 2.082 110.901 108.800 0.032 0.000 2.160 236 G HA2 0.100 4.000 3.960 -0.100 0.000 0.251 236 G HA3 0.100 4.000 3.960 -0.100 0.000 0.251 236 G C 0.355 175.365 174.900 0.183 0.000 1.008 236 G CA 0.417 45.600 45.100 0.137 0.000 0.724 236 G HN 1.381 nan 8.290 nan 0.000 0.514 237 G N -2.781 106.076 108.800 0.096 0.000 2.316 237 G HA2 0.642 4.542 3.960 -0.100 0.000 0.296 237 G HA3 0.642 4.542 3.960 -0.100 0.000 0.296 237 G C -0.966 173.915 174.900 -0.033 0.000 1.399 237 G CA 0.389 45.525 45.100 0.060 0.000 0.833 237 G HN 0.941 nan 8.290 nan 0.000 0.565 238 T N 1.331 115.806 114.554 -0.132 0.000 2.840 238 T HA 0.449 4.739 4.350 -0.100 0.000 0.287 238 T C -0.149 174.375 174.700 -0.294 0.000 0.991 238 T CA -0.593 61.342 62.100 -0.275 0.000 0.964 238 T CB 1.308 69.876 68.868 -0.500 0.000 0.954 238 T HN 0.474 nan 8.240 nan 0.000 0.438 239 K N 3.655 123.927 120.400 -0.213 0.000 2.349 239 K HA 0.333 4.593 4.320 -0.100 0.000 0.289 239 K C 0.059 176.554 176.600 -0.175 0.000 1.064 239 K CA -0.110 56.077 56.287 -0.167 0.000 0.947 239 K CB 0.722 33.158 32.500 -0.108 0.000 1.007 239 K HN 0.352 nan 8.250 nan 0.000 0.478 240 R N 2.806 123.195 120.500 -0.185 0.000 2.451 240 R HA 0.118 4.398 4.340 -0.100 0.000 0.307 240 R C -0.587 175.646 176.300 -0.112 0.000 0.965 240 R CA -0.686 55.324 56.100 -0.151 0.000 0.865 240 R CB 1.539 31.705 30.300 -0.223 0.000 1.174 240 R HN 0.628 nan 8.270 nan 0.000 0.455 241 Q N 0.997 120.751 119.800 -0.077 0.000 2.435 241 Q HA -0.260 4.020 4.340 -0.100 0.000 0.312 241 Q C 0.606 176.567 176.000 -0.065 0.000 1.333 241 Q CA 0.919 56.684 55.803 -0.063 0.000 0.883 241 Q CB -1.250 27.452 28.738 -0.060 0.000 1.170 241 Q HN 1.242 nan 8.270 nan 0.000 0.443 242 G N -0.995 107.765 108.800 -0.067 0.000 2.162 242 G HA2 -0.310 3.590 3.960 -0.100 0.000 0.260 242 G HA3 -0.310 3.590 3.960 -0.100 0.000 0.260 242 G C 0.011 174.870 174.900 -0.068 0.000 0.976 242 G CA 0.782 45.845 45.100 -0.062 0.000 0.655 242 G HN 0.197 nan 8.290 nan 0.000 0.533 243 K N -0.002 120.345 120.400 -0.087 0.000 2.267 243 K HA 0.611 4.872 4.320 -0.100 0.000 0.246 243 K C 0.190 176.719 176.600 -0.118 0.000 0.954 243 K CA -1.161 55.071 56.287 -0.093 0.000 0.824 243 K CB 1.570 34.009 32.500 -0.100 0.000 1.167 243 K HN 0.032 nan 8.250 nan 0.000 0.431 244 I N 2.318 122.828 120.570 -0.100 0.000 2.308 244 I HA 0.147 4.257 4.170 -0.100 0.000 0.293 244 I C 0.598 176.624 176.117 -0.151 0.000 1.078 244 I CA -0.278 60.960 61.300 -0.104 0.000 1.292 244 I CB -0.068 37.905 38.000 -0.045 0.000 1.423 244 I HN 0.525 nan 8.210 nan 0.000 0.493 245 A N 5.708 128.369 122.820 -0.266 0.000 2.269 245 A HA 0.586 4.846 4.320 -0.100 0.000 0.319 245 A C -0.449 176.940 177.584 -0.326 0.000 1.110 245 A CA -0.407 51.367 52.037 -0.439 0.000 0.847 245 A CB 0.211 18.726 19.000 -0.809 0.000 1.161 245 A HN 0.617 nan 8.150 nan 0.000 0.497 246 Y N -2.902 117.342 120.300 -0.093 0.000 3.001 246 Y HA -0.115 4.375 4.550 -0.100 0.000 0.199 246 Y C -2.373 173.539 175.900 0.018 0.000 1.320 246 Y CA 0.192 58.264 58.100 -0.048 0.000 0.974 246 Y CB -2.689 35.721 38.460 -0.083 0.000 1.291 246 Y HN 0.418 nan 8.280 nan 0.000 0.465 247 P HA 0.119 nan 4.420 nan 0.000 0.271 247 P C 0.037 177.445 177.300 0.180 0.000 1.233 247 P CA 0.046 63.221 63.100 0.125 0.000 0.764 247 P CB 0.352 32.086 31.700 0.056 0.000 0.825 248 F N 3.703 123.686 119.950 0.055 0.000 2.399 248 F HA 0.729 5.193 4.527 -0.104 0.000 0.328 248 F C 0.221 176.049 175.800 0.047 0.000 1.084 248 F CA 0.004 58.033 58.000 0.049 0.000 1.053 248 F CB 1.365 40.392 39.000 0.045 0.000 1.209 248 F HN 0.381 nan 8.300 nan 0.000 0.502 249 G N 1.785 110.040 108.800 -0.909 0.000 2.732 249 G HA2 0.602 4.502 3.960 -0.100 0.000 0.295 249 G HA3 0.602 4.502 3.960 -0.100 0.000 0.295 249 G C -0.752 173.467 174.900 -1.134 0.000 1.456 249 G CA -0.168 44.526 45.100 -0.677 0.000 1.050 249 G HN 1.403 nan 8.290 nan 0.000 0.525 250 G N 0.050 108.448 108.800 -0.670 0.000 2.366 250 G HA2 0.466 4.366 3.960 -0.100 0.000 0.190 250 G HA3 0.466 4.366 3.960 -0.100 0.000 0.190 250 G C -0.859 174.099 174.900 0.096 0.000 1.299 250 G CA 0.118 45.002 45.100 -0.360 0.000 1.056 250 G HN 1.116 nan 8.290 nan 0.000 0.468 251 T N 1.201 115.937 114.554 0.304 0.000 2.881 251 T HA 0.572 4.862 4.350 -0.100 0.000 0.290 251 T C -0.554 174.406 174.700 0.435 0.000 1.000 251 T CA -0.391 61.910 62.100 0.337 0.000 0.978 251 T CB 1.537 70.551 68.868 0.245 0.000 0.997 251 T HN 0.520 nan 8.240 nan 0.000 0.443 252 I N 3.575 124.332 120.570 0.313 0.000 2.287 252 I HA 0.254 4.364 4.170 -0.100 0.000 0.290 252 I C 1.614 177.883 176.117 0.254 0.000 1.069 252 I CA -0.089 61.352 61.300 0.236 0.000 1.237 252 I CB 0.373 38.415 38.000 0.069 0.000 1.418 252 I HN 0.927 nan 8.210 nan 0.000 0.481 253 G N 5.369 114.413 108.800 0.407 0.000 2.421 253 G HA2 -0.169 3.731 3.960 -0.100 0.000 0.216 253 G HA3 -0.169 3.731 3.960 -0.100 0.000 0.216 253 G C 0.276 175.207 174.900 0.052 0.000 1.171 253 G CA 0.677 45.898 45.100 0.201 0.000 0.775 253 G HN 0.605 nan 8.290 nan 0.000 0.543 254 D N -2.325 118.116 120.400 0.068 0.000 2.706 254 D HA 0.497 5.077 4.640 -0.100 0.000 0.225 254 D C -1.557 174.762 176.300 0.032 0.000 1.241 254 D CA -0.674 53.340 54.000 0.023 0.000 0.784 254 D CB 1.678 42.473 40.800 -0.009 0.000 1.521 254 D HN 0.051 nan 8.370 nan 0.000 0.461 255 I N 1.915 122.485 120.570 -0.000 0.000 2.607 255 I HA 0.490 4.600 4.170 -0.100 0.000 0.290 255 I C -1.675 174.400 176.117 -0.071 0.000 1.129 255 I CA -0.554 60.726 61.300 -0.033 0.000 1.042 255 I CB 1.369 39.340 38.000 -0.047 0.000 1.242 255 I HN 0.301 nan 8.210 nan 0.000 0.421 256 K N 6.499 126.842 120.400 -0.095 0.000 2.471 256 K HA 0.600 4.860 4.320 -0.100 0.000 0.252 256 K C -1.618 174.855 176.600 -0.212 0.000 0.938 256 K CA -0.714 55.464 56.287 -0.183 0.000 0.796 256 K CB 2.797 35.196 32.500 -0.169 0.000 1.161 256 K HN 0.322 nan 8.250 nan 0.000 0.425 257 V N 4.092 123.839 119.914 -0.278 0.000 2.378 257 V HA 0.364 4.424 4.120 -0.100 0.000 0.288 257 V C -1.117 174.851 176.094 -0.211 0.000 1.016 257 V CA -0.862 61.343 62.300 -0.158 0.000 0.840 257 V CB 0.441 32.214 31.823 -0.084 0.000 0.994 257 V HN 0.593 nan 8.190 nan 0.000 0.431 258 Y N 2.026 122.326 120.300 -0.000 0.000 2.387 258 Y HA 0.333 4.817 4.550 -0.110 0.000 0.336 258 Y C 1.551 177.459 175.900 0.012 0.000 1.067 258 Y CA -0.370 57.728 58.100 -0.003 0.000 1.114 258 Y CB 2.177 40.621 38.460 -0.028 0.000 1.208 258 Y HN 0.677 nan 8.280 nan 0.000 0.458 259 S N 0.192 115.984 115.700 0.154 0.000 2.470 259 S HA -0.042 4.369 4.470 -0.100 0.000 0.225 259 S C 0.369 175.007 174.600 0.063 0.000 1.006 259 S CA 0.029 58.288 58.200 0.099 0.000 0.934 259 S CB -0.472 62.758 63.200 0.050 0.000 0.778 259 S HN 0.753 nan 8.310 nan 0.000 0.517 260 N N 1.905 120.649 118.700 0.073 0.000 2.495 260 N HA 0.454 5.134 4.740 -0.100 0.000 0.280 260 N C -0.821 174.663 175.510 -0.045 0.000 1.168 260 N CA -0.290 52.761 53.050 0.001 0.000 0.978 260 N CB 1.294 39.776 38.487 -0.008 0.000 1.191 260 N HN 0.187 nan 8.380 nan 0.000 0.497 261 A N 2.156 124.924 122.820 -0.087 0.000 2.316 261 A HA 0.385 4.645 4.320 -0.100 0.000 0.311 261 A C 0.659 178.158 177.584 -0.141 0.000 1.339 261 A CA -0.736 51.234 52.037 -0.110 0.000 0.960 261 A CB -0.366 18.567 19.000 -0.112 0.000 1.152 261 A HN 0.662 nan 8.150 nan 0.000 0.547 262 L N 2.163 123.265 121.223 -0.203 0.000 2.464 262 L HA 0.219 4.499 4.340 -0.100 0.000 0.264 262 L C 1.349 178.105 176.870 -0.191 0.000 1.199 262 L CA -0.306 54.383 54.840 -0.251 0.000 0.818 262 L CB 0.749 42.574 42.059 -0.390 0.000 1.102 262 L HN 0.856 nan 8.230 nan 0.000 0.473 263 S N -0.624 114.971 115.700 -0.176 0.000 2.603 263 S HA 0.066 4.476 4.470 -0.100 0.000 0.268 263 S C 0.531 175.032 174.600 -0.165 0.000 1.317 263 S CA -0.781 57.342 58.200 -0.128 0.000 1.012 263 S CB 1.151 64.291 63.200 -0.100 0.000 0.926 263 S HN 0.567 nan 8.310 nan 0.000 0.539 264 D N 1.505 121.863 120.400 -0.069 0.000 2.123 264 D HA -0.100 4.480 4.640 -0.100 0.000 0.196 264 D C 1.769 177.998 176.300 -0.118 0.000 0.992 264 D CA 1.705 55.690 54.000 -0.026 0.000 0.833 264 D CB -0.425 40.492 40.800 0.194 0.000 0.954 264 D HN 0.769 nan 8.370 nan 0.000 0.455 265 E N 1.038 121.192 120.200 -0.076 0.000 2.058 265 E HA -0.157 4.133 4.350 -0.100 0.000 0.194 265 E C 2.030 178.551 176.600 -0.131 0.000 0.997 265 E CA 0.953 57.308 56.400 -0.075 0.000 0.801 265 E CB -0.216 29.451 29.700 -0.055 0.000 0.746 265 E HN 0.433 nan 8.360 nan 0.000 0.450 266 E N 0.292 120.390 120.200 -0.171 0.000 2.110 266 E HA -0.143 4.147 4.350 -0.100 0.000 0.193 266 E C 2.089 178.534 176.600 -0.258 0.000 0.988 266 E CA 0.809 57.093 56.400 -0.195 0.000 0.804 266 E CB -0.120 29.450 29.700 -0.216 0.000 0.745 266 E HN 0.254 nan 8.360 nan 0.000 0.458 267 L N 0.687 121.665 121.223 -0.409 0.000 2.109 267 L HA -0.140 4.140 4.340 -0.100 0.000 0.207 267 L C 2.375 178.991 176.870 -0.423 0.000 1.086 267 L CA 0.297 54.783 54.840 -0.590 0.000 0.760 267 L CB -0.267 41.042 42.059 -1.251 0.000 0.910 267 L HN 0.178 nan 8.230 nan 0.000 0.437 268 I N 0.086 120.485 120.570 -0.284 0.000 2.142 268 I HA -0.309 3.801 4.170 -0.100 0.000 0.240 268 I C 2.614 178.689 176.117 -0.070 0.000 1.078 268 I CA 1.578 62.844 61.300 -0.058 0.000 1.343 268 I CB -0.921 37.082 38.000 0.006 0.000 1.046 268 I HN 0.346 nan 8.210 nan 0.000 0.405 269 Q N 1.118 120.861 119.800 -0.095 0.000 2.030 269 Q HA -0.160 4.120 4.340 -0.100 0.000 0.204 269 Q C 2.266 178.218 176.000 -0.079 0.000 0.986 269 Q CA 2.612 58.367 55.803 -0.080 0.000 0.843 269 Q CB -0.316 28.371 28.738 -0.084 0.000 0.904 269 Q HN 0.455 nan 8.270 nan 0.000 0.420 270 A N -0.410 122.349 122.820 -0.102 0.000 1.877 270 A HA -0.197 4.063 4.320 -0.100 0.000 0.216 270 A C 2.315 179.868 177.584 -0.051 0.000 1.186 270 A CA 2.349 54.339 52.037 -0.079 0.000 0.620 270 A CB -1.347 17.594 19.000 -0.098 0.000 0.822 270 A HN 0.672 nan 8.150 nan 0.000 0.443 271 T N -3.160 111.365 114.554 -0.049 0.000 3.023 271 T HA 0.122 4.412 4.350 -0.100 0.000 0.266 271 T C 1.708 176.407 174.700 -0.002 0.000 1.093 271 T CA 1.231 63.333 62.100 0.003 0.000 1.129 271 T CB -0.521 68.381 68.868 0.056 0.000 0.899 271 T HN 0.414 nan 8.240 nan 0.000 0.491 272 G N 0.968 109.752 108.800 -0.026 0.000 2.625 272 G HA2 0.020 3.920 3.960 -0.100 0.000 0.214 272 G HA3 0.020 3.920 3.960 -0.100 0.000 0.214 272 G C 1.386 176.244 174.900 -0.071 0.000 1.132 272 G CA 0.414 45.487 45.100 -0.045 0.000 0.782 272 G HN 0.490 nan 8.290 nan 0.000 0.538 273 V N 1.121 120.998 119.914 -0.062 0.000 2.720 273 V HA -0.038 4.022 4.120 -0.100 0.000 0.256 273 V C 1.604 177.636 176.094 -0.104 0.000 1.082 273 V CA 1.820 64.076 62.300 -0.073 0.000 1.101 273 V CB -0.843 30.947 31.823 -0.055 0.000 0.693 273 V HN 0.554 nan 8.190 nan 0.000 0.479 274 T N -0.587 113.902 114.554 -0.109 0.000 2.833 274 T HA 0.606 4.897 4.350 -0.100 0.000 0.297 274 T C -0.389 174.115 174.700 -0.326 0.000 1.015 274 T CA -0.316 61.665 62.100 -0.198 0.000 0.963 274 T CB 1.399 70.268 68.868 0.001 0.000 0.955 274 T HN 0.339 nan 8.240 nan 0.000 0.449 275 T N 0.651 114.839 114.554 -0.609 0.000 2.909 275 T HA 0.707 4.997 4.350 -0.100 0.000 0.299 275 T C -1.544 172.576 174.700 -0.967 0.000 1.073 275 T CA -0.846 60.934 62.100 -0.534 0.000 0.999 275 T CB 1.362 70.070 68.868 -0.266 0.000 1.098 275 T HN 0.546 nan 8.240 nan 0.000 0.477 276 Y N 0.432 120.596 120.300 -0.227 0.000 2.406 276 Y HA 0.663 5.151 4.550 -0.104 0.000 0.340 276 Y C 0.971 176.681 175.900 -0.316 0.000 0.975 276 Y CA 0.095 57.903 58.100 -0.487 0.000 1.056 276 Y CB 2.006 39.976 38.460 -0.816 0.000 1.210 276 Y HN 1.452 nan 8.280 nan 0.000 0.448 277 G N 2.345 111.074 108.800 -0.118 0.000 2.782 277 G HA2 -0.017 3.884 3.960 -0.100 0.000 0.228 277 G HA3 -0.017 3.884 3.960 -0.100 0.000 0.228 277 G C -0.738 174.185 174.900 0.039 0.000 1.372 277 G CA -0.061 45.065 45.100 0.043 0.000 0.862 277 G HN 0.971 nan 8.290 nan 0.000 0.547 278 E N -1.256 119.011 120.200 0.112 0.000 2.433 278 E HA 0.660 4.950 4.350 -0.100 0.000 0.273 278 E C -0.464 176.176 176.600 0.065 0.000 0.950 278 E CA -1.049 55.410 56.400 0.098 0.000 0.796 278 E CB 1.242 31.050 29.700 0.180 0.000 1.330 278 E HN 0.688 nan 8.360 nan 0.000 0.455 279 N N 0.314 119.003 118.700 -0.017 0.000 2.456 279 N HA 0.373 5.053 4.740 -0.100 0.000 0.296 279 N C 0.025 175.399 175.510 -0.226 0.000 1.102 279 N CA -0.501 52.496 53.050 -0.088 0.000 0.924 279 N CB 1.698 40.158 38.487 -0.044 0.000 1.186 279 N HN 0.429 nan 8.380 nan 0.000 0.492 280 I N 0.018 120.305 120.570 -0.470 0.000 2.900 280 I HA 0.173 4.283 4.170 -0.100 0.000 0.251 280 I C -0.272 175.352 176.117 -0.821 0.000 1.102 280 I CA 0.486 61.230 61.300 -0.927 0.000 1.457 280 I CB 0.223 37.289 38.000 -1.557 0.000 1.285 280 I HN 0.328 nan 8.210 nan 0.000 0.459 281 F N 0.967 120.618 119.950 -0.499 0.000 2.425 281 F HA 0.473 4.940 4.527 -0.099 0.000 0.331 281 F C -0.395 175.054 175.800 -0.584 0.000 1.085 281 F CA -0.910 56.615 58.000 -0.791 0.000 1.028 281 F CB 1.035 39.106 39.000 -1.547 0.000 1.177 281 F HN -0.017 nan 8.300 nan 0.000 0.487 282 Y N -0.486 119.658 120.300 -0.260 0.000 2.624 282 Y HA 0.758 5.251 4.550 -0.094 0.000 0.334 282 Y C -1.062 174.982 175.900 0.241 0.000 1.155 282 Y CA -2.512 55.602 58.100 0.023 0.000 1.046 282 Y CB 0.580 39.022 38.460 -0.031 0.000 1.316 282 Y HN 0.800 nan 8.280 nan 0.000 0.457 283 A N 1.611 124.634 122.820 0.337 0.000 2.484 283 A HA 0.491 4.751 4.320 -0.100 0.000 0.268 283 A C 1.271 178.965 177.584 0.184 0.000 1.114 283 A CA 0.998 53.120 52.037 0.142 0.000 0.780 283 A CB -1.375 17.628 19.000 0.005 0.000 1.061 283 A HN 2.248 nan 8.150 nan 0.000 0.505 284 G N 2.580 111.408 108.800 0.046 0.000 2.336 284 G HA2 -0.167 3.733 3.960 -0.100 0.000 0.194 284 G HA3 -0.167 3.733 3.960 -0.100 0.000 0.194 284 G C -0.008 174.857 174.900 -0.058 0.000 0.999 284 G CA 0.293 45.446 45.100 0.087 0.000 0.669 284 G HN 1.108 nan 8.290 nan 0.000 0.482 285 D N 0.840 120.966 120.400 -0.456 0.000 2.393 285 D HA 0.365 4.945 4.640 -0.100 0.000 0.246 285 D C 2.018 178.248 176.300 -0.116 0.000 1.275 285 D CA 0.451 54.167 54.000 -0.474 0.000 0.979 285 D CB 0.247 40.533 40.800 -0.857 0.000 1.101 285 D HN 0.838 nan 8.370 nan 0.000 0.505 286 V N -2.707 117.182 119.914 -0.043 0.000 3.383 286 V HA -0.139 3.921 4.120 -0.100 0.000 0.272 286 V C 1.805 177.952 176.094 0.089 0.000 1.181 286 V CA 1.810 64.134 62.300 0.039 0.000 1.171 286 V CB -1.954 29.902 31.823 0.056 0.000 0.800 286 V HN 0.764 nan 8.190 nan 0.000 0.515 287 T N -2.510 112.109 114.554 0.110 0.000 2.951 287 T HA -0.081 4.209 4.350 -0.100 0.000 0.268 287 T C 1.060 175.906 174.700 0.243 0.000 1.073 287 T CA 0.998 63.210 62.100 0.187 0.000 1.134 287 T CB -0.411 68.598 68.868 0.235 0.000 0.884 287 T HN 0.660 nan 8.240 nan 0.000 0.479 288 E N 0.061 120.362 120.200 0.170 0.000 3.413 288 E HA -0.153 4.138 4.350 -0.100 0.000 0.300 288 E C -0.086 176.657 176.600 0.238 0.000 0.891 288 E CA 0.807 57.328 56.400 0.201 0.000 1.050 288 E CB -2.079 27.762 29.700 0.234 0.000 1.534 288 E HN 0.612 nan 8.360 nan 0.000 0.436 289 S N -0.524 115.143 115.700 -0.056 0.000 2.475 289 S HA 0.407 4.817 4.470 -0.100 0.000 0.298 289 S C 0.798 175.094 174.600 -0.507 0.000 1.119 289 S CA -0.410 57.458 58.200 -0.553 0.000 1.085 289 S CB 1.005 63.405 63.200 -1.332 0.000 1.028 289 S HN 0.261 nan 8.310 nan 0.000 0.489 290 N N 1.848 120.224 118.700 -0.539 0.000 2.424 290 N HA 0.118 4.798 4.740 -0.100 0.000 0.178 290 N C -0.929 173.910 175.510 -1.118 0.000 1.060 290 N CA 0.469 53.074 53.050 -0.743 0.000 0.901 290 N CB 0.290 38.252 38.487 -0.874 0.000 0.979 290 N HN 0.562 nan 8.380 nan 0.000 0.451 291 Y N -0.850 119.083 120.300 -0.611 0.000 2.536 291 Y HA 0.503 4.993 4.550 -0.100 0.000 0.347 291 Y C -0.915 174.363 175.900 -1.036 0.000 1.000 291 Y CA -1.012 56.745 58.100 -0.572 0.000 1.051 291 Y CB 1.100 39.346 38.460 -0.357 0.000 1.259 291 Y HN -0.232 nan 8.280 nan 0.000 0.468 292 F N 1.130 121.062 119.950 -0.029 0.000 2.601 292 F HA 0.769 5.236 4.527 -0.100 0.000 0.309 292 F C -0.203 175.570 175.800 -0.045 0.000 1.089 292 F CA -1.101 56.842 58.000 -0.096 0.000 0.940 292 F CB 2.168 41.104 39.000 -0.106 0.000 1.273 292 F HN 0.272 nan 8.300 nan 0.000 0.450 293 R N 1.336 121.903 120.500 0.112 0.000 2.733 293 R HA 0.536 4.816 4.340 -0.100 0.000 0.272 293 R C -1.421 174.914 176.300 0.058 0.000 1.029 293 R CA -0.914 55.228 56.100 0.070 0.000 0.888 293 R CB 2.223 32.516 30.300 -0.012 0.000 1.251 293 R HN 0.664 nan 8.270 nan 0.000 0.464 294 I N 0.071 120.677 120.570 0.060 0.000 7.356 294 I HA -0.155 3.955 4.170 -0.100 0.000 0.126 294 I C -2.307 173.916 176.117 0.177 0.000 1.829 294 I CA -0.186 61.208 61.300 0.157 0.000 2.068 294 I CB -2.087 35.989 38.000 0.127 0.000 3.620 294 I HN 0.410 nan 8.210 nan 0.000 0.179 295 P HA 0.290 nan 4.420 nan 0.000 0.275 295 P C -0.065 177.360 177.300 0.208 0.000 1.228 295 P CA 0.001 63.217 63.100 0.193 0.000 0.786 295 P CB 1.976 33.800 31.700 0.206 0.000 0.927 296 S N 2.239 118.059 115.700 0.201 0.000 2.571 296 S HA 0.652 5.062 4.470 -0.100 0.000 0.284 296 S C -1.537 173.194 174.600 0.218 0.000 1.128 296 S CA -0.601 57.731 58.200 0.220 0.000 0.970 296 S CB 0.394 63.733 63.200 0.232 0.000 1.039 296 S HN 0.367 nan 8.310 nan 0.000 0.485 297 L N 4.813 126.176 121.223 0.234 0.000 2.464 297 L HA 0.893 5.173 4.340 -0.100 0.000 0.266 297 L C -2.031 174.996 176.870 0.263 0.000 0.965 297 L CA -0.487 54.496 54.840 0.238 0.000 0.833 297 L CB 1.884 44.098 42.059 0.259 0.000 1.296 297 L HN 0.721 nan 8.230 nan 0.000 0.405 298 L N 3.269 124.653 121.223 0.269 0.000 2.526 298 L HA 0.647 4.927 4.340 -0.100 0.000 0.263 298 L C -0.955 176.053 176.870 0.231 0.000 0.943 298 L CA 0.151 55.145 54.840 0.256 0.000 0.859 298 L CB 2.559 44.784 42.059 0.276 0.000 1.313 298 L HN 0.637 nan 8.230 nan 0.000 0.406 299 T N 5.472 120.146 114.554 0.200 0.000 2.771 299 T HA 0.552 4.842 4.350 -0.100 0.000 0.291 299 T C 0.156 174.940 174.700 0.140 0.000 0.954 299 T CA -0.280 61.914 62.100 0.156 0.000 1.045 299 T CB 0.418 69.368 68.868 0.137 0.000 0.917 299 T HN 0.427 nan 8.240 nan 0.000 0.484 300 L N 2.364 123.660 121.223 0.121 0.000 2.439 300 L HA 0.241 4.521 4.340 -0.100 0.000 0.261 300 L C 2.040 178.958 176.870 0.079 0.000 1.153 300 L CA -0.615 54.292 54.840 0.111 0.000 0.808 300 L CB 0.760 42.882 42.059 0.103 0.000 1.126 300 L HN 0.796 nan 8.230 nan 0.000 0.460 301 S N -1.589 114.156 115.700 0.075 0.000 2.465 301 S HA -0.170 4.240 4.470 -0.100 0.000 0.241 301 S C 1.550 176.171 174.600 0.035 0.000 1.000 301 S CA 1.268 59.500 58.200 0.053 0.000 0.964 301 S CB -0.739 62.493 63.200 0.054 0.000 0.763 301 S HN 0.898 nan 8.310 nan 0.000 0.512 302 T N -2.891 111.682 114.554 0.033 0.000 3.088 302 T HA 0.459 4.749 4.350 -0.100 0.000 0.259 302 T C 1.697 176.404 174.700 0.010 0.000 1.122 302 T CA 0.862 62.973 62.100 0.017 0.000 1.095 302 T CB -0.317 68.559 68.868 0.013 0.000 0.930 302 T HN 1.123 nan 8.240 nan 0.000 0.508 303 G N 0.536 109.347 108.800 0.018 0.000 2.213 303 G HA2 -0.209 3.691 3.960 -0.100 0.000 0.226 303 G HA3 -0.209 3.691 3.960 -0.100 0.000 0.226 303 G C 0.245 175.141 174.900 -0.007 0.000 0.992 303 G CA -0.041 45.063 45.100 0.007 0.000 0.632 303 G HN 0.696 nan 8.290 nan 0.000 0.511 304 T N 1.419 115.971 114.554 -0.004 0.000 2.919 304 T HA 0.481 4.771 4.350 -0.100 0.000 0.302 304 T C 0.386 175.086 174.700 0.000 0.000 1.031 304 T CA 0.254 62.339 62.100 -0.026 0.000 1.127 304 T CB 2.197 71.064 68.868 -0.001 0.000 0.952 304 T HN 0.589 nan 8.240 nan 0.000 0.540 305 V N 5.287 125.163 119.914 -0.063 0.000 2.398 305 V HA 0.539 4.599 4.120 -0.100 0.000 0.286 305 V C 0.287 176.431 176.094 0.084 0.000 1.026 305 V CA -0.896 61.419 62.300 0.024 0.000 0.868 305 V CB 0.849 32.664 31.823 -0.012 0.000 0.982 305 V HN 0.800 nan 8.190 nan 0.000 0.443 306 I N 2.366 123.061 120.570 0.208 0.000 2.797 306 I HA 1.016 5.126 4.170 -0.100 0.000 0.307 306 I C -0.052 176.200 176.117 0.226 0.000 1.033 306 I CA -0.436 60.982 61.300 0.197 0.000 1.071 306 I CB 2.452 40.647 38.000 0.324 0.000 1.255 306 I HN 0.657 nan 8.210 nan 0.000 0.445 307 S N 2.625 118.361 115.700 0.060 0.000 2.579 307 S HA 0.965 5.375 4.470 -0.100 0.000 0.272 307 S C -0.835 173.903 174.600 0.231 0.000 1.141 307 S CA -0.460 57.794 58.200 0.091 0.000 0.843 307 S CB 1.727 64.801 63.200 -0.210 0.000 1.122 307 S HN 1.421 nan 8.310 nan 0.000 0.468 308 A N 0.357 123.360 122.820 0.306 0.000 2.594 308 A HA 1.067 5.328 4.320 -0.100 0.000 0.291 308 A C -0.713 176.908 177.584 0.061 0.000 1.105 308 A CA -0.536 51.654 52.037 0.255 0.000 0.694 308 A CB 1.072 20.239 19.000 0.277 0.000 1.291 308 A HN 2.413 nan 8.150 nan 0.000 0.410 309 A N 0.422 123.125 122.820 -0.196 0.000 2.583 309 A HA 0.618 4.878 4.320 -0.100 0.000 0.292 309 A C -1.848 175.634 177.584 -0.171 0.000 1.045 309 A CA -0.662 51.265 52.037 -0.184 0.000 0.672 309 A CB 0.629 19.452 19.000 -0.296 0.000 1.283 309 A HN 0.718 nan 8.150 nan 0.000 0.419 310 D N 1.315 121.682 120.400 -0.055 0.000 2.425 310 D HA 0.461 5.042 4.640 -0.100 0.000 0.247 310 D C 0.365 176.612 176.300 -0.089 0.000 1.147 310 D CA 1.233 55.200 54.000 -0.054 0.000 0.879 310 D CB 1.235 42.010 40.800 -0.040 0.000 1.179 310 D HN 0.837 nan 8.370 nan 0.000 0.456 311 A N 4.202 126.922 122.820 -0.167 0.000 2.444 311 A HA 0.308 4.568 4.320 -0.100 0.000 0.332 311 A C 0.071 177.311 177.584 -0.574 0.000 1.430 311 A CA -0.695 51.066 52.037 -0.460 0.000 0.975 311 A CB 0.170 18.971 19.000 -0.333 0.000 1.147 311 A HN 0.410 nan 8.150 nan 0.000 0.524 312 R N 2.630 122.803 120.500 -0.545 0.000 2.235 312 R HA 0.260 4.540 4.340 -0.100 0.000 0.338 312 R C -0.427 175.673 176.300 -0.334 0.000 1.087 312 R CA -0.104 55.796 56.100 -0.333 0.000 0.948 312 R CB 0.317 30.478 30.300 -0.231 0.000 1.099 312 R HN 0.813 nan 8.270 nan 0.000 0.483 313 Y N 0.875 121.100 120.300 -0.125 0.000 2.184 313 Y HA -0.020 4.471 4.550 -0.099 0.000 0.290 313 Y C 2.154 178.032 175.900 -0.037 0.000 1.129 313 Y CA 0.974 59.067 58.100 -0.012 0.000 1.144 313 Y CB 0.136 38.634 38.460 0.064 0.000 0.995 313 Y HN 0.614 nan 8.280 nan 0.000 0.513 314 G N 0.301 108.952 108.800 -0.248 0.000 3.636 314 G HA2 0.453 4.353 3.960 -0.100 0.000 0.260 314 G HA3 0.453 4.353 3.960 -0.100 0.000 0.260 314 G C 0.515 174.464 174.900 -1.585 0.000 1.014 314 G CA 0.247 44.721 45.100 -1.044 0.000 1.797 314 G HN 0.625 nan 8.290 nan 0.000 0.637 315 G N 0.894 108.976 108.800 -1.197 0.000 2.741 315 G HA2 -0.086 3.814 3.960 -0.100 0.000 0.222 315 G HA3 -0.086 3.814 3.960 -0.100 0.000 0.222 315 G C 0.886 175.273 174.900 -0.855 0.000 1.364 315 G CA 0.299 44.550 45.100 -1.414 0.000 0.866 315 G HN 1.272 nan 8.290 nan 0.000 0.555 316 T N -2.400 111.820 114.554 -0.556 0.000 3.272 316 T HA 0.321 4.611 4.350 -0.100 0.000 0.250 316 T C 0.821 175.344 174.700 -0.296 0.000 1.082 316 T CA 0.838 62.717 62.100 -0.368 0.000 0.968 316 T CB -0.393 68.317 68.868 -0.264 0.000 1.015 316 T HN 0.767 nan 8.240 nan 0.000 0.563 317 H N 1.854 120.783 119.070 -0.236 0.000 2.815 317 H HA 0.233 4.729 4.556 -0.099 0.000 0.350 317 H C 0.254 175.469 175.328 -0.189 0.000 1.080 317 H CA -0.475 55.454 56.048 -0.199 0.000 1.433 317 H CB 0.477 30.108 29.762 -0.218 0.000 1.432 317 H HN 0.256 nan 8.280 nan 0.000 0.592 318 D N 0.787 121.179 120.400 -0.014 0.000 2.384 318 D HA 0.005 4.585 4.640 -0.100 0.000 0.244 318 D C 0.301 176.548 176.300 -0.088 0.000 1.251 318 D CA -0.184 53.777 54.000 -0.064 0.000 0.961 318 D CB 0.565 41.325 40.800 -0.067 0.000 1.116 318 D HN 0.430 nan 8.370 nan 0.000 0.484 319 S N -0.033 115.607 115.700 -0.100 0.000 2.554 319 S HA -0.032 4.378 4.470 -0.100 0.000 0.290 319 S C 0.499 175.011 174.600 -0.147 0.000 1.309 319 S CA 0.695 58.821 58.200 -0.123 0.000 1.047 319 S CB 0.069 63.199 63.200 -0.116 0.000 0.828 319 S HN 0.567 nan 8.310 nan 0.000 0.509 320 K N 0.829 121.126 120.400 -0.172 0.000 3.084 320 K HA -0.059 4.201 4.320 -0.100 0.000 0.629 320 K C -0.839 175.627 176.600 -0.224 0.000 1.111 320 K CA 0.598 56.767 56.287 -0.197 0.000 0.969 320 K CB -1.377 31.017 32.500 -0.176 0.000 2.095 320 K HN 0.630 nan 8.250 nan 0.000 0.385 321 S N 0.864 116.411 115.700 -0.254 0.000 2.654 321 S HA 0.406 4.816 4.470 -0.100 0.000 0.267 321 S C -2.269 172.146 174.600 -0.308 0.000 1.151 321 S CA -0.873 57.152 58.200 -0.290 0.000 0.873 321 S CB 1.152 64.215 63.200 -0.229 0.000 1.181 321 S HN 0.337 nan 8.310 nan 0.000 0.489 322 K N 2.295 122.520 120.400 -0.291 0.000 2.367 322 K HA 0.625 4.885 4.320 -0.100 0.000 0.263 322 K C -1.546 175.079 176.600 0.042 0.000 1.000 322 K CA -0.343 55.830 56.287 -0.191 0.000 0.891 322 K CB -0.217 32.109 32.500 -0.290 0.000 1.117 322 K HN 0.634 nan 8.250 nan 0.000 0.443 323 I N 3.134 123.759 120.570 0.091 0.000 2.619 323 I HA 0.329 4.439 4.170 -0.100 0.000 0.292 323 I C -0.446 175.807 176.117 0.226 0.000 1.100 323 I CA -0.959 60.437 61.300 0.159 0.000 1.043 323 I CB 2.288 40.307 38.000 0.032 0.000 1.239 323 I HN 0.421 nan 8.210 nan 0.000 0.420 324 N N 4.727 123.589 118.700 0.270 0.000 2.453 324 N HA 0.585 5.265 4.740 -0.100 0.000 0.290 324 N C -1.137 174.411 175.510 0.062 0.000 1.250 324 N CA -0.587 52.587 53.050 0.207 0.000 0.815 324 N CB 2.242 40.894 38.487 0.275 0.000 1.381 324 N HN 0.296 nan 8.380 nan 0.000 0.510 325 I N 1.051 121.591 120.570 -0.049 0.000 2.339 325 I HA 0.433 4.543 4.170 -0.100 0.000 0.290 325 I C 0.352 176.403 176.117 -0.110 0.000 0.994 325 I CA -0.900 60.336 61.300 -0.107 0.000 1.191 325 I CB 0.467 38.359 38.000 -0.181 0.000 1.343 325 I HN 0.436 nan 8.210 nan 0.000 0.458 326 A N 6.769 129.502 122.820 -0.144 0.000 2.295 326 A HA 0.774 5.034 4.320 -0.100 0.000 0.318 326 A C -1.126 176.487 177.584 0.048 0.000 1.134 326 A CA -0.317 51.645 52.037 -0.125 0.000 0.827 326 A CB 1.083 19.833 19.000 -0.416 0.000 1.136 326 A HN 0.568 nan 8.150 nan 0.000 0.493 327 F N 0.487 120.540 119.950 0.171 0.000 2.591 327 F HA 0.694 5.162 4.527 -0.098 0.000 0.309 327 F C -0.282 175.763 175.800 0.409 0.000 1.098 327 F CA 0.015 58.206 58.000 0.317 0.000 0.937 327 F CB 1.795 40.911 39.000 0.193 0.000 1.250 327 F HN 0.951 nan 8.300 nan 0.000 0.447 328 A N 4.873 127.414 122.820 -0.464 0.000 2.606 328 A HA 0.773 5.033 4.320 -0.100 0.000 0.293 328 A C -1.839 175.481 177.584 -0.440 0.000 1.082 328 A CA -0.865 50.938 52.037 -0.390 0.000 0.685 328 A CB 1.999 20.769 19.000 -0.384 0.000 1.284 328 A HN 0.871 nan 8.150 nan 0.000 0.408 329 K N -0.464 119.858 120.400 -0.130 0.000 2.482 329 K HA 0.827 5.087 4.320 -0.100 0.000 0.257 329 K C -0.975 175.477 176.600 -0.247 0.000 0.969 329 K CA -0.529 55.709 56.287 -0.082 0.000 0.842 329 K CB 2.129 34.571 32.500 -0.097 0.000 1.359 329 K HN 0.711 nan 8.250 nan 0.000 0.441 330 S N 0.135 115.471 115.700 -0.606 0.000 2.532 330 S HA 0.303 4.713 4.470 -0.100 0.000 0.299 330 S C -0.042 174.288 174.600 -0.450 0.000 1.105 330 S CA -0.435 57.258 58.200 -0.844 0.000 1.018 330 S CB 1.279 63.433 63.200 -1.744 0.000 1.021 330 S HN 0.725 nan 8.310 nan 0.000 0.483 331 T N -0.012 114.353 114.554 -0.315 0.000 3.129 331 T HA 0.246 4.536 4.350 -0.100 0.000 0.267 331 T C -0.112 174.488 174.700 -0.166 0.000 1.018 331 T CA -0.106 61.881 62.100 -0.187 0.000 0.903 331 T CB -0.312 68.483 68.868 -0.121 0.000 1.067 331 T HN 0.618 nan 8.240 nan 0.000 0.549 332 D N 0.343 120.611 120.400 -0.220 0.000 2.891 332 D HA 0.350 4.930 4.640 -0.100 0.000 0.332 332 D C 1.222 177.436 176.300 -0.142 0.000 1.369 332 D CA -0.545 53.363 54.000 -0.154 0.000 0.827 332 D CB -0.254 40.464 40.800 -0.136 0.000 1.141 332 D HN 0.315 nan 8.370 nan 0.000 0.464 333 G N -0.125 108.591 108.800 -0.140 0.000 2.198 333 G HA2 -0.020 3.880 3.960 -0.100 0.000 0.260 333 G HA3 -0.020 3.880 3.960 -0.100 0.000 0.260 333 G C 1.138 176.012 174.900 -0.044 0.000 1.025 333 G CA 0.344 45.403 45.100 -0.067 0.000 0.769 333 G HN 1.505 nan 8.290 nan 0.000 0.507 334 G N -1.343 107.302 108.800 -0.258 0.000 2.132 334 G HA2 -0.306 3.594 3.960 -0.100 0.000 0.234 334 G HA3 -0.306 3.594 3.960 -0.100 0.000 0.234 334 G C 0.947 175.846 174.900 -0.002 0.000 0.989 334 G CA 0.958 45.918 45.100 -0.234 0.000 0.676 334 G HN 0.719 nan 8.290 nan 0.000 0.522 335 N N 0.064 118.689 118.700 -0.125 0.000 2.251 335 N HA 0.051 4.731 4.740 -0.100 0.000 0.181 335 N C 1.316 176.801 175.510 -0.041 0.000 1.019 335 N CA 1.824 54.874 53.050 0.000 0.000 0.862 335 N CB 0.094 38.567 38.487 -0.023 0.000 0.992 335 N HN 0.844 nan 8.380 nan 0.000 0.429 336 T N -2.523 111.875 114.554 -0.261 0.000 2.906 336 T HA 0.593 4.883 4.350 -0.100 0.000 0.295 336 T C -1.334 173.068 174.700 -0.497 0.000 1.061 336 T CA -0.830 61.159 62.100 -0.184 0.000 1.000 336 T CB 1.583 70.392 68.868 -0.098 0.000 1.103 336 T HN 0.035 nan 8.240 nan 0.000 0.486 337 W N 1.217 122.431 121.300 -0.143 0.000 2.781 337 W HA 0.636 5.234 4.660 -0.103 0.000 0.345 337 W C 0.662 177.091 176.519 -0.149 0.000 1.085 337 W CA -0.732 56.494 57.345 -0.199 0.000 1.198 337 W CB 1.781 31.050 29.460 -0.319 0.000 1.423 337 W HN 0.999 nan 8.180 nan 0.000 0.532 338 S N -0.116 115.617 115.700 0.055 0.000 2.608 338 S HA 0.164 4.574 4.470 -0.100 0.000 0.261 338 S C 0.066 174.693 174.600 0.045 0.000 1.314 338 S CA -0.668 57.551 58.200 0.033 0.000 0.992 338 S CB 0.802 64.018 63.200 0.028 0.000 0.935 338 S HN 0.554 nan 8.310 nan 0.000 0.564 339 E N 2.290 122.524 120.200 0.056 0.000 2.366 339 E HA 0.162 4.452 4.350 -0.100 0.000 0.266 339 E C -1.949 174.702 176.600 0.085 0.000 1.015 339 E CA -1.788 54.650 56.400 0.063 0.000 0.906 339 E CB 0.311 30.054 29.700 0.071 0.000 0.979 339 E HN 0.464 nan 8.360 nan 0.000 0.443 340 P HA -0.008 nan 4.420 nan 0.000 0.272 340 P C -0.652 176.778 177.300 0.216 0.000 1.223 340 P CA -0.162 63.048 63.100 0.184 0.000 0.784 340 P CB 1.050 32.912 31.700 0.270 0.000 0.923 341 T N -0.814 113.916 114.554 0.293 0.000 2.927 341 T HA 0.554 4.844 4.350 -0.100 0.000 0.286 341 T C -0.338 174.476 174.700 0.190 0.000 1.040 341 T CA -0.820 61.428 62.100 0.246 0.000 1.010 341 T CB 0.850 69.904 68.868 0.310 0.000 1.177 341 T HN 0.091 nan 8.240 nan 0.000 0.546 342 L N 2.050 123.328 121.223 0.091 0.000 2.495 342 L HA 0.426 4.706 4.340 -0.100 0.000 0.248 342 L C -1.975 174.806 176.870 -0.147 0.000 1.229 342 L CA -2.441 52.399 54.840 0.001 0.000 0.942 342 L CB 0.784 42.871 42.059 0.046 0.000 1.242 342 L HN 0.489 nan 8.230 nan 0.000 0.484 343 P HA -0.064 nan 4.420 nan 0.000 0.220 343 P C -0.009 176.919 177.300 -0.620 0.000 1.148 343 P CA 0.874 63.584 63.100 -0.650 0.000 0.803 343 P CB 0.379 31.288 31.700 -1.318 0.000 0.782 344 L N 0.185 121.044 121.223 -0.607 0.000 2.372 344 L HA 0.411 4.691 4.340 -0.100 0.000 0.273 344 L C 0.042 176.531 176.870 -0.634 0.000 0.989 344 L CA -0.736 53.553 54.840 -0.917 0.000 0.841 344 L CB 0.960 42.264 42.059 -1.259 0.000 1.225 344 L HN -0.001 nan 8.230 nan 0.000 0.414 345 K N 1.777 121.920 120.400 -0.428 0.000 2.575 345 K HA 0.729 4.989 4.320 -0.100 0.000 0.279 345 K C -1.700 174.854 176.600 -0.076 0.000 0.969 345 K CA -0.763 55.470 56.287 -0.090 0.000 0.868 345 K CB 2.009 34.498 32.500 -0.018 0.000 1.457 345 K HN 0.004 nan 8.250 nan 0.000 0.426 346 F N 0.564 120.668 119.950 0.258 0.000 2.561 346 F HA 0.363 4.830 4.527 -0.100 0.000 0.321 346 F C 0.161 176.048 175.800 0.145 0.000 1.065 346 F CA -0.924 57.238 58.000 0.270 0.000 0.934 346 F CB 2.091 41.233 39.000 0.237 0.000 1.215 346 F HN 0.644 nan 8.300 nan 0.000 0.471 347 D N 0.090 120.737 120.400 0.412 0.000 2.469 347 D HA 0.000 4.580 4.640 -0.100 0.000 0.215 347 D C 1.099 177.363 176.300 -0.061 0.000 1.154 347 D CA 0.337 54.436 54.000 0.165 0.000 0.832 347 D CB 0.201 41.126 40.800 0.208 0.000 1.008 347 D HN 0.550 nan 8.370 nan 0.000 0.506 348 D N -0.136 119.982 120.400 -0.470 0.000 2.178 348 D HA -0.203 4.377 4.640 -0.100 0.000 0.201 348 D C 0.228 176.484 176.300 -0.074 0.000 0.980 348 D CA 0.885 54.504 54.000 -0.635 0.000 0.842 348 D CB -0.165 39.902 40.800 -1.222 0.000 0.948 348 D HN 0.176 nan 8.370 nan 0.000 0.472 349 Y N 0.042 120.234 120.300 -0.181 0.000 2.409 349 Y HA 0.388 4.878 4.550 -0.100 0.000 0.343 349 Y C 0.345 176.263 175.900 0.029 0.000 0.973 349 Y CA -1.622 56.478 58.100 -0.000 0.000 1.064 349 Y CB 1.696 40.140 38.460 -0.026 0.000 1.207 349 Y HN -0.177 nan 8.280 nan 0.000 0.452 350 I N 2.993 123.665 120.570 0.171 0.000 2.692 350 I HA 0.300 4.410 4.170 -0.100 0.000 0.284 350 I C -0.011 176.122 176.117 0.027 0.000 1.159 350 I CA -0.118 61.216 61.300 0.056 0.000 1.423 350 I CB 0.531 38.514 38.000 -0.028 0.000 1.380 350 I HN 0.785 nan 8.210 nan 0.000 0.580 351 A N 8.275 131.014 122.820 -0.136 0.000 2.269 351 A HA 0.524 4.784 4.320 -0.100 0.000 0.302 351 A C -0.549 176.998 177.584 -0.061 0.000 1.266 351 A CA -0.413 51.382 52.037 -0.403 0.000 0.894 351 A CB 0.210 18.951 19.000 -0.431 0.000 1.147 351 A HN 0.740 nan 8.150 nan 0.000 0.537 352 K N 2.107 122.574 120.400 0.112 0.000 2.556 352 K HA 0.350 4.610 4.320 -0.100 0.000 0.274 352 K C -1.402 175.359 176.600 0.268 0.000 0.966 352 K CA -0.926 55.452 56.287 0.152 0.000 0.865 352 K CB 1.149 33.652 32.500 0.006 0.000 1.444 352 K HN 0.440 nan 8.250 nan 0.000 0.433 353 N N 2.077 120.874 118.700 0.161 0.000 2.401 353 N HA 0.239 4.919 4.740 -0.100 0.000 0.255 353 N C -0.946 174.647 175.510 0.139 0.000 1.110 353 N CA -0.132 52.990 53.050 0.119 0.000 0.949 353 N CB 0.887 39.404 38.487 0.051 0.000 1.110 353 N HN 0.528 nan 8.380 nan 0.000 0.490 354 I N 1.251 121.960 120.570 0.232 0.000 2.533 354 I HA 0.210 4.320 4.170 -0.100 0.000 0.290 354 I C -1.119 175.222 176.117 0.374 0.000 1.056 354 I CA -0.847 60.631 61.300 0.297 0.000 1.057 354 I CB 1.866 40.125 38.000 0.431 0.000 1.240 354 I HN 0.177 nan 8.210 nan 0.000 0.423 355 D N 8.143 128.698 120.400 0.257 0.000 2.352 355 D HA 0.093 4.673 4.640 -0.100 0.000 0.245 355 D C -0.829 175.633 176.300 0.271 0.000 1.224 355 D CA 0.245 54.403 54.000 0.264 0.000 0.879 355 D CB 0.656 41.525 40.800 0.114 0.000 1.057 355 D HN 0.378 nan 8.370 nan 0.000 0.491 356 W N 4.876 126.253 121.300 0.130 0.000 2.266 356 W HA 0.161 4.760 4.660 -0.101 0.000 0.317 356 W C -1.990 174.390 176.519 -0.232 0.000 1.310 356 W CA -1.831 55.434 57.345 -0.135 0.000 1.207 356 W CB 1.034 30.203 29.460 -0.485 0.000 1.199 356 W HN 0.228 nan 8.180 nan 0.000 0.544 357 P HA 0.018 nan 4.420 nan 0.000 0.266 357 P C -0.050 177.197 177.300 -0.088 0.000 1.195 357 P CA 0.493 63.363 63.100 -0.384 0.000 0.768 357 P CB 0.768 32.038 31.700 -0.716 0.000 0.838 358 R N 0.912 121.409 120.500 -0.005 0.000 2.472 358 R HA 0.106 4.387 4.340 -0.100 0.000 0.279 358 R C 0.668 176.988 176.300 0.033 0.000 0.953 358 R CA -0.149 56.006 56.100 0.090 0.000 1.088 358 R CB 0.252 30.602 30.300 0.083 0.000 1.197 358 R HN 0.646 nan 8.270 nan 0.000 0.536 359 D N 0.514 120.901 120.400 -0.021 0.000 2.360 359 D HA -0.047 4.533 4.640 -0.100 0.000 0.242 359 D C 0.949 177.251 176.300 0.003 0.000 1.184 359 D CA 0.102 54.090 54.000 -0.020 0.000 0.930 359 D CB 1.012 41.779 40.800 -0.054 0.000 1.161 359 D HN -0.069 nan 8.370 nan 0.000 0.447 360 S N 0.416 116.120 115.700 0.007 0.000 2.420 360 S HA -0.167 4.243 4.470 -0.100 0.000 0.237 360 S C 1.707 176.319 174.600 0.021 0.000 1.023 360 S CA 1.202 59.412 58.200 0.016 0.000 0.991 360 S CB -0.480 62.727 63.200 0.013 0.000 0.792 360 S HN 0.469 nan 8.310 nan 0.000 0.488 361 V N 1.500 121.420 119.914 0.010 0.000 2.484 361 V HA 0.243 4.303 4.120 -0.100 0.000 0.236 361 V C 2.920 179.033 176.094 0.032 0.000 1.062 361 V CA 1.128 63.439 62.300 0.018 0.000 1.081 361 V CB -1.551 30.275 31.823 0.005 0.000 0.751 361 V HN 0.549 nan 8.190 nan 0.000 0.484 362 G N 1.505 110.285 108.800 -0.033 0.000 2.450 362 G HA2 -0.308 3.592 3.960 -0.100 0.000 0.220 362 G HA3 -0.308 3.592 3.960 -0.100 0.000 0.220 362 G C 1.492 176.409 174.900 0.028 0.000 1.130 362 G CA 1.328 46.361 45.100 -0.110 0.000 0.760 362 G HN 0.674 nan 8.290 nan 0.000 0.557 363 K N 0.271 120.745 120.400 0.124 0.000 2.211 363 K HA -0.078 4.183 4.320 -0.100 0.000 0.204 363 K C 1.715 178.652 176.600 0.561 0.000 1.047 363 K CA 1.443 57.966 56.287 0.393 0.000 0.935 363 K CB -0.256 32.403 32.500 0.265 0.000 0.728 363 K HN 0.159 nan 8.250 nan 0.000 0.452 364 N N 1.084 119.984 118.700 0.334 0.000 2.446 364 N HA 0.008 4.688 4.740 -0.100 0.000 0.179 364 N C -0.020 175.605 175.510 0.192 0.000 1.054 364 N CA 0.330 53.537 53.050 0.262 0.000 0.905 364 N CB 0.150 38.702 38.487 0.109 0.000 0.973 364 N HN 0.006 nan 8.380 nan 0.000 0.448 365 V N 2.681 122.796 119.914 0.336 0.000 2.614 365 V HA 0.082 4.142 4.120 -0.100 0.000 0.291 365 V C 0.465 176.826 176.094 0.445 0.000 1.049 365 V CA -0.117 62.380 62.300 0.328 0.000 1.038 365 V CB 0.960 33.041 31.823 0.429 0.000 0.980 365 V HN 0.277 nan 8.190 nan 0.000 0.481 366 Q N 3.849 123.724 119.800 0.124 0.000 2.456 366 Q HA 0.639 4.920 4.340 -0.100 0.000 0.283 366 Q C -1.003 175.007 176.000 0.016 0.000 1.084 366 Q CA -1.081 54.738 55.803 0.027 0.000 0.801 366 Q CB 2.178 30.661 28.738 -0.425 0.000 1.434 366 Q HN 0.548 nan 8.270 nan 0.000 0.419 367 I N 2.700 123.231 120.570 -0.066 0.000 2.668 367 I HA -0.141 3.969 4.170 -0.100 0.000 0.285 367 I C 1.166 177.147 176.117 -0.226 0.000 1.168 367 I CA 0.132 61.331 61.300 -0.169 0.000 1.424 367 I CB 0.566 38.332 38.000 -0.389 0.000 1.377 367 I HN 0.635 nan 8.210 nan 0.000 0.560 368 Q N 5.023 124.716 119.800 -0.180 0.000 2.204 368 Q HA 0.067 4.347 4.340 -0.100 0.000 0.198 368 Q C 1.582 177.443 176.000 -0.231 0.000 0.946 368 Q CA 0.864 56.563 55.803 -0.172 0.000 0.859 368 Q CB 0.277 28.958 28.738 -0.095 0.000 0.946 368 Q HN 0.906 nan 8.270 nan 0.000 0.474 369 G N 0.565 109.182 108.800 -0.306 0.000 3.899 369 G HA2 0.176 4.076 3.960 -0.100 0.000 0.293 369 G HA3 0.176 4.076 3.960 -0.100 0.000 0.293 369 G C -0.274 174.262 174.900 -0.607 0.000 1.054 369 G CA -0.106 44.792 45.100 -0.337 0.000 0.846 369 G HN 0.084 nan 8.290 nan 0.000 0.525 370 S N -0.002 115.169 115.700 -0.882 0.000 2.565 370 S HA 0.770 5.180 4.470 -0.100 0.000 0.290 370 S C 0.498 174.806 174.600 -0.486 0.000 1.150 370 S CA -0.178 57.455 58.200 -0.944 0.000 1.058 370 S CB 1.353 63.817 63.200 -1.226 0.000 1.032 370 S HN 0.580 nan 8.310 nan 0.000 0.510 371 A N 2.624 125.207 122.820 -0.395 0.000 2.304 371 A HA 0.784 5.044 4.320 -0.100 0.000 0.271 371 A C 0.185 177.684 177.584 -0.141 0.000 1.091 371 A CA -0.228 51.586 52.037 -0.371 0.000 0.812 371 A CB 0.339 18.893 19.000 -0.743 0.000 1.056 371 A HN 1.454 nan 8.150 nan 0.000 0.489 372 S N -0.753 114.915 115.700 -0.052 0.000 2.615 372 S HA 0.716 5.126 4.470 -0.100 0.000 0.269 372 S C -1.475 173.072 174.600 -0.089 0.000 1.161 372 S CA -0.657 57.577 58.200 0.057 0.000 0.817 372 S CB 0.651 63.827 63.200 -0.041 0.000 1.131 372 S HN 0.591 nan 8.310 nan 0.000 0.467 373 Y N 0.149 120.486 120.300 0.061 0.000 2.485 373 Y HA 0.837 5.327 4.550 -0.100 0.000 0.345 373 Y C -0.135 175.750 175.900 -0.025 0.000 0.998 373 Y CA -0.898 57.189 58.100 -0.021 0.000 1.059 373 Y CB 1.950 40.346 38.460 -0.107 0.000 1.234 373 Y HN 0.908 nan 8.280 nan 0.000 0.461 374 I N 2.273 122.921 120.570 0.130 0.000 2.787 374 I HA 0.336 4.446 4.170 -0.100 0.000 0.294 374 I C -1.888 174.274 176.117 0.074 0.000 1.365 374 I CA -0.536 60.802 61.300 0.064 0.000 1.029 374 I CB 1.842 39.846 38.000 0.007 0.000 1.313 374 I HN 0.697 nan 8.210 nan 0.000 0.431 375 D N 5.438 125.885 120.400 0.079 0.000 4.465 375 D HA -0.077 4.503 4.640 -0.100 0.000 0.244 375 D C -2.558 173.818 176.300 0.127 0.000 1.062 375 D CA 0.453 54.523 54.000 0.117 0.000 1.227 375 D CB -0.413 40.467 40.800 0.133 0.000 0.829 375 D HN 0.361 nan 8.370 nan 0.000 0.402 376 P HA 0.429 nan 4.420 nan 0.000 0.284 376 P C -0.582 176.837 177.300 0.198 0.000 1.258 376 P CA -0.596 62.591 63.100 0.144 0.000 0.824 376 P CB 1.519 33.286 31.700 0.112 0.000 1.038 377 V N 3.254 123.323 119.914 0.259 0.000 2.623 377 V HA 0.358 4.418 4.120 -0.100 0.000 0.304 377 V C 0.169 176.521 176.094 0.431 0.000 1.054 377 V CA -0.600 61.886 62.300 0.311 0.000 0.882 377 V CB 1.822 33.799 31.823 0.257 0.000 1.002 377 V HN 0.418 nan 8.190 nan 0.000 0.424 378 L N 5.229 126.688 121.223 0.393 0.000 2.325 378 L HA 0.761 5.041 4.340 -0.100 0.000 0.278 378 L C -0.931 176.219 176.870 0.467 0.000 1.023 378 L CA -0.727 54.376 54.840 0.439 0.000 0.811 378 L CB 1.918 44.218 42.059 0.402 0.000 1.249 378 L HN 0.495 nan 8.230 nan 0.000 0.431 379 L N 2.481 124.034 121.223 0.550 0.000 2.505 379 L HA 0.489 4.769 4.340 -0.100 0.000 0.259 379 L C -1.182 176.037 176.870 0.580 0.000 0.952 379 L CA -0.124 55.048 54.840 0.554 0.000 0.840 379 L CB 2.269 44.725 42.059 0.662 0.000 1.358 379 L HN 0.638 nan 8.230 nan 0.000 0.409 380 E N 2.371 122.844 120.200 0.455 0.000 2.222 380 E HA 0.270 4.560 4.350 -0.100 0.000 0.267 380 E C -1.617 175.220 176.600 0.395 0.000 0.884 380 E CA -0.630 56.002 56.400 0.387 0.000 0.764 380 E CB 1.596 31.451 29.700 0.258 0.000 1.169 380 E HN 0.651 nan 8.360 nan 0.000 0.413 381 D N 4.328 124.975 120.400 0.412 0.000 2.428 381 D HA 0.113 4.693 4.640 -0.100 0.000 0.221 381 D C 0.442 176.871 176.300 0.215 0.000 1.123 381 D CA -0.145 54.073 54.000 0.364 0.000 0.869 381 D CB 0.925 42.008 40.800 0.472 0.000 1.032 381 D HN 0.429 nan 8.370 nan 0.000 0.506 382 K N 2.438 122.945 120.400 0.177 0.000 2.280 382 K HA -0.114 4.146 4.320 -0.100 0.000 0.202 382 K C 1.432 178.081 176.600 0.081 0.000 1.047 382 K CA 0.530 56.888 56.287 0.117 0.000 0.942 382 K CB 0.404 32.967 32.500 0.104 0.000 0.739 382 K HN 0.349 nan 8.250 nan 0.000 0.457 383 L N 0.352 121.629 121.223 0.090 0.000 2.044 383 L HA -0.104 4.177 4.340 -0.100 0.000 0.205 383 L C 2.534 179.387 176.870 -0.029 0.000 1.075 383 L CA 1.949 56.807 54.840 0.031 0.000 0.747 383 L CB -1.236 40.848 42.059 0.043 0.000 0.903 383 L HN 0.267 nan 8.230 nan 0.000 0.435 384 T N -5.447 109.087 114.554 -0.034 0.000 3.065 384 T HA 0.047 4.337 4.350 -0.100 0.000 0.252 384 T C 0.918 175.599 174.700 -0.031 0.000 1.099 384 T CA -0.093 61.966 62.100 -0.068 0.000 1.063 384 T CB 0.216 69.023 68.868 -0.102 0.000 0.948 384 T HN 0.100 nan 8.240 nan 0.000 0.506 385 K N 0.027 120.434 120.400 0.012 0.000 3.500 385 K HA -0.163 4.097 4.320 -0.100 0.000 0.313 385 K C 0.303 176.889 176.600 -0.022 0.000 1.338 385 K CA 0.663 56.957 56.287 0.012 0.000 0.963 385 K CB -1.834 30.663 32.500 -0.005 0.000 1.267 385 K HN 0.673 nan 8.250 nan 0.000 0.448 386 R N 1.474 121.942 120.500 -0.054 0.000 2.490 386 R HA 0.421 4.701 4.340 -0.100 0.000 0.280 386 R C 0.710 176.864 176.300 -0.243 0.000 1.077 386 R CA -0.230 55.745 56.100 -0.208 0.000 1.065 386 R CB 0.460 30.559 30.300 -0.335 0.000 1.003 386 R HN 0.319 nan 8.270 nan 0.000 0.470 387 I N 0.166 120.531 120.570 -0.341 0.000 2.693 387 I HA 0.573 4.683 4.170 -0.100 0.000 0.303 387 I C -1.357 174.575 176.117 -0.307 0.000 1.025 387 I CA -1.065 60.150 61.300 -0.142 0.000 1.086 387 I CB 1.751 39.770 38.000 0.031 0.000 1.268 387 I HN 0.395 nan 8.210 nan 0.000 0.440 388 F N 4.541 124.655 119.950 0.273 0.000 2.563 388 F HA 0.667 5.133 4.527 -0.100 0.000 0.316 388 F C -0.765 175.079 175.800 0.074 0.000 1.076 388 F CA -0.875 57.216 58.000 0.152 0.000 0.921 388 F CB 2.107 41.121 39.000 0.024 0.000 1.209 388 F HN 0.366 nan 8.300 nan 0.000 0.462 389 L N 3.608 124.848 121.223 0.029 0.000 2.343 389 L HA 0.696 4.976 4.340 -0.100 0.000 0.278 389 L C -1.787 174.888 176.870 -0.325 0.000 0.996 389 L CA -0.517 54.267 54.840 -0.095 0.000 0.831 389 L CB 0.532 42.374 42.059 -0.362 0.000 1.232 389 L HN 0.415 nan 8.230 nan 0.000 0.413 390 F N 3.962 123.946 119.950 0.056 0.000 2.507 390 F HA 0.946 5.413 4.527 -0.100 0.000 0.327 390 F C 0.449 176.247 175.800 -0.003 0.000 1.068 390 F CA -0.183 57.819 58.000 0.002 0.000 0.965 390 F CB 2.023 41.009 39.000 -0.023 0.000 1.192 390 F HN 0.702 nan 8.300 nan 0.000 0.476 391 A N 0.581 123.517 122.820 0.195 0.000 2.597 391 A HA 0.518 4.778 4.320 -0.100 0.000 0.292 391 A C -1.971 175.712 177.584 0.165 0.000 1.057 391 A CA -1.027 51.101 52.037 0.152 0.000 0.674 391 A CB 1.022 20.084 19.000 0.103 0.000 1.278 391 A HN 0.569 nan 8.150 nan 0.000 0.416 392 D N 1.034 121.506 120.400 0.120 0.000 2.350 392 D HA 0.417 4.997 4.640 -0.100 0.000 0.249 392 D C -0.548 175.787 176.300 0.058 0.000 1.119 392 D CA 0.130 54.167 54.000 0.062 0.000 0.886 392 D CB 1.733 42.529 40.800 -0.007 0.000 1.195 392 D HN 0.389 nan 8.370 nan 0.000 0.437 393 L N 3.426 124.638 121.223 -0.018 0.000 2.294 393 L HA 0.330 4.610 4.340 -0.100 0.000 0.283 393 L C -1.149 175.594 176.870 -0.211 0.000 1.015 393 L CA -0.515 54.172 54.840 -0.255 0.000 0.831 393 L CB 0.879 42.761 42.059 -0.294 0.000 1.217 393 L HN 0.194 nan 8.230 nan 0.000 0.420 394 M N 7.241 126.695 119.600 -0.244 0.000 2.088 394 M HA 0.463 4.883 4.480 -0.100 0.000 0.346 394 M C -2.225 173.936 176.300 -0.232 0.000 1.111 394 M CA -2.139 53.055 55.300 -0.178 0.000 1.017 394 M CB 0.991 33.500 32.600 -0.152 0.000 1.568 394 M HN 0.338 nan 8.290 nan 0.000 0.445 395 P HA 0.088 nan 4.420 nan 0.000 0.272 395 P C -0.466 176.746 177.300 -0.145 0.000 1.254 395 P CA -0.217 62.840 63.100 -0.072 0.000 0.795 395 P CB 0.477 32.256 31.700 0.132 0.000 1.022 396 A N 1.316 124.053 122.820 -0.138 0.000 2.566 396 A HA 0.353 4.613 4.320 -0.100 0.000 0.245 396 A C 1.479 178.954 177.584 -0.182 0.000 1.056 396 A CA 0.832 52.753 52.037 -0.193 0.000 0.757 396 A CB -1.763 17.142 19.000 -0.158 0.000 0.979 396 A HN 0.879 nan 8.150 nan 0.000 0.508 397 G N 1.380 110.041 108.800 -0.232 0.000 2.166 397 G HA2 -0.194 3.706 3.960 -0.100 0.000 0.260 397 G HA3 -0.194 3.706 3.960 -0.100 0.000 0.260 397 G C 0.033 174.835 174.900 -0.162 0.000 0.986 397 G CA 0.476 45.456 45.100 -0.200 0.000 0.683 397 G HN 0.723 nan 8.290 nan 0.000 0.527 398 I N 0.417 120.893 120.570 -0.157 0.000 2.562 398 I HA 0.779 4.889 4.170 -0.100 0.000 0.301 398 I C 0.833 176.867 176.117 -0.139 0.000 1.003 398 I CA -0.091 61.129 61.300 -0.133 0.000 1.127 398 I CB 1.271 39.205 38.000 -0.111 0.000 1.304 398 I HN 0.239 nan 8.210 nan 0.000 0.446 399 G N 2.292 111.014 108.800 -0.130 0.000 2.708 399 G HA2 0.410 4.310 3.960 -0.100 0.000 0.289 399 G HA3 0.410 4.310 3.960 -0.100 0.000 0.289 399 G C 0.249 175.059 174.900 -0.151 0.000 1.416 399 G CA -0.203 44.812 45.100 -0.141 0.000 0.829 399 G HN 0.468 nan 8.290 nan 0.000 0.480 400 S N -0.180 115.386 115.700 -0.224 0.000 2.374 400 S HA -0.207 4.203 4.470 -0.100 0.000 0.227 400 S C 2.802 177.289 174.600 -0.187 0.000 1.037 400 S CA 2.303 60.281 58.200 -0.370 0.000 1.024 400 S CB -0.362 62.394 63.200 -0.740 0.000 0.861 400 S HN 1.007 nan 8.310 nan 0.000 0.456 401 S N 2.870 118.492 115.700 -0.131 0.000 2.419 401 S HA -0.115 4.295 4.470 -0.100 0.000 0.233 401 S C 1.216 175.812 174.600 -0.006 0.000 1.016 401 S CA 1.254 59.434 58.200 -0.034 0.000 0.974 401 S CB -0.447 62.725 63.200 -0.047 0.000 0.786 401 S HN 0.719 nan 8.310 nan 0.000 0.492 402 N N 1.361 120.038 118.700 -0.039 0.000 2.235 402 N HA 0.353 5.033 4.740 -0.100 0.000 0.231 402 N C -0.073 175.410 175.510 -0.045 0.000 1.177 402 N CA 0.115 53.142 53.050 -0.037 0.000 0.874 402 N CB 0.077 38.528 38.487 -0.060 0.000 1.097 402 N HN 0.445 nan 8.380 nan 0.000 0.518 403 A N 0.556 123.363 122.820 -0.021 0.000 2.462 403 A HA 0.440 4.700 4.320 -0.100 0.000 0.243 403 A C 0.377 177.941 177.584 -0.033 0.000 1.076 403 A CA -0.163 51.852 52.037 -0.037 0.000 0.773 403 A CB 0.197 19.205 19.000 0.014 0.000 1.010 403 A HN 0.302 nan 8.150 nan 0.000 0.493 404 S N 0.353 115.981 115.700 -0.119 0.000 2.580 404 S HA 0.330 4.740 4.470 -0.100 0.000 0.274 404 S C 0.223 174.865 174.600 0.071 0.000 1.329 404 S CA -0.586 57.556 58.200 -0.095 0.000 1.036 404 S CB 1.002 63.971 63.200 -0.386 0.000 0.919 404 S HN 0.552 nan 8.310 nan 0.000 0.515 405 V N 2.862 122.850 119.914 0.123 0.000 2.508 405 V HA 0.638 4.698 4.120 -0.100 0.000 0.281 405 V C 0.874 177.100 176.094 0.220 0.000 1.041 405 V CA 0.643 63.017 62.300 0.124 0.000 1.016 405 V CB 0.017 31.882 31.823 0.069 0.000 0.984 405 V HN 1.131 nan 8.190 nan 0.000 0.478 406 G N 3.270 112.155 108.800 0.142 0.000 2.345 406 G HA2 0.229 4.129 3.960 -0.100 0.000 0.310 406 G HA3 0.229 4.129 3.960 -0.100 0.000 0.310 406 G C 0.261 175.161 174.900 0.000 0.000 1.476 406 G CA 0.002 45.113 45.100 0.019 0.000 0.978 406 G HN 0.887 nan 8.290 nan 0.000 0.656 407 S N -1.068 114.590 115.700 -0.070 0.000 2.446 407 S HA 0.384 4.794 4.470 -0.100 0.000 0.225 407 S C 2.107 176.789 174.600 0.137 0.000 1.016 407 S CA 1.616 59.830 58.200 0.024 0.000 0.943 407 S CB 0.187 63.422 63.200 0.059 0.000 0.786 407 S HN 2.886 nan 8.310 nan 0.000 0.508 408 G N 0.042 108.836 108.800 -0.011 0.000 2.175 408 G HA2 -0.190 3.710 3.960 -0.100 0.000 0.244 408 G HA3 -0.190 3.710 3.960 -0.100 0.000 0.244 408 G C -0.123 174.757 174.900 -0.033 0.000 0.982 408 G CA 0.196 45.352 45.100 0.092 0.000 0.641 408 G HN 0.488 nan 8.290 nan 0.000 0.527 409 F N 0.208 120.138 119.950 -0.034 0.000 2.556 409 F HA 0.789 5.256 4.527 -0.100 0.000 0.327 409 F C 0.363 176.139 175.800 -0.040 0.000 1.059 409 F CA -0.916 57.090 58.000 0.011 0.000 0.953 409 F CB 2.066 41.077 39.000 0.019 0.000 1.227 409 F HN 0.043 nan 8.300 nan 0.000 0.478 410 K N 1.328 121.850 120.400 0.203 0.000 2.427 410 K HA 0.336 4.596 4.320 -0.100 0.000 0.252 410 K C -1.412 175.273 176.600 0.143 0.000 0.931 410 K CA -0.563 55.798 56.287 0.124 0.000 0.793 410 K CB 1.973 34.538 32.500 0.108 0.000 1.211 410 K HN 0.777 nan 8.250 nan 0.000 0.426 411 E N 3.333 123.581 120.200 0.081 0.000 2.146 411 E HA 0.322 4.612 4.350 -0.100 0.000 0.282 411 E C -1.453 175.191 176.600 0.073 0.000 0.989 411 E CA -0.753 55.673 56.400 0.044 0.000 0.799 411 E CB 1.357 31.062 29.700 0.009 0.000 1.088 411 E HN 0.309 nan 8.360 nan 0.000 0.397 412 V N 5.091 125.070 119.914 0.108 0.000 2.760 412 V HA 0.206 4.266 4.120 -0.100 0.000 0.309 412 V C -0.188 175.987 176.094 0.134 0.000 1.077 412 V CA -1.039 61.349 62.300 0.146 0.000 0.910 412 V CB 1.900 33.856 31.823 0.221 0.000 1.008 412 V HN 0.893 nan 8.190 nan 0.000 0.424 413 N N 3.139 121.887 118.700 0.080 0.000 2.725 413 N HA -0.223 4.457 4.740 -0.100 0.000 0.249 413 N C 1.193 176.717 175.510 0.022 0.000 1.103 413 N CA 1.717 54.802 53.050 0.058 0.000 0.707 413 N CB -1.176 37.364 38.487 0.088 0.000 1.043 413 N HN 1.695 nan 8.380 nan 0.000 0.553 414 G N -0.928 107.873 108.800 0.001 0.000 2.184 414 G HA2 -0.384 3.516 3.960 -0.100 0.000 0.264 414 G HA3 -0.384 3.516 3.960 -0.100 0.000 0.264 414 G C 0.039 174.890 174.900 -0.081 0.000 0.975 414 G CA 1.087 46.171 45.100 -0.027 0.000 0.642 414 G HN 0.659 nan 8.290 nan 0.000 0.536 415 K N 0.534 120.838 120.400 -0.160 0.000 2.207 415 K HA 0.550 4.810 4.320 -0.100 0.000 0.255 415 K C -0.037 176.248 176.600 -0.526 0.000 0.941 415 K CA -0.827 55.249 56.287 -0.351 0.000 0.825 415 K CB 0.774 32.994 32.500 -0.467 0.000 1.119 415 K HN 0.097 nan 8.250 nan 0.000 0.430 416 K N 2.819 122.985 120.400 -0.390 0.000 2.297 416 K HA 0.198 4.458 4.320 -0.100 0.000 0.286 416 K C -1.237 175.272 176.600 -0.150 0.000 1.053 416 K CA -0.219 55.952 56.287 -0.194 0.000 0.940 416 K CB 0.578 33.008 32.500 -0.116 0.000 1.019 416 K HN 0.343 nan 8.250 nan 0.000 0.475 417 Y N 1.229 121.714 120.300 0.308 0.000 2.499 417 Y HA 0.298 4.788 4.550 -0.100 0.000 0.347 417 Y C 0.099 176.078 175.900 0.131 0.000 0.987 417 Y CA -1.057 57.197 58.100 0.257 0.000 1.044 417 Y CB 1.077 39.600 38.460 0.104 0.000 1.245 417 Y HN 0.320 nan 8.280 nan 0.000 0.461 418 L N 4.054 125.302 121.223 0.042 0.000 2.462 418 L HA 0.145 4.426 4.340 -0.100 0.000 0.272 418 L C 0.157 176.964 176.870 -0.104 0.000 1.166 418 L CA -0.072 54.518 54.840 -0.416 0.000 0.880 418 L CB 0.304 42.135 42.059 -0.381 0.000 1.142 418 L HN 0.636 nan 8.230 nan 0.000 0.473 419 K N 4.848 125.197 120.400 -0.085 0.000 2.118 419 K HA 0.718 4.979 4.320 -0.100 0.000 0.267 419 K C -1.160 175.561 176.600 0.202 0.000 0.991 419 K CA -0.754 55.589 56.287 0.093 0.000 0.916 419 K CB 1.595 34.159 32.500 0.106 0.000 1.041 419 K HN 0.428 nan 8.250 nan 0.000 0.455 420 L N 1.658 123.069 121.223 0.314 0.000 2.354 420 L HA 0.543 4.823 4.340 -0.100 0.000 0.264 420 L C -0.443 176.707 176.870 0.467 0.000 1.008 420 L CA -1.153 53.908 54.840 0.369 0.000 0.819 420 L CB 2.322 44.492 42.059 0.185 0.000 1.339 420 L HN 0.715 nan 8.230 nan 0.000 0.420 421 R N 1.850 122.513 120.500 0.272 0.000 2.387 421 R HA 0.229 4.509 4.340 -0.100 0.000 0.314 421 R C -1.113 175.225 176.300 0.064 0.000 0.958 421 R CA -0.550 55.532 56.100 -0.030 0.000 0.846 421 R CB 1.390 31.264 30.300 -0.711 0.000 1.147 421 R HN 0.735 nan 8.270 nan 0.000 0.447 422 W N 7.756 128.969 121.300 -0.146 0.000 2.303 422 W HA 0.005 4.605 4.660 -0.100 0.000 0.318 422 W C 0.953 177.266 176.519 -0.343 0.000 1.362 422 W CA -0.177 56.857 57.345 -0.518 0.000 1.234 422 W CB 0.599 29.735 29.460 -0.540 0.000 1.248 422 W HN 0.891 nan 8.180 nan 0.000 0.546 423 H N 3.671 122.108 119.070 -1.056 0.000 2.496 423 H HA -0.196 4.300 4.556 -0.100 0.000 0.296 423 H C 0.518 175.484 175.328 -0.604 0.000 1.107 423 H CA 1.586 57.171 56.048 -0.772 0.000 1.263 423 H CB -0.146 29.156 29.762 -0.766 0.000 1.369 423 H HN 0.452 nan 8.280 nan 0.000 0.541 424 K N 0.535 120.200 120.400 -1.225 0.000 2.374 424 K HA 0.066 4.326 4.320 -0.100 0.000 0.196 424 K C -0.252 176.272 176.600 -0.126 0.000 1.023 424 K CA -0.168 55.792 56.287 -0.544 0.000 1.103 424 K CB 0.581 32.847 32.500 -0.391 0.000 0.848 424 K HN 0.245 nan 8.250 nan 0.000 0.528 425 D N 0.562 120.925 120.400 -0.061 0.000 2.506 425 D HA 0.240 4.820 4.640 -0.100 0.000 0.272 425 D C -0.057 176.224 176.300 -0.033 0.000 1.214 425 D CA -0.451 53.566 54.000 0.028 0.000 1.067 425 D CB 0.575 41.438 40.800 0.106 0.000 1.117 425 D HN 0.062 nan 8.370 nan 0.000 0.578 426 A N -0.350 122.465 122.820 -0.009 0.000 2.466 426 A HA 0.418 4.678 4.320 -0.100 0.000 0.238 426 A C 1.586 179.151 177.584 -0.033 0.000 1.074 426 A CA 0.373 52.403 52.037 -0.012 0.000 0.774 426 A CB -0.162 18.846 19.000 0.013 0.000 1.015 426 A HN 0.547 nan 8.150 nan 0.000 0.498 427 G N 1.064 109.854 108.800 -0.018 0.000 2.547 427 G HA2 -0.290 3.610 3.960 -0.100 0.000 0.221 427 G HA3 -0.290 3.610 3.960 -0.100 0.000 0.221 427 G C 1.122 176.038 174.900 0.027 0.000 1.140 427 G CA 1.336 46.430 45.100 -0.010 0.000 0.760 427 G HN 0.953 nan 8.290 nan 0.000 0.583 428 R N -0.480 120.071 120.500 0.086 0.000 2.633 428 R HA 0.656 4.936 4.340 -0.100 0.000 0.348 428 R C 0.294 176.730 176.300 0.227 0.000 1.100 428 R CA 0.185 56.433 56.100 0.247 0.000 1.068 428 R CB 0.463 30.914 30.300 0.251 0.000 1.351 428 R HN 0.157 nan 8.270 nan 0.000 0.575 429 A N 1.469 124.295 122.820 0.011 0.000 2.478 429 A HA 0.361 4.621 4.320 -0.100 0.000 0.327 429 A C -1.247 176.289 177.584 -0.079 0.000 1.431 429 A CA -0.542 51.514 52.037 0.031 0.000 1.014 429 A CB -0.262 18.754 19.000 0.027 0.000 1.143 429 A HN 0.397 nan 8.150 nan 0.000 0.532 430 Y N 1.772 122.169 120.300 0.161 0.000 2.880 430 Y HA 0.209 4.699 4.550 -0.100 0.000 0.329 430 Y C 0.261 176.252 175.900 0.151 0.000 1.156 430 Y CA -0.695 57.523 58.100 0.198 0.000 1.348 430 Y CB 0.726 39.291 38.460 0.175 0.000 1.280 430 Y HN 0.659 nan 8.280 nan 0.000 0.516 431 D N 1.459 121.985 120.400 0.211 0.000 2.342 431 D HA 0.034 4.614 4.640 -0.100 0.000 0.221 431 D C -0.476 175.664 176.300 -0.266 0.000 1.101 431 D CA 0.559 54.535 54.000 -0.041 0.000 0.837 431 D CB 0.159 40.843 40.800 -0.194 0.000 0.938 431 D HN 0.344 nan 8.370 nan 0.000 0.508 432 Y N -0.129 120.266 120.300 0.159 0.000 2.605 432 Y HA 0.445 4.935 4.550 -0.100 0.000 0.343 432 Y C 0.622 176.567 175.900 0.074 0.000 1.036 432 Y CA -1.096 57.070 58.100 0.110 0.000 1.065 432 Y CB 1.829 40.356 38.460 0.112 0.000 1.288 432 Y HN -0.298 nan 8.280 nan 0.000 0.481 433 T N -1.292 113.369 114.554 0.179 0.000 2.900 433 T HA 0.672 4.962 4.350 -0.100 0.000 0.303 433 T C -1.116 173.587 174.700 0.005 0.000 1.142 433 T CA -0.759 61.390 62.100 0.082 0.000 1.007 433 T CB 1.301 70.200 68.868 0.051 0.000 1.156 433 T HN 0.472 nan 8.240 nan 0.000 0.490 434 I N 2.683 123.255 120.570 0.003 0.000 2.297 434 I HA 0.382 4.492 4.170 -0.100 0.000 0.291 434 I C 0.956 177.043 176.117 -0.050 0.000 1.033 434 I CA -0.735 60.567 61.300 0.003 0.000 1.253 434 I CB 0.682 38.727 38.000 0.075 0.000 1.396 434 I HN 0.470 nan 8.210 nan 0.000 0.476 435 R N 3.639 124.035 120.500 -0.174 0.000 2.917 435 R HA 0.441 4.721 4.340 -0.100 0.000 0.220 435 R C -0.371 175.905 176.300 -0.040 0.000 1.485 435 R CA -1.123 54.746 56.100 -0.386 0.000 1.037 435 R CB 0.395 30.206 30.300 -0.816 0.000 1.929 435 R HN 0.357 nan 8.270 nan 0.000 0.526 436 E N 2.143 122.340 120.200 -0.005 0.000 2.568 436 E HA -0.081 4.209 4.350 -0.100 0.000 0.262 436 E C -0.446 176.183 176.600 0.048 0.000 0.961 436 E CA 0.693 57.135 56.400 0.069 0.000 0.945 436 E CB 0.166 29.909 29.700 0.071 0.000 0.924 436 E HN 0.278 nan 8.360 nan 0.000 0.467 437 K N 1.885 122.307 120.400 0.037 0.000 3.129 437 K HA -0.222 4.038 4.320 -0.100 0.000 0.273 437 K C 0.850 177.434 176.600 -0.025 0.000 1.123 437 K CA 1.008 57.295 56.287 0.001 0.000 0.800 437 K CB -2.496 30.002 32.500 -0.002 0.000 1.238 437 K HN 1.065 nan 8.250 nan 0.000 0.492 438 G N -1.147 107.642 108.800 -0.017 0.000 2.186 438 G HA2 -0.370 3.531 3.960 -0.100 0.000 0.266 438 G HA3 -0.370 3.531 3.960 -0.100 0.000 0.266 438 G C 0.305 175.198 174.900 -0.013 0.000 0.982 438 G CA 0.325 45.402 45.100 -0.039 0.000 0.670 438 G HN 0.352 nan 8.290 nan 0.000 0.533 439 V N 1.409 121.336 119.914 0.021 0.000 2.585 439 V HA 0.290 4.350 4.120 -0.100 0.000 0.296 439 V C 1.204 177.351 176.094 0.088 0.000 1.035 439 V CA 0.100 62.428 62.300 0.046 0.000 1.084 439 V CB 1.169 33.046 31.823 0.091 0.000 0.953 439 V HN 0.314 nan 8.190 nan 0.000 0.483 440 I N 5.468 126.046 120.570 0.014 0.000 2.342 440 I HA 0.320 4.430 4.170 -0.100 0.000 0.291 440 I C -0.597 175.549 176.117 0.049 0.000 1.010 440 I CA -0.187 61.100 61.300 -0.021 0.000 1.308 440 I CB 0.670 38.505 38.000 -0.276 0.000 1.400 440 I HN 0.488 nan 8.210 nan 0.000 0.488 441 Y N 4.720 125.000 120.300 -0.032 0.000 2.446 441 Y HA 0.274 4.764 4.550 -0.100 0.000 0.338 441 Y C 0.499 176.450 175.900 0.085 0.000 1.055 441 Y CA -0.781 57.325 58.100 0.009 0.000 1.101 441 Y CB 1.228 39.641 38.460 -0.078 0.000 1.221 441 Y HN 0.463 nan 8.280 nan 0.000 0.460 442 N N 2.614 121.409 118.700 0.158 0.000 2.408 442 N HA 0.013 4.693 4.740 -0.100 0.000 0.257 442 N C -0.056 175.418 175.510 -0.061 0.000 1.064 442 N CA 0.061 53.060 53.050 -0.086 0.000 0.952 442 N CB 0.839 39.289 38.487 -0.061 0.000 1.093 442 N HN 0.707 nan 8.380 nan 0.000 0.490 443 D N 3.157 123.471 120.400 -0.143 0.000 2.178 443 D HA -0.084 4.496 4.640 -0.100 0.000 0.202 443 D C 1.491 177.761 176.300 -0.049 0.000 0.974 443 D CA 0.847 54.818 54.000 -0.049 0.000 0.841 443 D CB 0.039 40.818 40.800 -0.035 0.000 0.953 443 D HN 0.693 nan 8.370 nan 0.000 0.478 444 A N 0.654 123.413 122.820 -0.102 0.000 1.898 444 A HA -0.127 4.133 4.320 -0.100 0.000 0.216 444 A C 2.297 179.861 177.584 -0.034 0.000 1.181 444 A CA 2.286 54.284 52.037 -0.066 0.000 0.620 444 A CB -0.618 18.328 19.000 -0.089 0.000 0.819 444 A HN 0.362 nan 8.150 nan 0.000 0.442 445 T N -5.011 109.524 114.554 -0.032 0.000 3.022 445 T HA 0.115 4.405 4.350 -0.100 0.000 0.250 445 T C 0.751 175.470 174.700 0.032 0.000 1.060 445 T CA 0.720 62.817 62.100 -0.004 0.000 1.013 445 T CB -0.166 68.695 68.868 -0.012 0.000 0.982 445 T HN 0.413 nan 8.240 nan 0.000 0.508 446 N N 1.179 119.915 118.700 0.060 0.000 2.714 446 N HA -0.148 4.533 4.740 -0.100 0.000 0.250 446 N C -0.963 174.680 175.510 0.222 0.000 1.117 446 N CA 0.633 53.770 53.050 0.145 0.000 0.719 446 N CB -1.126 37.416 38.487 0.092 0.000 1.081 446 N HN 0.571 nan 8.380 nan 0.000 0.557 447 Q N 0.062 119.925 119.800 0.105 0.000 2.309 447 Q HA 0.504 4.784 4.340 -0.100 0.000 0.264 447 Q C -2.354 173.463 176.000 -0.306 0.000 1.008 447 Q CA -1.534 54.243 55.803 -0.042 0.000 0.853 447 Q CB 1.690 30.405 28.738 -0.038 0.000 1.314 447 Q HN 0.233 nan 8.270 nan 0.000 0.448 448 P HA 0.037 nan 4.420 nan 0.000 0.275 448 P C -0.172 176.946 177.300 -0.302 0.000 1.228 448 P CA -0.025 62.569 63.100 -0.845 0.000 0.786 448 P CB 1.064 32.288 31.700 -0.794 0.000 0.927 449 T N 0.332 114.793 114.554 -0.155 0.000 2.880 449 T HA 0.153 4.443 4.350 -0.100 0.000 0.279 449 T C 1.059 175.785 174.700 0.043 0.000 0.990 449 T CA -0.459 61.670 62.100 0.048 0.000 0.938 449 T CB 0.332 69.341 68.868 0.235 0.000 1.206 449 T HN 0.341 nan 8.240 nan 0.000 0.573 450 E N -0.220 120.038 120.200 0.097 0.000 2.494 450 E HA 0.139 4.429 4.350 -0.100 0.000 0.193 450 E C -0.682 175.777 176.600 -0.234 0.000 1.074 450 E CA 0.068 56.404 56.400 -0.107 0.000 0.867 450 E CB 0.089 29.675 29.700 -0.190 0.000 0.924 450 E HN 0.372 nan 8.360 nan 0.000 0.502 451 F N 0.958 120.917 119.950 0.015 0.000 2.523 451 F HA 0.492 4.959 4.527 -0.100 0.000 0.329 451 F C 0.516 176.291 175.800 -0.040 0.000 1.061 451 F CA -0.968 57.053 58.000 0.034 0.000 0.967 451 F CB 1.276 40.318 39.000 0.070 0.000 1.218 451 F HN -0.201 nan 8.300 nan 0.000 0.480 452 R N -0.417 120.202 120.500 0.197 0.000 2.712 452 R HA 0.841 5.121 4.340 -0.100 0.000 0.272 452 R C -2.130 174.254 176.300 0.141 0.000 1.032 452 R CA -1.199 54.949 56.100 0.080 0.000 0.874 452 R CB 1.503 31.796 30.300 -0.011 0.000 1.256 452 R HN 0.494 nan 8.270 nan 0.000 0.468 453 V N -1.695 118.248 119.914 0.049 0.000 2.960 453 V HA 0.628 4.688 4.120 -0.100 0.000 0.315 453 V C -0.671 175.387 176.094 -0.059 0.000 1.087 453 V CA -0.895 61.450 62.300 0.074 0.000 0.982 453 V CB 1.743 33.560 31.823 -0.010 0.000 1.039 453 V HN 0.969 nan 8.190 nan 0.000 0.437 454 D N 1.723 122.120 120.400 -0.005 0.000 2.539 454 D HA 0.397 4.978 4.640 -0.100 0.000 0.280 454 D C 1.282 177.467 176.300 -0.191 0.000 1.208 454 D CA 0.002 53.940 54.000 -0.103 0.000 1.088 454 D CB 0.579 41.387 40.800 0.013 0.000 1.149 454 D HN 0.775 nan 8.370 nan 0.000 0.596 455 G N -1.343 107.378 108.800 -0.132 0.000 2.708 455 G HA2 -0.117 3.784 3.960 -0.100 0.000 0.210 455 G HA3 -0.117 3.784 3.960 -0.100 0.000 0.210 455 G C 0.686 175.535 174.900 -0.084 0.000 1.141 455 G CA 0.204 45.219 45.100 -0.142 0.000 0.788 455 G HN 0.356 nan 8.290 nan 0.000 0.531 456 E N -0.660 119.524 120.200 -0.027 0.000 2.562 456 E HA 0.137 4.427 4.350 -0.100 0.000 0.214 456 E C -0.195 176.562 176.600 0.262 0.000 0.979 456 E CA -0.760 55.720 56.400 0.135 0.000 1.002 456 E CB 0.258 30.039 29.700 0.134 0.000 1.048 456 E HN 0.447 nan 8.360 nan 0.000 0.488 457 Y N -0.139 120.233 120.300 0.119 0.000 4.272 457 Y HA -0.251 4.239 4.550 -0.100 0.000 0.232 457 Y C 0.002 175.908 175.900 0.010 0.000 1.149 457 Y CA 0.245 58.382 58.100 0.062 0.000 1.961 457 Y CB -2.173 36.334 38.460 0.079 0.000 1.611 457 Y HN 0.037 nan 8.280 nan 0.000 0.682 458 N N 1.025 119.802 118.700 0.129 0.000 2.479 458 N HA 0.359 5.040 4.740 -0.100 0.000 0.285 458 N C -0.048 175.517 175.510 0.091 0.000 1.075 458 N CA -0.562 52.520 53.050 0.054 0.000 0.967 458 N CB 1.059 39.569 38.487 0.038 0.000 1.137 458 N HN 0.011 nan 8.380 nan 0.000 0.472 459 L N 2.460 123.694 121.223 0.018 0.000 2.417 459 L HA 0.268 4.548 4.340 -0.100 0.000 0.268 459 L C -0.382 176.478 176.870 -0.016 0.000 1.158 459 L CA 0.230 55.140 54.840 0.116 0.000 0.819 459 L CB -0.476 41.687 42.059 0.173 0.000 1.112 459 L HN 0.451 nan 8.230 nan 0.000 0.458 460 Y N 1.038 121.415 120.300 0.129 0.000 2.457 460 Y HA 0.409 4.899 4.550 -0.100 0.000 0.343 460 Y C 0.101 176.019 175.900 0.030 0.000 0.994 460 Y CA -0.729 57.412 58.100 0.068 0.000 1.031 460 Y CB 1.805 40.276 38.460 0.019 0.000 1.246 460 Y HN 0.480 nan 8.280 nan 0.000 0.449 461 Q N 3.292 123.122 119.800 0.051 0.000 2.320 461 Q HA 0.251 4.531 4.340 -0.100 0.000 0.268 461 Q C -0.560 175.405 176.000 -0.059 0.000 1.023 461 Q CA -0.427 55.210 55.803 -0.277 0.000 0.744 461 Q CB 0.600 29.074 28.738 -0.440 0.000 1.246 461 Q HN 0.910 nan 8.270 nan 0.000 0.462 462 H N 4.152 123.110 119.070 -0.187 0.000 2.756 462 H HA -0.190 4.306 4.556 -0.100 0.000 0.315 462 H C -0.670 174.640 175.328 -0.031 0.000 1.210 462 H CA 1.539 57.523 56.048 -0.106 0.000 1.150 462 H CB -0.676 29.017 29.762 -0.115 0.000 1.463 462 H HN 1.104 nan 8.280 nan 0.000 0.427 463 D N -1.447 118.984 120.400 0.051 0.000 2.978 463 D HA -0.152 4.428 4.640 -0.100 0.000 0.205 463 D C 0.001 176.444 176.300 0.239 0.000 1.093 463 D CA 1.558 55.624 54.000 0.109 0.000 1.006 463 D CB -1.154 39.658 40.800 0.021 0.000 1.116 463 D HN 0.529 nan 8.370 nan 0.000 0.419 464 T N 1.425 116.096 114.554 0.195 0.000 2.767 464 T HA 0.196 4.486 4.350 -0.100 0.000 0.288 464 T C 0.304 175.030 174.700 0.044 0.000 0.963 464 T CA -0.576 61.598 62.100 0.124 0.000 1.019 464 T CB 1.455 70.358 68.868 0.059 0.000 0.923 464 T HN 0.010 nan 8.240 nan 0.000 0.468 465 N N 3.108 121.753 118.700 -0.092 0.000 2.452 465 N HA 0.078 4.758 4.740 -0.100 0.000 0.266 465 N C -0.614 174.762 175.510 -0.223 0.000 1.209 465 N CA -0.296 52.478 53.050 -0.461 0.000 0.929 465 N CB 0.148 38.382 38.487 -0.422 0.000 1.063 465 N HN 0.333 nan 8.380 nan 0.000 0.472 466 L N 2.290 123.392 121.223 -0.201 0.000 2.395 466 L HA 0.364 4.644 4.340 -0.100 0.000 0.269 466 L C 1.097 177.934 176.870 -0.056 0.000 1.133 466 L CA 0.104 54.908 54.840 -0.059 0.000 0.812 466 L CB 1.060 43.138 42.059 0.033 0.000 1.125 466 L HN 0.677 nan 8.230 nan 0.000 0.452 467 T N -1.130 113.415 114.554 -0.016 0.000 2.865 467 T HA 0.866 5.156 4.350 -0.100 0.000 0.294 467 T C -0.576 174.135 174.700 0.019 0.000 1.119 467 T CA -0.779 61.325 62.100 0.007 0.000 1.007 467 T CB 1.584 70.453 68.868 0.001 0.000 1.225 467 T HN 0.835 nan 8.240 nan 0.000 0.515 468 C N -0.587 118.739 119.300 0.042 0.000 3.318 468 C HA 0.813 5.213 4.460 -0.100 0.000 0.322 468 C C -1.117 173.894 174.990 0.035 0.000 1.398 468 C CA -1.322 57.718 59.018 0.036 0.000 1.339 468 C CB 1.070 28.847 27.740 0.061 0.000 1.668 468 C HN 0.979 nan 8.230 nan 0.000 0.462 469 K N 1.438 121.846 120.400 0.013 0.000 2.322 469 K HA 0.288 4.548 4.320 -0.100 0.000 0.283 469 K C -0.053 176.551 176.600 0.006 0.000 1.042 469 K CA 0.373 56.645 56.287 -0.026 0.000 0.958 469 K CB 0.966 33.406 32.500 -0.100 0.000 0.984 469 K HN 0.909 nan 8.250 nan 0.000 0.473 470 Q N 2.337 122.120 119.800 -0.028 0.000 2.340 470 Q HA 0.090 4.370 4.340 -0.100 0.000 0.249 470 Q C -1.013 174.932 176.000 -0.091 0.000 0.957 470 Q CA -0.160 55.629 55.803 -0.025 0.000 0.882 470 Q CB 0.499 29.214 28.738 -0.037 0.000 1.235 470 Q HN 0.330 nan 8.270 nan 0.000 0.439 471 Y N 1.466 121.514 120.300 -0.420 0.000 2.376 471 Y HA 0.311 4.801 4.550 -0.100 0.000 0.325 471 Y C -0.030 175.611 175.900 -0.433 0.000 1.199 471 Y CA -0.703 57.048 58.100 -0.582 0.000 1.206 471 Y CB 1.571 39.284 38.460 -1.245 0.000 1.229 471 Y HN 0.707 nan 8.280 nan 0.000 0.480 472 D N 0.289 120.582 120.400 -0.178 0.000 2.374 472 D HA 0.419 4.999 4.640 -0.100 0.000 0.239 472 D C -1.776 174.540 176.300 0.026 0.000 0.991 472 D CA -0.494 53.420 54.000 -0.142 0.000 0.960 472 D CB 1.217 41.898 40.800 -0.199 0.000 1.284 472 D HN 0.350 nan 8.370 nan 0.000 0.512 473 Y N -0.306 120.008 120.300 0.023 0.000 2.396 473 Y HA 0.640 5.129 4.550 -0.100 0.000 0.332 473 Y C -0.837 175.053 175.900 -0.016 0.000 1.034 473 Y CA -0.999 57.126 58.100 0.042 0.000 1.057 473 Y CB 1.109 39.682 38.460 0.189 0.000 1.220 473 Y HN 0.079 nan 8.280 nan 0.000 0.440 474 N N 2.301 120.975 118.700 -0.044 0.000 2.396 474 N HA 0.406 5.086 4.740 -0.100 0.000 0.275 474 N C -1.930 173.462 175.510 -0.197 0.000 1.218 474 N CA -0.700 52.295 53.050 -0.093 0.000 0.812 474 N CB 2.452 40.898 38.487 -0.069 0.000 1.592 474 N HN 0.490 nan 8.380 nan 0.000 0.480 475 F N 0.721 120.594 119.950 -0.128 0.000 2.410 475 F HA 0.235 4.703 4.527 -0.099 0.000 0.348 475 F C 1.174 176.913 175.800 -0.102 0.000 1.106 475 F CA -0.089 57.820 58.000 -0.152 0.000 1.163 475 F CB 1.276 40.129 39.000 -0.245 0.000 1.129 475 F HN 0.213 nan 8.300 nan 0.000 0.516 476 S N 3.248 119.004 115.700 0.093 0.000 2.532 476 S HA 0.576 4.986 4.470 -0.100 0.000 0.256 476 S C 0.328 174.968 174.600 0.066 0.000 1.298 476 S CA 0.225 58.452 58.200 0.046 0.000 1.166 476 S CB -0.425 62.778 63.200 0.005 0.000 1.022 476 S HN 1.189 nan 8.310 nan 0.000 0.480 477 G N 4.962 113.796 108.800 0.056 0.000 2.531 477 G HA2 -0.291 3.609 3.960 -0.100 0.000 0.274 477 G HA3 -0.291 3.609 3.960 -0.100 0.000 0.274 477 G C 0.420 175.359 174.900 0.066 0.000 1.159 477 G CA 0.246 45.365 45.100 0.031 0.000 0.969 477 G HN 0.598 nan 8.290 nan 0.000 0.554 478 N N 2.425 121.163 118.700 0.064 0.000 2.336 478 N HA 0.084 4.764 4.740 -0.100 0.000 0.189 478 N C 0.191 175.831 175.510 0.216 0.000 1.113 478 N CA 0.293 53.400 53.050 0.094 0.000 0.858 478 N CB -0.114 38.395 38.487 0.037 0.000 0.970 478 N HN 0.483 nan 8.380 nan 0.000 0.471 479 N N 0.960 119.763 118.700 0.171 0.000 2.438 479 N HA 0.161 4.841 4.740 -0.100 0.000 0.282 479 N C -0.621 174.850 175.510 -0.065 0.000 1.037 479 N CA -0.282 52.812 53.050 0.073 0.000 0.942 479 N CB 2.188 40.688 38.487 0.021 0.000 1.136 479 N HN 0.064 nan 8.380 nan 0.000 0.481 480 L N 3.836 124.901 121.223 -0.264 0.000 2.255 480 L HA 0.342 4.622 4.340 -0.100 0.000 0.289 480 L C -0.683 176.041 176.870 -0.244 0.000 1.046 480 L CA -0.585 53.895 54.840 -0.600 0.000 0.816 480 L CB 0.417 42.103 42.059 -0.621 0.000 1.197 480 L HN 0.327 nan 8.230 nan 0.000 0.427 481 I N 4.720 125.174 120.570 -0.193 0.000 2.315 481 I HA 0.262 4.372 4.170 -0.100 0.000 0.291 481 I C 0.124 176.245 176.117 0.005 0.000 1.006 481 I CA -0.276 60.983 61.300 -0.069 0.000 1.265 481 I CB 1.249 39.212 38.000 -0.062 0.000 1.387 481 I HN 0.573 nan 8.210 nan 0.000 0.475 482 E N 5.057 125.305 120.200 0.080 0.000 2.114 482 E HA 0.469 4.759 4.350 -0.100 0.000 0.266 482 E C -0.646 176.050 176.600 0.161 0.000 0.896 482 E CA -0.420 56.105 56.400 0.209 0.000 0.750 482 E CB 1.573 31.471 29.700 0.330 0.000 1.121 482 E HN 0.669 nan 8.360 nan 0.000 0.413 483 S N 2.375 118.066 115.700 -0.016 0.000 2.569 483 S HA 0.465 4.875 4.470 -0.100 0.000 0.280 483 S C -0.309 173.866 174.600 -0.707 0.000 1.111 483 S CA -1.229 56.795 58.200 -0.293 0.000 0.887 483 S CB 1.703 64.789 63.200 -0.190 0.000 1.095 483 S HN 0.235 nan 8.310 nan 0.000 0.476 484 K N 1.267 121.108 120.400 -0.932 0.000 2.319 484 K HA 0.412 4.672 4.320 -0.100 0.000 0.265 484 K C 0.604 176.942 176.600 -0.436 0.000 1.000 484 K CA 0.004 55.770 56.287 -0.868 0.000 0.943 484 K CB 0.479 32.606 32.500 -0.622 0.000 0.950 484 K HN 0.880 nan 8.250 nan 0.000 0.485 485 T N -2.821 111.536 114.554 -0.328 0.000 2.762 485 T HA 0.153 4.443 4.350 -0.100 0.000 0.272 485 T C 0.508 175.114 174.700 -0.157 0.000 0.982 485 T CA -0.729 61.249 62.100 -0.204 0.000 1.013 485 T CB 1.056 69.824 68.868 -0.166 0.000 1.309 485 T HN 0.651 nan 8.240 nan 0.000 0.572 486 D N -0.384 119.950 120.400 -0.111 0.000 2.340 486 D HA 0.072 4.653 4.640 -0.100 0.000 0.217 486 D C 0.232 176.493 176.300 -0.065 0.000 1.081 486 D CA -0.213 53.737 54.000 -0.084 0.000 0.842 486 D CB -0.382 40.377 40.800 -0.069 0.000 0.934 486 D HN 0.294 nan 8.370 nan 0.000 0.511 487 V N 1.903 121.777 119.914 -0.067 0.000 2.508 487 V HA 0.067 4.127 4.120 -0.100 0.000 0.281 487 V C 0.329 176.405 176.094 -0.029 0.000 1.041 487 V CA -0.227 62.047 62.300 -0.043 0.000 1.016 487 V CB 1.112 32.910 31.823 -0.041 0.000 0.984 487 V HN 0.087 nan 8.190 nan 0.000 0.478 488 D N 3.779 124.171 120.400 -0.013 0.000 2.225 488 D HA 0.495 5.075 4.640 -0.100 0.000 0.248 488 D C -0.182 176.134 176.300 0.026 0.000 1.096 488 D CA 0.056 54.058 54.000 0.003 0.000 0.863 488 D CB 2.290 43.090 40.800 -0.000 0.000 1.156 488 D HN 0.462 nan 8.370 nan 0.000 0.450 489 V N -0.217 119.728 119.914 0.052 0.000 3.001 489 V HA 0.460 4.520 4.120 -0.100 0.000 0.314 489 V C -0.089 176.075 176.094 0.116 0.000 1.099 489 V CA -1.256 61.101 62.300 0.096 0.000 0.989 489 V CB 1.673 33.576 31.823 0.134 0.000 1.040 489 V HN 0.349 nan 8.190 nan 0.000 0.434 490 N N 2.298 121.071 118.700 0.121 0.000 2.454 490 N HA 0.258 4.939 4.740 -0.100 0.000 0.260 490 N C -0.136 175.444 175.510 0.118 0.000 1.218 490 N CA -0.114 52.976 53.050 0.067 0.000 0.904 490 N CB 0.674 39.177 38.487 0.027 0.000 1.065 490 N HN 0.866 nan 8.380 nan 0.000 0.462 491 M N 3.073 122.697 119.600 0.041 0.000 2.307 491 M HA 0.011 4.431 4.480 -0.100 0.000 0.346 491 M C -0.554 175.663 176.300 -0.138 0.000 1.552 491 M CA 0.191 55.509 55.300 0.031 0.000 1.116 491 M CB 0.131 32.740 32.600 0.014 0.000 1.889 491 M HN 0.536 nan 8.290 nan 0.000 0.460 492 N N 4.821 123.232 118.700 -0.482 0.000 2.361 492 N HA 0.245 4.926 4.740 -0.100 0.000 0.302 492 N C 0.846 176.037 175.510 -0.531 0.000 1.074 492 N CA -0.426 52.232 53.050 -0.653 0.000 0.850 492 N CB 1.253 38.995 38.487 -1.242 0.000 1.228 492 N HN 0.910 nan 8.380 nan 0.000 0.491 493 I N -0.493 119.836 120.570 -0.403 0.000 2.800 493 I HA -0.099 4.011 4.170 -0.100 0.000 0.266 493 I C 0.199 175.950 176.117 -0.610 0.000 1.249 493 I CA 1.232 62.251 61.300 -0.468 0.000 1.458 493 I CB -0.314 37.351 38.000 -0.558 0.000 1.093 493 I HN 0.226 nan 8.210 nan 0.000 0.466 494 F N 0.046 119.802 119.950 -0.324 0.000 2.727 494 F HA 0.301 4.768 4.527 -0.099 0.000 0.302 494 F C 0.380 176.083 175.800 -0.162 0.000 1.097 494 F CA -0.565 57.243 58.000 -0.319 0.000 1.330 494 F CB -0.288 38.395 39.000 -0.527 0.000 1.084 494 F HN -0.054 nan 8.300 nan 0.000 0.578 495 Y N 1.348 121.555 120.300 -0.155 0.000 2.320 495 Y HA 0.206 4.696 4.550 -0.100 0.000 0.324 495 Y C 1.694 177.510 175.900 -0.140 0.000 1.190 495 Y CA -2.129 55.877 58.100 -0.156 0.000 1.215 495 Y CB 0.848 39.248 38.460 -0.101 0.000 1.221 495 Y HN 0.089 nan 8.280 nan 0.000 0.486 496 K N 0.226 120.624 120.400 -0.005 0.000 2.209 496 K HA -0.136 4.124 4.320 -0.100 0.000 0.204 496 K C 0.023 176.580 176.600 -0.071 0.000 1.048 496 K CA 2.070 58.315 56.287 -0.070 0.000 0.940 496 K CB -0.183 32.239 32.500 -0.131 0.000 0.729 496 K HN 0.607 nan 8.250 nan 0.000 0.451 497 N N 0.943 119.616 118.700 -0.046 0.000 2.251 497 N HA 0.021 4.701 4.740 -0.100 0.000 0.217 497 N C -0.715 174.721 175.510 -0.123 0.000 1.124 497 N CA -0.423 52.582 53.050 -0.074 0.000 0.843 497 N CB 0.865 39.345 38.487 -0.011 0.000 1.024 497 N HN 0.116 nan 8.380 nan 0.000 0.501 498 S N 0.390 116.031 115.700 -0.098 0.000 2.576 498 S HA 0.060 4.470 4.470 -0.100 0.000 0.276 498 S C 1.681 176.088 174.600 -0.322 0.000 1.339 498 S CA -0.737 57.380 58.200 -0.139 0.000 1.039 498 S CB 0.870 64.016 63.200 -0.090 0.000 0.902 498 S HN 0.175 nan 8.310 nan 0.000 0.516 499 V N 2.499 122.174 119.914 -0.398 0.000 2.667 499 V HA 0.276 4.336 4.120 -0.100 0.000 0.252 499 V C 0.159 175.862 176.094 -0.651 0.000 1.065 499 V CA 0.913 62.750 62.300 -0.771 0.000 1.083 499 V CB -0.924 30.540 31.823 -0.598 0.000 0.692 499 V HN 0.652 nan 8.190 nan 0.000 0.468 500 F N 1.272 121.075 119.950 -0.245 0.000 2.499 500 F HA 0.656 5.123 4.527 -0.100 0.000 0.333 500 F C 0.147 175.849 175.800 -0.162 0.000 1.138 500 F CA -1.151 56.747 58.000 -0.171 0.000 0.945 500 F CB 1.857 40.759 39.000 -0.164 0.000 1.181 500 F HN -0.069 nan 8.300 nan 0.000 0.435 501 K N 2.736 123.172 120.400 0.061 0.000 2.221 501 K HA 0.814 5.074 4.320 -0.100 0.000 0.258 501 K C -0.323 176.350 176.600 0.122 0.000 0.944 501 K CA -0.925 55.374 56.287 0.019 0.000 0.823 501 K CB 2.089 34.587 32.500 -0.003 0.000 1.113 501 K HN 0.613 nan 8.250 nan 0.000 0.431 502 A N 2.326 125.142 122.820 -0.006 0.000 2.332 502 A HA 0.233 4.493 4.320 -0.100 0.000 0.258 502 A C -0.509 177.257 177.584 0.302 0.000 1.087 502 A CA -0.371 51.693 52.037 0.045 0.000 0.802 502 A CB 0.071 18.881 19.000 -0.317 0.000 1.042 502 A HN 0.698 nan 8.150 nan 0.000 0.489 503 F N 2.726 122.744 119.950 0.113 0.000 2.578 503 F HA 0.302 4.769 4.527 -0.100 0.000 0.376 503 F C -1.326 174.547 175.800 0.120 0.000 1.085 503 F CA -1.777 56.165 58.000 -0.097 0.000 1.260 503 F CB 0.800 39.605 39.000 -0.324 0.000 1.095 503 F HN 0.334 nan 8.300 nan 0.000 0.573 504 P HA -0.003 nan 4.420 nan 0.000 0.249 504 P C -0.200 176.893 177.300 -0.346 0.000 1.686 504 P CA 0.261 63.160 63.100 -0.334 0.000 0.873 504 P CB -0.145 31.371 31.700 -0.307 0.000 1.828 505 T N 0.075 114.510 114.554 -0.198 0.000 2.870 505 T HA 0.294 4.584 4.350 -0.100 0.000 0.277 505 T C -0.114 174.469 174.700 -0.195 0.000 1.000 505 T CA -0.850 61.159 62.100 -0.152 0.000 0.982 505 T CB 1.018 69.869 68.868 -0.029 0.000 1.249 505 T HN 0.152 nan 8.240 nan 0.000 0.589 506 N N 0.390 118.952 118.700 -0.230 0.000 2.489 506 N HA 0.285 4.965 4.740 -0.100 0.000 0.284 506 N C -1.522 173.720 175.510 -0.446 0.000 1.158 506 N CA -0.243 52.685 53.050 -0.205 0.000 0.965 506 N CB 1.005 39.432 38.487 -0.101 0.000 1.195 506 N HN 0.551 nan 8.380 nan 0.000 0.506 507 Y N -0.470 119.797 120.300 -0.054 0.000 2.633 507 Y HA 0.517 5.007 4.550 -0.100 0.000 0.339 507 Y C -0.158 175.718 175.900 -0.040 0.000 1.045 507 Y CA -0.962 57.122 58.100 -0.027 0.000 1.098 507 Y CB 1.850 40.282 38.460 -0.046 0.000 1.296 507 Y HN 0.276 nan 8.280 nan 0.000 0.494 508 L N 2.082 123.379 121.223 0.123 0.000 2.305 508 L HA 0.826 5.107 4.340 -0.100 0.000 0.284 508 L C -0.378 176.560 176.870 0.114 0.000 1.013 508 L CA -0.730 54.158 54.840 0.079 0.000 0.819 508 L CB 1.257 43.324 42.059 0.015 0.000 1.227 508 L HN 0.736 nan 8.230 nan 0.000 0.417 509 A N 4.549 127.454 122.820 0.143 0.000 2.354 509 A HA 1.032 5.292 4.320 -0.100 0.000 0.321 509 A C -0.644 176.986 177.584 0.076 0.000 1.125 509 A CA -0.546 51.572 52.037 0.134 0.000 0.799 509 A CB 2.075 21.200 19.000 0.208 0.000 1.293 509 A HN 0.747 nan 8.150 nan 0.000 0.452 510 M N -0.085 119.521 119.600 0.010 0.000 2.643 510 M HA 0.756 5.176 4.480 -0.100 0.000 0.276 510 M C -1.417 174.851 176.300 -0.053 0.000 1.200 510 M CA -0.224 54.992 55.300 -0.140 0.000 0.863 510 M CB 1.603 34.008 32.600 -0.325 0.000 1.711 510 M HN 0.581 nan 8.290 nan 0.000 0.492 511 R N 0.850 121.307 120.500 -0.072 0.000 2.740 511 R HA 0.746 5.026 4.340 -0.100 0.000 0.273 511 R C -1.889 174.576 176.300 0.275 0.000 0.998 511 R CA -0.870 55.266 56.100 0.061 0.000 0.900 511 R CB 2.400 32.684 30.300 -0.027 0.000 1.223 511 R HN 0.887 nan 8.270 nan 0.000 0.466 512 Y N -1.488 118.944 120.300 0.219 0.000 2.587 512 Y HA 0.806 5.296 4.550 -0.100 0.000 0.337 512 Y C -0.588 175.214 175.900 -0.164 0.000 1.065 512 Y CA -1.199 56.892 58.100 -0.015 0.000 1.126 512 Y CB 2.015 40.347 38.460 -0.213 0.000 1.279 512 Y HN 0.448 nan 8.280 nan 0.000 0.489 513 S N 0.418 115.952 115.700 -0.275 0.000 2.572 513 S HA 0.362 4.772 4.470 -0.100 0.000 0.274 513 S C -1.117 173.294 174.600 -0.315 0.000 1.150 513 S CA -0.669 57.179 58.200 -0.586 0.000 0.944 513 S CB 1.160 63.441 63.200 -1.532 0.000 1.071 513 S HN 0.793 nan 8.310 nan 0.000 0.479 514 D N 2.249 122.533 120.400 -0.193 0.000 2.398 514 D HA 0.145 4.725 4.640 -0.100 0.000 0.210 514 D C -0.163 176.053 176.300 -0.139 0.000 1.094 514 D CA 0.323 54.248 54.000 -0.125 0.000 0.839 514 D CB 0.494 41.271 40.800 -0.038 0.000 0.963 514 D HN 0.754 nan 8.370 nan 0.000 0.506 515 D N -0.204 120.074 120.400 -0.203 0.000 2.804 515 D HA 0.051 4.631 4.640 -0.100 0.000 0.308 515 D C -0.218 175.988 176.300 -0.157 0.000 1.371 515 D CA -0.375 53.535 54.000 -0.150 0.000 0.823 515 D CB -0.453 40.271 40.800 -0.127 0.000 1.126 515 D HN -0.104 nan 8.370 nan 0.000 0.467 516 E N -0.083 120.012 120.200 -0.174 0.000 2.360 516 E HA -0.201 4.089 4.350 -0.100 0.000 0.238 516 E C 0.949 177.530 176.600 -0.033 0.000 1.186 516 E CA 0.477 56.833 56.400 -0.074 0.000 0.719 516 E CB -1.655 28.060 29.700 0.025 0.000 1.236 516 E HN 0.714 nan 8.360 nan 0.000 0.386 517 G N -1.441 107.097 108.800 -0.437 0.000 2.176 517 G HA2 -0.361 3.539 3.960 -0.100 0.000 0.253 517 G HA3 -0.361 3.539 3.960 -0.100 0.000 0.253 517 G C 0.958 175.769 174.900 -0.149 0.000 0.979 517 G CA 0.614 45.455 45.100 -0.431 0.000 0.641 517 G HN 0.822 nan 8.290 nan 0.000 0.530 518 A N -0.385 122.341 122.820 -0.157 0.000 1.969 518 A HA 0.510 4.770 4.320 -0.100 0.000 0.218 518 A C 1.606 179.142 177.584 -0.080 0.000 1.169 518 A CA 2.375 54.381 52.037 -0.053 0.000 0.635 518 A CB -0.213 18.756 19.000 -0.051 0.000 0.810 518 A HN 2.165 nan 8.150 nan 0.000 0.445 519 S N -3.345 112.208 115.700 -0.244 0.000 2.556 519 S HA 0.617 5.027 4.470 -0.100 0.000 0.271 519 S C -1.393 172.961 174.600 -0.409 0.000 1.135 519 S CA -0.876 57.220 58.200 -0.174 0.000 0.858 519 S CB 0.683 63.819 63.200 -0.107 0.000 1.114 519 S HN 0.365 nan 8.310 nan 0.000 0.468 520 W N 1.375 122.568 121.300 -0.178 0.000 2.864 520 W HA 0.687 5.286 4.660 -0.101 0.000 0.343 520 W C 0.637 176.970 176.519 -0.309 0.000 1.109 520 W CA -0.483 56.702 57.345 -0.266 0.000 1.192 520 W CB 1.908 31.213 29.460 -0.258 0.000 1.426 520 W HN 0.950 nan 8.180 nan 0.000 0.529 521 S N 0.270 115.811 115.700 -0.266 0.000 2.617 521 S HA 0.217 4.627 4.470 -0.100 0.000 0.259 521 S C -0.045 174.478 174.600 -0.129 0.000 1.301 521 S CA -0.596 57.374 58.200 -0.383 0.000 0.984 521 S CB 0.492 63.122 63.200 -0.949 0.000 0.954 521 S HN 0.400 nan 8.310 nan 0.000 0.572 522 D N 0.124 120.479 120.400 -0.075 0.000 2.362 522 D HA 0.200 4.780 4.640 -0.100 0.000 0.238 522 D C -0.012 176.318 176.300 0.051 0.000 1.212 522 D CA -0.312 53.690 54.000 0.004 0.000 0.902 522 D CB -0.005 40.807 40.800 0.019 0.000 1.180 522 D HN 0.440 nan 8.370 nan 0.000 0.445 523 L N 1.812 123.098 121.223 0.105 0.000 2.462 523 L HA 0.089 4.369 4.340 -0.100 0.000 0.272 523 L C -0.250 176.781 176.870 0.269 0.000 1.166 523 L CA 0.453 55.403 54.840 0.182 0.000 0.880 523 L CB 0.155 42.397 42.059 0.305 0.000 1.142 523 L HN 0.183 nan 8.230 nan 0.000 0.473 524 D N 5.556 126.091 120.400 0.223 0.000 2.453 524 D HA 0.271 4.852 4.640 -0.100 0.000 0.238 524 D C -0.516 175.920 176.300 0.226 0.000 1.088 524 D CA -0.219 53.935 54.000 0.257 0.000 0.854 524 D CB 0.600 41.555 40.800 0.258 0.000 1.076 524 D HN 0.435 nan 8.370 nan 0.000 0.533 525 I N 4.612 125.338 120.570 0.259 0.000 2.291 525 I HA 0.032 4.143 4.170 -0.100 0.000 0.292 525 I C 1.633 177.852 176.117 0.170 0.000 1.064 525 I CA -0.516 60.906 61.300 0.204 0.000 1.269 525 I CB 1.375 39.486 38.000 0.183 0.000 1.418 525 I HN 0.313 nan 8.210 nan 0.000 0.485 526 V N 1.905 121.849 119.914 0.051 0.000 3.649 526 V HA 0.019 4.079 4.120 -0.100 0.000 0.275 526 V C 1.460 177.212 176.094 -0.569 0.000 1.281 526 V CA 0.577 62.813 62.300 -0.107 0.000 1.143 526 V CB -0.185 31.599 31.823 -0.066 0.000 0.892 526 V HN 0.795 nan 8.190 nan 0.000 0.441 527 S N 0.748 116.177 115.700 -0.452 0.000 2.768 527 S HA 0.054 4.464 4.470 -0.100 0.000 0.246 527 S C 1.673 175.752 174.600 -0.868 0.000 1.006 527 S CA 0.333 58.060 58.200 -0.788 0.000 1.075 527 S CB -0.568 62.478 63.200 -0.257 0.000 0.786 527 S HN 0.887 nan 8.310 nan 0.000 0.468 528 S N 1.729 116.767 115.700 -1.104 0.000 2.442 528 S HA -0.117 4.293 4.470 -0.100 0.000 0.236 528 S C 1.311 175.466 174.600 -0.742 0.000 1.007 528 S CA 0.482 57.765 58.200 -1.528 0.000 0.965 528 S CB -1.052 61.532 63.200 -1.027 0.000 0.773 528 S HN 0.790 nan 8.310 nan 0.000 0.504 529 F N 1.096 120.846 119.950 -0.333 0.000 2.811 529 F HA 0.472 4.939 4.527 -0.100 0.000 0.301 529 F C 0.554 176.216 175.800 -0.229 0.000 1.151 529 F CA -1.544 56.339 58.000 -0.196 0.000 1.412 529 F CB -0.876 38.084 39.000 -0.067 0.000 1.113 529 F HN -0.005 nan 8.300 nan 0.000 0.579 530 K N 3.561 123.948 120.400 -0.022 0.000 2.453 530 K HA 0.079 4.339 4.320 -0.100 0.000 0.280 530 K C -2.401 174.171 176.600 -0.048 0.000 1.045 530 K CA -1.496 54.754 56.287 -0.061 0.000 1.059 530 K CB 0.149 32.583 32.500 -0.110 0.000 0.901 530 K HN 0.007 nan 8.250 nan 0.000 0.475 531 P HA -0.057 nan 4.420 nan 0.000 0.262 531 P C -0.479 176.808 177.300 -0.023 0.000 1.182 531 P CA 0.304 63.398 63.100 -0.009 0.000 0.761 531 P CB 0.640 32.347 31.700 0.011 0.000 0.795 532 E N 1.561 121.753 120.200 -0.013 0.000 2.333 532 E HA -0.112 4.178 4.350 -0.100 0.000 0.198 532 E C 1.359 177.947 176.600 -0.020 0.000 1.007 532 E CA 0.593 56.978 56.400 -0.026 0.000 0.845 532 E CB -0.093 29.591 29.700 -0.028 0.000 0.766 532 E HN 0.192 nan 8.360 nan 0.000 0.507 533 V N 0.911 120.817 119.914 -0.014 0.000 3.649 533 V HA 0.012 4.072 4.120 -0.100 0.000 0.275 533 V C 0.329 176.404 176.094 -0.031 0.000 1.281 533 V CA 0.243 62.535 62.300 -0.013 0.000 1.143 533 V CB 0.105 31.925 31.823 -0.006 0.000 0.892 533 V HN 0.170 nan 8.190 nan 0.000 0.441 534 S N -0.737 114.934 115.700 -0.047 0.000 2.562 534 S HA 0.292 4.703 4.470 -0.100 0.000 0.275 534 S C 0.885 175.436 174.600 -0.083 0.000 1.281 534 S CA -0.240 57.902 58.200 -0.097 0.000 1.045 534 S CB 1.632 64.756 63.200 -0.127 0.000 0.962 534 S HN 0.436 nan 8.310 nan 0.000 0.503 535 K N 1.358 121.674 120.400 -0.140 0.000 2.044 535 K HA 0.121 4.381 4.320 -0.100 0.000 0.204 535 K C -0.153 176.464 176.600 0.028 0.000 1.049 535 K CA 0.751 57.010 56.287 -0.047 0.000 0.945 535 K CB -0.046 32.432 32.500 -0.036 0.000 0.724 535 K HN 0.785 nan 8.250 nan 0.000 0.440 536 F N -0.774 119.137 119.950 -0.065 0.000 2.631 536 F HA 0.556 5.023 4.527 -0.099 0.000 0.308 536 F C -1.669 174.044 175.800 -0.146 0.000 1.097 536 F CA -1.726 56.205 58.000 -0.115 0.000 0.952 536 F CB 1.157 40.088 39.000 -0.114 0.000 1.307 536 F HN -0.216 nan 8.300 nan 0.000 0.450 537 L N 4.697 125.959 121.223 0.064 0.000 2.504 537 L HA 0.791 5.071 4.340 -0.100 0.000 0.265 537 L C -1.318 175.516 176.870 -0.060 0.000 0.975 537 L CA -0.648 54.156 54.840 -0.060 0.000 0.864 537 L CB 1.411 43.376 42.059 -0.157 0.000 1.212 537 L HN 0.908 nan 8.230 nan 0.000 0.416 538 V N 2.537 122.352 119.914 -0.165 0.000 3.155 538 V HA 0.860 4.921 4.120 -0.100 0.000 0.313 538 V C -0.013 175.931 176.094 -0.250 0.000 1.162 538 V CA -0.506 61.648 62.300 -0.243 0.000 1.048 538 V CB 1.661 33.257 31.823 -0.378 0.000 1.092 538 V HN 0.671 nan 8.190 nan 0.000 0.447 539 V N -0.901 118.944 119.914 -0.114 0.000 2.904 539 V HA 0.857 4.917 4.120 -0.100 0.000 0.305 539 V C 0.685 176.845 176.094 0.109 0.000 1.067 539 V CA 0.304 62.592 62.300 -0.020 0.000 1.044 539 V CB 0.926 32.760 31.823 0.018 0.000 1.050 539 V HN 1.489 nan 8.190 nan 0.000 0.475 540 G N 3.444 112.320 108.800 0.127 0.000 2.404 540 G HA2 0.563 4.463 3.960 -0.100 0.000 0.316 540 G HA3 0.563 4.463 3.960 -0.100 0.000 0.316 540 G C -2.203 172.776 174.900 0.132 0.000 1.074 540 G CA -1.316 43.889 45.100 0.176 0.000 0.989 540 G HN 0.787 nan 8.290 nan 0.000 0.430 541 P HA 0.273 nan 4.420 nan 0.000 0.267 541 P C 0.888 178.283 177.300 0.158 0.000 1.200 541 P CA 1.015 64.221 63.100 0.177 0.000 0.772 541 P CB 1.760 33.605 31.700 0.241 0.000 0.855 542 G N 2.429 111.339 108.800 0.182 0.000 2.055 542 G HA2 0.031 3.931 3.960 -0.100 0.000 0.160 542 G HA3 0.031 3.931 3.960 -0.100 0.000 0.160 542 G C -0.726 174.301 174.900 0.212 0.000 1.087 542 G CA 0.054 45.267 45.100 0.188 0.000 1.269 542 G HN 0.763 nan 8.290 nan 0.000 0.461 543 I N -0.761 119.933 120.570 0.207 0.000 3.042 543 I HA 0.895 5.005 4.170 -0.100 0.000 0.310 543 I C 0.594 176.840 176.117 0.214 0.000 1.117 543 I CA -0.588 60.854 61.300 0.237 0.000 1.003 543 I CB 1.857 40.005 38.000 0.245 0.000 1.228 543 I HN 1.054 nan 8.210 nan 0.000 0.443 544 G N 1.678 110.623 108.800 0.241 0.000 2.531 544 G HA2 0.615 4.515 3.960 -0.100 0.000 0.281 544 G HA3 0.615 4.515 3.960 -0.100 0.000 0.281 544 G C -1.258 173.783 174.900 0.234 0.000 1.382 544 G CA -0.447 44.781 45.100 0.213 0.000 1.045 544 G HN 0.802 nan 8.290 nan 0.000 0.533 545 K N -0.923 119.616 120.400 0.232 0.000 2.525 545 K HA 0.400 4.660 4.320 -0.100 0.000 0.254 545 K C -1.111 175.606 176.600 0.195 0.000 0.934 545 K CA -0.542 55.871 56.287 0.210 0.000 0.802 545 K CB 1.929 34.548 32.500 0.198 0.000 1.295 545 K HN 0.530 nan 8.250 nan 0.000 0.433 546 Q N 4.961 124.866 119.800 0.174 0.000 2.322 546 Q HA 0.449 4.729 4.340 -0.100 0.000 0.265 546 Q C -0.683 175.377 176.000 0.101 0.000 0.985 546 Q CA -0.742 55.147 55.803 0.144 0.000 0.849 546 Q CB 1.015 29.852 28.738 0.165 0.000 1.274 546 Q HN 0.726 nan 8.270 nan 0.000 0.449 547 I N 3.152 123.760 120.570 0.063 0.000 2.598 547 I HA -0.062 4.048 4.170 -0.100 0.000 0.284 547 I C 1.287 177.425 176.117 0.035 0.000 1.140 547 I CA 0.227 61.546 61.300 0.032 0.000 1.420 547 I CB 1.053 39.046 38.000 -0.013 0.000 1.387 547 I HN 0.805 nan 8.210 nan 0.000 0.553 548 S N 2.473 118.193 115.700 0.032 0.000 2.486 548 S HA 0.055 4.465 4.470 -0.100 0.000 0.220 548 S C 0.733 175.344 174.600 0.018 0.000 1.011 548 S CA 0.025 58.244 58.200 0.033 0.000 0.921 548 S CB 0.370 63.590 63.200 0.035 0.000 0.785 548 S HN 0.739 nan 8.310 nan 0.000 0.517 549 T N -0.532 114.025 114.554 0.006 0.000 2.841 549 T HA 0.605 4.895 4.350 -0.100 0.000 0.296 549 T C -0.134 174.558 174.700 -0.013 0.000 1.166 549 T CA 0.498 62.598 62.100 -0.000 0.000 1.007 549 T CB 1.064 69.934 68.868 0.003 0.000 1.253 549 T HN 1.363 nan 8.240 nan 0.000 0.511 550 G N 1.880 110.671 108.800 -0.014 0.000 2.660 550 G HA2 -0.110 3.790 3.960 -0.100 0.000 0.247 550 G HA3 -0.110 3.790 3.960 -0.100 0.000 0.247 550 G C 0.355 175.234 174.900 -0.035 0.000 1.328 550 G CA 0.327 45.411 45.100 -0.026 0.000 0.884 550 G HN 0.660 nan 8.290 nan 0.000 0.531 551 E N 0.199 120.370 120.200 -0.048 0.000 2.204 551 E HA -0.092 4.198 4.350 -0.100 0.000 0.195 551 E C 1.924 178.485 176.600 -0.065 0.000 0.990 551 E CA 1.521 57.889 56.400 -0.054 0.000 0.821 551 E CB -0.170 29.492 29.700 -0.063 0.000 0.750 551 E HN 0.503 nan 8.360 nan 0.000 0.477 552 N N 0.145 118.797 118.700 -0.081 0.000 2.251 552 N HA 0.175 4.855 4.740 -0.100 0.000 0.217 552 N C -0.367 175.102 175.510 -0.068 0.000 1.124 552 N CA -0.041 52.951 53.050 -0.097 0.000 0.843 552 N CB 0.751 39.148 38.487 -0.151 0.000 1.024 552 N HN 0.001 nan 8.380 nan 0.000 0.501 553 A N 0.286 123.082 122.820 -0.040 0.000 2.567 553 A HA 0.409 4.669 4.320 -0.100 0.000 0.240 553 A C 1.584 179.166 177.584 -0.003 0.000 1.053 553 A CA 0.907 52.936 52.037 -0.012 0.000 0.755 553 A CB -0.416 18.585 19.000 0.001 0.000 0.978 553 A HN 0.489 nan 8.150 nan 0.000 0.507 554 G N 1.472 110.282 108.800 0.018 0.000 2.254 554 G HA2 -0.238 3.662 3.960 -0.100 0.000 0.225 554 G HA3 -0.238 3.662 3.960 -0.100 0.000 0.225 554 G C 0.561 175.451 174.900 -0.018 0.000 1.003 554 G CA 0.342 45.462 45.100 0.033 0.000 0.622 554 G HN 1.102 nan 8.290 nan 0.000 0.507 555 R N 0.662 121.137 120.500 -0.043 0.000 2.570 555 R HA 0.437 4.717 4.340 -0.100 0.000 0.277 555 R C -0.356 175.951 176.300 0.012 0.000 1.039 555 R CA -0.305 55.761 56.100 -0.055 0.000 1.065 555 R CB 0.081 30.328 30.300 -0.089 0.000 0.964 555 R HN 0.077 nan 8.270 nan 0.000 0.428 556 L N 5.666 126.893 121.223 0.007 0.000 2.289 556 L HA 0.456 4.736 4.340 -0.100 0.000 0.285 556 L C -0.714 176.303 176.870 0.245 0.000 1.049 556 L CA -0.413 54.493 54.840 0.109 0.000 0.804 556 L CB 1.413 43.482 42.059 0.017 0.000 1.195 556 L HN 0.579 nan 8.230 nan 0.000 0.428 557 L N 3.869 125.273 121.223 0.301 0.000 2.401 557 L HA 0.746 5.026 4.340 -0.100 0.000 0.266 557 L C -0.732 176.311 176.870 0.288 0.000 0.991 557 L CA -0.488 54.567 54.840 0.358 0.000 0.818 557 L CB 2.324 44.560 42.059 0.294 0.000 1.321 557 L HN 0.139 nan 8.230 nan 0.000 0.413 558 V N 2.963 123.018 119.914 0.235 0.000 2.577 558 V HA 0.521 4.581 4.120 -0.100 0.000 0.303 558 V C -2.294 173.852 176.094 0.088 0.000 1.042 558 V CA -1.470 60.832 62.300 0.003 0.000 0.872 558 V CB 2.300 33.833 31.823 -0.483 0.000 0.998 558 V HN 0.565 nan 8.190 nan 0.000 0.423 559 P HA 0.411 nan 4.420 nan 0.000 0.275 559 P C -1.358 175.838 177.300 -0.173 0.000 1.227 559 P CA -0.190 62.805 63.100 -0.174 0.000 0.781 559 P CB 1.767 33.397 31.700 -0.117 0.000 0.906 560 L N 3.298 124.357 121.223 -0.273 0.000 2.341 560 L HA 0.621 4.902 4.340 -0.100 0.000 0.254 560 L C -0.321 176.539 176.870 -0.016 0.000 1.040 560 L CA -1.008 53.775 54.840 -0.096 0.000 0.837 560 L CB 1.241 43.286 42.059 -0.023 0.000 1.425 560 L HN 0.523 nan 8.230 nan 0.000 0.414 561 Y N -1.679 118.601 120.300 -0.034 0.000 2.609 561 Y HA 0.861 5.351 4.550 -0.100 0.000 0.336 561 Y C -0.783 175.173 175.900 0.094 0.000 1.129 561 Y CA -0.983 57.117 58.100 0.001 0.000 1.040 561 Y CB 1.754 40.217 38.460 0.006 0.000 1.310 561 Y HN 0.616 nan 8.280 nan 0.000 0.460 562 S N 0.965 116.754 115.700 0.149 0.000 2.636 562 S HA 0.586 4.996 4.470 -0.100 0.000 0.268 562 S C -1.796 172.566 174.600 -0.398 0.000 1.159 562 S CA -1.215 56.862 58.200 -0.205 0.000 0.815 562 S CB 1.776 64.855 63.200 -0.201 0.000 1.130 562 S HN 0.870 nan 8.310 nan 0.000 0.471 563 K N 1.334 121.159 120.400 -0.958 0.000 2.414 563 K HA 0.760 5.020 4.320 -0.100 0.000 0.251 563 K C -0.222 176.150 176.600 -0.380 0.000 1.037 563 K CA 0.446 56.351 56.287 -0.637 0.000 0.980 563 K CB 0.059 32.058 32.500 -0.836 0.000 1.280 563 K HN 1.018 nan 8.250 nan 0.000 0.451 564 S N 0.688 116.271 115.700 -0.194 0.000 3.856 564 S HA 0.148 4.558 4.470 -0.100 0.000 0.290 564 S C 0.464 175.038 174.600 -0.044 0.000 1.095 564 S CA -0.208 57.929 58.200 -0.106 0.000 1.307 564 S CB 0.009 63.152 63.200 -0.095 0.000 1.721 564 S HN 0.141 nan 8.310 nan 0.000 0.462 565 S N 1.269 116.965 115.700 -0.007 0.000 2.447 565 S HA 0.531 4.941 4.470 -0.100 0.000 0.233 565 S C 0.755 175.365 174.600 0.017 0.000 1.006 565 S CA 0.865 59.072 58.200 0.012 0.000 0.957 565 S CB -0.563 62.655 63.200 0.031 0.000 0.773 565 S HN 1.120 nan 8.310 nan 0.000 0.507 566 A N 0.157 122.993 122.820 0.026 0.000 2.515 566 A HA 0.693 4.953 4.320 -0.100 0.000 0.296 566 A C 0.291 177.888 177.584 0.022 0.000 1.094 566 A CA -0.672 51.382 52.037 0.029 0.000 0.718 566 A CB 1.240 20.268 19.000 0.046 0.000 1.307 566 A HN 0.101 nan 8.150 nan 0.000 0.408 567 E N -0.269 119.943 120.200 0.019 0.000 2.067 567 E HA 0.118 4.408 4.350 -0.100 0.000 0.194 567 E C 0.020 176.647 176.600 0.046 0.000 0.950 567 E CA -0.089 56.334 56.400 0.039 0.000 0.872 567 E CB 0.010 29.723 29.700 0.023 0.000 0.877 567 E HN 0.536 nan 8.360 nan 0.000 0.470 568 L N 0.884 122.089 121.223 -0.029 0.000 2.416 568 L HA 0.361 4.642 4.340 -0.100 0.000 0.272 568 L C -0.028 176.738 176.870 -0.174 0.000 1.161 568 L CA 0.677 55.429 54.840 -0.147 0.000 0.845 568 L CB 1.053 42.976 42.059 -0.226 0.000 1.119 568 L HN 0.153 nan 8.230 nan 0.000 0.464 569 G N 2.943 111.547 108.800 -0.326 0.000 2.682 569 G HA2 0.684 4.584 3.960 -0.100 0.000 0.290 569 G HA3 0.684 4.584 3.960 -0.100 0.000 0.290 569 G C -1.885 172.710 174.900 -0.508 0.000 1.425 569 G CA -0.525 44.455 45.100 -0.200 0.000 0.807 569 G HN 0.431 nan 8.290 nan 0.000 0.482 570 F N -0.654 119.293 119.950 -0.006 0.000 2.645 570 F HA 0.702 5.169 4.527 -0.100 0.000 0.310 570 F C 0.107 175.975 175.800 0.113 0.000 1.102 570 F CA -0.922 57.116 58.000 0.063 0.000 0.952 570 F CB 2.578 41.646 39.000 0.114 0.000 1.326 570 F HN 0.612 nan 8.300 nan 0.000 0.456 571 M N 2.359 122.167 119.600 0.346 0.000 2.326 571 M HA 0.757 5.177 4.480 -0.100 0.000 0.306 571 M C -1.976 174.637 176.300 0.521 0.000 1.054 571 M CA -0.703 54.767 55.300 0.282 0.000 0.922 571 M CB 2.345 35.081 32.600 0.226 0.000 1.632 571 M HN 0.620 nan 8.290 nan 0.000 0.436 572 Y N -0.144 120.387 120.300 0.386 0.000 2.576 572 Y HA 0.893 5.383 4.550 -0.100 0.000 0.346 572 Y C -1.246 174.611 175.900 -0.071 0.000 1.018 572 Y CA -1.166 57.074 58.100 0.234 0.000 1.050 572 Y CB 1.680 40.193 38.460 0.089 0.000 1.280 572 Y HN 0.857 nan 8.280 nan 0.000 0.474 573 S N 0.715 116.273 115.700 -0.236 0.000 2.571 573 S HA 0.387 4.797 4.470 -0.100 0.000 0.284 573 S C -1.009 173.420 174.600 -0.285 0.000 1.128 573 S CA -0.634 57.202 58.200 -0.608 0.000 0.970 573 S CB 1.142 63.402 63.200 -1.568 0.000 1.039 573 S HN 0.796 nan 8.310 nan 0.000 0.485 574 D N 2.107 122.383 120.400 -0.206 0.000 2.398 574 D HA 0.126 4.707 4.640 -0.100 0.000 0.210 574 D C -0.146 175.964 176.300 -0.317 0.000 1.094 574 D CA 0.314 54.200 54.000 -0.190 0.000 0.839 574 D CB 0.441 41.202 40.800 -0.065 0.000 0.963 574 D HN 0.754 nan 8.370 nan 0.000 0.506 575 D N -0.990 119.214 120.400 -0.326 0.000 3.008 575 D HA 0.047 4.627 4.640 -0.100 0.000 0.312 575 D C -0.346 175.841 176.300 -0.188 0.000 1.361 575 D CA -0.843 53.004 54.000 -0.256 0.000 0.858 575 D CB -0.978 39.758 40.800 -0.105 0.000 1.098 575 D HN 0.011 nan 8.370 nan 0.000 0.482 576 H N -0.419 118.599 119.070 -0.086 0.000 2.741 576 H HA -0.105 4.391 4.556 -0.100 0.000 0.305 576 H C 1.521 176.873 175.328 0.040 0.000 1.169 576 H CA 1.028 57.075 56.048 -0.002 0.000 1.144 576 H CB -1.446 28.351 29.762 0.058 0.000 1.397 576 H HN 0.621 nan 8.280 nan 0.000 0.409 577 G N -1.147 107.530 108.800 -0.204 0.000 2.194 577 G HA2 -0.325 3.575 3.960 -0.100 0.000 0.236 577 G HA3 -0.325 3.575 3.960 -0.100 0.000 0.236 577 G C 0.912 175.861 174.900 0.083 0.000 0.987 577 G CA 0.412 45.420 45.100 -0.153 0.000 0.635 577 G HN 0.488 nan 8.290 nan 0.000 0.520 578 D N 0.724 121.130 120.400 0.009 0.000 2.144 578 D HA 0.040 4.620 4.640 -0.100 0.000 0.200 578 D C 1.015 177.365 176.300 0.083 0.000 0.978 578 D CA 1.061 55.119 54.000 0.096 0.000 0.833 578 D CB 0.081 40.919 40.800 0.063 0.000 0.961 578 D HN 0.530 nan 8.370 nan 0.000 0.470 579 N N -0.667 117.956 118.700 -0.129 0.000 2.235 579 N HA 0.222 4.902 4.740 -0.100 0.000 0.293 579 N C -1.317 173.992 175.510 -0.334 0.000 1.083 579 N CA -0.512 52.502 53.050 -0.059 0.000 0.801 579 N CB 1.816 40.289 38.487 -0.023 0.000 1.559 579 N HN -0.061 nan 8.380 nan 0.000 0.472 580 W N 0.145 121.501 121.300 0.092 0.000 2.761 580 W HA 0.466 5.066 4.660 -0.100 0.000 0.340 580 W C -0.140 176.392 176.519 0.022 0.000 1.072 580 W CA -0.380 57.013 57.345 0.080 0.000 1.215 580 W CB 1.686 31.300 29.460 0.256 0.000 1.420 580 W HN 0.131 nan 8.180 nan 0.000 0.519 581 T N 2.211 116.701 114.554 -0.107 0.000 2.824 581 T HA 0.236 4.526 4.350 -0.100 0.000 0.282 581 T C -1.564 172.870 174.700 -0.443 0.000 0.993 581 T CA -0.491 61.392 62.100 -0.361 0.000 0.967 581 T CB 0.803 69.197 68.868 -0.791 0.000 0.960 581 T HN 0.202 nan 8.240 nan 0.000 0.441 582 Y N 3.456 123.339 120.300 -0.694 0.000 2.299 582 Y HA 0.612 5.102 4.550 -0.100 0.000 0.326 582 Y C -0.919 174.838 175.900 -0.238 0.000 1.164 582 Y CA -0.922 56.741 58.100 -0.727 0.000 1.234 582 Y CB 0.718 38.449 38.460 -1.214 0.000 1.219 582 Y HN 0.376 nan 8.280 nan 0.000 0.497 583 V N 6.380 125.881 119.914 -0.687 0.000 2.577 583 V HA 0.267 4.327 4.120 -0.100 0.000 0.303 583 V C -0.847 174.873 176.094 -0.623 0.000 1.042 583 V CA -1.111 60.934 62.300 -0.425 0.000 0.872 583 V CB 1.800 33.699 31.823 0.128 0.000 0.998 583 V HN 0.745 nan 8.190 nan 0.000 0.423 584 E N 2.739 122.654 120.200 -0.476 0.000 2.229 584 E HA 0.475 4.765 4.350 -0.100 0.000 0.283 584 E C 0.473 177.076 176.600 0.004 0.000 1.030 584 E CA -0.114 56.140 56.400 -0.244 0.000 0.836 584 E CB 1.878 31.497 29.700 -0.135 0.000 1.068 584 E HN 0.799 nan 8.360 nan 0.000 0.401 585 A N 3.747 126.599 122.820 0.054 0.000 2.267 585 A HA 0.046 4.306 4.320 -0.100 0.000 0.213 585 A C 0.140 177.790 177.584 0.111 0.000 1.192 585 A CA 0.611 52.740 52.037 0.153 0.000 0.851 585 A CB -0.095 18.930 19.000 0.042 0.000 0.881 585 A HN 0.719 nan 8.150 nan 0.000 0.494 586 D N -2.809 117.622 120.400 0.052 0.000 2.838 586 D HA 0.237 4.817 4.640 -0.100 0.000 0.334 586 D C -0.570 175.746 176.300 0.027 0.000 1.315 586 D CA -0.196 53.828 54.000 0.042 0.000 0.917 586 D CB 0.019 40.834 40.800 0.024 0.000 1.435 586 D HN -0.060 nan 8.370 nan 0.000 0.517 587 N N -0.345 118.368 118.700 0.021 0.000 2.351 587 N HA 0.173 4.853 4.740 -0.100 0.000 0.254 587 N C -0.816 174.701 175.510 0.011 0.000 1.241 587 N CA -0.387 52.672 53.050 0.016 0.000 0.883 587 N CB -0.109 38.388 38.487 0.016 0.000 1.202 587 N HN 0.436 nan 8.380 nan 0.000 0.512 588 L N 1.012 122.240 121.223 0.009 0.000 2.367 588 L HA 0.265 4.545 4.340 -0.100 0.000 0.275 588 L C 1.232 178.103 176.870 0.001 0.000 1.129 588 L CA -0.107 54.736 54.840 0.005 0.000 0.839 588 L CB 1.174 43.235 42.059 0.003 0.000 1.133 588 L HN 0.244 nan 8.230 nan 0.000 0.453 589 T N -2.615 111.939 114.554 -0.001 0.000 3.054 589 T HA 0.064 4.354 4.350 -0.100 0.000 0.255 589 T C 1.522 176.216 174.700 -0.010 0.000 1.035 589 T CA 0.287 62.381 62.100 -0.010 0.000 0.941 589 T CB 0.479 69.343 68.868 -0.007 0.000 1.026 589 T HN 0.688 nan 8.240 nan 0.000 0.533 590 G N 1.506 110.309 108.800 0.005 0.000 2.471 590 G HA2 0.328 4.228 3.960 -0.100 0.000 0.219 590 G HA3 0.328 4.228 3.960 -0.100 0.000 0.219 590 G C 1.361 176.283 174.900 0.036 0.000 1.125 590 G CA 0.121 45.234 45.100 0.020 0.000 0.775 590 G HN 1.281 nan 8.290 nan 0.000 0.548 591 G N -0.584 108.230 108.800 0.023 0.000 2.246 591 G HA2 0.126 4.026 3.960 -0.100 0.000 0.273 591 G HA3 0.126 4.026 3.960 -0.100 0.000 0.273 591 G C 0.499 175.521 174.900 0.203 0.000 1.055 591 G CA 0.419 45.553 45.100 0.057 0.000 0.851 591 G HN 1.310 nan 8.290 nan 0.000 0.500 592 A N -0.521 122.376 122.820 0.128 0.000 2.386 592 A HA 0.660 4.920 4.320 -0.100 0.000 0.246 592 A C 1.113 178.742 177.584 0.074 0.000 1.089 592 A CA 0.922 53.019 52.037 0.099 0.000 0.790 592 A CB 0.327 19.340 19.000 0.023 0.000 1.042 592 A HN 0.930 nan 8.150 nan 0.000 0.497 593 T N 2.058 116.589 114.554 -0.039 0.000 3.781 593 T HA 0.353 4.643 4.350 -0.100 0.000 0.286 593 T C 0.616 174.957 174.700 -0.599 0.000 1.277 593 T CA 0.633 62.516 62.100 -0.362 0.000 1.136 593 T CB -0.535 68.248 68.868 -0.142 0.000 1.202 593 T HN 0.834 nan 8.240 nan 0.000 0.884 594 A N 3.211 125.623 122.820 -0.680 0.000 3.135 594 A HA 0.237 4.497 4.320 -0.100 0.000 0.253 594 A C 0.581 177.883 177.584 -0.470 0.000 1.638 594 A CA -0.570 51.211 52.037 -0.427 0.000 1.295 594 A CB -0.448 18.441 19.000 -0.184 0.000 1.106 594 A HN 0.692 nan 8.150 nan 0.000 0.648 595 E N 0.764 120.645 120.200 -0.531 0.000 2.376 595 E HA 0.419 4.709 4.350 -0.100 0.000 0.266 595 E C 0.289 176.793 176.600 -0.160 0.000 1.009 595 E CA 0.338 56.582 56.400 -0.260 0.000 0.902 595 E CB 0.801 30.372 29.700 -0.216 0.000 0.972 595 E HN 0.623 nan 8.360 nan 0.000 0.439 596 A N 3.391 126.156 122.820 -0.092 0.000 2.527 596 A HA 0.566 4.826 4.320 -0.100 0.000 0.293 596 A C -1.161 176.429 177.584 0.009 0.000 1.117 596 A CA -0.839 51.157 52.037 -0.067 0.000 0.723 596 A CB 1.812 20.725 19.000 -0.145 0.000 1.313 596 A HN 0.452 nan 8.150 nan 0.000 0.411 597 Q N 0.163 120.010 119.800 0.079 0.000 2.359 597 Q HA 0.549 4.829 4.340 -0.100 0.000 0.274 597 Q C -1.417 174.709 176.000 0.211 0.000 1.074 597 Q CA -0.270 55.619 55.803 0.144 0.000 0.810 597 Q CB 2.210 31.035 28.738 0.144 0.000 1.342 597 Q HN 0.688 nan 8.270 nan 0.000 0.427 598 I N 0.794 121.504 120.570 0.233 0.000 2.412 598 I HA 0.577 4.687 4.170 -0.100 0.000 0.296 598 I C -0.194 176.071 176.117 0.248 0.000 0.987 598 I CA -1.032 60.424 61.300 0.260 0.000 1.180 598 I CB 1.856 40.023 38.000 0.280 0.000 1.340 598 I HN 0.106 nan 8.210 nan 0.000 0.455 599 V N 5.275 125.342 119.914 0.255 0.000 2.789 599 V HA 0.327 4.387 4.120 -0.100 0.000 0.311 599 V C -0.567 175.620 176.094 0.155 0.000 1.073 599 V CA -0.484 61.947 62.300 0.219 0.000 0.921 599 V CB 2.462 34.454 31.823 0.281 0.000 1.009 599 V HN 0.805 nan 8.190 nan 0.000 0.426 600 E N 4.649 124.909 120.200 0.100 0.000 2.216 600 E HA 0.461 4.751 4.350 -0.100 0.000 0.279 600 E C -0.710 175.867 176.600 -0.037 0.000 0.997 600 E CA -0.744 55.677 56.400 0.036 0.000 0.817 600 E CB 1.188 30.908 29.700 0.034 0.000 1.096 600 E HN 0.506 nan 8.360 nan 0.000 0.393 601 M N 3.989 123.523 119.600 -0.111 0.000 2.283 601 M HA 0.215 4.635 4.480 -0.100 0.000 0.314 601 M C -1.747 174.394 176.300 -0.265 0.000 1.153 601 M CA -2.383 52.723 55.300 -0.323 0.000 1.084 601 M CB -0.029 32.273 32.600 -0.497 0.000 1.468 601 M HN 0.363 nan 8.290 nan 0.000 0.474 602 P HA -0.188 nan 4.420 nan 0.000 0.216 602 P C 0.398 177.691 177.300 -0.011 0.000 1.150 602 P CA 1.481 64.505 63.100 -0.126 0.000 0.843 602 P CB -0.008 31.647 31.700 -0.075 0.000 0.787 603 D N -2.615 117.819 120.400 0.057 0.000 2.340 603 D HA 0.111 4.691 4.640 -0.100 0.000 0.220 603 D C 1.397 177.715 176.300 0.029 0.000 1.039 603 D CA 0.606 54.657 54.000 0.084 0.000 0.866 603 D CB -0.726 40.169 40.800 0.158 0.000 0.913 603 D HN 0.249 nan 8.370 nan 0.000 0.523 604 G N 0.104 108.902 108.800 -0.004 0.000 2.195 604 G HA2 -0.273 3.627 3.960 -0.100 0.000 0.224 604 G HA3 -0.273 3.627 3.960 -0.100 0.000 0.224 604 G C 0.470 175.345 174.900 -0.042 0.000 0.990 604 G CA 0.257 45.343 45.100 -0.023 0.000 0.639 604 G HN 0.773 nan 8.290 nan 0.000 0.514 605 S N 0.010 115.697 115.700 -0.023 0.000 2.596 605 S HA 0.727 5.137 4.470 -0.100 0.000 0.260 605 S C 0.203 174.769 174.600 -0.057 0.000 1.336 605 S CA -0.174 57.994 58.200 -0.053 0.000 0.993 605 S CB 1.521 64.730 63.200 0.016 0.000 0.923 605 S HN 0.835 nan 8.310 nan 0.000 0.567 606 L N 0.417 121.584 121.223 -0.093 0.000 2.354 606 L HA 0.608 4.888 4.340 -0.100 0.000 0.269 606 L C -0.154 176.775 176.870 0.099 0.000 1.005 606 L CA -0.749 54.096 54.840 0.009 0.000 0.819 606 L CB 1.924 44.004 42.059 0.035 0.000 1.311 606 L HN 0.645 nan 8.230 nan 0.000 0.423 607 K N 1.194 121.691 120.400 0.162 0.000 2.376 607 K HA 0.561 4.821 4.320 -0.100 0.000 0.257 607 K C -1.174 175.490 176.600 0.107 0.000 0.939 607 K CA -0.562 55.794 56.287 0.115 0.000 0.809 607 K CB 2.394 34.920 32.500 0.043 0.000 1.121 607 K HN 0.496 nan 8.250 nan 0.000 0.425 608 T N 2.603 117.178 114.554 0.035 0.000 2.779 608 T HA 0.375 4.665 4.350 -0.100 0.000 0.280 608 T C -1.059 173.501 174.700 -0.233 0.000 0.987 608 T CA -0.460 61.633 62.100 -0.011 0.000 0.966 608 T CB 0.290 69.124 68.868 -0.056 0.000 0.933 608 T HN 0.248 nan 8.240 nan 0.000 0.442 609 Y N 3.420 123.763 120.300 0.071 0.000 2.360 609 Y HA 0.690 5.180 4.550 -0.099 0.000 0.337 609 Y C 0.203 176.077 175.900 -0.043 0.000 1.039 609 Y CA -1.172 56.939 58.100 0.017 0.000 1.109 609 Y CB 1.096 39.569 38.460 0.023 0.000 1.201 609 Y HN 0.518 nan 8.280 nan 0.000 0.458 610 L N 0.621 121.863 121.223 0.031 0.000 2.415 610 L HA 0.750 5.030 4.340 -0.100 0.000 0.256 610 L C -0.734 176.078 176.870 -0.096 0.000 1.010 610 L CA -1.456 53.349 54.840 -0.059 0.000 0.826 610 L CB 2.114 44.106 42.059 -0.112 0.000 1.405 610 L HN 0.537 nan 8.230 nan 0.000 0.410 611 R N 0.725 121.137 120.500 -0.147 0.000 2.539 611 R HA 0.667 4.947 4.340 -0.100 0.000 0.275 611 R C -0.503 175.697 176.300 -0.167 0.000 1.077 611 R CA 0.525 56.520 56.100 -0.175 0.000 1.097 611 R CB 1.126 31.296 30.300 -0.216 0.000 1.018 611 R HN 1.002 nan 8.270 nan 0.000 0.483 612 T N -0.665 113.797 114.554 -0.153 0.000 2.831 612 T HA 0.431 4.721 4.350 -0.100 0.000 0.287 612 T C 0.717 175.347 174.700 -0.117 0.000 1.070 612 T CA -0.516 61.510 62.100 -0.123 0.000 1.010 612 T CB 1.594 70.403 68.868 -0.097 0.000 1.264 612 T HN 0.526 nan 8.240 nan 0.000 0.532 613 G N 0.163 108.916 108.800 -0.078 0.000 3.141 613 G HA2 0.431 4.331 3.960 -0.100 0.000 0.218 613 G HA3 0.431 4.331 3.960 -0.100 0.000 0.218 613 G C 0.196 175.062 174.900 -0.058 0.000 1.170 613 G CA -0.316 44.753 45.100 -0.053 0.000 0.769 613 G HN 0.718 nan 8.290 nan 0.000 0.546 614 S N -0.607 115.046 115.700 -0.079 0.000 2.739 614 S HA 0.259 4.669 4.470 -0.100 0.000 0.306 614 S C 0.223 174.755 174.600 -0.114 0.000 1.115 614 S CA -0.698 57.456 58.200 -0.077 0.000 0.985 614 S CB 1.219 64.383 63.200 -0.061 0.000 1.133 614 S HN 0.119 nan 8.310 nan 0.000 0.541 615 N N 0.837 119.474 118.700 -0.106 0.000 2.542 615 N HA 0.206 4.886 4.740 -0.100 0.000 0.234 615 N C -0.484 174.944 175.510 -0.136 0.000 1.257 615 N CA -0.025 52.945 53.050 -0.132 0.000 0.883 615 N CB -0.681 37.742 38.487 -0.107 0.000 1.197 615 N HN 0.603 nan 8.380 nan 0.000 0.488 616 C N -2.607 116.610 119.300 -0.139 0.000 3.311 616 C HA 0.543 4.943 4.460 -0.100 0.000 0.325 616 C C -0.391 174.513 174.990 -0.142 0.000 1.352 616 C CA -1.710 57.223 59.018 -0.141 0.000 1.308 616 C CB 0.386 28.059 27.740 -0.111 0.000 1.619 616 C HN 0.038 nan 8.230 nan 0.000 0.469 617 I N 2.334 122.813 120.570 -0.153 0.000 2.365 617 I HA 0.575 4.685 4.170 -0.100 0.000 0.291 617 I C 0.842 176.920 176.117 -0.065 0.000 1.004 617 I CA 0.108 61.332 61.300 -0.127 0.000 1.311 617 I CB 1.473 39.370 38.000 -0.173 0.000 1.401 617 I HN 1.015 nan 8.210 nan 0.000 0.491 618 A N 5.948 128.742 122.820 -0.042 0.000 2.294 618 A HA 0.603 4.863 4.320 -0.100 0.000 0.330 618 A C -0.544 177.028 177.584 -0.021 0.000 1.133 618 A CA -0.466 51.555 52.037 -0.027 0.000 0.836 618 A CB 1.233 20.206 19.000 -0.046 0.000 1.190 618 A HN 0.753 nan 8.150 nan 0.000 0.492 619 E N 0.384 120.552 120.200 -0.053 0.000 2.248 619 E HA 0.573 4.863 4.350 -0.100 0.000 0.267 619 E C -1.414 175.127 176.600 -0.099 0.000 0.877 619 E CA -0.657 55.623 56.400 -0.199 0.000 0.759 619 E CB 1.814 31.421 29.700 -0.156 0.000 1.182 619 E HN 0.733 nan 8.360 nan 0.000 0.418 620 V N 0.462 120.326 119.914 -0.082 0.000 2.876 620 V HA 0.733 4.793 4.120 -0.100 0.000 0.312 620 V C -0.549 175.683 176.094 0.229 0.000 1.085 620 V CA -0.587 61.776 62.300 0.106 0.000 0.945 620 V CB 1.790 33.719 31.823 0.177 0.000 1.017 620 V HN 0.637 nan 8.190 nan 0.000 0.428 621 T N 2.323 117.023 114.554 0.244 0.000 2.893 621 T HA 0.710 5.000 4.350 -0.100 0.000 0.291 621 T C -0.551 174.088 174.700 -0.103 0.000 1.028 621 T CA -0.473 61.704 62.100 0.128 0.000 0.995 621 T CB 1.677 70.567 68.868 0.037 0.000 1.051 621 T HN 1.042 nan 8.240 nan 0.000 0.470 622 S N 1.308 116.737 115.700 -0.451 0.000 2.557 622 S HA 0.546 4.956 4.470 -0.100 0.000 0.291 622 S C 0.052 174.365 174.600 -0.479 0.000 1.116 622 S CA -0.754 56.942 58.200 -0.840 0.000 0.992 622 S CB 0.458 62.506 63.200 -1.921 0.000 1.028 622 S HN 0.549 nan 8.310 nan 0.000 0.484 623 I N 3.473 123.818 120.570 -0.375 0.000 4.082 623 I HA 0.239 4.349 4.170 -0.100 0.000 0.337 623 I C 0.233 176.201 176.117 -0.249 0.000 1.352 623 I CA 0.236 61.394 61.300 -0.238 0.000 1.097 623 I CB -0.201 37.703 38.000 -0.160 0.000 1.048 623 I HN 0.663 nan 8.210 nan 0.000 0.393 624 D N 0.072 120.266 120.400 -0.343 0.000 2.891 624 D HA 0.280 4.860 4.640 -0.100 0.000 0.332 624 D C 1.143 177.226 176.300 -0.362 0.000 1.369 624 D CA -0.422 53.397 54.000 -0.303 0.000 0.827 624 D CB 0.075 40.714 40.800 -0.269 0.000 1.141 624 D HN 0.207 nan 8.370 nan 0.000 0.464 625 G N 0.016 108.600 108.800 -0.360 0.000 2.249 625 G HA2 -0.050 3.850 3.960 -0.100 0.000 0.273 625 G HA3 -0.050 3.850 3.960 -0.100 0.000 0.273 625 G C 1.173 175.799 174.900 -0.457 0.000 1.036 625 G CA 0.446 45.330 45.100 -0.359 0.000 0.824 625 G HN 1.506 nan 8.290 nan 0.000 0.504 626 G N -1.409 107.017 108.800 -0.623 0.000 2.157 626 G HA2 -0.273 3.627 3.960 -0.100 0.000 0.248 626 G HA3 -0.273 3.627 3.960 -0.100 0.000 0.248 626 G C 0.808 175.466 174.900 -0.405 0.000 0.979 626 G CA 1.196 45.927 45.100 -0.615 0.000 0.650 626 G HN 0.778 nan 8.290 nan 0.000 0.529 627 E N -0.170 119.758 120.200 -0.453 0.000 2.158 627 E HA 0.131 4.421 4.350 -0.100 0.000 0.191 627 E C 1.334 177.832 176.600 -0.170 0.000 0.982 627 E CA 1.311 57.571 56.400 -0.234 0.000 0.823 627 E CB 0.128 29.689 29.700 -0.231 0.000 0.766 627 E HN 0.735 nan 8.360 nan 0.000 0.468 628 T N -2.171 112.156 114.554 -0.378 0.000 2.909 628 T HA 0.510 4.800 4.350 -0.100 0.000 0.299 628 T C -1.404 172.971 174.700 -0.542 0.000 1.073 628 T CA -0.937 61.015 62.100 -0.246 0.000 0.999 628 T CB 1.167 69.940 68.868 -0.159 0.000 1.098 628 T HN 0.047 nan 8.240 nan 0.000 0.477 629 W N 1.290 122.551 121.300 -0.064 0.000 2.844 629 W HA 0.633 5.233 4.660 -0.100 0.000 0.340 629 W C 0.565 177.066 176.519 -0.030 0.000 1.093 629 W CA -0.728 56.587 57.345 -0.051 0.000 1.212 629 W CB 2.015 31.476 29.460 0.001 0.000 1.422 629 W HN 1.001 nan 8.180 nan 0.000 0.515 630 S N 0.336 116.145 115.700 0.182 0.000 2.634 630 S HA 0.280 4.690 4.470 -0.100 0.000 0.261 630 S C -0.135 174.534 174.600 0.116 0.000 1.271 630 S CA -0.741 57.520 58.200 0.101 0.000 0.985 630 S CB 0.651 63.885 63.200 0.057 0.000 0.968 630 S HN 0.392 nan 8.310 nan 0.000 0.568 631 D N 0.723 121.163 120.400 0.066 0.000 2.357 631 D HA 0.194 4.774 4.640 -0.100 0.000 0.242 631 D C 0.228 176.554 176.300 0.042 0.000 1.153 631 D CA 0.032 54.063 54.000 0.051 0.000 0.918 631 D CB 0.307 41.125 40.800 0.029 0.000 1.181 631 D HN 0.439 nan 8.370 nan 0.000 0.435 632 R N 0.197 120.712 120.500 0.026 0.000 2.537 632 R HA 0.298 4.578 4.340 -0.100 0.000 0.280 632 R C -0.550 175.753 176.300 0.005 0.000 1.058 632 R CA -0.151 55.953 56.100 0.008 0.000 1.057 632 R CB 0.503 30.797 30.300 -0.010 0.000 0.973 632 R HN 0.117 nan 8.270 nan 0.000 0.438 633 V N 5.681 125.597 119.914 0.003 0.000 2.531 633 V HA 0.269 4.329 4.120 -0.100 0.000 0.301 633 V C -2.185 173.913 176.094 0.006 0.000 1.034 633 V CA -2.382 59.923 62.300 0.008 0.000 0.865 633 V CB 2.078 33.915 31.823 0.022 0.000 0.995 633 V HN 0.655 nan 8.190 nan 0.000 0.424 634 P HA 0.087 nan 4.420 nan 0.000 0.268 634 P C -0.614 176.685 177.300 -0.002 0.000 1.204 634 P CA -0.281 62.808 63.100 -0.019 0.000 0.768 634 P CB 0.430 32.112 31.700 -0.031 0.000 0.842 635 L N 4.225 125.434 121.223 -0.024 0.000 2.385 635 L HA 0.207 4.487 4.340 -0.100 0.000 0.285 635 L C 0.070 176.872 176.870 -0.115 0.000 1.125 635 L CA -0.327 54.496 54.840 -0.028 0.000 0.890 635 L CB -0.754 41.248 42.059 -0.095 0.000 1.251 635 L HN 0.252 nan 8.230 nan 0.000 0.445 636 Q N 3.633 123.408 119.800 -0.041 0.000 2.263 636 Q HA 0.420 4.700 4.340 -0.100 0.000 0.289 636 Q C 1.212 177.147 176.000 -0.108 0.000 1.061 636 Q CA 1.476 57.247 55.803 -0.053 0.000 0.927 636 Q CB 0.493 29.235 28.738 0.007 0.000 1.154 636 Q HN 0.955 nan 8.270 nan 0.000 0.378 637 G N 3.396 112.118 108.800 -0.131 0.000 2.217 637 G HA2 -0.240 3.660 3.960 -0.100 0.000 0.246 637 G HA3 -0.240 3.660 3.960 -0.100 0.000 0.246 637 G C 0.120 174.833 174.900 -0.312 0.000 0.990 637 G CA 0.044 45.053 45.100 -0.152 0.000 0.627 637 G HN 0.563 nan 8.290 nan 0.000 0.522 638 I N 2.957 123.236 120.570 -0.485 0.000 2.347 638 I HA 0.317 4.427 4.170 -0.100 0.000 0.283 638 I C 0.439 176.337 176.117 -0.365 0.000 1.058 638 I CA -0.542 60.358 61.300 -0.667 0.000 1.202 638 I CB 1.298 38.619 38.000 -1.132 0.000 1.386 638 I HN 0.083 nan 8.210 nan 0.000 0.475 639 S N 3.978 119.553 115.700 -0.207 0.000 2.579 639 S HA 0.390 4.800 4.470 -0.100 0.000 0.275 639 S C 0.220 174.721 174.600 -0.165 0.000 1.345 639 S CA -0.189 57.921 58.200 -0.150 0.000 1.031 639 S CB 1.660 64.810 63.200 -0.083 0.000 0.892 639 S HN 0.738 nan 8.310 nan 0.000 0.529 640 T N 0.014 114.463 114.554 -0.174 0.000 2.665 640 T HA 0.570 4.860 4.350 -0.100 0.000 0.303 640 T C -0.675 173.873 174.700 -0.254 0.000 1.334 640 T CA -0.456 61.517 62.100 -0.211 0.000 1.011 640 T CB 0.805 69.532 68.868 -0.234 0.000 1.573 640 T HN 0.778 nan 8.240 nan 0.000 0.492 641 T N -0.229 114.094 114.554 -0.386 0.000 2.897 641 T HA 0.479 4.769 4.350 -0.100 0.000 0.278 641 T C 1.636 176.017 174.700 -0.531 0.000 0.981 641 T CA 0.213 61.975 62.100 -0.564 0.000 0.973 641 T CB 0.984 69.170 68.868 -1.136 0.000 1.092 641 T HN 0.724 nan 8.240 nan 0.000 0.543 642 S N 0.489 115.901 115.700 -0.480 0.000 2.357 642 S HA -0.153 4.257 4.470 -0.100 0.000 0.221 642 S C 1.989 176.430 174.600 -0.265 0.000 1.031 642 S CA 1.009 59.054 58.200 -0.258 0.000 0.982 642 S CB -1.251 61.900 63.200 -0.083 0.000 0.853 642 S HN 0.900 nan 8.310 nan 0.000 0.458 643 Y N 1.933 122.085 120.300 -0.248 0.000 2.373 643 Y HA 0.441 4.931 4.550 -0.101 0.000 0.293 643 Y C 1.387 177.038 175.900 -0.414 0.000 1.129 643 Y CA -0.667 57.210 58.100 -0.371 0.000 1.226 643 Y CB -1.347 36.702 38.460 -0.685 0.000 1.000 643 Y HN 0.536 nan 8.280 nan 0.000 0.549 644 G N -0.033 108.373 108.800 -0.657 0.000 2.829 644 G HA2 0.036 3.936 3.960 -0.100 0.000 0.628 644 G HA3 0.036 3.936 3.960 -0.100 0.000 0.628 644 G C -0.711 174.004 174.900 -0.307 0.000 1.412 644 G CA -0.319 44.521 45.100 -0.434 0.000 0.864 644 G HN 0.534 nan 8.290 nan 0.000 0.544 645 T N 0.637 115.059 114.554 -0.221 0.000 2.923 645 T HA 0.513 4.803 4.350 -0.100 0.000 0.311 645 T C -0.039 174.496 174.700 -0.274 0.000 1.183 645 T CA -0.336 61.682 62.100 -0.137 0.000 1.020 645 T CB 1.885 70.731 68.868 -0.037 0.000 1.165 645 T HN 0.906 nan 8.240 nan 0.000 0.482 646 Q N 2.082 121.527 119.800 -0.591 0.000 2.428 646 Q HA 0.269 4.550 4.340 -0.100 0.000 0.276 646 Q C -1.025 174.767 176.000 -0.347 0.000 1.059 646 Q CA 0.082 55.491 55.803 -0.656 0.000 0.923 646 Q CB 0.322 28.223 28.738 -1.395 0.000 1.283 646 Q HN 0.614 nan 8.270 nan 0.000 0.447 647 L N -0.391 120.714 121.223 -0.197 0.000 2.283 647 L HA 0.756 5.036 4.340 -0.100 0.000 0.259 647 L C -0.675 176.191 176.870 -0.007 0.000 1.027 647 L CA -0.841 53.952 54.840 -0.077 0.000 0.828 647 L CB 1.862 43.869 42.059 -0.086 0.000 1.380 647 L HN 0.439 nan 8.230 nan 0.000 0.425 648 S N 0.257 115.987 115.700 0.050 0.000 2.561 648 S HA 0.839 5.249 4.470 -0.100 0.000 0.303 648 S C -1.451 173.210 174.600 0.102 0.000 1.110 648 S CA -0.476 57.784 58.200 0.100 0.000 1.034 648 S CB 1.530 64.817 63.200 0.145 0.000 1.010 648 S HN 1.001 nan 8.310 nan 0.000 0.482 649 V N 7.357 127.349 119.914 0.130 0.000 2.623 649 V HA 0.780 4.840 4.120 -0.100 0.000 0.304 649 V C -0.965 175.242 176.094 0.189 0.000 1.054 649 V CA -0.740 61.647 62.300 0.144 0.000 0.882 649 V CB 1.428 33.322 31.823 0.118 0.000 1.002 649 V HN 0.909 nan 8.190 nan 0.000 0.424 650 I N 2.812 123.499 120.570 0.194 0.000 2.969 650 I HA 0.673 4.783 4.170 -0.100 0.000 0.307 650 I C -0.539 175.698 176.117 0.199 0.000 1.149 650 I CA -1.004 60.416 61.300 0.200 0.000 1.008 650 I CB 2.461 40.586 38.000 0.208 0.000 1.232 650 I HN 0.513 nan 8.210 nan 0.000 0.435 651 N N 1.720 120.529 118.700 0.181 0.000 2.530 651 N HA 0.340 5.021 4.740 -0.100 0.000 0.277 651 N C -1.627 174.004 175.510 0.202 0.000 1.168 651 N CA -0.204 52.942 53.050 0.161 0.000 0.979 651 N CB 0.738 39.293 38.487 0.114 0.000 1.141 651 N HN 0.554 nan 8.380 nan 0.000 0.459 652 Y N 0.766 121.103 120.300 0.061 0.000 2.377 652 Y HA 0.216 4.706 4.550 -0.100 0.000 0.339 652 Y C 1.321 177.246 175.900 0.042 0.000 1.011 652 Y CA -0.784 57.349 58.100 0.056 0.000 1.093 652 Y CB 1.213 39.701 38.460 0.047 0.000 1.201 652 Y HN 0.685 nan 8.280 nan 0.000 0.455 653 S N 2.667 118.076 115.700 -0.485 0.000 2.423 653 S HA -0.012 4.398 4.470 -0.100 0.000 0.231 653 S C 0.277 174.751 174.600 -0.209 0.000 1.014 653 S CA 0.666 58.689 58.200 -0.295 0.000 0.965 653 S CB -0.074 62.962 63.200 -0.274 0.000 0.785 653 S HN 0.666 nan 8.310 nan 0.000 0.495 654 Q N 1.800 121.443 119.800 -0.262 0.000 2.301 654 Q HA 0.564 4.844 4.340 -0.100 0.000 0.267 654 Q C -2.741 173.360 176.000 0.169 0.000 1.035 654 Q CA -2.543 53.259 55.803 -0.003 0.000 0.856 654 Q CB 1.282 30.044 28.738 0.039 0.000 1.337 654 Q HN 0.258 nan 8.270 nan 0.000 0.450 655 P HA 0.315 nan 4.420 nan 0.000 0.274 655 P C -0.554 176.820 177.300 0.124 0.000 1.231 655 P CA -0.122 63.045 63.100 0.112 0.000 0.790 655 P CB 0.933 32.672 31.700 0.066 0.000 0.951 656 I N 1.528 122.155 120.570 0.095 0.000 2.436 656 I HA 0.139 4.249 4.170 -0.100 0.000 0.289 656 I C 0.012 176.171 176.117 0.071 0.000 1.010 656 I CA -0.449 60.888 61.300 0.061 0.000 1.098 656 I CB 1.226 39.238 38.000 0.020 0.000 1.266 656 I HN 0.341 nan 8.210 nan 0.000 0.434 657 D N 4.960 125.399 120.400 0.065 0.000 2.911 657 D HA -0.192 4.388 4.640 -0.100 0.000 0.227 657 D C 1.098 177.430 176.300 0.054 0.000 1.164 657 D CA 1.738 55.781 54.000 0.072 0.000 0.782 657 D CB -1.042 39.824 40.800 0.111 0.000 1.094 657 D HN 1.146 nan 8.370 nan 0.000 0.425 658 G N -0.863 107.967 108.800 0.049 0.000 2.162 658 G HA2 -0.362 3.538 3.960 -0.100 0.000 0.260 658 G HA3 -0.362 3.538 3.960 -0.100 0.000 0.260 658 G C 0.252 175.175 174.900 0.039 0.000 0.976 658 G CA 0.889 46.014 45.100 0.041 0.000 0.655 658 G HN 0.518 nan 8.290 nan 0.000 0.533 659 K N 0.095 120.520 120.400 0.043 0.000 2.340 659 K HA 0.549 4.809 4.320 -0.100 0.000 0.244 659 K C -2.910 173.712 176.600 0.036 0.000 0.973 659 K CA -2.374 53.934 56.287 0.034 0.000 0.828 659 K CB 2.283 34.797 32.500 0.022 0.000 1.226 659 K HN -0.097 nan 8.250 nan 0.000 0.437 660 P HA 0.046 nan 4.420 nan 0.000 0.268 660 P C -1.407 175.899 177.300 0.010 0.000 1.205 660 P CA 0.027 63.136 63.100 0.014 0.000 0.771 660 P CB 0.818 32.501 31.700 -0.029 0.000 0.858 661 A N 3.324 126.175 122.820 0.052 0.000 2.454 661 A HA 0.837 5.097 4.320 -0.100 0.000 0.302 661 A C -0.605 177.021 177.584 0.070 0.000 1.079 661 A CA -0.747 51.313 52.037 0.037 0.000 0.731 661 A CB 0.999 20.036 19.000 0.061 0.000 1.299 661 A HN 0.575 nan 8.150 nan 0.000 0.413 662 I N -1.264 119.316 120.570 0.016 0.000 2.785 662 I HA 0.803 4.913 4.170 -0.100 0.000 0.302 662 I C -1.174 175.027 176.117 0.139 0.000 1.069 662 I CA -1.069 60.282 61.300 0.086 0.000 1.045 662 I CB 2.054 40.096 38.000 0.070 0.000 1.236 662 I HN 0.476 nan 8.210 nan 0.000 0.429 663 I N 4.854 125.544 120.570 0.201 0.000 2.498 663 I HA 0.495 4.605 4.170 -0.100 0.000 0.290 663 I C -0.999 175.260 176.117 0.237 0.000 1.032 663 I CA -0.643 60.791 61.300 0.225 0.000 1.073 663 I CB 2.302 40.382 38.000 0.133 0.000 1.251 663 I HN 0.521 nan 8.210 nan 0.000 0.426 664 L N 5.057 126.439 121.223 0.265 0.000 2.362 664 L HA 0.685 4.965 4.340 -0.100 0.000 0.271 664 L C -0.529 176.426 176.870 0.142 0.000 1.002 664 L CA -0.081 54.822 54.840 0.106 0.000 0.818 664 L CB 2.029 43.966 42.059 -0.203 0.000 1.298 664 L HN 0.666 nan 8.230 nan 0.000 0.420 665 S N 2.753 118.518 115.700 0.107 0.000 2.532 665 S HA 0.877 5.287 4.470 -0.100 0.000 0.299 665 S C -1.109 173.569 174.600 0.131 0.000 1.105 665 S CA -0.249 58.043 58.200 0.153 0.000 1.018 665 S CB 1.475 64.800 63.200 0.208 0.000 1.021 665 S HN 0.748 nan 8.310 nan 0.000 0.483 666 S N 3.386 119.154 115.700 0.113 0.000 2.586 666 S HA 0.497 4.907 4.470 -0.100 0.000 0.277 666 S C -3.104 171.471 174.600 -0.040 0.000 1.131 666 S CA -0.760 57.487 58.200 0.079 0.000 0.848 666 S CB 1.987 65.159 63.200 -0.048 0.000 1.091 666 S HN 0.680 nan 8.310 nan 0.000 0.453 667 P HA 0.290 nan 4.420 nan 0.000 0.275 667 P C -0.223 177.038 177.300 -0.066 0.000 1.227 667 P CA -0.023 63.051 63.100 -0.044 0.000 0.781 667 P CB 0.498 32.270 31.700 0.120 0.000 0.906 668 N N 1.302 119.958 118.700 -0.074 0.000 2.299 668 N HA 0.092 4.772 4.740 -0.100 0.000 0.187 668 N C 0.385 175.869 175.510 -0.043 0.000 1.099 668 N CA -0.204 52.829 53.050 -0.030 0.000 0.867 668 N CB -0.001 38.503 38.487 0.027 0.000 0.974 668 N HN 0.437 nan 8.380 nan 0.000 0.477 669 A N -0.583 122.210 122.820 -0.045 0.000 2.425 669 A HA 0.246 4.506 4.320 -0.100 0.000 0.242 669 A C 1.277 178.816 177.584 -0.075 0.000 1.077 669 A CA 0.281 52.295 52.037 -0.039 0.000 0.781 669 A CB 0.042 19.038 19.000 -0.008 0.000 1.020 669 A HN 0.449 nan 8.150 nan 0.000 0.494 670 T N -0.984 113.530 114.554 -0.066 0.000 3.129 670 T HA 0.174 4.464 4.350 -0.100 0.000 0.251 670 T C 0.353 174.996 174.700 -0.095 0.000 1.117 670 T CA 0.219 62.261 62.100 -0.096 0.000 1.034 670 T CB -0.271 68.555 68.868 -0.069 0.000 0.968 670 T HN 0.509 nan 8.240 nan 0.000 0.526 671 N N 0.470 119.145 118.700 -0.041 0.000 2.537 671 N HA 0.495 5.175 4.740 -0.100 0.000 0.281 671 N C -0.442 175.124 175.510 0.093 0.000 1.097 671 N CA 0.493 53.563 53.050 0.034 0.000 0.964 671 N CB 1.973 40.501 38.487 0.069 0.000 1.588 671 N HN 0.574 nan 8.380 nan 0.000 0.511 672 G N 1.652 110.574 108.800 0.203 0.000 2.719 672 G HA2 -0.176 3.724 3.960 -0.100 0.000 0.686 672 G HA3 -0.176 3.724 3.960 -0.100 0.000 0.686 672 G C -0.880 174.114 174.900 0.156 0.000 1.201 672 G CA -0.930 44.301 45.100 0.219 0.000 0.768 672 G HN 0.608 nan 8.290 nan 0.000 0.629 673 R N 1.532 122.142 120.500 0.183 0.000 2.408 673 R HA 0.392 4.672 4.340 -0.100 0.000 0.308 673 R C 0.832 177.226 176.300 0.157 0.000 1.210 673 R CA 0.119 56.308 56.100 0.149 0.000 1.115 673 R CB 0.336 30.737 30.300 0.169 0.000 1.127 673 R HN 0.741 nan 8.270 nan 0.000 0.523 674 K N -0.188 120.287 120.400 0.125 0.000 2.533 674 K HA 0.228 4.488 4.320 -0.100 0.000 0.284 674 K C -0.618 176.012 176.600 0.050 0.000 1.025 674 K CA -1.018 55.346 56.287 0.129 0.000 0.900 674 K CB 1.135 33.700 32.500 0.108 0.000 1.519 674 K HN 0.323 nan 8.250 nan 0.000 0.432 675 N N -0.106 118.609 118.700 0.024 0.000 2.681 675 N HA -0.153 4.527 4.740 -0.100 0.000 0.259 675 N C -0.329 175.036 175.510 -0.243 0.000 1.066 675 N CA 0.263 53.266 53.050 -0.079 0.000 0.717 675 N CB -0.804 37.645 38.487 -0.063 0.000 0.885 675 N HN 0.814 nan 8.380 nan 0.000 0.547 676 G N 1.517 110.028 108.800 -0.481 0.000 2.441 676 G HA2 0.301 4.201 3.960 -0.100 0.000 0.243 676 G HA3 0.301 4.201 3.960 -0.100 0.000 0.243 676 G C -0.342 174.072 174.900 -0.809 0.000 1.281 676 G CA 0.097 44.400 45.100 -1.329 0.000 0.854 676 G HN 0.377 nan 8.290 nan 0.000 0.560 677 K N 1.012 121.052 120.400 -0.601 0.000 2.469 677 K HA 0.442 4.702 4.320 -0.100 0.000 0.254 677 K C -0.973 175.477 176.600 -0.250 0.000 0.939 677 K CA -0.745 55.297 56.287 -0.407 0.000 0.812 677 K CB 2.756 35.005 32.500 -0.418 0.000 1.301 677 K HN 0.350 nan 8.250 nan 0.000 0.433 678 I N 1.979 122.395 120.570 -0.257 0.000 2.362 678 I HA 0.341 4.451 4.170 -0.100 0.000 0.289 678 I C -1.098 174.934 176.117 -0.141 0.000 0.994 678 I CA -0.649 60.592 61.300 -0.098 0.000 1.158 678 I CB 0.795 38.702 38.000 -0.156 0.000 1.315 678 I HN 0.385 nan 8.210 nan 0.000 0.451 679 W N 6.753 128.051 121.300 -0.004 0.000 2.570 679 W HA 0.626 5.227 4.660 -0.098 0.000 0.337 679 W C -0.401 176.264 176.519 0.243 0.000 1.067 679 W CA -0.448 56.966 57.345 0.114 0.000 1.229 679 W CB 1.029 30.515 29.460 0.044 0.000 1.355 679 W HN 0.147 nan 8.180 nan 0.000 0.555 680 I N 2.827 123.706 120.570 0.514 0.000 2.355 680 I HA 0.485 4.595 4.170 -0.100 0.000 0.288 680 I C 0.522 176.824 176.117 0.308 0.000 0.999 680 I CA -0.692 60.817 61.300 0.348 0.000 1.163 680 I CB 1.069 39.214 38.000 0.242 0.000 1.316 680 I HN 0.570 nan 8.210 nan 0.000 0.454 681 G N 7.040 115.814 108.800 -0.043 0.000 2.422 681 G HA2 0.591 4.491 3.960 -0.100 0.000 0.317 681 G HA3 0.591 4.491 3.960 -0.100 0.000 0.317 681 G C -0.978 173.674 174.900 -0.413 0.000 1.210 681 G CA -0.419 44.256 45.100 -0.709 0.000 0.930 681 G HN 0.241 nan 8.290 nan 0.000 0.468 682 L N 2.654 123.701 121.223 -0.293 0.000 2.276 682 L HA 0.297 4.577 4.340 -0.100 0.000 0.286 682 L C 0.460 177.227 176.870 -0.172 0.000 1.061 682 L CA -0.659 54.089 54.840 -0.154 0.000 0.807 682 L CB 1.650 43.667 42.059 -0.070 0.000 1.177 682 L HN 0.230 nan 8.230 nan 0.000 0.429 683 V N 5.089 124.934 119.914 -0.115 0.000 2.427 683 V HA 0.271 4.331 4.120 -0.100 0.000 0.268 683 V C 0.300 176.402 176.094 0.014 0.000 1.046 683 V CA -0.484 61.772 62.300 -0.074 0.000 0.970 683 V CB 0.342 32.095 31.823 -0.116 0.000 1.001 683 V HN 0.700 nan 8.190 nan 0.000 0.476 684 N N 3.055 121.790 118.700 0.058 0.000 2.361 684 N HA 0.273 4.953 4.740 -0.100 0.000 0.302 684 N C -0.910 174.696 175.510 0.160 0.000 1.074 684 N CA -0.601 52.496 53.050 0.080 0.000 0.850 684 N CB 2.205 40.707 38.487 0.025 0.000 1.228 684 N HN 0.618 nan 8.380 nan 0.000 0.491 685 D N 0.769 121.238 120.400 0.114 0.000 2.313 685 D HA 0.071 4.651 4.640 -0.100 0.000 0.239 685 D C 1.133 177.408 176.300 -0.041 0.000 1.142 685 D CA -0.155 53.850 54.000 0.009 0.000 0.847 685 D CB 1.007 41.803 40.800 -0.006 0.000 1.082 685 D HN 0.571 nan 8.370 nan 0.000 0.480 686 T N 0.946 115.452 114.554 -0.080 0.000 2.995 686 T HA 0.145 4.435 4.350 -0.100 0.000 0.269 686 T C 1.474 176.133 174.700 -0.068 0.000 1.091 686 T CA 0.834 62.899 62.100 -0.058 0.000 1.128 686 T CB 0.084 68.919 68.868 -0.055 0.000 0.891 686 T HN 0.621 nan 8.240 nan 0.000 0.492 687 G N 0.929 109.669 108.800 -0.100 0.000 2.201 687 G HA2 -0.193 3.707 3.960 -0.100 0.000 0.212 687 G HA3 -0.193 3.707 3.960 -0.100 0.000 0.212 687 G C 0.076 174.919 174.900 -0.093 0.000 0.994 687 G CA -0.133 44.916 45.100 -0.084 0.000 0.644 687 G HN 0.583 nan 8.290 nan 0.000 0.508 688 N N 0.617 119.251 118.700 -0.111 0.000 2.448 688 N HA 0.639 5.319 4.740 -0.100 0.000 0.274 688 N C 0.348 175.776 175.510 -0.138 0.000 1.239 688 N CA 0.796 53.784 53.050 -0.103 0.000 0.982 688 N CB 1.149 39.584 38.487 -0.086 0.000 1.199 688 N HN 0.530 nan 8.380 nan 0.000 0.576 689 T N -3.669 110.817 114.554 -0.113 0.000 2.916 689 T HA 0.685 4.975 4.350 -0.100 0.000 0.292 689 T C 0.592 175.230 174.700 -0.102 0.000 1.064 689 T CA -0.024 62.004 62.100 -0.120 0.000 1.011 689 T CB 1.738 70.551 68.868 -0.091 0.000 1.152 689 T HN 0.768 nan 8.240 nan 0.000 0.510 690 G N 0.957 109.697 108.800 -0.099 0.000 2.539 690 G HA2 -0.233 3.667 3.960 -0.100 0.000 0.256 690 G HA3 -0.233 3.667 3.960 -0.100 0.000 0.256 690 G C 0.756 175.614 174.900 -0.070 0.000 1.233 690 G CA 0.041 45.093 45.100 -0.080 0.000 0.936 690 G HN 1.025 nan 8.290 nan 0.000 0.571 691 I N 1.278 121.814 120.570 -0.058 0.000 2.399 691 I HA -0.124 3.986 4.170 -0.100 0.000 0.254 691 I C 1.693 177.799 176.117 -0.018 0.000 1.146 691 I CA 2.016 63.295 61.300 -0.035 0.000 1.412 691 I CB -0.213 37.767 38.000 -0.033 0.000 1.076 691 I HN 0.411 nan 8.210 nan 0.000 0.432 692 D N 0.146 120.522 120.400 -0.040 0.000 2.342 692 D HA -0.034 4.546 4.640 -0.100 0.000 0.221 692 D C 1.760 178.008 176.300 -0.086 0.000 1.101 692 D CA 0.090 54.067 54.000 -0.039 0.000 0.837 692 D CB 0.303 41.081 40.800 -0.037 0.000 0.938 692 D HN 0.349 nan 8.370 nan 0.000 0.508 693 K N 0.202 120.511 120.400 -0.153 0.000 2.057 693 K HA -0.140 4.120 4.320 -0.100 0.000 0.207 693 K C -0.045 176.276 176.600 -0.464 0.000 1.049 693 K CA 1.065 57.134 56.287 -0.363 0.000 0.931 693 K CB 0.229 32.404 32.500 -0.543 0.000 0.714 693 K HN -0.001 nan 8.250 nan 0.000 0.440 694 Y N -0.724 119.567 120.300 -0.015 0.000 2.487 694 Y HA 0.395 4.885 4.550 -0.100 0.000 0.337 694 Y C -0.271 175.626 175.900 -0.006 0.000 1.076 694 Y CA -1.001 57.092 58.100 -0.011 0.000 1.115 694 Y CB 2.173 40.630 38.460 -0.006 0.000 1.235 694 Y HN -0.193 nan 8.280 nan 0.000 0.468 695 S N 1.105 116.902 115.700 0.163 0.000 2.571 695 S HA 0.686 5.097 4.470 -0.100 0.000 0.284 695 S C -1.740 172.870 174.600 0.017 0.000 1.128 695 S CA -0.618 57.628 58.200 0.077 0.000 0.970 695 S CB 0.766 63.989 63.200 0.039 0.000 1.039 695 S HN 0.399 nan 8.310 nan 0.000 0.485 696 V N 4.839 124.728 119.914 -0.041 0.000 2.370 696 V HA 0.444 4.505 4.120 -0.100 0.000 0.279 696 V C 0.290 176.159 176.094 -0.375 0.000 1.029 696 V CA -0.615 61.522 62.300 -0.272 0.000 0.870 696 V CB 1.354 32.923 31.823 -0.422 0.000 0.984 696 V HN 0.895 nan 8.190 nan 0.000 0.451 697 E N 4.720 124.711 120.200 -0.350 0.000 2.046 697 E HA 0.160 4.450 4.350 -0.100 0.000 0.279 697 E C -1.104 175.320 176.600 -0.293 0.000 0.989 697 E CA -0.656 55.608 56.400 -0.226 0.000 0.798 697 E CB 0.539 30.166 29.700 -0.121 0.000 1.086 697 E HN 0.697 nan 8.360 nan 0.000 0.399 698 W N 5.784 127.094 121.300 0.017 0.000 2.110 698 W HA 0.152 4.752 4.660 -0.100 0.000 0.450 698 W C 1.454 178.030 176.519 0.095 0.000 0.893 698 W CA -0.364 57.027 57.345 0.076 0.000 1.688 698 W CB 0.328 29.796 29.460 0.014 0.000 1.779 698 W HN 0.580 nan 8.180 nan 0.000 0.300 699 K N 1.149 121.602 120.400 0.088 0.000 2.103 699 K HA -0.085 4.175 4.320 -0.100 0.000 0.204 699 K C -0.293 176.107 176.600 -0.332 0.000 1.052 699 K CA 1.022 57.187 56.287 -0.204 0.000 0.945 699 K CB 0.120 32.334 32.500 -0.477 0.000 0.722 699 K HN 0.221 nan 8.250 nan 0.000 0.443 700 Y N -0.364 120.033 120.300 0.161 0.000 2.485 700 Y HA 0.296 4.787 4.550 -0.099 0.000 0.345 700 Y C -0.382 175.482 175.900 -0.060 0.000 0.998 700 Y CA -1.128 56.997 58.100 0.040 0.000 1.059 700 Y CB 2.217 40.677 38.460 -0.001 0.000 1.234 700 Y HN -0.088 nan 8.280 nan 0.000 0.461 701 S N 1.180 116.775 115.700 -0.175 0.000 2.541 701 S HA 0.646 5.056 4.470 -0.100 0.000 0.280 701 S C -1.918 172.432 174.600 -0.416 0.000 1.112 701 S CA -0.833 56.908 58.200 -0.765 0.000 0.925 701 S CB 1.709 63.954 63.200 -1.592 0.000 1.067 701 S HN 0.630 nan 8.310 nan 0.000 0.479 702 Y N 1.979 121.929 120.300 -0.582 0.000 2.326 702 Y HA 0.626 5.115 4.550 -0.102 0.000 0.329 702 Y C -0.361 175.270 175.900 -0.448 0.000 0.973 702 Y CA -0.673 57.167 58.100 -0.434 0.000 1.162 702 Y CB 1.351 39.563 38.460 -0.413 0.000 1.147 702 Y HN 1.111 nan 8.280 nan 0.000 0.456 703 A N 5.487 127.870 122.820 -0.729 0.000 2.354 703 A HA 0.380 4.640 4.320 -0.100 0.000 0.281 703 A C 0.473 177.692 177.584 -0.609 0.000 1.174 703 A CA -0.309 51.396 52.037 -0.554 0.000 0.828 703 A CB 0.594 19.347 19.000 -0.413 0.000 1.099 703 A HN 0.858 nan 8.150 nan 0.000 0.516 704 V N 2.119 121.830 119.914 -0.338 0.000 2.626 704 V HA -0.024 4.036 4.120 -0.100 0.000 0.252 704 V C 0.976 177.068 176.094 -0.003 0.000 1.067 704 V CA 2.406 64.641 62.300 -0.109 0.000 1.081 704 V CB -0.450 31.355 31.823 -0.029 0.000 0.686 704 V HN 1.007 nan 8.190 nan 0.000 0.468 705 D N -2.188 118.179 120.400 -0.055 0.000 3.309 705 D HA 0.214 4.794 4.640 -0.100 0.000 0.335 705 D C -0.381 175.890 176.300 -0.048 0.000 1.393 705 D CA 0.403 54.407 54.000 0.007 0.000 0.963 705 D CB 1.259 42.127 40.800 0.114 0.000 1.431 705 D HN 0.187 nan 8.370 nan 0.000 0.583 706 T N -1.176 113.372 114.554 -0.010 0.000 2.849 706 T HA 0.424 4.714 4.350 -0.100 0.000 0.284 706 T C -1.850 172.842 174.700 -0.014 0.000 1.004 706 T CA -1.025 61.060 62.100 -0.025 0.000 1.021 706 T CB 1.289 70.153 68.868 -0.006 0.000 1.013 706 T HN 0.073 nan 8.240 nan 0.000 0.527 707 P HA -0.140 nan 4.420 nan 0.000 0.217 707 P C 1.466 178.776 177.300 0.018 0.000 1.151 707 P CA 1.108 64.198 63.100 -0.017 0.000 0.849 707 P CB 0.047 31.735 31.700 -0.021 0.000 0.787 708 Q N -2.177 117.646 119.800 0.038 0.000 2.392 708 Q HA 0.132 4.412 4.340 -0.100 0.000 0.203 708 Q C 0.643 176.699 176.000 0.094 0.000 0.917 708 Q CA 0.407 56.248 55.803 0.063 0.000 0.939 708 Q CB -0.235 28.541 28.738 0.064 0.000 1.063 708 Q HN 0.343 nan 8.270 nan 0.000 0.516 709 M N 1.055 120.716 119.600 0.102 0.000 2.219 709 M HA 0.161 4.582 4.480 -0.100 0.000 0.353 709 M C 0.796 177.214 176.300 0.197 0.000 1.304 709 M CA -0.006 55.383 55.300 0.150 0.000 1.115 709 M CB 0.163 32.856 32.600 0.155 0.000 1.664 709 M HN 0.003 nan 8.290 nan 0.000 0.459 710 G N 3.024 111.958 108.800 0.223 0.000 2.491 710 G HA2 0.168 4.068 3.960 -0.100 0.000 0.238 710 G HA3 0.168 4.068 3.960 -0.100 0.000 0.238 710 G C -1.388 173.740 174.900 0.379 0.000 1.277 710 G CA 0.049 45.301 45.100 0.254 0.000 0.851 710 G HN 0.732 nan 8.290 nan 0.000 0.573 711 Y N 1.301 121.710 120.300 0.181 0.000 2.299 711 Y HA 0.398 4.887 4.550 -0.101 0.000 0.318 711 Y C 0.174 176.182 175.900 0.181 0.000 1.205 711 Y CA -0.730 57.519 58.100 0.248 0.000 1.106 711 Y CB 1.034 39.606 38.460 0.186 0.000 1.246 711 Y HN 0.634 nan 8.280 nan 0.000 0.415 712 S N 2.641 118.473 115.700 0.219 0.000 4.150 712 S HA 0.382 4.792 4.470 -0.100 0.000 0.193 712 S C -1.021 173.775 174.600 0.326 0.000 1.010 712 S CA -0.410 57.940 58.200 0.250 0.000 1.650 712 S CB 0.011 63.264 63.200 0.089 0.000 0.823 712 S HN 0.397 nan 8.310 nan 0.000 0.794 713 Y N 3.011 123.354 120.300 0.071 0.000 2.550 713 Y HA 0.432 4.922 4.550 -0.100 0.000 0.343 713 Y C 1.064 177.026 175.900 0.103 0.000 1.245 713 Y CA -0.557 57.602 58.100 0.097 0.000 1.462 713 Y CB 0.141 38.661 38.460 0.101 0.000 1.340 713 Y HN 0.576 nan 8.280 nan 0.000 0.604 714 S N 0.181 116.024 115.700 0.239 0.000 2.615 714 S HA 0.677 5.087 4.470 -0.100 0.000 0.269 714 S C -1.582 173.147 174.600 0.215 0.000 1.161 714 S CA -1.003 57.334 58.200 0.227 0.000 0.817 714 S CB 1.740 65.061 63.200 0.201 0.000 1.131 714 S HN 0.797 nan 8.310 nan 0.000 0.467 715 C N 1.994 121.438 119.300 0.240 0.000 2.716 715 C HA 0.676 5.076 4.460 -0.100 0.000 0.366 715 C C -1.468 173.675 174.990 0.255 0.000 1.073 715 C CA -0.396 58.760 59.018 0.231 0.000 1.260 715 C CB 0.150 28.028 27.740 0.230 0.000 1.755 715 C HN 0.880 nan 8.230 nan 0.000 0.475 716 L N 4.230 125.594 121.223 0.235 0.000 2.399 716 L HA 0.900 5.180 4.340 -0.100 0.000 0.265 716 L C 0.515 177.538 176.870 0.254 0.000 1.089 716 L CA 0.269 55.255 54.840 0.242 0.000 0.802 716 L CB 1.435 43.620 42.059 0.209 0.000 1.180 716 L HN 0.908 nan 8.230 nan 0.000 0.454 717 A N 1.634 124.617 122.820 0.271 0.000 2.540 717 A HA 0.477 4.737 4.320 -0.100 0.000 0.297 717 A C -0.849 176.893 177.584 0.262 0.000 1.056 717 A CA -0.631 51.566 52.037 0.266 0.000 0.700 717 A CB 1.045 20.219 19.000 0.291 0.000 1.280 717 A HN 0.652 nan 8.150 nan 0.000 0.398 718 E N 2.867 123.208 120.200 0.236 0.000 2.223 718 E HA 0.473 4.763 4.350 -0.100 0.000 0.282 718 E C -0.741 175.966 176.600 0.178 0.000 1.046 718 E CA -0.335 56.204 56.400 0.231 0.000 0.857 718 E CB 0.410 30.203 29.700 0.154 0.000 1.055 718 E HN 0.595 nan 8.360 nan 0.000 0.409 719 L N 5.691 127.025 121.223 0.186 0.000 2.456 719 L HA 0.213 4.494 4.340 -0.100 0.000 0.257 719 L C -1.529 175.398 176.870 0.094 0.000 1.162 719 L CA -1.863 53.068 54.840 0.152 0.000 0.808 719 L CB 0.312 42.474 42.059 0.172 0.000 1.136 719 L HN 0.523 nan 8.230 nan 0.000 0.466 720 P HA -0.166 nan 4.420 nan 0.000 0.216 720 P C -0.244 177.075 177.300 0.032 0.000 1.150 720 P CA 1.126 64.247 63.100 0.035 0.000 0.843 720 P CB -0.057 31.655 31.700 0.019 0.000 0.787 721 D N -1.661 118.767 120.400 0.046 0.000 2.403 721 D HA 0.057 4.637 4.640 -0.100 0.000 0.278 721 D C 1.824 178.165 176.300 0.068 0.000 1.230 721 D CA 0.088 54.115 54.000 0.045 0.000 1.062 721 D CB -0.900 39.925 40.800 0.041 0.000 1.119 721 D HN -0.022 nan 8.370 nan 0.000 0.557 722 G N -1.848 107.001 108.800 0.081 0.000 2.511 722 G HA2 -0.110 3.790 3.960 -0.100 0.000 0.217 722 G HA3 -0.110 3.790 3.960 -0.100 0.000 0.217 722 G C 0.684 175.709 174.900 0.208 0.000 1.133 722 G CA 0.097 45.283 45.100 0.144 0.000 0.792 722 G HN 0.443 nan 8.290 nan 0.000 0.539 723 Q N -0.366 119.514 119.800 0.134 0.000 2.479 723 Q HA 0.289 4.569 4.340 -0.100 0.000 0.267 723 Q C -0.691 175.418 176.000 0.181 0.000 1.071 723 Q CA 0.019 55.896 55.803 0.122 0.000 0.935 723 Q CB 1.487 30.262 28.738 0.063 0.000 1.295 723 Q HN 0.038 nan 8.270 nan 0.000 0.476 724 V N 1.401 121.400 119.914 0.141 0.000 2.357 724 V HA 0.402 4.462 4.120 -0.100 0.000 0.284 724 V C 0.392 176.583 176.094 0.163 0.000 1.018 724 V CA -0.583 61.823 62.300 0.176 0.000 0.841 724 V CB 1.213 33.106 31.823 0.116 0.000 0.991 724 V HN 0.843 nan 8.190 nan 0.000 0.437 725 G N 4.336 113.267 108.800 0.218 0.000 2.448 725 G HA2 0.610 4.510 3.960 -0.100 0.000 0.285 725 G HA3 0.610 4.510 3.960 -0.100 0.000 0.285 725 G C -0.963 174.095 174.900 0.264 0.000 1.176 725 G CA -0.403 44.828 45.100 0.218 0.000 0.852 725 G HN 0.604 nan 8.290 nan 0.000 0.530 726 L N 2.168 123.508 121.223 0.195 0.000 2.476 726 L HA 0.514 4.795 4.340 -0.100 0.000 0.269 726 L C -1.699 175.434 176.870 0.438 0.000 0.965 726 L CA -0.881 54.142 54.840 0.304 0.000 0.845 726 L CB 1.910 44.132 42.059 0.272 0.000 1.259 726 L HN 0.468 nan 8.230 nan 0.000 0.403 727 L N 6.912 128.415 121.223 0.466 0.000 2.298 727 L HA 0.616 4.896 4.340 -0.100 0.000 0.284 727 L C -1.158 175.944 176.870 0.387 0.000 1.013 727 L CA -0.136 54.958 54.840 0.423 0.000 0.824 727 L CB 1.257 43.488 42.059 0.286 0.000 1.221 727 L HN 0.518 nan 8.230 nan 0.000 0.418 728 Y N 1.272 121.630 120.300 0.097 0.000 2.625 728 Y HA 0.620 5.109 4.550 -0.102 0.000 0.338 728 Y C -1.088 174.823 175.900 0.018 0.000 1.123 728 Y CA -1.469 56.627 58.100 -0.007 0.000 1.046 728 Y CB 0.918 39.226 38.460 -0.252 0.000 1.299 728 Y HN 0.566 nan 8.280 nan 0.000 0.464 729 E N 1.889 122.092 120.200 0.006 0.000 2.052 729 E HA 0.166 4.456 4.350 -0.100 0.000 0.283 729 E C -0.782 175.850 176.600 0.054 0.000 1.071 729 E CA -0.481 55.964 56.400 0.076 0.000 0.851 729 E CB 0.855 30.690 29.700 0.224 0.000 1.066 729 E HN 0.469 nan 8.360 nan 0.000 0.396 730 K N 4.869 125.227 120.400 -0.070 0.000 2.751 730 K HA 0.069 4.329 4.320 -0.100 0.000 0.252 730 K C -1.343 175.449 176.600 0.320 0.000 1.277 730 K CA -0.089 56.255 56.287 0.095 0.000 1.226 730 K CB -0.129 32.332 32.500 -0.065 0.000 1.658 730 K HN 0.439 nan 8.250 nan 0.000 0.303 731 Y N -2.648 117.716 120.300 0.107 0.000 2.818 731 Y HA 0.273 4.763 4.550 -0.100 0.000 0.341 731 Y C -1.817 174.171 175.900 0.145 0.000 1.283 731 Y CA -1.905 56.263 58.100 0.113 0.000 1.075 731 Y CB 0.583 39.083 38.460 0.066 0.000 1.370 731 Y HN -0.051 nan 8.280 nan 0.000 0.448 732 D N 1.433 121.786 120.400 -0.079 0.000 2.441 732 D HA 0.192 4.772 4.640 -0.100 0.000 0.221 732 D C 0.643 176.662 176.300 -0.468 0.000 1.156 732 D CA 0.504 54.410 54.000 -0.156 0.000 0.896 732 D CB 1.004 41.842 40.800 0.064 0.000 1.028 732 D HN 0.712 nan 8.370 nan 0.000 0.509 733 S N 2.977 118.229 115.700 -0.746 0.000 2.603 733 S HA -0.057 4.353 4.470 -0.100 0.000 0.229 733 S C 1.488 176.037 174.600 -0.085 0.000 0.972 733 S CA -0.394 57.426 58.200 -0.632 0.000 0.935 733 S CB -0.251 62.617 63.200 -0.552 0.000 0.769 733 S HN 0.698 nan 8.310 nan 0.000 0.536 734 W N 1.760 122.950 121.300 -0.184 0.000 2.630 734 W HA 0.338 4.937 4.660 -0.101 0.000 0.275 734 W C 0.647 177.082 176.519 -0.140 0.000 1.192 734 W CA 0.107 57.369 57.345 -0.139 0.000 1.410 734 W CB -0.238 29.151 29.460 -0.118 0.000 1.075 734 W HN 0.344 nan 8.180 nan 0.000 0.581 735 S N 2.271 118.007 115.700 0.060 0.000 2.593 735 S HA -0.059 4.351 4.470 -0.100 0.000 0.300 735 S C 1.193 175.734 174.600 -0.098 0.000 1.267 735 S CA 0.051 58.245 58.200 -0.010 0.000 1.065 735 S CB 0.598 63.834 63.200 0.060 0.000 0.807 735 S HN 0.176 nan 8.310 nan 0.000 0.499 736 R N 3.839 124.265 120.500 -0.124 0.000 2.323 736 R HA 0.032 4.312 4.340 -0.100 0.000 0.198 736 R C 0.791 177.050 176.300 -0.068 0.000 0.988 736 R CA 0.775 56.801 56.100 -0.123 0.000 1.041 736 R CB -0.592 29.639 30.300 -0.115 0.000 0.926 736 R HN 0.725 nan 8.270 nan 0.000 0.476 737 N N 0.265 118.948 118.700 -0.029 0.000 2.254 737 N HA 0.009 4.689 4.740 -0.100 0.000 0.190 737 N C 0.098 175.617 175.510 0.015 0.000 1.107 737 N CA 0.086 53.136 53.050 0.001 0.000 0.869 737 N CB 0.519 39.023 38.487 0.029 0.000 0.983 737 N HN 0.176 nan 8.380 nan 0.000 0.487 738 E N 0.874 121.087 120.200 0.021 0.000 2.789 738 E HA 0.173 4.463 4.350 -0.100 0.000 0.208 738 E C -0.477 176.151 176.600 0.046 0.000 0.988 738 E CA -0.118 56.337 56.400 0.091 0.000 1.092 738 E CB 0.758 30.599 29.700 0.236 0.000 1.066 738 E HN 0.263 nan 8.360 nan 0.000 0.465 739 L N 0.410 121.528 121.223 -0.175 0.000 2.453 739 L HA 0.231 4.511 4.340 -0.100 0.000 0.261 739 L C 0.250 176.781 176.870 -0.565 0.000 1.179 739 L CA -0.243 54.283 54.840 -0.524 0.000 0.813 739 L CB -0.192 41.275 42.059 -0.986 0.000 1.110 739 L HN 0.387 nan 8.230 nan 0.000 0.466 740 H N 0.212 119.102 119.070 -0.300 0.000 2.672 740 H HA -0.144 4.351 4.556 -0.100 0.000 0.325 740 H C -1.065 174.222 175.328 -0.069 0.000 1.158 740 H CA -0.233 55.557 56.048 -0.429 0.000 1.134 740 H CB -1.784 27.762 29.762 -0.359 0.000 1.553 740 H HN 0.274 nan 8.280 nan 0.000 0.419 741 L N 0.992 122.205 121.223 -0.017 0.000 2.317 741 L HA 0.402 4.682 4.340 -0.100 0.000 0.281 741 L C 0.565 177.480 176.870 0.076 0.000 1.024 741 L CA -0.780 54.059 54.840 -0.003 0.000 0.810 741 L CB 1.685 43.614 42.059 -0.217 0.000 1.240 741 L HN 0.208 nan 8.230 nan 0.000 0.427 742 K N 1.656 122.096 120.400 0.067 0.000 2.118 742 K HA 0.234 4.494 4.320 -0.100 0.000 0.264 742 K C -0.718 175.874 176.600 -0.014 0.000 1.000 742 K CA -0.760 55.517 56.287 -0.018 0.000 0.929 742 K CB 0.623 33.072 32.500 -0.086 0.000 1.021 742 K HN 0.499 nan 8.250 nan 0.000 0.463 743 D N 1.614 122.034 120.400 0.033 0.000 2.737 743 D HA -0.148 4.432 4.640 -0.100 0.000 0.238 743 D C 0.235 176.529 176.300 -0.010 0.000 1.157 743 D CA 0.771 54.799 54.000 0.048 0.000 0.694 743 D CB -1.101 39.727 40.800 0.047 0.000 1.021 743 D HN 0.514 nan 8.370 nan 0.000 0.420 744 I N -3.487 117.056 120.570 -0.045 0.000 4.082 744 I HA 0.196 4.306 4.170 -0.100 0.000 0.337 744 I C 0.530 176.600 176.117 -0.078 0.000 1.352 744 I CA -0.245 61.002 61.300 -0.087 0.000 1.097 744 I CB 0.198 38.050 38.000 -0.246 0.000 1.048 744 I HN 0.056 nan 8.210 nan 0.000 0.393 745 L N 3.488 124.690 121.223 -0.034 0.000 2.282 745 L HA 0.499 4.779 4.340 -0.100 0.000 0.287 745 L C -0.333 176.474 176.870 -0.106 0.000 1.075 745 L CA 0.183 54.993 54.840 -0.050 0.000 0.839 745 L CB -0.199 41.892 42.059 0.053 0.000 1.219 745 L HN 0.040 nan 8.230 nan 0.000 0.434 746 K N 4.565 124.815 120.400 -0.251 0.000 2.156 746 K HA 0.434 4.694 4.320 -0.100 0.000 0.250 746 K C -1.096 175.557 176.600 0.088 0.000 0.955 746 K CA -0.550 55.653 56.287 -0.139 0.000 0.855 746 K CB 2.059 34.426 32.500 -0.221 0.000 1.101 746 K HN 0.341 nan 8.250 nan 0.000 0.434 747 F N 1.476 121.437 119.950 0.020 0.000 2.427 747 F HA 0.334 4.801 4.527 -0.101 0.000 0.348 747 F C -0.529 175.384 175.800 0.188 0.000 1.125 747 F CA -0.518 57.543 58.000 0.101 0.000 0.989 747 F CB 1.177 40.161 39.000 -0.027 0.000 1.165 747 F HN 0.495 nan 8.300 nan 0.000 0.442 748 E N 4.626 124.613 120.200 -0.356 0.000 2.336 748 E HA 0.506 4.796 4.350 -0.100 0.000 0.267 748 E C -1.343 174.875 176.600 -0.636 0.000 0.906 748 E CA -1.281 54.903 56.400 -0.359 0.000 0.781 748 E CB 2.635 32.365 29.700 0.050 0.000 1.261 748 E HN 0.476 nan 8.360 nan 0.000 0.436 749 K N 1.424 121.435 120.400 -0.648 0.000 2.371 749 K HA 0.523 4.783 4.320 -0.100 0.000 0.251 749 K C -1.547 174.652 176.600 -0.668 0.000 0.934 749 K CA -0.742 55.258 56.287 -0.478 0.000 0.798 749 K CB 1.593 33.925 32.500 -0.282 0.000 1.204 749 K HN 0.379 nan 8.250 nan 0.000 0.427 750 Y N -0.127 120.087 120.300 -0.143 0.000 2.492 750 Y HA 0.224 4.715 4.550 -0.099 0.000 0.346 750 Y C 0.296 176.090 175.900 -0.177 0.000 0.997 750 Y CA -0.900 57.072 58.100 -0.214 0.000 1.025 750 Y CB 2.251 40.498 38.460 -0.355 0.000 1.263 750 Y HN 0.639 nan 8.280 nan 0.000 0.454 751 S N 1.815 117.494 115.700 -0.035 0.000 2.632 751 S HA 0.355 4.765 4.470 -0.100 0.000 0.271 751 S C 0.809 175.331 174.600 -0.131 0.000 1.260 751 S CA -0.704 57.461 58.200 -0.058 0.000 1.010 751 S CB 0.794 63.963 63.200 -0.051 0.000 0.965 751 S HN 0.570 nan 8.310 nan 0.000 0.534 752 I N 1.660 122.142 120.570 -0.146 0.000 2.286 752 I HA -0.114 3.996 4.170 -0.100 0.000 0.248 752 I C 2.770 178.750 176.117 -0.228 0.000 1.115 752 I CA 1.383 62.540 61.300 -0.238 0.000 1.392 752 I CB -1.911 35.946 38.000 -0.239 0.000 1.065 752 I HN 0.904 nan 8.210 nan 0.000 0.418 753 S N 0.603 116.211 115.700 -0.153 0.000 2.365 753 S HA -0.236 4.175 4.470 -0.100 0.000 0.225 753 S C 1.919 176.433 174.600 -0.144 0.000 1.039 753 S CA 1.750 59.871 58.200 -0.131 0.000 1.033 753 S CB -0.073 63.081 63.200 -0.076 0.000 0.887 753 S HN 0.500 nan 8.310 nan 0.000 0.447 754 E N 0.071 120.185 120.200 -0.144 0.000 2.047 754 E HA -0.100 4.190 4.350 -0.100 0.000 0.191 754 E C 2.091 178.535 176.600 -0.260 0.000 0.987 754 E CA 1.146 57.461 56.400 -0.142 0.000 0.799 754 E CB -0.221 29.392 29.700 -0.144 0.000 0.752 754 E HN 0.321 nan 8.360 nan 0.000 0.449 755 L N 0.823 121.790 121.223 -0.426 0.000 2.127 755 L HA -0.129 4.151 4.340 -0.100 0.000 0.211 755 L C 2.438 179.126 176.870 -0.303 0.000 1.089 755 L CA 1.929 56.486 54.840 -0.473 0.000 0.757 755 L CB -1.198 40.598 42.059 -0.438 0.000 0.899 755 L HN 0.254 nan 8.230 nan 0.000 0.434 756 T N -4.247 110.061 114.554 -0.411 0.000 3.235 756 T HA 0.377 4.667 4.350 -0.100 0.000 0.251 756 T C 1.475 175.999 174.700 -0.293 0.000 1.060 756 T CA 0.371 62.047 62.100 -0.706 0.000 0.949 756 T CB -0.044 68.224 68.868 -1.000 0.000 1.020 756 T HN 0.428 nan 8.240 nan 0.000 0.564 757 G N 1.582 110.323 108.800 -0.097 0.000 2.245 757 G HA2 -0.411 3.489 3.960 -0.100 0.000 0.264 757 G HA3 -0.411 3.489 3.960 -0.100 0.000 0.264 757 G C 0.862 175.750 174.900 -0.020 0.000 0.985 757 G CA 0.649 45.746 45.100 -0.005 0.000 0.625 757 G HN 0.596 nan 8.290 nan 0.000 0.536 758 Q N 0.378 120.139 119.800 -0.065 0.000 2.226 758 Q HA 0.251 4.532 4.340 -0.100 0.000 0.204 758 Q C 1.494 177.477 176.000 -0.029 0.000 0.975 758 Q CA 2.036 57.812 55.803 -0.046 0.000 0.866 758 Q CB -0.310 28.384 28.738 -0.073 0.000 0.915 758 Q HN 2.282 nan 8.270 nan 0.000 0.440 759 A N 0.000 122.803 122.820 -0.029 0.000 2.254 759 A HA 0.000 4.260 4.320 -0.100 0.000 0.244 759 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 759 A CB 0.000 19.001 19.000 0.002 0.000 0.831 759 A HN 0.000 nan 8.150 nan 0.000 0.486