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 1sli_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 0.000 175.985 176.117 -0.220 0.000 1.063 81 I CA 0.000 61.212 61.300 -0.147 0.000 1.566 81 I CB 0.000 38.016 38.000 0.026 0.000 1.214 82 P HA 0.249 nan 4.420 nan 0.000 0.272 82 P C -0.797 176.420 177.300 -0.137 0.000 1.240 82 P CA -0.201 62.754 63.100 -0.243 0.000 0.791 82 P CB 0.962 32.478 31.700 -0.307 0.000 0.978 83 E N 0.107 120.260 120.200 -0.079 0.000 2.167 83 E HA 0.491 4.780 4.350 -0.103 0.000 0.284 83 E C 0.737 177.332 176.600 -0.008 0.000 1.016 83 E CA 0.224 56.605 56.400 -0.032 0.000 0.817 83 E CB 0.984 30.671 29.700 -0.022 0.000 1.080 83 E HN 0.834 nan 8.360 nan 0.000 0.397 84 G N 2.720 111.543 108.800 0.038 0.000 2.337 84 G HA2 -0.177 3.721 3.960 -0.103 0.000 0.197 84 G HA3 -0.177 3.721 3.960 -0.103 0.000 0.197 84 G C -0.510 174.420 174.900 0.050 0.000 1.238 84 G CA -0.878 44.278 45.100 0.093 0.000 1.119 84 G HN 0.443 nan 8.290 nan 0.000 0.514 85 I N 2.351 122.883 120.570 -0.063 0.000 2.505 85 I HA 0.188 4.296 4.170 -0.103 0.000 0.287 85 I C 1.585 177.629 176.117 -0.122 0.000 1.104 85 I CA -0.050 61.097 61.300 -0.255 0.000 1.387 85 I CB 0.571 38.383 38.000 -0.314 0.000 1.404 85 I HN 0.415 nan 8.210 nan 0.000 0.528 86 L N 6.256 127.427 121.223 -0.087 0.000 2.354 86 L HA 0.282 4.560 4.340 -0.103 0.000 0.212 86 L C 0.580 177.480 176.870 0.050 0.000 1.091 86 L CA 0.608 55.462 54.840 0.023 0.000 0.828 86 L CB 0.080 42.198 42.059 0.098 0.000 0.973 86 L HN 0.635 nan 8.230 nan 0.000 0.461 87 M N -0.256 119.331 119.600 -0.022 0.000 2.490 87 M HA 0.312 4.730 4.480 -0.103 0.000 0.286 87 M C -2.053 174.210 176.300 -0.061 0.000 1.185 87 M CA -0.405 54.898 55.300 0.005 0.000 0.912 87 M CB 2.860 35.506 32.600 0.076 0.000 1.744 87 M HN -0.065 nan 8.290 nan 0.000 0.494 88 E N 3.298 123.480 120.200 -0.030 0.000 2.335 88 E HA 0.605 4.893 4.350 -0.103 0.000 0.280 88 E C -2.144 174.454 176.600 -0.003 0.000 0.918 88 E CA -0.678 55.694 56.400 -0.047 0.000 0.765 88 E CB 2.288 31.943 29.700 -0.074 0.000 1.218 88 E HN 0.534 nan 8.360 nan 0.000 0.425 89 K N 2.176 122.573 120.400 -0.004 0.000 2.502 89 K HA 0.530 4.788 4.320 -0.103 0.000 0.257 89 K C -1.620 174.973 176.600 -0.010 0.000 0.938 89 K CA -0.678 55.612 56.287 0.006 0.000 0.819 89 K CB 1.582 34.094 32.500 0.020 0.000 1.333 89 K HN 0.548 nan 8.250 nan 0.000 0.434 90 N N 2.345 121.037 118.700 -0.013 0.000 2.262 90 N HA 0.329 5.007 4.740 -0.103 0.000 0.295 90 N C -1.270 174.234 175.510 -0.010 0.000 1.161 90 N CA -0.715 52.329 53.050 -0.010 0.000 0.767 90 N CB 1.561 40.042 38.487 -0.011 0.000 1.499 90 N HN 0.641 nan 8.380 nan 0.000 0.476 91 N N -0.059 118.649 118.700 0.013 0.000 2.669 91 N HA -0.148 4.530 4.740 -0.103 0.000 0.266 91 N C -1.027 174.489 175.510 0.010 0.000 1.024 91 N CA 0.494 53.567 53.050 0.038 0.000 0.766 91 N CB -0.904 37.603 38.487 0.032 0.000 0.898 91 N HN 0.235 nan 8.380 nan 0.000 0.548 92 V N 0.927 120.832 119.914 -0.015 0.000 2.328 92 V HA 0.192 4.250 4.120 -0.103 0.000 0.278 92 V C 0.332 176.430 176.094 0.006 0.000 1.021 92 V CA -0.686 61.542 62.300 -0.120 0.000 0.838 92 V CB 1.804 33.419 31.823 -0.346 0.000 0.999 92 V HN 0.123 nan 8.190 nan 0.000 0.447 93 D N 5.037 125.458 120.400 0.035 0.000 2.277 93 D HA 0.498 5.077 4.640 -0.103 0.000 0.249 93 D C -0.243 176.129 176.300 0.121 0.000 1.134 93 D CA 0.127 54.184 54.000 0.096 0.000 0.863 93 D CB 1.900 42.748 40.800 0.081 0.000 1.143 93 D HN 0.364 nan 8.370 nan 0.000 0.458 94 I N 1.758 122.429 120.570 0.168 0.000 2.382 94 I HA 0.344 4.452 4.170 -0.103 0.000 0.286 94 I C 0.244 176.424 176.117 0.104 0.000 1.002 94 I CA -1.012 60.407 61.300 0.198 0.000 1.135 94 I CB 1.728 39.938 38.000 0.350 0.000 1.288 94 I HN 0.270 nan 8.210 nan 0.000 0.448 95 A N 5.483 128.358 122.820 0.090 0.000 2.450 95 A HA 0.138 4.396 4.320 -0.103 0.000 0.255 95 A C 0.405 178.006 177.584 0.029 0.000 1.096 95 A CA -0.191 51.870 52.037 0.040 0.000 0.778 95 A CB 0.125 19.152 19.000 0.044 0.000 1.031 95 A HN 0.807 nan 8.150 nan 0.000 0.494 96 E N 1.379 121.568 120.200 -0.018 0.000 2.694 96 E HA 0.183 4.471 4.350 -0.103 0.000 0.250 96 E C 1.384 177.989 176.600 0.010 0.000 0.963 96 E CA 1.321 57.706 56.400 -0.025 0.000 0.949 96 E CB -0.066 29.604 29.700 -0.050 0.000 0.911 96 E HN 1.397 nan 8.360 nan 0.000 0.500 97 G N 3.848 112.667 108.800 0.032 0.000 2.199 97 G HA2 -0.297 3.601 3.960 -0.103 0.000 0.254 97 G HA3 -0.297 3.601 3.960 -0.103 0.000 0.254 97 G C 0.884 175.803 174.900 0.031 0.000 0.982 97 G CA 0.426 45.541 45.100 0.026 0.000 0.632 97 G HN 0.571 nan 8.290 nan 0.000 0.529 98 Q N 0.121 119.953 119.800 0.054 0.000 2.259 98 Q HA 0.354 4.632 4.340 -0.103 0.000 0.201 98 Q C 1.776 177.822 176.000 0.078 0.000 0.938 98 Q CA 1.561 57.399 55.803 0.057 0.000 0.872 98 Q CB -0.028 28.751 28.738 0.069 0.000 0.971 98 Q HN 1.811 nan 8.270 nan 0.000 0.494 99 G N 0.929 109.806 108.800 0.129 0.000 2.796 99 G HA2 -0.301 3.597 3.960 -0.103 0.000 0.226 99 G HA3 -0.301 3.597 3.960 -0.103 0.000 0.226 99 G C -1.115 173.916 174.900 0.219 0.000 1.381 99 G CA -0.006 45.188 45.100 0.157 0.000 0.867 99 G HN 0.303 nan 8.290 nan 0.000 0.552 100 Y N -0.198 120.142 120.300 0.067 0.000 2.358 100 Y HA 0.580 5.073 4.550 -0.095 0.000 0.324 100 Y C 0.057 175.987 175.900 0.050 0.000 1.123 100 Y CA -0.053 58.086 58.100 0.065 0.000 1.067 100 Y CB 1.839 40.354 38.460 0.092 0.000 1.230 100 Y HN 1.140 nan 8.280 nan 0.000 0.429 101 S N 5.859 121.372 115.700 -0.312 0.000 2.523 101 S HA 0.398 4.806 4.470 -0.103 0.000 0.275 101 S C 0.063 174.606 174.600 -0.095 0.000 1.281 101 S CA -0.378 57.722 58.200 -0.166 0.000 1.050 101 S CB 0.250 63.341 63.200 -0.182 0.000 0.937 101 S HN 0.795 nan 8.310 nan 0.000 0.492 102 L N 4.238 125.502 121.223 0.068 0.000 2.965 102 L HA 0.286 4.564 4.340 -0.103 0.000 0.254 102 L C 0.926 177.840 176.870 0.073 0.000 1.220 102 L CA -0.136 54.787 54.840 0.139 0.000 1.023 102 L CB 0.118 42.315 42.059 0.229 0.000 1.355 102 L HN 0.604 nan 8.230 nan 0.000 0.545 103 D N 1.009 121.419 120.400 0.016 0.000 2.219 103 D HA -0.167 4.411 4.640 -0.103 0.000 0.205 103 D C 1.792 178.093 176.300 0.000 0.000 0.970 103 D CA 1.102 55.103 54.000 0.002 0.000 0.851 103 D CB 0.286 41.072 40.800 -0.022 0.000 0.943 103 D HN 0.469 nan 8.370 nan 0.000 0.488 104 Q N 0.739 120.540 119.800 0.002 0.000 2.403 104 Q HA 0.049 4.327 4.340 -0.103 0.000 0.203 104 Q C 0.263 176.278 176.000 0.026 0.000 0.932 104 Q CA 0.196 56.002 55.803 0.005 0.000 0.945 104 Q CB -0.134 28.602 28.738 -0.003 0.000 1.045 104 Q HN -0.059 nan 8.270 nan 0.000 0.511 105 E N 0.831 121.060 120.200 0.048 0.000 2.384 105 E HA 0.119 4.408 4.350 -0.103 0.000 0.266 105 E C 0.802 177.429 176.600 0.046 0.000 1.012 105 E CA 0.594 57.033 56.400 0.065 0.000 0.901 105 E CB 0.944 30.702 29.700 0.097 0.000 0.967 105 E HN 0.373 nan 8.360 nan 0.000 0.435 106 A N 3.491 126.342 122.820 0.052 0.000 1.958 106 A HA -0.189 4.069 4.320 -0.103 0.000 0.221 106 A C 1.817 179.433 177.584 0.054 0.000 1.178 106 A CA 2.128 54.194 52.037 0.049 0.000 0.642 106 A CB -0.472 18.570 19.000 0.070 0.000 0.816 106 A HN 0.633 nan 8.150 nan 0.000 0.453 107 G N -1.902 106.962 108.800 0.107 0.000 3.189 107 G HA2 0.341 4.239 3.960 -0.103 0.000 0.225 107 G HA3 0.341 4.239 3.960 -0.103 0.000 0.225 107 G C 1.311 176.270 174.900 0.097 0.000 1.159 107 G CA 0.934 46.150 45.100 0.193 0.000 0.763 107 G HN 0.714 nan 8.290 nan 0.000 0.549 108 A N 2.308 125.148 122.820 0.033 0.000 1.917 108 A HA -0.144 4.114 4.320 -0.103 0.000 0.219 108 A C 2.298 179.863 177.584 -0.031 0.000 1.182 108 A CA 2.054 54.110 52.037 0.031 0.000 0.633 108 A CB -0.341 18.670 19.000 0.018 0.000 0.819 108 A HN 0.513 nan 8.150 nan 0.000 0.448 109 K N -1.798 118.498 120.400 -0.175 0.000 2.152 109 K HA -0.203 4.056 4.320 -0.103 0.000 0.206 109 K C 1.663 178.147 176.600 -0.194 0.000 1.048 109 K CA 1.786 57.927 56.287 -0.243 0.000 0.933 109 K CB -0.545 31.722 32.500 -0.388 0.000 0.721 109 K HN 0.499 nan 8.250 nan 0.000 0.447 110 Y N 1.506 121.839 120.300 0.056 0.000 2.269 110 Y HA -0.030 4.458 4.550 -0.104 0.000 0.294 110 Y C 2.550 178.501 175.900 0.084 0.000 1.120 110 Y CA 0.089 58.228 58.100 0.064 0.000 1.159 110 Y CB -0.605 37.891 38.460 0.060 0.000 1.024 110 Y HN -0.204 nan 8.280 nan 0.000 0.532 111 V N 0.493 120.551 119.914 0.241 0.000 2.407 111 V HA -0.287 3.771 4.120 -0.103 0.000 0.248 111 V C 1.891 178.075 176.094 0.150 0.000 1.055 111 V CA 1.849 64.281 62.300 0.220 0.000 1.049 111 V CB -0.577 31.397 31.823 0.251 0.000 0.662 111 V HN 0.355 nan 8.190 nan 0.000 0.455 112 K N 0.140 120.597 120.400 0.096 0.000 2.515 112 K HA 0.089 4.347 4.320 -0.103 0.000 0.196 112 K C 1.323 177.951 176.600 0.046 0.000 1.038 112 K CA 0.956 57.272 56.287 0.048 0.000 0.967 112 K CB -0.048 32.463 32.500 0.019 0.000 0.780 112 K HN 0.485 nan 8.250 nan 0.000 0.483 113 A N 0.304 123.175 122.820 0.084 0.000 2.624 113 A HA 0.265 4.523 4.320 -0.103 0.000 0.287 113 A C 0.050 177.711 177.584 0.129 0.000 1.087 113 A CA -0.518 51.573 52.037 0.090 0.000 0.964 113 A CB 0.069 19.128 19.000 0.098 0.000 1.231 113 A HN 0.081 nan 8.150 nan 0.000 0.551 114 M N 1.392 121.083 119.600 0.151 0.000 2.284 114 M HA 0.023 4.441 4.480 -0.103 0.000 0.351 114 M C 1.625 178.121 176.300 0.327 0.000 1.443 114 M CA 0.885 56.334 55.300 0.249 0.000 1.031 114 M CB 0.612 33.420 32.600 0.347 0.000 1.893 114 M HN 0.479 nan 8.290 nan 0.000 0.456 115 T N -0.256 114.478 114.554 0.300 0.000 3.057 115 T HA 0.124 4.413 4.350 -0.103 0.000 0.254 115 T C 0.337 175.264 174.700 0.379 0.000 1.094 115 T CA 0.383 62.666 62.100 0.304 0.000 1.088 115 T CB 0.100 69.082 68.868 0.190 0.000 0.934 115 T HN 0.832 nan 8.240 nan 0.000 0.497 116 Q N -1.306 118.651 119.800 0.261 0.000 2.894 116 Q HA 0.603 4.881 4.340 -0.103 0.000 0.328 116 Q C -0.436 175.477 176.000 -0.145 0.000 0.807 116 Q CA -0.925 54.806 55.803 -0.119 0.000 0.831 116 Q CB 0.689 29.399 28.738 -0.047 0.000 1.389 116 Q HN 0.501 nan 8.270 nan 0.000 0.489 117 G N -0.716 107.941 108.800 -0.238 0.000 2.340 117 G HA2 0.410 4.308 3.960 -0.103 0.000 0.282 117 G HA3 0.410 4.308 3.960 -0.103 0.000 0.282 117 G C -1.499 173.372 174.900 -0.049 0.000 1.312 117 G CA -0.178 44.889 45.100 -0.055 0.000 0.942 117 G HN 0.821 nan 8.290 nan 0.000 0.495 118 T N 0.026 114.629 114.554 0.083 0.000 2.916 118 T HA 0.663 4.951 4.350 -0.103 0.000 0.298 118 T C -0.925 173.885 174.700 0.184 0.000 1.031 118 T CA -0.285 61.873 62.100 0.097 0.000 0.993 118 T CB 1.726 70.594 68.868 0.000 0.000 1.045 118 T HN 0.649 nan 8.240 nan 0.000 0.454 119 I N 2.837 123.492 120.570 0.141 0.000 2.466 119 I HA 0.600 4.708 4.170 -0.103 0.000 0.289 119 I C -0.779 175.379 176.117 0.069 0.000 1.026 119 I CA -0.631 60.705 61.300 0.060 0.000 1.078 119 I CB 1.876 39.875 38.000 -0.003 0.000 1.249 119 I HN 0.606 nan 8.210 nan 0.000 0.429 120 I N 7.978 128.581 120.570 0.054 0.000 2.499 120 I HA 0.707 4.815 4.170 -0.103 0.000 0.288 120 I C -1.608 174.532 176.117 0.038 0.000 1.048 120 I CA -0.618 60.720 61.300 0.062 0.000 1.062 120 I CB 1.184 39.230 38.000 0.077 0.000 1.238 120 I HN 0.607 nan 8.210 nan 0.000 0.426 121 L N 3.843 125.109 121.223 0.071 0.000 2.472 121 L HA 0.670 4.948 4.340 -0.103 0.000 0.260 121 L C -1.134 175.845 176.870 0.183 0.000 0.963 121 L CA -0.622 54.274 54.840 0.093 0.000 0.829 121 L CB 1.859 43.954 42.059 0.060 0.000 1.348 121 L HN 0.504 nan 8.230 nan 0.000 0.408 122 S N 1.587 117.396 115.700 0.182 0.000 2.442 122 S HA 0.801 5.209 4.470 -0.103 0.000 0.297 122 S C -1.027 173.816 174.600 0.405 0.000 1.131 122 S CA -0.312 58.026 58.200 0.230 0.000 1.092 122 S CB 0.565 63.822 63.200 0.095 0.000 0.998 122 S HN 0.737 nan 8.310 nan 0.000 0.478 123 Y N 1.671 122.200 120.300 0.382 0.000 2.625 123 Y HA 0.701 5.198 4.550 -0.088 0.000 0.338 123 Y C -1.173 174.775 175.900 0.080 0.000 1.123 123 Y CA -1.234 57.049 58.100 0.304 0.000 1.046 123 Y CB 1.194 39.726 38.460 0.120 0.000 1.299 123 Y HN 0.568 nan 8.280 nan 0.000 0.464 124 K N 2.294 122.599 120.400 -0.158 0.000 2.579 124 K HA 0.494 4.752 4.320 -0.103 0.000 0.250 124 K C -1.425 175.220 176.600 0.076 0.000 0.952 124 K CA -0.543 55.464 56.287 -0.467 0.000 0.857 124 K CB 1.654 33.459 32.500 -1.158 0.000 1.123 124 K HN 0.817 nan 8.250 nan 0.000 0.433 125 S N 2.251 118.091 115.700 0.234 0.000 2.489 125 S HA 0.133 4.541 4.470 -0.103 0.000 0.277 125 S C 0.726 175.272 174.600 -0.090 0.000 1.230 125 S CA -0.273 57.993 58.200 0.109 0.000 1.053 125 S CB 0.717 64.102 63.200 0.309 0.000 0.955 125 S HN 0.693 nan 8.310 nan 0.000 0.488 126 T N 0.897 115.321 114.554 -0.217 0.000 3.085 126 T HA 0.291 4.579 4.350 -0.103 0.000 0.264 126 T C 0.507 175.120 174.700 -0.144 0.000 1.019 126 T CA -0.357 61.649 62.100 -0.156 0.000 0.910 126 T CB 0.154 68.931 68.868 -0.151 0.000 1.059 126 T HN 0.409 nan 8.240 nan 0.000 0.542 127 S N 0.406 116.003 115.700 -0.171 0.000 2.549 127 S HA 0.428 4.836 4.470 -0.103 0.000 0.297 127 S C 0.388 174.956 174.600 -0.052 0.000 1.115 127 S CA -0.585 57.542 58.200 -0.120 0.000 1.059 127 S CB 1.344 64.445 63.200 -0.165 0.000 1.046 127 S HN 0.145 nan 8.310 nan 0.000 0.506 128 E N 2.183 122.365 120.200 -0.031 0.000 2.465 128 E HA 0.195 4.483 4.350 -0.103 0.000 0.195 128 E C -0.492 176.116 176.600 0.013 0.000 1.028 128 E CA -0.141 56.257 56.400 -0.004 0.000 0.899 128 E CB -0.171 29.524 29.700 -0.008 0.000 1.032 128 E HN 0.500 nan 8.360 nan 0.000 0.468 129 N N 0.627 119.336 118.700 0.014 0.000 2.458 129 N HA -0.022 4.656 4.740 -0.103 0.000 0.258 129 N C 1.335 176.881 175.510 0.059 0.000 1.219 129 N CA 0.498 53.569 53.050 0.035 0.000 0.902 129 N CB 0.924 39.436 38.487 0.043 0.000 1.076 129 N HN 0.105 nan 8.380 nan 0.000 0.455 130 G N 2.460 111.295 108.800 0.058 0.000 2.586 130 G HA2 -0.174 3.724 3.960 -0.103 0.000 0.218 130 G HA3 -0.174 3.724 3.960 -0.103 0.000 0.218 130 G C 0.480 175.426 174.900 0.076 0.000 1.216 130 G CA 0.710 45.848 45.100 0.063 0.000 0.786 130 G HN 0.606 nan 8.290 nan 0.000 0.583 131 I N 0.177 120.794 120.570 0.079 0.000 2.406 131 I HA 0.337 4.445 4.170 -0.103 0.000 0.290 131 I C -0.901 175.302 176.117 0.143 0.000 0.999 131 I CA -0.329 61.004 61.300 0.055 0.000 1.124 131 I CB 2.186 40.108 38.000 -0.130 0.000 1.289 131 I HN 0.144 nan 8.210 nan 0.000 0.441 132 Q N 4.656 124.570 119.800 0.190 0.000 2.347 132 Q HA 0.370 4.649 4.340 -0.103 0.000 0.265 132 Q C -0.963 175.186 176.000 0.248 0.000 1.024 132 Q CA -0.533 55.426 55.803 0.260 0.000 0.731 132 Q CB 2.262 31.194 28.738 0.324 0.000 1.245 132 Q HN 0.577 nan 8.270 nan 0.000 0.472 133 S N 2.690 118.554 115.700 0.274 0.000 2.531 133 S HA 0.086 4.494 4.470 -0.103 0.000 0.279 133 S C 0.740 175.359 174.600 0.031 0.000 1.305 133 S CA -0.316 58.031 58.200 0.246 0.000 1.058 133 S CB 0.618 63.999 63.200 0.301 0.000 0.899 133 S HN 0.473 nan 8.310 nan 0.000 0.493 134 L N 2.302 123.472 121.223 -0.088 0.000 2.168 134 L HA 0.456 4.734 4.340 -0.103 0.000 0.203 134 L C 0.185 177.050 176.870 -0.008 0.000 1.078 134 L CA 1.333 56.006 54.840 -0.280 0.000 0.780 134 L CB -0.470 41.401 42.059 -0.313 0.000 0.939 134 L HN 0.701 nan 8.230 nan 0.000 0.451 135 F N -0.712 119.197 119.950 -0.068 0.000 2.608 135 F HA 0.557 5.026 4.527 -0.097 0.000 0.309 135 F C -0.643 175.192 175.800 0.058 0.000 1.103 135 F CA -0.816 57.197 58.000 0.022 0.000 0.954 135 F CB 1.704 40.744 39.000 0.066 0.000 1.267 135 F HN -0.086 nan 8.300 nan 0.000 0.444 136 S N 3.692 118.997 115.700 -0.660 0.000 2.570 136 S HA 0.908 5.316 4.470 -0.103 0.000 0.270 136 S C -2.164 172.119 174.600 -0.528 0.000 1.149 136 S CA -0.773 57.154 58.200 -0.455 0.000 0.837 136 S CB 1.774 64.860 63.200 -0.190 0.000 1.124 136 S HN 0.725 nan 8.310 nan 0.000 0.465 137 V N 1.009 120.809 119.914 -0.190 0.000 2.668 137 V HA 0.930 4.988 4.120 -0.103 0.000 0.304 137 V C 0.518 176.627 176.094 0.026 0.000 1.071 137 V CA 0.465 62.708 62.300 -0.094 0.000 0.894 137 V CB 1.290 33.099 31.823 -0.024 0.000 1.008 137 V HN 1.571 nan 8.190 nan 0.000 0.425 138 G N 2.996 111.800 108.800 0.006 0.000 2.427 138 G HA2 0.303 4.201 3.960 -0.103 0.000 0.306 138 G HA3 0.303 4.201 3.960 -0.103 0.000 0.306 138 G C -1.780 173.127 174.900 0.012 0.000 1.280 138 G CA -0.619 44.510 45.100 0.047 0.000 0.837 138 G HN 0.537 nan 8.290 nan 0.000 0.482 139 N N 0.347 119.058 118.700 0.019 0.000 2.457 139 N HA 0.339 5.017 4.740 -0.103 0.000 0.250 139 N C 1.279 176.782 175.510 -0.012 0.000 0.982 139 N CA 0.233 53.280 53.050 -0.006 0.000 0.941 139 N CB 1.612 40.090 38.487 -0.016 0.000 1.120 139 N HN 0.567 nan 8.380 nan 0.000 0.505 140 S N 0.888 116.571 115.700 -0.029 0.000 2.603 140 S HA -0.028 4.380 4.470 -0.103 0.000 0.220 140 S C 0.944 175.519 174.600 -0.041 0.000 0.967 140 S CA -0.021 58.154 58.200 -0.043 0.000 0.920 140 S CB -0.648 62.522 63.200 -0.051 0.000 0.773 140 S HN 0.619 nan 8.310 nan 0.000 0.529 141 T N 0.344 114.877 114.554 -0.034 0.000 2.813 141 T HA 0.639 4.927 4.350 -0.103 0.000 0.297 141 T C 0.415 175.094 174.700 -0.035 0.000 1.036 141 T CA -0.319 61.761 62.100 -0.034 0.000 1.044 141 T CB 0.685 69.535 68.868 -0.030 0.000 0.993 141 T HN 0.499 nan 8.240 nan 0.000 0.535 142 A N 0.403 123.203 122.820 -0.034 0.000 2.540 142 A HA 0.495 4.753 4.320 -0.103 0.000 0.239 142 A C 1.734 179.298 177.584 -0.034 0.000 1.061 142 A CA 0.195 52.211 52.037 -0.034 0.000 0.758 142 A CB -1.431 17.551 19.000 -0.031 0.000 0.991 142 A HN 2.366 nan 8.150 nan 0.000 0.502 143 G N 1.966 110.745 108.800 -0.035 0.000 2.189 143 G HA2 -0.313 3.585 3.960 -0.103 0.000 0.267 143 G HA3 -0.313 3.585 3.960 -0.103 0.000 0.267 143 G C 0.254 175.129 174.900 -0.042 0.000 0.975 143 G CA 0.891 45.969 45.100 -0.037 0.000 0.644 143 G HN 0.948 nan 8.290 nan 0.000 0.537 144 N N 0.681 119.357 118.700 -0.040 0.000 2.401 144 N HA 0.192 4.870 4.740 -0.103 0.000 0.264 144 N C 1.898 177.391 175.510 -0.028 0.000 1.238 144 N CA 0.287 53.310 53.050 -0.044 0.000 0.889 144 N CB 0.304 38.767 38.487 -0.041 0.000 1.196 144 N HN 0.538 nan 8.380 nan 0.000 0.511 145 Q N -0.345 119.442 119.800 -0.022 0.000 2.364 145 Q HA -0.102 4.176 4.340 -0.103 0.000 0.207 145 Q C -0.332 175.701 176.000 0.055 0.000 0.970 145 Q CA 1.317 57.129 55.803 0.014 0.000 0.888 145 Q CB 0.044 28.770 28.738 -0.020 0.000 0.951 145 Q HN 0.239 nan 8.270 nan 0.000 0.469 146 D N 0.989 121.352 120.400 -0.062 0.000 2.427 146 D HA 0.161 4.739 4.640 -0.103 0.000 0.224 146 D C -0.338 175.752 176.300 -0.350 0.000 1.157 146 D CA -0.018 53.863 54.000 -0.198 0.000 0.828 146 D CB 0.308 41.018 40.800 -0.150 0.000 0.974 146 D HN 0.187 nan 8.370 nan 0.000 0.498 147 R N 1.836 122.192 120.500 -0.240 0.000 2.423 147 R HA 0.291 4.570 4.340 -0.103 0.000 0.293 147 R C -0.158 176.091 176.300 -0.085 0.000 1.196 147 R CA -0.391 55.581 56.100 -0.213 0.000 1.262 147 R CB 0.579 30.805 30.300 -0.125 0.000 1.116 147 R HN 0.278 nan 8.270 nan 0.000 0.566 148 H N 0.007 119.068 119.070 -0.016 0.000 2.935 148 H HA 0.270 4.764 4.556 -0.103 0.000 0.297 148 H C -1.891 173.527 175.328 0.151 0.000 1.423 148 H CA -0.870 55.199 56.048 0.034 0.000 1.161 148 H CB 1.189 30.937 29.762 -0.024 0.000 1.841 148 H HN 0.268 nan 8.280 nan 0.000 0.506 149 F N 2.940 123.034 119.950 0.239 0.000 2.529 149 F HA 0.527 4.990 4.527 -0.106 0.000 0.320 149 F C -1.376 174.607 175.800 0.305 0.000 1.118 149 F CA -0.278 57.859 58.000 0.229 0.000 0.915 149 F CB 1.695 40.702 39.000 0.012 0.000 1.161 149 F HN 0.874 nan 8.300 nan 0.000 0.445 150 H N 5.632 124.169 119.070 -0.888 0.000 3.046 150 H HA 0.499 4.993 4.556 -0.103 0.000 0.363 150 H C -1.946 173.043 175.328 -0.564 0.000 1.203 150 H CA -1.244 54.410 56.048 -0.655 0.000 1.169 150 H CB 1.263 30.906 29.762 -0.199 0.000 1.851 150 H HN 0.712 nan 8.280 nan 0.000 0.546 151 I N 3.659 123.988 120.570 -0.401 0.000 2.377 151 I HA 0.313 4.421 4.170 -0.103 0.000 0.293 151 I C -0.844 175.128 176.117 -0.241 0.000 0.987 151 I CA -0.949 60.166 61.300 -0.309 0.000 1.185 151 I CB 1.030 39.006 38.000 -0.039 0.000 1.341 151 I HN 0.583 nan 8.210 nan 0.000 0.455 152 Y N 6.137 126.233 120.300 -0.339 0.000 2.609 152 Y HA 0.865 5.354 4.550 -0.101 0.000 0.342 152 Y C -1.027 174.775 175.900 -0.163 0.000 1.058 152 Y CA -1.587 56.373 58.100 -0.233 0.000 1.055 152 Y CB 1.086 39.385 38.460 -0.268 0.000 1.292 152 Y HN 0.466 nan 8.280 nan 0.000 0.476 153 I N -0.180 120.420 120.570 0.049 0.000 2.892 153 I HA 0.926 5.034 4.170 -0.103 0.000 0.306 153 I C -0.469 175.783 176.117 0.225 0.000 1.078 153 I CA -0.981 60.347 61.300 0.047 0.000 1.032 153 I CB 2.570 40.555 38.000 -0.024 0.000 1.229 153 I HN 0.874 nan 8.210 nan 0.000 0.435 154 T N -1.220 113.448 114.554 0.189 0.000 2.942 154 T HA 0.339 4.628 4.350 -0.103 0.000 0.289 154 T C 0.604 175.387 174.700 0.138 0.000 1.044 154 T CA -0.413 61.790 62.100 0.172 0.000 1.023 154 T CB 1.432 70.401 68.868 0.169 0.000 1.123 154 T HN 0.892 nan 8.240 nan 0.000 0.512 155 N N 0.222 118.990 118.700 0.113 0.000 2.520 155 N HA -0.113 4.565 4.740 -0.103 0.000 0.185 155 N C 1.273 176.842 175.510 0.098 0.000 1.068 155 N CA 0.607 53.715 53.050 0.097 0.000 0.911 155 N CB -0.107 38.422 38.487 0.070 0.000 0.961 155 N HN 0.587 nan 8.380 nan 0.000 0.446 156 S N -1.382 114.383 115.700 0.108 0.000 2.572 156 S HA 0.400 4.808 4.470 -0.103 0.000 0.228 156 S C 1.317 175.994 174.600 0.128 0.000 0.963 156 S CA -0.092 58.176 58.200 0.114 0.000 0.939 156 S CB 0.249 63.515 63.200 0.110 0.000 0.804 156 S HN 0.525 nan 8.310 nan 0.000 0.480 157 G N 0.360 109.239 108.800 0.132 0.000 2.159 157 G HA2 -0.136 3.763 3.960 -0.103 0.000 0.256 157 G HA3 -0.136 3.763 3.960 -0.103 0.000 0.256 157 G C 0.442 175.415 174.900 0.120 0.000 0.977 157 G CA -0.260 44.923 45.100 0.137 0.000 0.652 157 G HN 1.075 nan 8.290 nan 0.000 0.531 158 G N -0.721 108.147 108.800 0.113 0.000 2.572 158 G HA2 0.622 4.520 3.960 -0.103 0.000 0.261 158 G HA3 0.622 4.520 3.960 -0.103 0.000 0.261 158 G C -0.314 174.602 174.900 0.027 0.000 1.197 158 G CA 0.053 45.204 45.100 0.085 0.000 0.870 158 G HN 1.123 nan 8.290 nan 0.000 0.548 159 I N -0.097 120.431 120.570 -0.070 0.000 2.752 159 I HA 0.732 4.840 4.170 -0.103 0.000 0.295 159 I C 0.051 175.918 176.117 -0.416 0.000 1.219 159 I CA -0.410 60.742 61.300 -0.247 0.000 1.030 159 I CB 2.124 40.056 38.000 -0.113 0.000 1.259 159 I HN 0.909 nan 8.210 nan 0.000 0.423 160 G N 6.164 114.441 108.800 -0.871 0.000 2.488 160 G HA2 0.569 4.468 3.960 -0.103 0.000 0.301 160 G HA3 0.569 4.468 3.960 -0.103 0.000 0.301 160 G C -1.904 172.544 174.900 -0.753 0.000 1.339 160 G CA -0.529 44.151 45.100 -0.700 0.000 0.803 160 G HN 0.880 nan 8.290 nan 0.000 0.482 161 I N -3.335 117.081 120.570 -0.256 0.000 2.969 161 I HA 0.889 4.997 4.170 -0.103 0.000 0.307 161 I C -1.198 174.975 176.117 0.093 0.000 1.149 161 I CA -1.024 60.200 61.300 -0.128 0.000 1.008 161 I CB 2.764 40.809 38.000 0.074 0.000 1.232 161 I HN 0.443 nan 8.210 nan 0.000 0.435 162 E N 4.248 124.503 120.200 0.091 0.000 2.260 162 E HA 0.468 4.756 4.350 -0.103 0.000 0.266 162 E C -1.621 175.183 176.600 0.340 0.000 0.887 162 E CA -0.644 55.917 56.400 0.268 0.000 0.777 162 E CB 3.133 33.058 29.700 0.374 0.000 1.205 162 E HN 0.528 nan 8.360 nan 0.000 0.414 163 L N 4.236 125.692 121.223 0.389 0.000 2.316 163 L HA 0.515 4.793 4.340 -0.103 0.000 0.280 163 L C -0.854 176.226 176.870 0.350 0.000 1.006 163 L CA -0.410 54.706 54.840 0.459 0.000 0.836 163 L CB 0.472 42.800 42.059 0.448 0.000 1.221 163 L HN 0.435 nan 8.230 nan 0.000 0.418 164 R N 3.507 124.102 120.500 0.159 0.000 2.744 164 R HA 0.340 4.618 4.340 -0.103 0.000 0.279 164 R C -0.692 175.293 176.300 -0.526 0.000 0.977 164 R CA -0.674 55.307 56.100 -0.199 0.000 0.906 164 R CB 2.189 32.300 30.300 -0.317 0.000 1.197 164 R HN 0.573 nan 8.270 nan 0.000 0.463 165 N N 1.117 119.257 118.700 -0.933 0.000 2.622 165 N HA -0.022 4.656 4.740 -0.103 0.000 0.293 165 N C -1.471 173.702 175.510 -0.563 0.000 1.788 165 N CA 0.276 52.843 53.050 -0.805 0.000 0.860 165 N CB 0.661 38.450 38.487 -1.163 0.000 1.388 165 N HN 0.861 nan 8.380 nan 0.000 0.496 166 T N -1.977 112.338 114.554 -0.398 0.000 0.541 166 T HA -0.133 4.155 4.350 -0.103 0.000 0.774 166 T C 0.290 174.851 174.700 -0.231 0.000 0.992 166 T CA 0.170 62.120 62.100 -0.249 0.000 4.077 166 T CB -0.681 68.080 68.868 -0.179 0.000 2.303 166 T HN 0.132 nan 8.240 nan 0.000 0.398 167 D N 2.134 122.454 120.400 -0.133 0.000 2.221 167 D HA 0.005 4.583 4.640 -0.103 0.000 0.204 167 D C 2.237 178.505 176.300 -0.052 0.000 0.982 167 D CA 1.938 55.894 54.000 -0.074 0.000 0.857 167 D CB -0.902 39.880 40.800 -0.031 0.000 0.934 167 D HN 0.976 nan 8.370 nan 0.000 0.475 168 G N 0.188 108.948 108.800 -0.066 0.000 2.484 168 G HA2 -0.080 3.818 3.960 -0.103 0.000 0.218 168 G HA3 -0.080 3.818 3.960 -0.103 0.000 0.218 168 G C 1.704 176.581 174.900 -0.037 0.000 1.130 168 G CA 0.439 45.516 45.100 -0.039 0.000 0.784 168 G HN 0.253 nan 8.290 nan 0.000 0.543 169 V N -0.450 119.401 119.914 -0.105 0.000 2.403 169 V HA 0.401 4.459 4.120 -0.103 0.000 0.239 169 V C 0.375 176.480 176.094 0.019 0.000 1.041 169 V CA 1.349 63.596 62.300 -0.088 0.000 1.051 169 V CB -0.519 31.167 31.823 -0.228 0.000 0.704 169 V HN 0.401 nan 8.190 nan 0.000 0.472 170 F N -0.913 118.958 119.950 -0.131 0.000 2.708 170 F HA 0.687 5.152 4.527 -0.104 0.000 0.309 170 F C -1.353 174.336 175.800 -0.185 0.000 1.120 170 F CA -1.435 56.431 58.000 -0.224 0.000 0.978 170 F CB 1.191 39.856 39.000 -0.558 0.000 1.283 170 F HN -0.058 nan 8.300 nan 0.000 0.439 171 N N 2.083 120.892 118.700 0.181 0.000 2.751 171 N HA 0.265 4.943 4.740 -0.103 0.000 0.238 171 N C -2.307 173.447 175.510 0.407 0.000 1.351 171 N CA -0.393 52.773 53.050 0.192 0.000 0.751 171 N CB 0.355 38.906 38.487 0.106 0.000 1.342 171 N HN 0.606 nan 8.380 nan 0.000 0.540 172 Y N 0.785 121.220 120.300 0.225 0.000 2.313 172 Y HA 0.512 4.999 4.550 -0.104 0.000 0.332 172 Y C 0.966 176.958 175.900 0.154 0.000 1.071 172 Y CA -0.914 57.278 58.100 0.152 0.000 1.169 172 Y CB 1.043 39.569 38.460 0.110 0.000 1.192 172 Y HN 0.353 nan 8.280 nan 0.000 0.487 173 T N 1.547 116.254 114.554 0.255 0.000 2.906 173 T HA 0.785 5.073 4.350 -0.103 0.000 0.295 173 T C -1.433 173.341 174.700 0.124 0.000 1.061 173 T CA -0.858 61.356 62.100 0.191 0.000 1.000 173 T CB 2.199 71.165 68.868 0.164 0.000 1.103 173 T HN 0.388 nan 8.240 nan 0.000 0.486 174 L N 1.832 123.117 121.223 0.103 0.000 2.565 174 L HA 0.729 5.007 4.340 -0.103 0.000 0.261 174 L C -1.960 174.919 176.870 0.015 0.000 0.932 174 L CA -0.145 54.725 54.840 0.050 0.000 0.878 174 L CB 2.021 44.107 42.059 0.045 0.000 1.333 174 L HN 1.146 nan 8.230 nan 0.000 0.409 175 D N 3.208 123.610 120.400 0.003 0.000 2.692 175 D HA 0.447 5.025 4.640 -0.103 0.000 0.290 175 D C -1.525 174.767 176.300 -0.013 0.000 1.281 175 D CA -0.789 53.196 54.000 -0.026 0.000 0.804 175 D CB 2.208 43.027 40.800 0.031 0.000 1.331 175 D HN 0.568 nan 8.370 nan 0.000 0.432 176 R N 0.655 121.145 120.500 -0.017 0.000 2.523 176 R HA 0.382 4.660 4.340 -0.103 0.000 0.278 176 R C -3.053 173.262 176.300 0.024 0.000 1.150 176 R CA -1.239 54.864 56.100 0.004 0.000 0.987 176 R CB 2.366 32.660 30.300 -0.009 0.000 1.232 176 R HN 0.252 nan 8.270 nan 0.000 0.424 177 P HA 0.072 nan 4.420 nan 0.000 0.272 177 P C -0.628 176.723 177.300 0.084 0.000 1.240 177 P CA 0.250 63.397 63.100 0.078 0.000 0.791 177 P CB 0.680 32.437 31.700 0.095 0.000 0.978 178 A N 0.779 123.668 122.820 0.114 0.000 2.596 178 A HA -0.207 4.051 4.320 -0.103 0.000 0.300 178 A C 1.330 178.970 177.584 0.093 0.000 1.495 178 A CA 1.385 53.498 52.037 0.127 0.000 0.769 178 A CB -2.470 16.634 19.000 0.174 0.000 1.047 178 A HN 0.409 nan 8.150 nan 0.000 0.436 179 S N -2.004 113.748 115.700 0.086 0.000 2.497 179 S HA 0.349 4.757 4.470 -0.103 0.000 0.221 179 S C 0.902 175.564 174.600 0.104 0.000 1.037 179 S CA 0.745 58.990 58.200 0.075 0.000 0.920 179 S CB 0.339 63.571 63.200 0.053 0.000 0.800 179 S HN 1.777 nan 8.310 nan 0.000 0.505 180 V N 0.719 120.710 119.914 0.129 0.000 3.126 180 V HA 0.808 4.866 4.120 -0.103 0.000 0.314 180 V C -0.777 175.402 176.094 0.141 0.000 1.138 180 V CA -1.492 60.901 62.300 0.155 0.000 1.034 180 V CB 1.973 33.937 31.823 0.234 0.000 1.075 180 V HN 0.394 nan 8.190 nan 0.000 0.442 181 R N 1.383 121.950 120.500 0.111 0.000 2.912 181 R HA 0.958 5.236 4.340 -0.103 0.000 0.262 181 R C 0.049 176.372 176.300 0.037 0.000 1.057 181 R CA -0.244 55.904 56.100 0.080 0.000 0.981 181 R CB 1.991 32.325 30.300 0.057 0.000 1.201 181 R HN 0.906 nan 8.270 nan 0.000 0.484 182 A N 0.780 123.616 122.820 0.026 0.000 1.999 182 A HA 0.306 4.564 4.320 -0.103 0.000 0.200 182 A C 0.209 177.760 177.584 -0.056 0.000 1.363 182 A CA -0.002 52.034 52.037 -0.002 0.000 0.844 182 A CB 0.391 19.410 19.000 0.031 0.000 0.954 182 A HN 0.490 nan 8.150 nan 0.000 0.481 183 L N -0.740 120.466 121.223 -0.029 0.000 2.386 183 L HA 0.690 4.969 4.340 -0.103 0.000 0.271 183 L C -1.742 175.162 176.870 0.057 0.000 0.993 183 L CA -0.933 53.892 54.840 -0.026 0.000 0.819 183 L CB 2.307 44.342 42.059 -0.040 0.000 1.294 183 L HN 0.284 nan 8.230 nan 0.000 0.414 184 Y N 4.582 124.813 120.300 -0.114 0.000 2.354 184 Y HA 0.358 4.847 4.550 -0.103 0.000 0.330 184 Y C -0.366 175.566 175.900 0.052 0.000 1.011 184 Y CA -1.323 56.754 58.100 -0.038 0.000 1.099 184 Y CB 1.175 39.528 38.460 -0.179 0.000 1.179 184 Y HN 0.655 nan 8.280 nan 0.000 0.442 185 K N 4.873 125.142 120.400 -0.217 0.000 3.257 185 K HA -0.218 4.040 4.320 -0.103 0.000 0.270 185 K C 0.859 177.453 176.600 -0.010 0.000 0.984 185 K CA 1.046 57.279 56.287 -0.090 0.000 0.739 185 K CB -1.588 30.701 32.500 -0.352 0.000 1.351 185 K HN 1.428 nan 8.250 nan 0.000 0.463 186 G N -0.395 108.377 108.800 -0.047 0.000 2.184 186 G HA2 -0.324 3.574 3.960 -0.103 0.000 0.264 186 G HA3 -0.324 3.574 3.960 -0.103 0.000 0.264 186 G C -0.157 174.712 174.900 -0.053 0.000 0.975 186 G CA 0.887 45.942 45.100 -0.075 0.000 0.642 186 G HN 0.502 nan 8.290 nan 0.000 0.536 187 E N -0.365 119.816 120.200 -0.032 0.000 2.340 187 E HA 0.480 4.768 4.350 -0.103 0.000 0.273 187 E C -0.114 176.467 176.600 -0.031 0.000 0.891 187 E CA -1.198 55.189 56.400 -0.022 0.000 0.757 187 E CB 1.161 30.865 29.700 0.007 0.000 1.231 187 E HN 0.095 nan 8.360 nan 0.000 0.439 188 R N 1.282 121.750 120.500 -0.053 0.000 2.484 188 R HA 0.125 4.403 4.340 -0.103 0.000 0.293 188 R C -0.047 176.186 176.300 -0.111 0.000 1.023 188 R CA 0.013 56.056 56.100 -0.095 0.000 1.037 188 R CB -0.043 30.186 30.300 -0.117 0.000 0.951 188 R HN 0.371 nan 8.270 nan 0.000 0.418 189 V N 0.397 120.212 119.914 -0.164 0.000 2.919 189 V HA 0.585 4.643 4.120 -0.103 0.000 0.316 189 V C -0.109 175.877 176.094 -0.180 0.000 1.077 189 V CA -1.196 61.023 62.300 -0.134 0.000 0.977 189 V CB 1.531 33.138 31.823 -0.361 0.000 1.039 189 V HN 0.413 nan 8.190 nan 0.000 0.441 190 F N 1.897 121.835 119.950 -0.020 0.000 2.389 190 F HA 0.538 5.063 4.527 -0.004 0.000 0.337 190 F C 0.572 176.321 175.800 -0.085 0.000 1.112 190 F CA 0.362 58.307 58.000 -0.092 0.000 1.192 190 F CB 1.027 40.017 39.000 -0.017 0.000 1.185 190 F HN 0.644 nan 8.300 nan 0.000 0.552 191 N N -0.195 118.405 118.700 -0.168 0.000 2.292 191 N HA 0.556 5.235 4.740 -0.103 0.000 0.303 191 N C -1.450 174.050 175.510 -0.018 0.000 1.140 191 N CA -0.825 52.167 53.050 -0.096 0.000 0.788 191 N CB 1.953 40.318 38.487 -0.204 0.000 1.361 191 N HN 0.362 nan 8.380 nan 0.000 0.489 192 T N 0.334 114.946 114.554 0.096 0.000 2.809 192 T HA 0.590 4.878 4.350 -0.103 0.000 0.284 192 T C -0.337 174.459 174.700 0.160 0.000 0.992 192 T CA -0.710 61.466 62.100 0.126 0.000 0.957 192 T CB 0.690 69.602 68.868 0.072 0.000 0.942 192 T HN 0.350 nan 8.240 nan 0.000 0.439 193 V N -0.031 120.002 119.914 0.199 0.000 3.074 193 V HA 1.087 5.145 4.120 -0.103 0.000 0.314 193 V C -0.807 175.380 176.094 0.154 0.000 1.117 193 V CA -1.337 61.077 62.300 0.191 0.000 1.014 193 V CB 1.589 33.538 31.823 0.210 0.000 1.057 193 V HN 1.179 nan 8.190 nan 0.000 0.438 194 A N 2.502 125.433 122.820 0.186 0.000 2.566 194 A HA 0.830 5.088 4.320 -0.103 0.000 0.297 194 A C -1.653 176.094 177.584 0.272 0.000 1.059 194 A CA -0.470 51.671 52.037 0.175 0.000 0.691 194 A CB 1.733 20.767 19.000 0.057 0.000 1.282 194 A HN 1.888 nan 8.150 nan 0.000 0.401 195 L N 1.293 122.655 121.223 0.232 0.000 2.362 195 L HA 0.756 5.034 4.340 -0.103 0.000 0.275 195 L C -0.362 176.636 176.870 0.214 0.000 0.998 195 L CA -0.240 54.760 54.840 0.267 0.000 0.820 195 L CB 1.623 43.880 42.059 0.331 0.000 1.270 195 L HN 0.689 nan 8.230 nan 0.000 0.415 196 K N 4.638 125.167 120.400 0.215 0.000 2.394 196 K HA 0.804 5.063 4.320 -0.103 0.000 0.260 196 K C -1.384 175.247 176.600 0.053 0.000 0.967 196 K CA -0.525 55.830 56.287 0.114 0.000 0.855 196 K CB 1.533 34.138 32.500 0.176 0.000 1.101 196 K HN 0.767 nan 8.250 nan 0.000 0.433 197 A N 4.253 127.017 122.820 -0.093 0.000 2.412 197 A HA 0.192 4.450 4.320 -0.103 0.000 0.334 197 A C -0.953 176.584 177.584 -0.078 0.000 1.419 197 A CA -0.619 51.337 52.037 -0.135 0.000 0.930 197 A CB 0.453 18.945 19.000 -0.845 0.000 1.149 197 A HN 0.762 nan 8.150 nan 0.000 0.515 198 D N 3.365 123.733 120.400 -0.054 0.000 2.456 198 D HA 0.485 5.064 4.640 -0.103 0.000 0.219 198 D C 1.161 177.042 176.300 -0.699 0.000 1.126 198 D CA 0.406 54.260 54.000 -0.244 0.000 0.890 198 D CB 1.239 41.958 40.800 -0.137 0.000 1.025 198 D HN 0.431 nan 8.370 nan 0.000 0.511 199 A N 3.895 126.182 122.820 -0.889 0.000 1.877 199 A HA -0.063 4.195 4.320 -0.103 0.000 0.216 199 A C 2.126 179.280 177.584 -0.716 0.000 1.186 199 A CA 1.715 52.957 52.037 -1.325 0.000 0.620 199 A CB -0.561 18.070 19.000 -0.616 0.000 0.822 199 A HN 0.601 nan 8.150 nan 0.000 0.443 200 A N -0.032 122.547 122.820 -0.402 0.000 1.940 200 A HA -0.184 4.074 4.320 -0.103 0.000 0.219 200 A C 1.765 179.219 177.584 -0.218 0.000 1.176 200 A CA 1.723 53.614 52.037 -0.244 0.000 0.631 200 A CB -0.475 18.425 19.000 -0.166 0.000 0.814 200 A HN 0.571 nan 8.150 nan 0.000 0.446 201 N N -0.696 117.862 118.700 -0.236 0.000 2.280 201 N HA 0.056 4.734 4.740 -0.103 0.000 0.192 201 N C -0.625 174.795 175.510 -0.150 0.000 1.109 201 N CA 0.208 53.164 53.050 -0.156 0.000 0.855 201 N CB 0.224 38.647 38.487 -0.106 0.000 0.974 201 N HN 0.413 nan 8.380 nan 0.000 0.482 202 K N 1.104 121.338 120.400 -0.276 0.000 3.451 202 K HA -0.238 4.020 4.320 -0.103 0.000 0.273 202 K C -0.270 176.385 176.600 0.091 0.000 0.944 202 K CA 0.555 56.782 56.287 -0.101 0.000 0.734 202 K CB -1.095 31.411 32.500 0.010 0.000 1.437 202 K HN 0.416 nan 8.250 nan 0.000 0.454 203 Q N 0.057 119.908 119.800 0.086 0.000 2.377 203 Q HA 0.469 4.747 4.340 -0.103 0.000 0.279 203 Q C -1.493 174.605 176.000 0.164 0.000 1.049 203 Q CA -0.941 54.926 55.803 0.106 0.000 0.825 203 Q CB 2.042 30.790 28.738 0.017 0.000 1.401 203 Q HN 0.361 nan 8.270 nan 0.000 0.404 204 C N 2.588 121.963 119.300 0.125 0.000 2.379 204 C HA 0.707 5.105 4.460 -0.103 0.000 0.323 204 C C -0.582 174.445 174.990 0.062 0.000 1.262 204 C CA -0.503 58.587 59.018 0.120 0.000 1.581 204 C CB 0.976 28.796 27.740 0.133 0.000 2.221 204 C HN 0.762 nan 8.230 nan 0.000 0.497 205 R N 2.451 122.996 120.500 0.075 0.000 2.628 205 R HA 0.694 4.973 4.340 -0.103 0.000 0.288 205 R C -1.533 174.753 176.300 -0.023 0.000 0.980 205 R CA -0.607 55.472 56.100 -0.034 0.000 0.891 205 R CB 1.731 31.998 30.300 -0.054 0.000 1.188 205 R HN 0.615 nan 8.270 nan 0.000 0.450 206 L N 3.374 124.470 121.223 -0.213 0.000 2.317 206 L HA 0.604 4.882 4.340 -0.103 0.000 0.281 206 L C -1.113 175.549 176.870 -0.345 0.000 1.024 206 L CA -0.590 54.187 54.840 -0.105 0.000 0.810 206 L CB 1.034 43.050 42.059 -0.071 0.000 1.240 206 L HN 0.454 nan 8.230 nan 0.000 0.427 207 F N 1.496 121.459 119.950 0.021 0.000 2.588 207 F HA 0.820 5.286 4.527 -0.100 0.000 0.314 207 F C -0.034 175.785 175.800 0.033 0.000 1.069 207 F CA -0.734 57.278 58.000 0.020 0.000 0.931 207 F CB 2.195 41.203 39.000 0.013 0.000 1.260 207 F HN 0.385 nan 8.300 nan 0.000 0.465 208 A N 1.718 124.669 122.820 0.219 0.000 2.532 208 A HA 0.566 4.824 4.320 -0.103 0.000 0.296 208 A C -0.783 176.875 177.584 0.124 0.000 1.058 208 A CA -1.007 51.126 52.037 0.160 0.000 0.729 208 A CB 0.678 19.756 19.000 0.131 0.000 1.285 208 A HN 0.828 nan 8.150 nan 0.000 0.396 209 N N 0.929 119.693 118.700 0.106 0.000 2.716 209 N HA -0.209 4.469 4.740 -0.103 0.000 0.250 209 N C 1.048 176.578 175.510 0.034 0.000 1.033 209 N CA 2.920 56.007 53.050 0.061 0.000 0.727 209 N CB -1.088 37.442 38.487 0.072 0.000 0.950 209 N HN 2.398 nan 8.380 nan 0.000 0.541 210 G N -1.785 107.046 108.800 0.052 0.000 2.157 210 G HA2 -0.288 3.610 3.960 -0.103 0.000 0.248 210 G HA3 -0.288 3.610 3.960 -0.103 0.000 0.248 210 G C -0.376 174.568 174.900 0.073 0.000 0.979 210 G CA 0.438 45.561 45.100 0.039 0.000 0.650 210 G HN 0.441 nan 8.290 nan 0.000 0.529 211 E N -0.532 119.733 120.200 0.109 0.000 2.238 211 E HA 0.546 4.834 4.350 -0.103 0.000 0.267 211 E C -0.548 176.110 176.600 0.097 0.000 0.887 211 E CA -1.101 55.352 56.400 0.088 0.000 0.769 211 E CB 2.174 31.898 29.700 0.040 0.000 1.187 211 E HN 0.300 nan 8.360 nan 0.000 0.416 212 L N 3.771 124.998 121.223 0.007 0.000 2.283 212 L HA 0.187 4.465 4.340 -0.103 0.000 0.287 212 L C 0.232 176.971 176.870 -0.219 0.000 1.073 212 L CA 0.392 55.060 54.840 -0.287 0.000 0.822 212 L CB -0.030 41.894 42.059 -0.226 0.000 1.186 212 L HN 0.611 nan 8.230 nan 0.000 0.436 213 L N 4.843 125.911 121.223 -0.258 0.000 2.221 213 L HA 0.509 4.787 4.340 -0.103 0.000 0.202 213 L C 0.860 177.654 176.870 -0.126 0.000 1.074 213 L CA 0.646 55.405 54.840 -0.136 0.000 0.795 213 L CB -0.392 41.614 42.059 -0.089 0.000 0.960 213 L HN 0.785 nan 8.230 nan 0.000 0.458 214 A N -1.105 121.608 122.820 -0.177 0.000 2.612 214 A HA 0.716 4.974 4.320 -0.103 0.000 0.293 214 A C -0.999 176.504 177.584 -0.135 0.000 1.075 214 A CA -0.375 51.592 52.037 -0.118 0.000 0.680 214 A CB 1.425 20.383 19.000 -0.070 0.000 1.279 214 A HN -0.078 nan 8.150 nan 0.000 0.411 215 T N 0.946 115.448 114.554 -0.086 0.000 2.886 215 T HA 0.604 4.892 4.350 -0.103 0.000 0.292 215 T C -1.416 173.259 174.700 -0.042 0.000 1.012 215 T CA -0.266 61.793 62.100 -0.069 0.000 0.982 215 T CB 1.338 70.166 68.868 -0.066 0.000 1.018 215 T HN 0.982 nan 8.240 nan 0.000 0.451 216 L N 3.106 124.313 121.223 -0.026 0.000 2.376 216 L HA 0.592 4.870 4.340 -0.103 0.000 0.275 216 L C -1.408 175.444 176.870 -0.031 0.000 0.987 216 L CA -0.343 54.476 54.840 -0.035 0.000 0.828 216 L CB 1.460 43.501 42.059 -0.029 0.000 1.249 216 L HN 0.507 nan 8.230 nan 0.000 0.409 217 D N 5.359 125.728 120.400 -0.051 0.000 2.217 217 D HA 0.478 5.056 4.640 -0.103 0.000 0.243 217 D C -0.700 175.553 176.300 -0.079 0.000 1.054 217 D CA -0.359 53.619 54.000 -0.037 0.000 0.838 217 D CB 1.888 42.669 40.800 -0.033 0.000 1.162 217 D HN 0.262 nan 8.370 nan 0.000 0.472 218 K N 1.797 122.168 120.400 -0.049 0.000 2.507 218 K HA 0.195 4.453 4.320 -0.103 0.000 0.251 218 K C 0.179 176.793 176.600 0.024 0.000 0.943 218 K CA -0.601 55.626 56.287 -0.100 0.000 0.794 218 K CB 2.491 34.815 32.500 -0.293 0.000 1.188 218 K HN 0.227 nan 8.250 nan 0.000 0.428 219 D N 1.302 121.713 120.400 0.018 0.000 2.144 219 D HA -0.086 4.492 4.640 -0.103 0.000 0.200 219 D C 0.311 176.669 176.300 0.096 0.000 0.978 219 D CA 0.990 55.020 54.000 0.050 0.000 0.833 219 D CB 0.473 41.292 40.800 0.032 0.000 0.961 219 D HN 0.529 nan 8.370 nan 0.000 0.470 220 A N 1.096 123.985 122.820 0.115 0.000 2.774 220 A HA 0.233 4.491 4.320 -0.103 0.000 0.326 220 A C -0.430 177.274 177.584 0.201 0.000 1.478 220 A CA -0.489 51.638 52.037 0.150 0.000 1.099 220 A CB -0.865 18.228 19.000 0.154 0.000 1.148 220 A HN 0.006 nan 8.150 nan 0.000 0.519 221 F N 3.093 123.078 119.950 0.059 0.000 2.538 221 F HA 0.340 4.804 4.527 -0.105 0.000 0.371 221 F C 0.255 176.072 175.800 0.029 0.000 1.087 221 F CA 0.858 58.896 58.000 0.062 0.000 1.250 221 F CB 0.632 39.641 39.000 0.014 0.000 1.110 221 F HN 0.337 nan 8.300 nan 0.000 0.570 222 K N 6.297 126.295 120.400 -0.671 0.000 2.435 222 K HA 0.508 4.766 4.320 -0.103 0.000 0.251 222 K C -1.435 174.811 176.600 -0.590 0.000 0.954 222 K CA -0.578 55.323 56.287 -0.644 0.000 0.820 222 K CB 2.525 34.331 32.500 -1.157 0.000 1.292 222 K HN 0.579 nan 8.250 nan 0.000 0.436 223 F N 0.124 119.779 119.950 -0.492 0.000 3.262 223 F HA 0.359 4.823 4.527 -0.105 0.000 0.327 223 F C 1.236 176.953 175.800 -0.138 0.000 1.206 223 F CA -0.974 56.833 58.000 -0.322 0.000 0.930 223 F CB 0.311 39.190 39.000 -0.202 0.000 1.513 223 F HN 0.408 nan 8.300 nan 0.000 0.519 224 I N 0.809 120.931 120.570 -0.746 0.000 2.264 224 I HA -0.277 3.831 4.170 -0.103 0.000 0.248 224 I C 2.075 178.135 176.117 -0.096 0.000 1.111 224 I CA 1.853 62.898 61.300 -0.425 0.000 1.382 224 I CB -0.565 37.131 38.000 -0.507 0.000 1.060 224 I HN 0.552 nan 8.210 nan 0.000 0.418 225 S N -0.243 115.455 115.700 -0.003 0.000 2.469 225 S HA -0.168 4.240 4.470 -0.103 0.000 0.238 225 S C 1.324 175.960 174.600 0.060 0.000 0.998 225 S CA 1.133 59.365 58.200 0.053 0.000 0.957 225 S CB -0.370 62.888 63.200 0.097 0.000 0.764 225 S HN 0.452 nan 8.310 nan 0.000 0.514 226 D N 0.909 121.348 120.400 0.065 0.000 2.339 226 D HA 0.290 4.868 4.640 -0.103 0.000 0.217 226 D C 0.316 176.762 176.300 0.243 0.000 1.050 226 D CA 0.113 54.197 54.000 0.141 0.000 0.856 226 D CB 0.171 41.009 40.800 0.063 0.000 0.922 226 D HN 0.470 nan 8.370 nan 0.000 0.518 227 I N 1.287 121.949 120.570 0.152 0.000 2.428 227 I HA 0.041 4.149 4.170 -0.103 0.000 0.289 227 I C 0.472 176.599 176.117 0.016 0.000 1.019 227 I CA -0.061 61.282 61.300 0.072 0.000 1.351 227 I CB 1.321 39.348 38.000 0.045 0.000 1.412 227 I HN -0.328 nan 8.210 nan 0.000 0.513 228 T N 4.294 118.830 114.554 -0.029 0.000 2.780 228 T HA 0.338 4.626 4.350 -0.103 0.000 0.294 228 T C 0.853 175.537 174.700 -0.027 0.000 0.949 228 T CA 0.210 62.295 62.100 -0.026 0.000 1.074 228 T CB 1.115 69.956 68.868 -0.046 0.000 0.910 228 T HN 1.051 nan 8.240 nan 0.000 0.501 229 G N 2.528 111.319 108.800 -0.015 0.000 2.221 229 G HA2 -0.229 3.669 3.960 -0.103 0.000 0.265 229 G HA3 -0.229 3.669 3.960 -0.103 0.000 0.265 229 G C 0.225 175.117 174.900 -0.014 0.000 1.041 229 G CA -0.227 44.864 45.100 -0.016 0.000 0.807 229 G HN 0.778 nan 8.290 nan 0.000 0.502 230 V N 1.135 121.045 119.914 -0.008 0.000 2.617 230 V HA 0.311 4.369 4.120 -0.103 0.000 0.304 230 V C 1.126 177.213 176.094 -0.011 0.000 1.040 230 V CA 1.383 63.679 62.300 -0.006 0.000 1.149 230 V CB 1.196 33.019 31.823 -0.001 0.000 0.914 230 V HN 0.675 nan 8.190 nan 0.000 0.487 231 D N 1.930 122.320 120.400 -0.016 0.000 2.562 231 D HA 0.134 4.713 4.640 -0.103 0.000 0.246 231 D C -0.175 176.109 176.300 -0.026 0.000 1.347 231 D CA -0.306 53.682 54.000 -0.021 0.000 0.800 231 D CB -0.153 40.633 40.800 -0.023 0.000 1.111 231 D HN 0.734 nan 8.370 nan 0.000 0.508 232 N N -1.280 117.404 118.700 -0.028 0.000 2.745 232 N HA 0.488 5.166 4.740 -0.103 0.000 0.256 232 N C -2.030 173.452 175.510 -0.047 0.000 1.268 232 N CA -0.917 52.111 53.050 -0.036 0.000 0.887 232 N CB 1.967 40.426 38.487 -0.047 0.000 1.575 232 N HN -0.177 nan 8.380 nan 0.000 0.496 233 V N 0.777 120.666 119.914 -0.041 0.000 2.482 233 V HA 0.637 4.695 4.120 -0.103 0.000 0.295 233 V C -0.702 175.364 176.094 -0.046 0.000 1.026 233 V CA -0.296 61.965 62.300 -0.065 0.000 0.856 233 V CB 1.236 33.084 31.823 0.043 0.000 1.001 233 V HN 0.879 nan 8.190 nan 0.000 0.424 234 T N 5.762 120.241 114.554 -0.125 0.000 2.876 234 T HA 0.693 4.981 4.350 -0.103 0.000 0.289 234 T C -1.030 173.676 174.700 0.011 0.000 1.014 234 T CA -0.514 61.568 62.100 -0.030 0.000 0.986 234 T CB 2.033 70.871 68.868 -0.052 0.000 1.021 234 T HN 0.226 nan 8.240 nan 0.000 0.458 235 L N 2.093 123.407 121.223 0.152 0.000 2.317 235 L HA 0.685 4.963 4.340 -0.103 0.000 0.281 235 L C 1.142 178.098 176.870 0.143 0.000 1.024 235 L CA 0.608 55.553 54.840 0.175 0.000 0.810 235 L CB 0.922 43.119 42.059 0.231 0.000 1.240 235 L HN 1.012 nan 8.230 nan 0.000 0.427 236 G N 2.085 110.920 108.800 0.058 0.000 2.143 236 G HA2 0.102 4.000 3.960 -0.103 0.000 0.248 236 G HA3 0.102 4.000 3.960 -0.103 0.000 0.248 236 G C 0.352 175.367 174.900 0.191 0.000 0.991 236 G CA 0.368 45.567 45.100 0.164 0.000 0.689 236 G HN 1.387 nan 8.290 nan 0.000 0.522 237 G N -2.735 106.129 108.800 0.106 0.000 2.316 237 G HA2 0.638 4.537 3.960 -0.103 0.000 0.296 237 G HA3 0.638 4.537 3.960 -0.103 0.000 0.296 237 G C -0.982 173.906 174.900 -0.020 0.000 1.399 237 G CA 0.416 45.559 45.100 0.072 0.000 0.833 237 G HN 0.948 nan 8.290 nan 0.000 0.565 238 T N 1.368 115.854 114.554 -0.114 0.000 2.840 238 T HA 0.443 4.732 4.350 -0.103 0.000 0.287 238 T C -0.135 174.393 174.700 -0.288 0.000 0.991 238 T CA -0.586 61.356 62.100 -0.263 0.000 0.964 238 T CB 1.261 69.838 68.868 -0.485 0.000 0.954 238 T HN 0.479 nan 8.240 nan 0.000 0.438 239 K N 3.611 123.885 120.400 -0.210 0.000 2.378 239 K HA 0.323 4.581 4.320 -0.103 0.000 0.288 239 K C 0.078 176.573 176.600 -0.175 0.000 1.057 239 K CA -0.055 56.133 56.287 -0.165 0.000 0.971 239 K CB 0.699 33.135 32.500 -0.107 0.000 0.975 239 K HN 0.359 nan 8.250 nan 0.000 0.475 240 R N 2.906 123.299 120.500 -0.178 0.000 2.473 240 R HA 0.112 4.390 4.340 -0.103 0.000 0.303 240 R C -0.675 175.561 176.300 -0.107 0.000 1.002 240 R CA -0.664 55.350 56.100 -0.144 0.000 0.884 240 R CB 1.517 31.692 30.300 -0.209 0.000 1.173 240 R HN 0.638 nan 8.270 nan 0.000 0.464 241 Q N 0.997 120.753 119.800 -0.073 0.000 2.451 241 Q HA -0.256 4.022 4.340 -0.103 0.000 0.305 241 Q C 0.631 176.594 176.000 -0.063 0.000 1.345 241 Q CA 0.888 56.654 55.803 -0.061 0.000 0.854 241 Q CB -1.244 27.459 28.738 -0.058 0.000 1.162 241 Q HN 1.239 nan 8.270 nan 0.000 0.440 242 G N -1.007 107.754 108.800 -0.064 0.000 2.189 242 G HA2 -0.320 3.578 3.960 -0.103 0.000 0.267 242 G HA3 -0.320 3.578 3.960 -0.103 0.000 0.267 242 G C 0.053 174.912 174.900 -0.067 0.000 0.975 242 G CA 0.830 45.894 45.100 -0.060 0.000 0.644 242 G HN 0.210 nan 8.290 nan 0.000 0.537 243 K N 0.033 120.382 120.400 -0.086 0.000 2.208 243 K HA 0.605 4.863 4.320 -0.103 0.000 0.247 243 K C 0.189 176.719 176.600 -0.117 0.000 0.953 243 K CA -1.121 55.111 56.287 -0.092 0.000 0.837 243 K CB 1.567 34.007 32.500 -0.099 0.000 1.131 243 K HN 0.034 nan 8.250 nan 0.000 0.431 244 I N 2.360 122.871 120.570 -0.099 0.000 2.308 244 I HA 0.143 4.251 4.170 -0.103 0.000 0.293 244 I C 0.600 176.628 176.117 -0.148 0.000 1.078 244 I CA -0.288 60.951 61.300 -0.102 0.000 1.292 244 I CB -0.081 37.893 38.000 -0.044 0.000 1.423 244 I HN 0.524 nan 8.210 nan 0.000 0.493 245 A N 5.652 128.316 122.820 -0.260 0.000 2.269 245 A HA 0.575 4.833 4.320 -0.103 0.000 0.319 245 A C -0.432 176.961 177.584 -0.318 0.000 1.110 245 A CA -0.393 51.383 52.037 -0.434 0.000 0.847 245 A CB 0.177 18.701 19.000 -0.793 0.000 1.161 245 A HN 0.616 nan 8.150 nan 0.000 0.497 246 Y N -2.944 117.304 120.300 -0.087 0.000 3.001 246 Y HA -0.115 4.373 4.550 -0.103 0.000 0.199 246 Y C -2.376 173.540 175.900 0.026 0.000 1.320 246 Y CA 0.218 58.294 58.100 -0.040 0.000 0.974 246 Y CB -2.641 35.777 38.460 -0.070 0.000 1.291 246 Y HN 0.414 nan 8.280 nan 0.000 0.465 247 P HA 0.101 nan 4.420 nan 0.000 0.270 247 P C 0.084 177.493 177.300 0.181 0.000 1.242 247 P CA 0.031 63.208 63.100 0.129 0.000 0.768 247 P CB 0.299 32.034 31.700 0.058 0.000 0.820 248 F N 3.838 123.824 119.950 0.061 0.000 2.378 248 F HA 0.703 5.165 4.527 -0.108 0.000 0.325 248 F C 0.344 176.174 175.800 0.051 0.000 1.097 248 F CA 0.122 58.155 58.000 0.054 0.000 1.079 248 F CB 1.211 40.243 39.000 0.052 0.000 1.240 248 F HN 0.376 nan 8.300 nan 0.000 0.519 249 G N 1.787 110.029 108.800 -0.931 0.000 2.733 249 G HA2 0.588 4.486 3.960 -0.103 0.000 0.289 249 G HA3 0.588 4.486 3.960 -0.103 0.000 0.289 249 G C -0.766 173.491 174.900 -1.073 0.000 1.473 249 G CA -0.102 44.592 45.100 -0.678 0.000 1.123 249 G HN 1.381 nan 8.290 nan 0.000 0.544 250 G N 0.155 108.562 108.800 -0.656 0.000 2.366 250 G HA2 0.481 4.379 3.960 -0.103 0.000 0.190 250 G HA3 0.481 4.379 3.960 -0.103 0.000 0.190 250 G C -0.900 174.050 174.900 0.083 0.000 1.299 250 G CA 0.146 45.043 45.100 -0.339 0.000 1.056 250 G HN 1.090 nan 8.290 nan 0.000 0.468 251 T N 1.285 116.006 114.554 0.278 0.000 2.881 251 T HA 0.569 4.857 4.350 -0.103 0.000 0.290 251 T C -0.554 174.409 174.700 0.437 0.000 1.000 251 T CA -0.376 61.919 62.100 0.324 0.000 0.978 251 T CB 1.530 70.534 68.868 0.225 0.000 0.997 251 T HN 0.502 nan 8.240 nan 0.000 0.443 252 I N 3.590 124.353 120.570 0.323 0.000 2.291 252 I HA 0.250 4.358 4.170 -0.103 0.000 0.290 252 I C 1.615 177.881 176.117 0.250 0.000 1.050 252 I CA -0.043 61.404 61.300 0.244 0.000 1.245 252 I CB 0.442 38.490 38.000 0.080 0.000 1.405 252 I HN 0.924 nan 8.210 nan 0.000 0.478 253 G N 5.328 114.355 108.800 0.378 0.000 2.421 253 G HA2 -0.158 3.740 3.960 -0.103 0.000 0.216 253 G HA3 -0.158 3.740 3.960 -0.103 0.000 0.216 253 G C 0.264 175.196 174.900 0.055 0.000 1.171 253 G CA 0.716 45.934 45.100 0.197 0.000 0.775 253 G HN 0.609 nan 8.290 nan 0.000 0.543 254 D N -2.232 118.207 120.400 0.065 0.000 2.745 254 D HA 0.424 5.002 4.640 -0.103 0.000 0.221 254 D C -1.557 174.758 176.300 0.024 0.000 1.237 254 D CA -0.664 53.348 54.000 0.019 0.000 0.781 254 D CB 1.334 42.127 40.800 -0.011 0.000 1.575 254 D HN 0.072 nan 8.370 nan 0.000 0.482 255 I N 1.952 122.518 120.570 -0.007 0.000 2.569 255 I HA 0.510 4.618 4.170 -0.103 0.000 0.290 255 I C -1.549 174.520 176.117 -0.081 0.000 1.088 255 I CA -0.587 60.688 61.300 -0.042 0.000 1.047 255 I CB 1.308 39.273 38.000 -0.059 0.000 1.237 255 I HN 0.284 nan 8.210 nan 0.000 0.421 256 K N 6.623 126.959 120.400 -0.106 0.000 2.471 256 K HA 0.597 4.855 4.320 -0.103 0.000 0.252 256 K C -1.590 174.874 176.600 -0.226 0.000 0.938 256 K CA -0.733 55.435 56.287 -0.197 0.000 0.796 256 K CB 2.776 35.165 32.500 -0.185 0.000 1.161 256 K HN 0.337 nan 8.250 nan 0.000 0.425 257 V N 4.006 123.748 119.914 -0.286 0.000 2.378 257 V HA 0.365 4.423 4.120 -0.103 0.000 0.288 257 V C -1.099 174.872 176.094 -0.204 0.000 1.016 257 V CA -0.901 61.304 62.300 -0.159 0.000 0.840 257 V CB 0.394 32.170 31.823 -0.079 0.000 0.994 257 V HN 0.594 nan 8.190 nan 0.000 0.431 258 Y N 1.943 122.243 120.300 0.000 0.000 2.387 258 Y HA 0.344 4.827 4.550 -0.113 0.000 0.336 258 Y C 1.577 177.487 175.900 0.017 0.000 1.067 258 Y CA -0.362 57.737 58.100 -0.001 0.000 1.114 258 Y CB 2.185 40.630 38.460 -0.026 0.000 1.208 258 Y HN 0.676 nan 8.280 nan 0.000 0.458 259 S N 0.231 116.028 115.700 0.162 0.000 2.436 259 S HA -0.052 4.356 4.470 -0.103 0.000 0.228 259 S C 0.394 175.038 174.600 0.073 0.000 1.014 259 S CA 0.163 58.427 58.200 0.106 0.000 0.950 259 S CB -0.475 62.757 63.200 0.052 0.000 0.784 259 S HN 0.760 nan 8.310 nan 0.000 0.504 260 N N 1.836 120.581 118.700 0.075 0.000 2.495 260 N HA 0.469 5.147 4.740 -0.103 0.000 0.280 260 N C -0.862 174.621 175.510 -0.044 0.000 1.168 260 N CA -0.313 52.737 53.050 0.001 0.000 0.978 260 N CB 1.364 39.843 38.487 -0.013 0.000 1.191 260 N HN 0.194 nan 8.380 nan 0.000 0.497 261 A N 2.007 124.776 122.820 -0.086 0.000 2.316 261 A HA 0.396 4.654 4.320 -0.103 0.000 0.311 261 A C 0.677 178.176 177.584 -0.143 0.000 1.339 261 A CA -0.748 51.223 52.037 -0.110 0.000 0.960 261 A CB -0.307 18.627 19.000 -0.111 0.000 1.152 261 A HN 0.658 nan 8.150 nan 0.000 0.547 262 L N 2.163 123.263 121.223 -0.204 0.000 2.476 262 L HA 0.223 4.501 4.340 -0.103 0.000 0.264 262 L C 1.349 178.108 176.870 -0.185 0.000 1.224 262 L CA -0.307 54.383 54.840 -0.249 0.000 0.821 262 L CB 0.679 42.511 42.059 -0.379 0.000 1.101 262 L HN 0.860 nan 8.230 nan 0.000 0.488 263 S N -0.705 114.893 115.700 -0.170 0.000 2.603 263 S HA 0.065 4.473 4.470 -0.103 0.000 0.268 263 S C 0.560 175.071 174.600 -0.149 0.000 1.317 263 S CA -0.782 57.346 58.200 -0.120 0.000 1.012 263 S CB 1.154 64.296 63.200 -0.096 0.000 0.926 263 S HN 0.570 nan 8.310 nan 0.000 0.539 264 D N 1.554 121.923 120.400 -0.051 0.000 2.149 264 D HA -0.107 4.471 4.640 -0.103 0.000 0.198 264 D C 1.742 177.993 176.300 -0.082 0.000 0.990 264 D CA 1.694 55.702 54.000 0.012 0.000 0.839 264 D CB -0.361 40.557 40.800 0.197 0.000 0.948 264 D HN 0.769 nan 8.370 nan 0.000 0.460 265 E N 1.064 121.228 120.200 -0.060 0.000 2.051 265 E HA -0.149 4.139 4.350 -0.103 0.000 0.192 265 E C 2.043 178.571 176.600 -0.121 0.000 0.991 265 E CA 0.890 57.252 56.400 -0.064 0.000 0.799 265 E CB -0.191 29.481 29.700 -0.047 0.000 0.748 265 E HN 0.416 nan 8.360 nan 0.000 0.449 266 E N 0.373 120.477 120.200 -0.160 0.000 2.085 266 E HA -0.170 4.118 4.350 -0.103 0.000 0.194 266 E C 2.085 178.535 176.600 -0.250 0.000 0.994 266 E CA 0.903 57.191 56.400 -0.187 0.000 0.801 266 E CB -0.145 29.429 29.700 -0.210 0.000 0.743 266 E HN 0.261 nan 8.360 nan 0.000 0.453 267 L N 0.638 121.622 121.223 -0.399 0.000 2.156 267 L HA -0.133 4.145 4.340 -0.103 0.000 0.208 267 L C 2.381 179.005 176.870 -0.410 0.000 1.095 267 L CA 0.299 54.785 54.840 -0.588 0.000 0.770 267 L CB -0.264 41.032 42.059 -1.272 0.000 0.914 267 L HN 0.181 nan 8.230 nan 0.000 0.439 268 I N 0.091 120.508 120.570 -0.254 0.000 2.179 268 I HA -0.279 3.829 4.170 -0.103 0.000 0.242 268 I C 2.603 178.685 176.117 -0.060 0.000 1.088 268 I CA 1.464 62.740 61.300 -0.040 0.000 1.357 268 I CB -0.860 37.155 38.000 0.026 0.000 1.051 268 I HN 0.345 nan 8.210 nan 0.000 0.409 269 Q N 1.355 121.102 119.800 -0.088 0.000 2.020 269 Q HA -0.129 4.150 4.340 -0.103 0.000 0.202 269 Q C 2.265 178.220 176.000 -0.076 0.000 0.982 269 Q CA 2.526 58.283 55.803 -0.076 0.000 0.838 269 Q CB -0.351 28.339 28.738 -0.080 0.000 0.899 269 Q HN 0.428 nan 8.270 nan 0.000 0.423 270 A N -0.368 122.393 122.820 -0.099 0.000 1.877 270 A HA -0.191 4.068 4.320 -0.103 0.000 0.216 270 A C 2.320 179.874 177.584 -0.050 0.000 1.186 270 A CA 2.426 54.416 52.037 -0.078 0.000 0.620 270 A CB -1.351 17.589 19.000 -0.099 0.000 0.822 270 A HN 0.668 nan 8.150 nan 0.000 0.443 271 T N -3.181 111.345 114.554 -0.047 0.000 3.023 271 T HA 0.126 4.414 4.350 -0.103 0.000 0.266 271 T C 1.709 176.409 174.700 -0.001 0.000 1.093 271 T CA 1.210 63.312 62.100 0.004 0.000 1.129 271 T CB -0.542 68.359 68.868 0.056 0.000 0.899 271 T HN 0.421 nan 8.240 nan 0.000 0.491 272 G N 0.975 109.761 108.800 -0.023 0.000 2.708 272 G HA2 0.039 3.937 3.960 -0.103 0.000 0.210 272 G HA3 0.039 3.937 3.960 -0.103 0.000 0.210 272 G C 1.347 176.207 174.900 -0.068 0.000 1.141 272 G CA 0.407 45.482 45.100 -0.041 0.000 0.788 272 G HN 0.496 nan 8.290 nan 0.000 0.531 273 V N 1.033 120.912 119.914 -0.059 0.000 2.759 273 V HA -0.019 4.039 4.120 -0.103 0.000 0.256 273 V C 1.610 177.642 176.094 -0.103 0.000 1.080 273 V CA 1.771 64.027 62.300 -0.073 0.000 1.101 273 V CB -0.771 31.018 31.823 -0.056 0.000 0.698 273 V HN 0.536 nan 8.190 nan 0.000 0.477 274 T N -0.309 114.183 114.554 -0.102 0.000 2.864 274 T HA 0.601 4.889 4.350 -0.103 0.000 0.310 274 T C -0.335 174.179 174.700 -0.310 0.000 1.040 274 T CA -0.321 61.671 62.100 -0.180 0.000 0.977 274 T CB 1.267 70.151 68.868 0.027 0.000 0.976 274 T HN 0.355 nan 8.240 nan 0.000 0.459 275 T N 0.663 114.856 114.554 -0.602 0.000 2.903 275 T HA 0.713 5.001 4.350 -0.103 0.000 0.299 275 T C -1.521 172.587 174.700 -0.986 0.000 1.093 275 T CA -0.855 60.926 62.100 -0.532 0.000 1.002 275 T CB 1.372 70.081 68.868 -0.264 0.000 1.127 275 T HN 0.541 nan 8.240 nan 0.000 0.488 276 Y N 0.294 120.457 120.300 -0.229 0.000 2.406 276 Y HA 0.656 5.141 4.550 -0.107 0.000 0.340 276 Y C 0.984 176.672 175.900 -0.354 0.000 0.975 276 Y CA 0.072 57.871 58.100 -0.501 0.000 1.056 276 Y CB 2.016 39.965 38.460 -0.852 0.000 1.210 276 Y HN 1.439 nan 8.280 nan 0.000 0.448 277 G N 2.352 111.056 108.800 -0.160 0.000 2.750 277 G HA2 -0.045 3.853 3.960 -0.103 0.000 0.228 277 G HA3 -0.045 3.853 3.960 -0.103 0.000 0.228 277 G C -0.766 174.155 174.900 0.034 0.000 1.367 277 G CA -0.044 45.073 45.100 0.028 0.000 0.871 277 G HN 0.896 nan 8.290 nan 0.000 0.560 278 E N -1.272 118.992 120.200 0.107 0.000 2.446 278 E HA 0.636 4.924 4.350 -0.103 0.000 0.276 278 E C -0.646 175.995 176.600 0.069 0.000 0.969 278 E CA -1.130 55.327 56.400 0.095 0.000 0.800 278 E CB 1.315 31.114 29.700 0.165 0.000 1.341 278 E HN 0.635 nan 8.360 nan 0.000 0.460 279 N N -0.025 118.669 118.700 -0.011 0.000 2.417 279 N HA 0.369 5.047 4.740 -0.103 0.000 0.300 279 N C 0.059 175.441 175.510 -0.214 0.000 1.102 279 N CA -0.465 52.537 53.050 -0.079 0.000 0.886 279 N CB 1.851 40.318 38.487 -0.033 0.000 1.203 279 N HN 0.415 nan 8.380 nan 0.000 0.496 280 I N -0.004 120.287 120.570 -0.465 0.000 2.900 280 I HA 0.167 4.276 4.170 -0.103 0.000 0.251 280 I C -0.257 175.395 176.117 -0.774 0.000 1.102 280 I CA 0.513 61.271 61.300 -0.904 0.000 1.457 280 I CB 0.204 37.266 38.000 -1.563 0.000 1.285 280 I HN 0.329 nan 8.210 nan 0.000 0.459 281 F N 0.973 120.626 119.950 -0.496 0.000 2.425 281 F HA 0.462 4.928 4.527 -0.103 0.000 0.331 281 F C -0.345 175.087 175.800 -0.614 0.000 1.085 281 F CA -0.905 56.629 58.000 -0.776 0.000 1.028 281 F CB 0.955 39.066 39.000 -1.481 0.000 1.177 281 F HN -0.017 nan 8.300 nan 0.000 0.487 282 Y N -0.348 119.798 120.300 -0.258 0.000 2.609 282 Y HA 0.779 5.271 4.550 -0.098 0.000 0.336 282 Y C -1.084 174.965 175.900 0.248 0.000 1.129 282 Y CA -2.514 55.598 58.100 0.020 0.000 1.040 282 Y CB 0.631 39.075 38.460 -0.026 0.000 1.310 282 Y HN 0.783 nan 8.280 nan 0.000 0.460 283 A N 1.480 124.504 122.820 0.340 0.000 2.484 283 A HA 0.504 4.762 4.320 -0.103 0.000 0.268 283 A C 1.239 178.928 177.584 0.174 0.000 1.114 283 A CA 0.865 52.987 52.037 0.142 0.000 0.780 283 A CB -1.328 17.674 19.000 0.004 0.000 1.061 283 A HN 2.231 nan 8.150 nan 0.000 0.505 284 G N 2.574 111.393 108.800 0.032 0.000 2.296 284 G HA2 -0.166 3.732 3.960 -0.103 0.000 0.188 284 G HA3 -0.166 3.732 3.960 -0.103 0.000 0.188 284 G C -0.021 174.842 174.900 -0.062 0.000 1.000 284 G CA 0.284 45.432 45.100 0.079 0.000 0.672 284 G HN 1.116 nan 8.290 nan 0.000 0.483 285 D N 0.785 120.917 120.400 -0.446 0.000 2.414 285 D HA 0.376 4.955 4.640 -0.103 0.000 0.251 285 D C 2.018 178.254 176.300 -0.106 0.000 1.252 285 D CA 0.420 54.148 54.000 -0.453 0.000 0.999 285 D CB 0.322 40.623 40.800 -0.832 0.000 1.093 285 D HN 0.829 nan 8.370 nan 0.000 0.515 286 V N -2.603 117.291 119.914 -0.032 0.000 3.186 286 V HA -0.149 3.909 4.120 -0.103 0.000 0.270 286 V C 1.791 177.939 176.094 0.091 0.000 1.149 286 V CA 1.857 64.184 62.300 0.045 0.000 1.160 286 V CB -1.976 29.884 31.823 0.062 0.000 0.758 286 V HN 0.765 nan 8.190 nan 0.000 0.516 287 T N -2.377 112.244 114.554 0.111 0.000 2.995 287 T HA -0.051 4.237 4.350 -0.103 0.000 0.269 287 T C 1.057 175.896 174.700 0.231 0.000 1.091 287 T CA 0.957 63.165 62.100 0.181 0.000 1.128 287 T CB -0.539 68.461 68.868 0.221 0.000 0.891 287 T HN 0.701 nan 8.240 nan 0.000 0.492 288 E N 0.024 120.319 120.200 0.159 0.000 3.286 288 E HA -0.163 4.125 4.350 -0.103 0.000 0.292 288 E C -0.199 176.535 176.600 0.222 0.000 0.928 288 E CA 0.559 57.071 56.400 0.187 0.000 0.982 288 E CB -1.774 28.051 29.700 0.208 0.000 1.500 288 E HN 0.570 nan 8.360 nan 0.000 0.441 289 S N -0.836 114.827 115.700 -0.062 0.000 2.475 289 S HA 0.376 4.784 4.470 -0.103 0.000 0.298 289 S C 0.568 174.866 174.600 -0.503 0.000 1.119 289 S CA -0.487 57.392 58.200 -0.535 0.000 1.085 289 S CB 1.133 63.556 63.200 -1.296 0.000 1.028 289 S HN 0.299 nan 8.310 nan 0.000 0.489 290 N N 1.812 120.195 118.700 -0.528 0.000 2.424 290 N HA 0.135 4.813 4.740 -0.103 0.000 0.178 290 N C -0.983 173.884 175.510 -1.070 0.000 1.060 290 N CA 0.421 53.040 53.050 -0.718 0.000 0.901 290 N CB 0.299 38.273 38.487 -0.854 0.000 0.979 290 N HN 0.562 nan 8.380 nan 0.000 0.451 291 Y N -0.863 119.062 120.300 -0.625 0.000 2.545 291 Y HA 0.498 4.987 4.550 -0.103 0.000 0.348 291 Y C -0.937 174.347 175.900 -1.026 0.000 1.002 291 Y CA -1.031 56.722 58.100 -0.578 0.000 1.039 291 Y CB 1.111 39.354 38.460 -0.361 0.000 1.271 291 Y HN -0.232 nan 8.280 nan 0.000 0.467 292 F N 1.093 121.025 119.950 -0.030 0.000 2.613 292 F HA 0.785 5.249 4.527 -0.103 0.000 0.310 292 F C -0.197 175.574 175.800 -0.049 0.000 1.085 292 F CA -1.095 56.846 58.000 -0.098 0.000 0.945 292 F CB 2.179 41.112 39.000 -0.113 0.000 1.298 292 F HN 0.262 nan 8.300 nan 0.000 0.455 293 R N 1.168 121.737 120.500 0.116 0.000 2.747 293 R HA 0.527 4.806 4.340 -0.103 0.000 0.272 293 R C -1.435 174.904 176.300 0.065 0.000 1.032 293 R CA -0.928 55.217 56.100 0.074 0.000 0.896 293 R CB 2.176 32.473 30.300 -0.006 0.000 1.253 293 R HN 0.676 nan 8.270 nan 0.000 0.461 294 I N 0.091 120.707 120.570 0.076 0.000 7.533 294 I HA -0.155 3.953 4.170 -0.103 0.000 0.126 294 I C -2.307 173.919 176.117 0.182 0.000 1.830 294 I CA -0.161 61.241 61.300 0.171 0.000 2.068 294 I CB -2.078 36.003 38.000 0.135 0.000 3.648 294 I HN 0.409 nan 8.210 nan 0.000 0.179 295 P HA 0.303 nan 4.420 nan 0.000 0.275 295 P C -0.089 177.333 177.300 0.203 0.000 1.228 295 P CA -0.041 63.173 63.100 0.191 0.000 0.786 295 P CB 1.997 33.817 31.700 0.200 0.000 0.927 296 S N 2.055 117.871 115.700 0.194 0.000 2.571 296 S HA 0.641 5.049 4.470 -0.103 0.000 0.284 296 S C -1.529 173.192 174.600 0.202 0.000 1.128 296 S CA -0.585 57.742 58.200 0.211 0.000 0.970 296 S CB 0.336 63.672 63.200 0.226 0.000 1.039 296 S HN 0.364 nan 8.310 nan 0.000 0.485 297 L N 4.931 126.284 121.223 0.218 0.000 2.464 297 L HA 0.886 5.164 4.340 -0.103 0.000 0.266 297 L C -2.003 175.013 176.870 0.243 0.000 0.965 297 L CA -0.499 54.470 54.840 0.216 0.000 0.833 297 L CB 1.860 44.063 42.059 0.240 0.000 1.296 297 L HN 0.702 nan 8.230 nan 0.000 0.405 298 L N 3.360 124.729 121.223 0.244 0.000 2.526 298 L HA 0.647 4.925 4.340 -0.103 0.000 0.263 298 L C -0.931 176.066 176.870 0.212 0.000 0.943 298 L CA 0.148 55.131 54.840 0.238 0.000 0.859 298 L CB 2.531 44.747 42.059 0.262 0.000 1.313 298 L HN 0.638 nan 8.230 nan 0.000 0.406 299 T N 5.556 120.222 114.554 0.187 0.000 2.771 299 T HA 0.551 4.840 4.350 -0.103 0.000 0.291 299 T C 0.184 174.964 174.700 0.133 0.000 0.954 299 T CA -0.282 61.906 62.100 0.145 0.000 1.045 299 T CB 0.396 69.341 68.868 0.129 0.000 0.917 299 T HN 0.431 nan 8.240 nan 0.000 0.484 300 L N 2.318 123.610 121.223 0.114 0.000 2.439 300 L HA 0.243 4.521 4.340 -0.103 0.000 0.261 300 L C 2.020 178.935 176.870 0.076 0.000 1.153 300 L CA -0.638 54.266 54.840 0.106 0.000 0.808 300 L CB 0.675 42.793 42.059 0.098 0.000 1.126 300 L HN 0.781 nan 8.230 nan 0.000 0.460 301 S N -1.698 114.045 115.700 0.072 0.000 2.469 301 S HA -0.164 4.244 4.470 -0.103 0.000 0.238 301 S C 1.521 176.141 174.600 0.033 0.000 0.998 301 S CA 1.219 59.450 58.200 0.051 0.000 0.957 301 S CB -0.744 62.487 63.200 0.052 0.000 0.764 301 S HN 0.897 nan 8.310 nan 0.000 0.514 302 T N -2.921 111.652 114.554 0.031 0.000 3.113 302 T HA 0.478 4.766 4.350 -0.103 0.000 0.256 302 T C 1.662 176.367 174.700 0.009 0.000 1.131 302 T CA 0.783 62.892 62.100 0.016 0.000 1.074 302 T CB -0.231 68.644 68.868 0.012 0.000 0.944 302 T HN 1.075 nan 8.240 nan 0.000 0.516 303 G N 0.611 109.421 108.800 0.017 0.000 2.213 303 G HA2 -0.215 3.683 3.960 -0.103 0.000 0.226 303 G HA3 -0.215 3.683 3.960 -0.103 0.000 0.226 303 G C 0.238 175.135 174.900 -0.006 0.000 0.992 303 G CA -0.032 45.072 45.100 0.007 0.000 0.632 303 G HN 0.695 nan 8.290 nan 0.000 0.511 304 T N 1.477 116.029 114.554 -0.003 0.000 2.901 304 T HA 0.477 4.765 4.350 -0.103 0.000 0.301 304 T C 0.426 175.126 174.700 0.000 0.000 1.012 304 T CA 0.232 62.318 62.100 -0.024 0.000 1.135 304 T CB 2.173 71.040 68.868 -0.001 0.000 0.936 304 T HN 0.588 nan 8.240 nan 0.000 0.539 305 V N 5.476 125.354 119.914 -0.059 0.000 2.398 305 V HA 0.524 4.582 4.120 -0.103 0.000 0.286 305 V C 0.332 176.466 176.094 0.066 0.000 1.026 305 V CA -0.883 61.428 62.300 0.018 0.000 0.868 305 V CB 0.746 32.561 31.823 -0.013 0.000 0.982 305 V HN 0.794 nan 8.190 nan 0.000 0.443 306 I N 2.392 123.059 120.570 0.162 0.000 2.750 306 I HA 1.012 5.120 4.170 -0.103 0.000 0.308 306 I C -0.041 176.157 176.117 0.136 0.000 1.016 306 I CA -0.435 60.934 61.300 0.115 0.000 1.098 306 I CB 2.434 40.565 38.000 0.218 0.000 1.279 306 I HN 0.655 nan 8.210 nan 0.000 0.454 307 S N 2.597 118.266 115.700 -0.053 0.000 2.579 307 S HA 0.964 5.372 4.470 -0.103 0.000 0.272 307 S C -0.821 173.861 174.600 0.137 0.000 1.141 307 S CA -0.487 57.724 58.200 0.018 0.000 0.843 307 S CB 1.740 64.803 63.200 -0.229 0.000 1.122 307 S HN 1.397 nan 8.310 nan 0.000 0.468 308 A N 0.363 123.339 122.820 0.261 0.000 2.594 308 A HA 1.070 5.328 4.320 -0.103 0.000 0.291 308 A C -0.722 176.913 177.584 0.086 0.000 1.105 308 A CA -0.549 51.636 52.037 0.247 0.000 0.694 308 A CB 1.089 20.254 19.000 0.274 0.000 1.291 308 A HN 2.413 nan 8.150 nan 0.000 0.410 309 A N 0.407 123.135 122.820 -0.153 0.000 2.583 309 A HA 0.612 4.870 4.320 -0.103 0.000 0.292 309 A C -1.857 175.633 177.584 -0.157 0.000 1.045 309 A CA -0.660 51.283 52.037 -0.157 0.000 0.672 309 A CB 0.626 19.471 19.000 -0.259 0.000 1.283 309 A HN 0.716 nan 8.150 nan 0.000 0.419 310 D N 1.310 121.680 120.400 -0.050 0.000 2.425 310 D HA 0.465 5.043 4.640 -0.103 0.000 0.247 310 D C 0.367 176.611 176.300 -0.093 0.000 1.147 310 D CA 1.224 55.192 54.000 -0.053 0.000 0.879 310 D CB 1.256 42.033 40.800 -0.039 0.000 1.179 310 D HN 0.840 nan 8.370 nan 0.000 0.456 311 A N 4.191 126.909 122.820 -0.171 0.000 2.444 311 A HA 0.306 4.564 4.320 -0.103 0.000 0.332 311 A C 0.087 177.326 177.584 -0.574 0.000 1.430 311 A CA -0.687 51.079 52.037 -0.453 0.000 0.975 311 A CB 0.169 18.956 19.000 -0.355 0.000 1.147 311 A HN 0.412 nan 8.150 nan 0.000 0.524 312 R N 2.599 122.776 120.500 -0.538 0.000 2.248 312 R HA 0.251 4.530 4.340 -0.103 0.000 0.337 312 R C -0.416 175.669 176.300 -0.360 0.000 1.106 312 R CA -0.076 55.816 56.100 -0.346 0.000 0.959 312 R CB 0.286 30.442 30.300 -0.240 0.000 1.075 312 R HN 0.817 nan 8.270 nan 0.000 0.480 313 Y N 0.819 121.031 120.300 -0.147 0.000 2.220 313 Y HA -0.016 4.473 4.550 -0.102 0.000 0.291 313 Y C 2.167 178.012 175.900 -0.092 0.000 1.129 313 Y CA 0.943 59.017 58.100 -0.043 0.000 1.161 313 Y CB 0.145 38.627 38.460 0.036 0.000 0.997 313 Y HN 0.614 nan 8.280 nan 0.000 0.522 314 G N 0.253 108.880 108.800 -0.288 0.000 3.636 314 G HA2 0.453 4.351 3.960 -0.103 0.000 0.260 314 G HA3 0.453 4.351 3.960 -0.103 0.000 0.260 314 G C 0.559 174.521 174.900 -1.563 0.000 1.014 314 G CA 0.267 44.737 45.100 -1.049 0.000 1.797 314 G HN 0.633 nan 8.290 nan 0.000 0.637 315 G N 0.710 108.797 108.800 -1.188 0.000 2.693 315 G HA2 -0.089 3.809 3.960 -0.103 0.000 0.226 315 G HA3 -0.089 3.809 3.960 -0.103 0.000 0.226 315 G C 0.908 175.285 174.900 -0.872 0.000 1.354 315 G CA 0.415 44.648 45.100 -1.444 0.000 0.873 315 G HN 1.260 nan 8.290 nan 0.000 0.562 316 T N -2.474 111.744 114.554 -0.560 0.000 3.235 316 T HA 0.348 4.636 4.350 -0.103 0.000 0.251 316 T C 0.826 175.346 174.700 -0.300 0.000 1.060 316 T CA 0.841 62.722 62.100 -0.365 0.000 0.949 316 T CB -0.348 68.371 68.868 -0.248 0.000 1.020 316 T HN 0.780 nan 8.240 nan 0.000 0.564 317 H N 1.927 120.862 119.070 -0.224 0.000 2.871 317 H HA 0.247 4.742 4.556 -0.102 0.000 0.355 317 H C 0.277 175.491 175.328 -0.189 0.000 1.092 317 H CA -0.330 55.603 56.048 -0.191 0.000 1.420 317 H CB 0.436 30.073 29.762 -0.208 0.000 1.400 317 H HN 0.248 nan 8.280 nan 0.000 0.604 318 D N 0.703 121.091 120.400 -0.021 0.000 2.384 318 D HA 0.006 4.584 4.640 -0.103 0.000 0.244 318 D C 0.308 176.553 176.300 -0.091 0.000 1.251 318 D CA -0.177 53.781 54.000 -0.071 0.000 0.961 318 D CB 0.535 41.290 40.800 -0.075 0.000 1.116 318 D HN 0.438 nan 8.370 nan 0.000 0.484 319 S N 0.023 115.661 115.700 -0.103 0.000 2.554 319 S HA -0.042 4.366 4.470 -0.103 0.000 0.290 319 S C 0.509 175.019 174.600 -0.150 0.000 1.309 319 S CA 0.685 58.809 58.200 -0.126 0.000 1.047 319 S CB 0.092 63.221 63.200 -0.119 0.000 0.828 319 S HN 0.556 nan 8.310 nan 0.000 0.509 320 K N 0.759 121.053 120.400 -0.176 0.000 3.084 320 K HA -0.067 4.191 4.320 -0.103 0.000 0.629 320 K C -0.851 175.608 176.600 -0.235 0.000 1.111 320 K CA 0.587 56.751 56.287 -0.204 0.000 0.969 320 K CB -1.376 31.015 32.500 -0.182 0.000 2.095 320 K HN 0.648 nan 8.250 nan 0.000 0.385 321 S N 0.835 116.376 115.700 -0.266 0.000 2.654 321 S HA 0.394 4.802 4.470 -0.103 0.000 0.267 321 S C -2.275 172.135 174.600 -0.317 0.000 1.151 321 S CA -0.895 57.123 58.200 -0.304 0.000 0.873 321 S CB 1.199 64.256 63.200 -0.238 0.000 1.181 321 S HN 0.328 nan 8.310 nan 0.000 0.489 322 K N 2.305 122.522 120.400 -0.305 0.000 2.367 322 K HA 0.629 4.888 4.320 -0.103 0.000 0.263 322 K C -1.505 175.114 176.600 0.031 0.000 1.000 322 K CA -0.347 55.820 56.287 -0.201 0.000 0.891 322 K CB -0.233 32.090 32.500 -0.296 0.000 1.117 322 K HN 0.635 nan 8.250 nan 0.000 0.443 323 I N 3.079 123.702 120.570 0.089 0.000 2.656 323 I HA 0.330 4.438 4.170 -0.103 0.000 0.292 323 I C -0.421 175.833 176.117 0.228 0.000 1.144 323 I CA -0.968 60.428 61.300 0.159 0.000 1.038 323 I CB 2.309 40.329 38.000 0.032 0.000 1.244 323 I HN 0.428 nan 8.210 nan 0.000 0.420 324 N N 4.530 123.389 118.700 0.265 0.000 2.453 324 N HA 0.586 5.264 4.740 -0.103 0.000 0.290 324 N C -1.161 174.384 175.510 0.058 0.000 1.250 324 N CA -0.579 52.591 53.050 0.200 0.000 0.815 324 N CB 2.222 40.868 38.487 0.266 0.000 1.381 324 N HN 0.297 nan 8.380 nan 0.000 0.510 325 I N 1.083 121.623 120.570 -0.050 0.000 2.339 325 I HA 0.420 4.528 4.170 -0.103 0.000 0.290 325 I C 0.356 176.410 176.117 -0.105 0.000 0.994 325 I CA -0.902 60.336 61.300 -0.103 0.000 1.191 325 I CB 0.377 38.273 38.000 -0.172 0.000 1.343 325 I HN 0.429 nan 8.210 nan 0.000 0.458 326 A N 6.792 129.528 122.820 -0.139 0.000 2.293 326 A HA 0.759 5.017 4.320 -0.103 0.000 0.302 326 A C -1.103 176.518 177.584 0.060 0.000 1.119 326 A CA -0.288 51.674 52.037 -0.124 0.000 0.823 326 A CB 1.004 19.745 19.000 -0.432 0.000 1.097 326 A HN 0.575 nan 8.150 nan 0.000 0.491 327 F N 0.410 120.465 119.950 0.174 0.000 2.591 327 F HA 0.682 5.149 4.527 -0.102 0.000 0.309 327 F C -0.254 175.793 175.800 0.411 0.000 1.098 327 F CA 0.083 58.277 58.000 0.323 0.000 0.937 327 F CB 1.837 40.956 39.000 0.198 0.000 1.250 327 F HN 0.944 nan 8.300 nan 0.000 0.447 328 A N 4.861 127.447 122.820 -0.390 0.000 2.606 328 A HA 0.757 5.015 4.320 -0.103 0.000 0.293 328 A C -1.857 175.503 177.584 -0.372 0.000 1.082 328 A CA -0.881 50.973 52.037 -0.304 0.000 0.685 328 A CB 1.978 20.774 19.000 -0.341 0.000 1.284 328 A HN 0.847 nan 8.150 nan 0.000 0.408 329 K N -0.440 119.913 120.400 -0.079 0.000 2.482 329 K HA 0.837 5.095 4.320 -0.103 0.000 0.257 329 K C -0.954 175.515 176.600 -0.217 0.000 0.969 329 K CA -0.575 55.679 56.287 -0.055 0.000 0.842 329 K CB 2.145 34.609 32.500 -0.060 0.000 1.359 329 K HN 0.671 nan 8.250 nan 0.000 0.441 330 S N 0.120 115.482 115.700 -0.564 0.000 2.532 330 S HA 0.287 4.696 4.470 -0.103 0.000 0.299 330 S C -0.010 174.327 174.600 -0.437 0.000 1.105 330 S CA -0.459 57.248 58.200 -0.820 0.000 1.018 330 S CB 1.253 63.414 63.200 -1.731 0.000 1.021 330 S HN 0.720 nan 8.310 nan 0.000 0.483 331 T N -0.006 114.364 114.554 -0.306 0.000 3.092 331 T HA 0.224 4.512 4.350 -0.103 0.000 0.258 331 T C 0.029 174.632 174.700 -0.163 0.000 1.031 331 T CA -0.019 61.972 62.100 -0.182 0.000 0.925 331 T CB -0.275 68.523 68.868 -0.117 0.000 1.036 331 T HN 0.614 nan 8.240 nan 0.000 0.544 332 D N 0.418 120.687 120.400 -0.217 0.000 2.788 332 D HA 0.332 4.910 4.640 -0.103 0.000 0.289 332 D C 1.223 177.438 176.300 -0.141 0.000 1.340 332 D CA -0.493 53.415 54.000 -0.153 0.000 0.831 332 D CB -0.327 40.392 40.800 -0.135 0.000 1.103 332 D HN 0.345 nan 8.370 nan 0.000 0.476 333 G N -0.094 108.617 108.800 -0.147 0.000 2.198 333 G HA2 0.005 3.904 3.960 -0.103 0.000 0.257 333 G HA3 0.005 3.904 3.960 -0.103 0.000 0.257 333 G C 1.132 176.003 174.900 -0.048 0.000 1.042 333 G CA 0.314 45.369 45.100 -0.074 0.000 0.791 333 G HN 1.452 nan 8.290 nan 0.000 0.502 334 G N -1.376 107.264 108.800 -0.266 0.000 2.141 334 G HA2 -0.314 3.584 3.960 -0.103 0.000 0.242 334 G HA3 -0.314 3.584 3.960 -0.103 0.000 0.242 334 G C 0.998 175.914 174.900 0.028 0.000 0.982 334 G CA 0.983 45.962 45.100 -0.202 0.000 0.662 334 G HN 0.739 nan 8.290 nan 0.000 0.527 335 N N 0.190 118.822 118.700 -0.113 0.000 2.173 335 N HA 0.059 4.737 4.740 -0.103 0.000 0.184 335 N C 1.405 176.892 175.510 -0.039 0.000 1.025 335 N CA 1.860 54.912 53.050 0.003 0.000 0.852 335 N CB -0.040 38.432 38.487 -0.025 0.000 0.998 335 N HN 0.851 nan 8.380 nan 0.000 0.427 336 T N -2.528 111.872 114.554 -0.256 0.000 2.907 336 T HA 0.603 4.891 4.350 -0.103 0.000 0.292 336 T C -1.270 173.134 174.700 -0.494 0.000 1.043 336 T CA -0.812 61.178 62.100 -0.183 0.000 1.003 336 T CB 1.560 70.370 68.868 -0.096 0.000 1.084 336 T HN 0.054 nan 8.240 nan 0.000 0.483 337 W N 1.310 122.534 121.300 -0.127 0.000 2.761 337 W HA 0.608 5.204 4.660 -0.106 0.000 0.340 337 W C 0.592 177.030 176.519 -0.134 0.000 1.072 337 W CA -0.755 56.480 57.345 -0.183 0.000 1.215 337 W CB 1.765 31.044 29.460 -0.302 0.000 1.420 337 W HN 0.995 nan 8.180 nan 0.000 0.519 338 S N 0.056 115.802 115.700 0.077 0.000 2.589 338 S HA 0.092 4.500 4.470 -0.103 0.000 0.265 338 S C 0.104 174.744 174.600 0.067 0.000 1.342 338 S CA -0.647 57.586 58.200 0.055 0.000 1.005 338 S CB 0.843 64.076 63.200 0.055 0.000 0.909 338 S HN 0.564 nan 8.310 nan 0.000 0.555 339 E N 2.431 122.676 120.200 0.075 0.000 2.351 339 E HA 0.134 4.422 4.350 -0.103 0.000 0.266 339 E C -1.916 174.751 176.600 0.111 0.000 1.031 339 E CA -1.789 54.660 56.400 0.081 0.000 0.911 339 E CB 0.254 30.004 29.700 0.082 0.000 0.986 339 E HN 0.463 nan 8.360 nan 0.000 0.446 340 P HA -0.033 nan 4.420 nan 0.000 0.269 340 P C -0.584 176.857 177.300 0.235 0.000 1.209 340 P CA -0.064 63.168 63.100 0.220 0.000 0.776 340 P CB 0.957 32.842 31.700 0.309 0.000 0.876 341 T N -0.677 114.062 114.554 0.308 0.000 2.927 341 T HA 0.558 4.846 4.350 -0.103 0.000 0.286 341 T C -0.330 174.483 174.700 0.189 0.000 1.040 341 T CA -0.830 61.416 62.100 0.245 0.000 1.010 341 T CB 0.893 69.935 68.868 0.289 0.000 1.177 341 T HN 0.080 nan 8.240 nan 0.000 0.546 342 L N 2.116 123.390 121.223 0.086 0.000 2.495 342 L HA 0.423 4.701 4.340 -0.103 0.000 0.248 342 L C -1.942 174.837 176.870 -0.152 0.000 1.229 342 L CA -2.414 52.423 54.840 -0.004 0.000 0.942 342 L CB 0.741 42.823 42.059 0.040 0.000 1.242 342 L HN 0.492 nan 8.230 nan 0.000 0.484 343 P HA -0.074 nan 4.420 nan 0.000 0.218 343 P C 0.045 176.974 177.300 -0.618 0.000 1.148 343 P CA 0.929 63.639 63.100 -0.650 0.000 0.822 343 P CB 0.392 31.327 31.700 -1.275 0.000 0.784 344 L N 0.216 121.070 121.223 -0.615 0.000 2.342 344 L HA 0.414 4.692 4.340 -0.103 0.000 0.276 344 L C 0.113 176.583 176.870 -0.667 0.000 0.997 344 L CA -0.708 53.575 54.840 -0.927 0.000 0.838 344 L CB 0.867 42.167 42.059 -1.265 0.000 1.224 344 L HN 0.042 nan 8.230 nan 0.000 0.416 345 K N 1.865 121.982 120.400 -0.471 0.000 2.575 345 K HA 0.720 4.978 4.320 -0.103 0.000 0.279 345 K C -1.705 174.874 176.600 -0.034 0.000 0.969 345 K CA -0.762 55.466 56.287 -0.098 0.000 0.868 345 K CB 1.932 34.420 32.500 -0.019 0.000 1.457 345 K HN -0.007 nan 8.250 nan 0.000 0.426 346 F N 0.648 120.760 119.950 0.270 0.000 2.561 346 F HA 0.367 4.832 4.527 -0.103 0.000 0.321 346 F C 0.214 176.109 175.800 0.159 0.000 1.065 346 F CA -0.911 57.260 58.000 0.286 0.000 0.934 346 F CB 2.087 41.247 39.000 0.266 0.000 1.215 346 F HN 0.653 nan 8.300 nan 0.000 0.471 347 D N 0.189 120.843 120.400 0.424 0.000 2.469 347 D HA -0.009 4.569 4.640 -0.103 0.000 0.215 347 D C 1.115 177.396 176.300 -0.031 0.000 1.154 347 D CA 0.352 54.458 54.000 0.177 0.000 0.832 347 D CB 0.226 41.145 40.800 0.199 0.000 1.008 347 D HN 0.563 nan 8.370 nan 0.000 0.506 348 D N -0.095 120.067 120.400 -0.398 0.000 2.178 348 D HA -0.207 4.371 4.640 -0.103 0.000 0.201 348 D C 0.250 176.517 176.300 -0.054 0.000 0.980 348 D CA 0.905 54.557 54.000 -0.580 0.000 0.842 348 D CB -0.186 39.882 40.800 -1.220 0.000 0.948 348 D HN 0.179 nan 8.370 nan 0.000 0.472 349 Y N 0.024 120.231 120.300 -0.155 0.000 2.409 349 Y HA 0.390 4.878 4.550 -0.103 0.000 0.343 349 Y C 0.379 176.296 175.900 0.028 0.000 0.973 349 Y CA -1.582 56.522 58.100 0.006 0.000 1.064 349 Y CB 1.672 40.113 38.460 -0.032 0.000 1.207 349 Y HN -0.180 nan 8.280 nan 0.000 0.452 350 I N 2.968 123.635 120.570 0.161 0.000 2.752 350 I HA 0.272 4.380 4.170 -0.103 0.000 0.287 350 I C -0.024 176.106 176.117 0.022 0.000 1.188 350 I CA -0.085 61.244 61.300 0.049 0.000 1.427 350 I CB 0.530 38.508 38.000 -0.036 0.000 1.365 350 I HN 0.783 nan 8.210 nan 0.000 0.585 351 A N 8.302 131.039 122.820 -0.140 0.000 2.269 351 A HA 0.532 4.790 4.320 -0.103 0.000 0.302 351 A C -0.548 177.007 177.584 -0.048 0.000 1.266 351 A CA -0.443 51.357 52.037 -0.396 0.000 0.894 351 A CB 0.225 18.958 19.000 -0.445 0.000 1.147 351 A HN 0.737 nan 8.150 nan 0.000 0.537 352 K N 1.993 122.467 120.400 0.123 0.000 2.555 352 K HA 0.385 4.643 4.320 -0.103 0.000 0.279 352 K C -1.357 175.397 176.600 0.257 0.000 0.986 352 K CA -0.973 55.403 56.287 0.148 0.000 0.880 352 K CB 1.158 33.663 32.500 0.007 0.000 1.474 352 K HN 0.412 nan 8.250 nan 0.000 0.433 353 N N 1.746 120.538 118.700 0.152 0.000 2.406 353 N HA 0.268 4.946 4.740 -0.103 0.000 0.251 353 N C -1.007 174.585 175.510 0.136 0.000 1.069 353 N CA -0.187 52.931 53.050 0.113 0.000 0.947 353 N CB 0.940 39.455 38.487 0.047 0.000 1.111 353 N HN 0.529 nan 8.380 nan 0.000 0.497 354 I N 1.326 122.032 120.570 0.227 0.000 2.533 354 I HA 0.206 4.314 4.170 -0.103 0.000 0.290 354 I C -1.132 175.209 176.117 0.373 0.000 1.056 354 I CA -0.841 60.636 61.300 0.294 0.000 1.057 354 I CB 1.845 40.099 38.000 0.424 0.000 1.240 354 I HN 0.184 nan 8.210 nan 0.000 0.423 355 D N 8.219 128.772 120.400 0.256 0.000 2.344 355 D HA 0.070 4.648 4.640 -0.103 0.000 0.253 355 D C -0.686 175.782 176.300 0.279 0.000 1.255 355 D CA 0.244 54.404 54.000 0.265 0.000 0.894 355 D CB 0.660 41.530 40.800 0.116 0.000 1.067 355 D HN 0.397 nan 8.370 nan 0.000 0.492 356 W N 4.589 125.969 121.300 0.134 0.000 2.238 356 W HA 0.131 4.728 4.660 -0.104 0.000 0.321 356 W C -1.944 174.459 176.519 -0.194 0.000 1.293 356 W CA -1.692 55.585 57.345 -0.114 0.000 1.204 356 W CB 0.961 30.140 29.460 -0.469 0.000 1.167 356 W HN 0.211 nan 8.180 nan 0.000 0.553 357 P HA 0.035 nan 4.420 nan 0.000 0.268 357 P C -0.066 177.192 177.300 -0.070 0.000 1.205 357 P CA 0.452 63.322 63.100 -0.383 0.000 0.771 357 P CB 0.787 32.046 31.700 -0.734 0.000 0.858 358 R N 0.879 121.377 120.500 -0.003 0.000 2.472 358 R HA 0.104 4.382 4.340 -0.103 0.000 0.279 358 R C 0.686 177.000 176.300 0.023 0.000 0.953 358 R CA -0.148 55.999 56.100 0.079 0.000 1.088 358 R CB 0.245 30.587 30.300 0.071 0.000 1.197 358 R HN 0.646 nan 8.270 nan 0.000 0.536 359 D N 0.533 120.918 120.400 -0.024 0.000 2.371 359 D HA -0.056 4.522 4.640 -0.103 0.000 0.242 359 D C 0.964 177.264 176.300 -0.001 0.000 1.218 359 D CA 0.141 54.128 54.000 -0.022 0.000 0.945 359 D CB 0.874 41.643 40.800 -0.051 0.000 1.137 359 D HN -0.067 nan 8.370 nan 0.000 0.464 360 S N 0.049 115.751 115.700 0.003 0.000 2.440 360 S HA -0.157 4.251 4.470 -0.103 0.000 0.240 360 S C 1.724 176.335 174.600 0.018 0.000 1.014 360 S CA 1.159 59.366 58.200 0.012 0.000 0.980 360 S CB -0.463 62.743 63.200 0.011 0.000 0.775 360 S HN 0.462 nan 8.310 nan 0.000 0.499 361 V N 1.416 121.335 119.914 0.008 0.000 2.490 361 V HA 0.244 4.303 4.120 -0.103 0.000 0.238 361 V C 2.901 179.015 176.094 0.033 0.000 1.056 361 V CA 1.124 63.435 62.300 0.018 0.000 1.075 361 V CB -1.490 30.337 31.823 0.007 0.000 0.746 361 V HN 0.554 nan 8.190 nan 0.000 0.479 362 G N 1.516 110.299 108.800 -0.028 0.000 2.450 362 G HA2 -0.298 3.600 3.960 -0.103 0.000 0.220 362 G HA3 -0.298 3.600 3.960 -0.103 0.000 0.220 362 G C 1.492 176.421 174.900 0.049 0.000 1.130 362 G CA 1.280 46.322 45.100 -0.096 0.000 0.760 362 G HN 0.671 nan 8.290 nan 0.000 0.557 363 K N 0.323 120.806 120.400 0.139 0.000 2.211 363 K HA -0.081 4.177 4.320 -0.103 0.000 0.204 363 K C 1.734 178.671 176.600 0.562 0.000 1.047 363 K CA 1.455 57.987 56.287 0.407 0.000 0.935 363 K CB -0.258 32.381 32.500 0.232 0.000 0.728 363 K HN 0.157 nan 8.250 nan 0.000 0.452 364 N N 1.075 119.971 118.700 0.326 0.000 2.446 364 N HA 0.001 4.679 4.740 -0.103 0.000 0.179 364 N C -0.014 175.602 175.510 0.178 0.000 1.054 364 N CA 0.375 53.575 53.050 0.251 0.000 0.905 364 N CB 0.119 38.669 38.487 0.106 0.000 0.973 364 N HN 0.011 nan 8.380 nan 0.000 0.448 365 V N 2.743 122.844 119.914 0.312 0.000 2.614 365 V HA 0.076 4.134 4.120 -0.103 0.000 0.291 365 V C 0.474 176.789 176.094 0.369 0.000 1.049 365 V CA -0.115 62.361 62.300 0.293 0.000 1.038 365 V CB 0.941 33.002 31.823 0.396 0.000 0.980 365 V HN 0.276 nan 8.190 nan 0.000 0.481 366 Q N 3.940 123.772 119.800 0.054 0.000 2.456 366 Q HA 0.652 4.930 4.340 -0.103 0.000 0.283 366 Q C -0.968 175.012 176.000 -0.034 0.000 1.084 366 Q CA -1.081 54.688 55.803 -0.057 0.000 0.801 366 Q CB 2.218 30.668 28.738 -0.480 0.000 1.434 366 Q HN 0.545 nan 8.270 nan 0.000 0.419 367 I N 2.529 123.029 120.570 -0.118 0.000 2.683 367 I HA -0.133 3.975 4.170 -0.103 0.000 0.286 367 I C 1.133 177.093 176.117 -0.262 0.000 1.175 367 I CA 0.136 61.308 61.300 -0.212 0.000 1.429 367 I CB 0.633 38.376 38.000 -0.428 0.000 1.371 367 I HN 0.649 nan 8.210 nan 0.000 0.569 368 Q N 4.904 124.569 119.800 -0.225 0.000 2.259 368 Q HA 0.080 4.358 4.340 -0.103 0.000 0.201 368 Q C 1.608 177.446 176.000 -0.271 0.000 0.938 368 Q CA 0.809 56.485 55.803 -0.211 0.000 0.872 368 Q CB 0.288 28.947 28.738 -0.131 0.000 0.971 368 Q HN 0.909 nan 8.270 nan 0.000 0.494 369 G N 0.636 109.223 108.800 -0.355 0.000 3.690 369 G HA2 0.153 4.051 3.960 -0.103 0.000 0.283 369 G HA3 0.153 4.051 3.960 -0.103 0.000 0.283 369 G C -0.139 174.395 174.900 -0.610 0.000 1.057 369 G CA -0.091 44.784 45.100 -0.374 0.000 0.821 369 G HN 0.084 nan 8.290 nan 0.000 0.526 370 S N -0.050 115.112 115.700 -0.897 0.000 2.565 370 S HA 0.764 5.172 4.470 -0.103 0.000 0.290 370 S C 0.520 174.835 174.600 -0.475 0.000 1.150 370 S CA -0.174 57.472 58.200 -0.924 0.000 1.058 370 S CB 1.318 63.780 63.200 -1.229 0.000 1.032 370 S HN 0.542 nan 8.310 nan 0.000 0.510 371 A N 2.547 125.140 122.820 -0.379 0.000 2.271 371 A HA 0.818 5.076 4.320 -0.103 0.000 0.288 371 A C 0.106 177.606 177.584 -0.141 0.000 1.094 371 A CA -0.234 51.584 52.037 -0.366 0.000 0.828 371 A CB 0.402 18.957 19.000 -0.741 0.000 1.091 371 A HN 1.479 nan 8.150 nan 0.000 0.493 372 S N -1.162 114.519 115.700 -0.033 0.000 2.611 372 S HA 0.671 5.079 4.470 -0.103 0.000 0.268 372 S C -1.546 173.019 174.600 -0.059 0.000 1.156 372 S CA -0.667 57.587 58.200 0.090 0.000 0.817 372 S CB 0.550 63.734 63.200 -0.028 0.000 1.122 372 S HN 0.597 nan 8.310 nan 0.000 0.466 373 Y N 0.275 120.616 120.300 0.069 0.000 2.446 373 Y HA 0.831 5.319 4.550 -0.103 0.000 0.345 373 Y C -0.097 175.788 175.900 -0.025 0.000 0.984 373 Y CA -0.851 57.236 58.100 -0.022 0.000 1.058 373 Y CB 1.900 40.291 38.460 -0.114 0.000 1.220 373 Y HN 0.893 nan 8.280 nan 0.000 0.455 374 I N 2.518 123.163 120.570 0.126 0.000 2.775 374 I HA 0.329 4.437 4.170 -0.103 0.000 0.295 374 I C -1.805 174.355 176.117 0.072 0.000 1.287 374 I CA -0.574 60.763 61.300 0.062 0.000 1.029 374 I CB 1.868 39.870 38.000 0.004 0.000 1.282 374 I HN 0.691 nan 8.210 nan 0.000 0.426 375 D N 5.401 125.847 120.400 0.077 0.000 4.161 375 D HA -0.079 4.499 4.640 -0.103 0.000 0.246 375 D C -2.531 173.847 176.300 0.129 0.000 1.064 375 D CA 0.405 54.474 54.000 0.116 0.000 1.187 375 D CB -0.448 40.428 40.800 0.127 0.000 0.871 375 D HN 0.340 nan 8.370 nan 0.000 0.413 376 P HA 0.385 nan 4.420 nan 0.000 0.281 376 P C -0.508 176.913 177.300 0.202 0.000 1.249 376 P CA -0.562 62.629 63.100 0.151 0.000 0.810 376 P CB 1.483 33.254 31.700 0.119 0.000 1.008 377 V N 3.604 123.675 119.914 0.262 0.000 2.577 377 V HA 0.360 4.418 4.120 -0.103 0.000 0.303 377 V C 0.223 176.578 176.094 0.435 0.000 1.042 377 V CA -0.612 61.876 62.300 0.313 0.000 0.872 377 V CB 1.793 33.770 31.823 0.255 0.000 0.998 377 V HN 0.420 nan 8.190 nan 0.000 0.423 378 L N 5.209 126.670 121.223 0.396 0.000 2.331 378 L HA 0.771 5.050 4.340 -0.103 0.000 0.275 378 L C -0.915 176.238 176.870 0.472 0.000 1.022 378 L CA -0.738 54.370 54.840 0.446 0.000 0.812 378 L CB 1.933 44.234 42.059 0.404 0.000 1.257 378 L HN 0.496 nan 8.230 nan 0.000 0.435 379 L N 2.213 123.767 121.223 0.553 0.000 2.506 379 L HA 0.475 4.753 4.340 -0.103 0.000 0.257 379 L C -1.269 175.956 176.870 0.591 0.000 0.964 379 L CA -0.127 55.046 54.840 0.555 0.000 0.836 379 L CB 2.281 44.730 42.059 0.650 0.000 1.384 379 L HN 0.633 nan 8.230 nan 0.000 0.410 380 E N 2.330 122.809 120.200 0.465 0.000 2.222 380 E HA 0.265 4.553 4.350 -0.103 0.000 0.267 380 E C -1.641 175.201 176.600 0.404 0.000 0.884 380 E CA -0.627 56.010 56.400 0.396 0.000 0.764 380 E CB 1.574 31.429 29.700 0.259 0.000 1.169 380 E HN 0.651 nan 8.360 nan 0.000 0.413 381 D N 4.306 124.963 120.400 0.429 0.000 2.396 381 D HA 0.111 4.689 4.640 -0.103 0.000 0.225 381 D C 0.413 176.845 176.300 0.221 0.000 1.121 381 D CA -0.117 54.109 54.000 0.377 0.000 0.853 381 D CB 0.973 42.066 40.800 0.487 0.000 1.043 381 D HN 0.427 nan 8.370 nan 0.000 0.500 382 K N 2.516 123.025 120.400 0.181 0.000 2.280 382 K HA -0.102 4.156 4.320 -0.103 0.000 0.202 382 K C 1.471 178.121 176.600 0.083 0.000 1.047 382 K CA 0.513 56.871 56.287 0.119 0.000 0.942 382 K CB 0.402 32.965 32.500 0.105 0.000 0.739 382 K HN 0.340 nan 8.250 nan 0.000 0.457 383 L N 0.359 121.638 121.223 0.093 0.000 2.044 383 L HA -0.108 4.170 4.340 -0.103 0.000 0.205 383 L C 2.519 179.371 176.870 -0.029 0.000 1.075 383 L CA 1.943 56.803 54.840 0.032 0.000 0.747 383 L CB -1.246 40.839 42.059 0.044 0.000 0.903 383 L HN 0.264 nan 8.230 nan 0.000 0.435 384 T N -5.450 109.083 114.554 -0.035 0.000 3.065 384 T HA 0.052 4.341 4.350 -0.103 0.000 0.252 384 T C 0.953 175.632 174.700 -0.035 0.000 1.099 384 T CA -0.064 61.994 62.100 -0.070 0.000 1.063 384 T CB 0.221 69.027 68.868 -0.103 0.000 0.948 384 T HN 0.108 nan 8.240 nan 0.000 0.506 385 K N -0.085 120.320 120.400 0.008 0.000 3.547 385 K HA -0.164 4.094 4.320 -0.103 0.000 0.309 385 K C 0.349 176.934 176.600 -0.025 0.000 1.324 385 K CA 0.731 57.023 56.287 0.008 0.000 0.988 385 K CB -1.738 30.757 32.500 -0.009 0.000 1.261 385 K HN 0.671 nan 8.250 nan 0.000 0.444 386 R N 1.643 122.103 120.500 -0.066 0.000 2.543 386 R HA 0.361 4.639 4.340 -0.103 0.000 0.277 386 R C 0.750 176.892 176.300 -0.264 0.000 1.074 386 R CA -0.123 55.844 56.100 -0.221 0.000 1.076 386 R CB 0.401 30.486 30.300 -0.358 0.000 0.993 386 R HN 0.325 nan 8.270 nan 0.000 0.459 387 I N 0.431 120.803 120.570 -0.329 0.000 2.648 387 I HA 0.579 4.687 4.170 -0.103 0.000 0.304 387 I C -1.329 174.626 176.117 -0.271 0.000 1.009 387 I CA -1.052 60.171 61.300 -0.129 0.000 1.114 387 I CB 1.631 39.658 38.000 0.044 0.000 1.293 387 I HN 0.404 nan 8.210 nan 0.000 0.449 388 F N 4.401 124.520 119.950 0.281 0.000 2.576 388 F HA 0.666 5.131 4.527 -0.103 0.000 0.313 388 F C -0.797 175.064 175.800 0.102 0.000 1.078 388 F CA -0.851 57.247 58.000 0.163 0.000 0.921 388 F CB 2.097 41.113 39.000 0.026 0.000 1.232 388 F HN 0.365 nan 8.300 nan 0.000 0.459 389 L N 3.559 124.820 121.223 0.063 0.000 2.372 389 L HA 0.698 4.976 4.340 -0.103 0.000 0.274 389 L C -1.820 174.878 176.870 -0.287 0.000 0.988 389 L CA -0.523 54.286 54.840 -0.051 0.000 0.833 389 L CB 0.636 42.513 42.059 -0.304 0.000 1.236 389 L HN 0.419 nan 8.230 nan 0.000 0.410 390 F N 3.957 123.953 119.950 0.076 0.000 2.507 390 F HA 0.940 5.405 4.527 -0.104 0.000 0.327 390 F C 0.419 176.226 175.800 0.011 0.000 1.068 390 F CA -0.245 57.766 58.000 0.019 0.000 0.965 390 F CB 2.070 41.064 39.000 -0.009 0.000 1.192 390 F HN 0.687 nan 8.300 nan 0.000 0.476 391 A N 0.740 123.681 122.820 0.202 0.000 2.608 391 A HA 0.533 4.791 4.320 -0.103 0.000 0.292 391 A C -1.906 175.776 177.584 0.163 0.000 1.066 391 A CA -1.021 51.110 52.037 0.157 0.000 0.676 391 A CB 1.061 20.127 19.000 0.110 0.000 1.277 391 A HN 0.574 nan 8.150 nan 0.000 0.413 392 D N 1.069 121.537 120.400 0.113 0.000 2.350 392 D HA 0.409 4.987 4.640 -0.103 0.000 0.249 392 D C -0.436 175.889 176.300 0.042 0.000 1.119 392 D CA 0.206 54.237 54.000 0.052 0.000 0.886 392 D CB 1.624 42.415 40.800 -0.016 0.000 1.195 392 D HN 0.448 nan 8.370 nan 0.000 0.437 393 L N 3.133 124.335 121.223 -0.036 0.000 2.294 393 L HA 0.343 4.621 4.340 -0.103 0.000 0.283 393 L C -1.148 175.585 176.870 -0.228 0.000 1.015 393 L CA -0.497 54.182 54.840 -0.268 0.000 0.831 393 L CB 0.997 42.855 42.059 -0.334 0.000 1.217 393 L HN 0.160 nan 8.230 nan 0.000 0.420 394 M N 6.975 126.427 119.600 -0.246 0.000 2.088 394 M HA 0.472 4.890 4.480 -0.103 0.000 0.346 394 M C -2.218 173.941 176.300 -0.235 0.000 1.111 394 M CA -2.206 52.983 55.300 -0.184 0.000 1.017 394 M CB 0.855 33.361 32.600 -0.155 0.000 1.568 394 M HN 0.363 nan 8.290 nan 0.000 0.445 395 P HA 0.084 nan 4.420 nan 0.000 0.271 395 P C -0.459 176.756 177.300 -0.143 0.000 1.244 395 P CA -0.205 62.853 63.100 -0.070 0.000 0.793 395 P CB 0.464 32.241 31.700 0.129 0.000 0.984 396 A N 1.343 124.085 122.820 -0.129 0.000 2.567 396 A HA 0.353 4.611 4.320 -0.103 0.000 0.240 396 A C 1.521 178.999 177.584 -0.177 0.000 1.053 396 A CA 0.826 52.754 52.037 -0.182 0.000 0.755 396 A CB -1.716 17.202 19.000 -0.138 0.000 0.978 396 A HN 0.884 nan 8.150 nan 0.000 0.507 397 G N 1.226 109.887 108.800 -0.231 0.000 2.166 397 G HA2 -0.203 3.695 3.960 -0.103 0.000 0.260 397 G HA3 -0.203 3.695 3.960 -0.103 0.000 0.260 397 G C 0.084 174.884 174.900 -0.166 0.000 0.986 397 G CA 0.526 45.504 45.100 -0.204 0.000 0.683 397 G HN 0.716 nan 8.290 nan 0.000 0.527 398 I N 0.488 120.963 120.570 -0.160 0.000 2.525 398 I HA 0.768 4.876 4.170 -0.103 0.000 0.301 398 I C 0.862 176.894 176.117 -0.142 0.000 0.992 398 I CA -0.054 61.164 61.300 -0.137 0.000 1.162 398 I CB 1.233 39.164 38.000 -0.116 0.000 1.332 398 I HN 0.232 nan 8.210 nan 0.000 0.458 399 G N 2.135 110.856 108.800 -0.131 0.000 2.708 399 G HA2 0.399 4.298 3.960 -0.103 0.000 0.289 399 G HA3 0.399 4.298 3.960 -0.103 0.000 0.289 399 G C 0.223 175.039 174.900 -0.141 0.000 1.416 399 G CA -0.218 44.799 45.100 -0.139 0.000 0.829 399 G HN 0.472 nan 8.290 nan 0.000 0.480 400 S N -0.244 115.336 115.700 -0.201 0.000 2.383 400 S HA -0.191 4.217 4.470 -0.103 0.000 0.229 400 S C 2.727 177.248 174.600 -0.132 0.000 1.030 400 S CA 2.172 60.190 58.200 -0.303 0.000 1.002 400 S CB -0.270 62.522 63.200 -0.680 0.000 0.829 400 S HN 0.961 nan 8.310 nan 0.000 0.467 401 S N 2.599 118.239 115.700 -0.100 0.000 2.453 401 S HA -0.057 4.351 4.470 -0.103 0.000 0.231 401 S C 1.181 175.781 174.600 0.000 0.000 1.005 401 S CA 0.981 59.172 58.200 -0.014 0.000 0.949 401 S CB -0.359 62.821 63.200 -0.033 0.000 0.774 401 S HN 0.709 nan 8.310 nan 0.000 0.510 402 N N 1.307 119.987 118.700 -0.034 0.000 2.235 402 N HA 0.328 5.006 4.740 -0.103 0.000 0.231 402 N C -0.056 175.424 175.510 -0.050 0.000 1.177 402 N CA 0.068 53.094 53.050 -0.039 0.000 0.874 402 N CB 0.146 38.595 38.487 -0.063 0.000 1.097 402 N HN 0.406 nan 8.380 nan 0.000 0.518 403 A N 0.596 123.400 122.820 -0.028 0.000 2.425 403 A HA 0.456 4.714 4.320 -0.103 0.000 0.249 403 A C 0.354 177.906 177.584 -0.052 0.000 1.084 403 A CA -0.171 51.836 52.037 -0.050 0.000 0.781 403 A CB 0.229 19.229 19.000 -0.001 0.000 1.019 403 A HN 0.298 nan 8.150 nan 0.000 0.490 404 S N 0.359 115.973 115.700 -0.142 0.000 2.580 404 S HA 0.342 4.750 4.470 -0.103 0.000 0.274 404 S C 0.226 174.844 174.600 0.030 0.000 1.329 404 S CA -0.605 57.524 58.200 -0.119 0.000 1.036 404 S CB 1.040 64.012 63.200 -0.380 0.000 0.919 404 S HN 0.556 nan 8.310 nan 0.000 0.515 405 V N 2.790 122.761 119.914 0.095 0.000 2.521 405 V HA 0.630 4.688 4.120 -0.103 0.000 0.286 405 V C 0.893 177.113 176.094 0.210 0.000 1.034 405 V CA 0.672 63.036 62.300 0.107 0.000 1.045 405 V CB -0.072 31.785 31.823 0.058 0.000 0.974 405 V HN 1.146 nan 8.190 nan 0.000 0.480 406 G N 3.383 112.266 108.800 0.138 0.000 2.347 406 G HA2 0.202 4.101 3.960 -0.103 0.000 0.321 406 G HA3 0.202 4.101 3.960 -0.103 0.000 0.321 406 G C 0.272 175.193 174.900 0.036 0.000 1.412 406 G CA -0.001 45.132 45.100 0.055 0.000 0.990 406 G HN 0.929 nan 8.290 nan 0.000 0.637 407 S N -1.190 114.489 115.700 -0.035 0.000 2.425 407 S HA 0.397 4.805 4.470 -0.103 0.000 0.225 407 S C 2.114 176.820 174.600 0.178 0.000 1.024 407 S CA 1.644 59.868 58.200 0.041 0.000 0.951 407 S CB 0.213 63.446 63.200 0.055 0.000 0.796 407 S HN 2.899 nan 8.310 nan 0.000 0.498 408 G N 0.090 108.922 108.800 0.053 0.000 2.175 408 G HA2 -0.177 3.722 3.960 -0.103 0.000 0.244 408 G HA3 -0.177 3.722 3.960 -0.103 0.000 0.244 408 G C -0.132 174.775 174.900 0.012 0.000 0.982 408 G CA 0.168 45.358 45.100 0.150 0.000 0.641 408 G HN 0.479 nan 8.290 nan 0.000 0.527 409 F N 0.108 120.045 119.950 -0.021 0.000 2.598 409 F HA 0.805 5.270 4.527 -0.103 0.000 0.327 409 F C 0.357 176.136 175.800 -0.034 0.000 1.057 409 F CA -0.980 57.030 58.000 0.016 0.000 0.957 409 F CB 2.072 41.084 39.000 0.021 0.000 1.278 409 F HN 0.032 nan 8.300 nan 0.000 0.484 410 K N 1.347 121.867 120.400 0.201 0.000 2.468 410 K HA 0.309 4.567 4.320 -0.103 0.000 0.252 410 K C -1.430 175.251 176.600 0.135 0.000 0.932 410 K CA -0.544 55.815 56.287 0.121 0.000 0.794 410 K CB 1.977 34.539 32.500 0.102 0.000 1.241 410 K HN 0.782 nan 8.250 nan 0.000 0.428 411 E N 3.350 123.595 120.200 0.075 0.000 2.167 411 E HA 0.306 4.595 4.350 -0.103 0.000 0.284 411 E C -1.419 175.222 176.600 0.069 0.000 1.016 411 E CA -0.729 55.692 56.400 0.035 0.000 0.817 411 E CB 1.298 31.001 29.700 0.005 0.000 1.080 411 E HN 0.298 nan 8.360 nan 0.000 0.397 412 V N 5.492 125.466 119.914 0.100 0.000 2.623 412 V HA 0.214 4.272 4.120 -0.103 0.000 0.304 412 V C -0.295 175.877 176.094 0.131 0.000 1.054 412 V CA -1.024 61.363 62.300 0.145 0.000 0.882 412 V CB 1.744 33.702 31.823 0.225 0.000 1.002 412 V HN 0.900 nan 8.190 nan 0.000 0.424 413 N N 3.449 122.196 118.700 0.079 0.000 2.747 413 N HA -0.204 4.475 4.740 -0.103 0.000 0.249 413 N C 1.173 176.699 175.510 0.027 0.000 1.107 413 N CA 1.621 54.706 53.050 0.059 0.000 0.707 413 N CB -1.193 37.345 38.487 0.085 0.000 1.054 413 N HN 1.680 nan 8.380 nan 0.000 0.555 414 G N -0.837 107.966 108.800 0.006 0.000 2.184 414 G HA2 -0.379 3.519 3.960 -0.103 0.000 0.264 414 G HA3 -0.379 3.519 3.960 -0.103 0.000 0.264 414 G C 0.022 174.880 174.900 -0.071 0.000 0.975 414 G CA 1.082 46.170 45.100 -0.020 0.000 0.642 414 G HN 0.649 nan 8.290 nan 0.000 0.536 415 K N 0.583 120.898 120.400 -0.141 0.000 2.221 415 K HA 0.515 4.773 4.320 -0.103 0.000 0.258 415 K C 0.023 176.306 176.600 -0.528 0.000 0.944 415 K CA -0.835 55.251 56.287 -0.335 0.000 0.823 415 K CB 0.763 33.005 32.500 -0.431 0.000 1.113 415 K HN 0.115 nan 8.250 nan 0.000 0.431 416 K N 3.006 123.170 120.400 -0.393 0.000 2.276 416 K HA 0.189 4.447 4.320 -0.103 0.000 0.283 416 K C -1.157 175.327 176.600 -0.194 0.000 1.044 416 K CA -0.201 55.967 56.287 -0.198 0.000 0.944 416 K CB 0.564 33.011 32.500 -0.087 0.000 1.012 416 K HN 0.349 nan 8.250 nan 0.000 0.472 417 Y N 1.026 121.502 120.300 0.293 0.000 2.512 417 Y HA 0.274 4.762 4.550 -0.103 0.000 0.348 417 Y C 0.031 175.988 175.900 0.096 0.000 0.990 417 Y CA -1.070 57.171 58.100 0.234 0.000 1.033 417 Y CB 1.173 39.686 38.460 0.088 0.000 1.259 417 Y HN 0.400 nan 8.280 nan 0.000 0.461 418 L N 4.627 125.848 121.223 -0.005 0.000 2.462 418 L HA 0.158 4.436 4.340 -0.103 0.000 0.272 418 L C 0.030 176.809 176.870 -0.151 0.000 1.166 418 L CA -0.148 54.386 54.840 -0.509 0.000 0.880 418 L CB 0.155 41.956 42.059 -0.430 0.000 1.142 418 L HN 0.690 nan 8.230 nan 0.000 0.473 419 K N 5.566 125.892 120.400 -0.125 0.000 2.143 419 K HA 0.632 4.890 4.320 -0.103 0.000 0.272 419 K C -1.304 175.417 176.600 0.201 0.000 1.001 419 K CA -0.745 55.587 56.287 0.075 0.000 0.915 419 K CB 1.559 34.112 32.500 0.089 0.000 1.047 419 K HN 0.506 nan 8.250 nan 0.000 0.458 420 L N 1.839 123.249 121.223 0.311 0.000 2.354 420 L HA 0.538 4.816 4.340 -0.103 0.000 0.264 420 L C -0.368 176.771 176.870 0.448 0.000 1.008 420 L CA -1.158 53.898 54.840 0.360 0.000 0.819 420 L CB 2.280 44.441 42.059 0.172 0.000 1.339 420 L HN 0.711 nan 8.230 nan 0.000 0.420 421 R N 1.982 122.628 120.500 0.243 0.000 2.393 421 R HA 0.211 4.489 4.340 -0.103 0.000 0.315 421 R C -1.072 175.265 176.300 0.062 0.000 0.952 421 R CA -0.550 55.518 56.100 -0.052 0.000 0.842 421 R CB 1.338 31.208 30.300 -0.716 0.000 1.163 421 R HN 0.732 nan 8.270 nan 0.000 0.450 422 W N 7.638 128.874 121.300 -0.107 0.000 2.303 422 W HA -0.008 4.590 4.660 -0.103 0.000 0.318 422 W C 0.913 177.258 176.519 -0.290 0.000 1.362 422 W CA -0.095 56.969 57.345 -0.468 0.000 1.234 422 W CB 0.602 29.779 29.460 -0.472 0.000 1.248 422 W HN 0.863 nan 8.180 nan 0.000 0.546 423 H N 3.579 121.963 119.070 -1.143 0.000 2.518 423 H HA -0.167 4.328 4.556 -0.103 0.000 0.294 423 H C 0.440 175.386 175.328 -0.637 0.000 1.083 423 H CA 1.429 56.988 56.048 -0.815 0.000 1.264 423 H CB -0.121 29.168 29.762 -0.787 0.000 1.370 423 H HN 0.465 nan 8.280 nan 0.000 0.560 424 K N 0.354 120.068 120.400 -1.143 0.000 2.358 424 K HA 0.077 4.335 4.320 -0.103 0.000 0.197 424 K C -0.207 176.330 176.600 -0.106 0.000 1.025 424 K CA -0.247 55.734 56.287 -0.511 0.000 1.104 424 K CB 0.716 33.006 32.500 -0.349 0.000 0.855 424 K HN 0.210 nan 8.250 nan 0.000 0.531 425 D N 0.724 121.104 120.400 -0.034 0.000 2.478 425 D HA 0.221 4.799 4.640 -0.103 0.000 0.274 425 D C 0.058 176.343 176.300 -0.025 0.000 1.234 425 D CA -0.387 53.639 54.000 0.042 0.000 1.069 425 D CB 0.481 41.350 40.800 0.114 0.000 1.113 425 D HN 0.062 nan 8.370 nan 0.000 0.571 426 A N -0.434 122.384 122.820 -0.003 0.000 2.425 426 A HA 0.424 4.682 4.320 -0.103 0.000 0.242 426 A C 1.557 179.127 177.584 -0.025 0.000 1.077 426 A CA 0.330 52.363 52.037 -0.006 0.000 0.781 426 A CB -0.123 18.889 19.000 0.019 0.000 1.020 426 A HN 0.535 nan 8.150 nan 0.000 0.494 427 G N 0.804 109.599 108.800 -0.009 0.000 2.550 427 G HA2 -0.268 3.630 3.960 -0.103 0.000 0.222 427 G HA3 -0.268 3.630 3.960 -0.103 0.000 0.222 427 G C 1.074 176.005 174.900 0.051 0.000 1.113 427 G CA 1.322 46.422 45.100 0.002 0.000 0.748 427 G HN 0.985 nan 8.290 nan 0.000 0.585 428 R N -0.994 119.571 120.500 0.107 0.000 2.700 428 R HA 0.659 4.937 4.340 -0.103 0.000 0.399 428 R C 0.130 176.588 176.300 0.263 0.000 1.115 428 R CA 0.066 56.340 56.100 0.289 0.000 1.058 428 R CB 0.492 30.966 30.300 0.290 0.000 1.389 428 R HN 0.113 nan 8.270 nan 0.000 0.582 429 A N 1.504 124.348 122.820 0.040 0.000 2.582 429 A HA 0.372 4.630 4.320 -0.103 0.000 0.336 429 A C -1.274 176.292 177.584 -0.032 0.000 1.445 429 A CA -0.565 51.506 52.037 0.057 0.000 0.997 429 A CB -0.269 18.754 19.000 0.038 0.000 1.148 429 A HN 0.422 nan 8.150 nan 0.000 0.514 430 Y N 1.679 122.069 120.300 0.150 0.000 2.802 430 Y HA 0.202 4.690 4.550 -0.103 0.000 0.330 430 Y C 0.255 176.238 175.900 0.137 0.000 1.193 430 Y CA -0.777 57.435 58.100 0.187 0.000 1.427 430 Y CB 0.593 39.145 38.460 0.154 0.000 1.357 430 Y HN 0.642 nan 8.280 nan 0.000 0.501 431 D N 1.497 122.011 120.400 0.190 0.000 2.358 431 D HA 0.035 4.613 4.640 -0.103 0.000 0.224 431 D C -0.515 175.621 176.300 -0.274 0.000 1.123 431 D CA 0.495 54.460 54.000 -0.059 0.000 0.833 431 D CB 0.112 40.792 40.800 -0.201 0.000 0.946 431 D HN 0.354 nan 8.370 nan 0.000 0.505 432 Y N -0.017 120.383 120.300 0.166 0.000 2.576 432 Y HA 0.406 4.894 4.550 -0.103 0.000 0.346 432 Y C 0.616 176.569 175.900 0.088 0.000 1.018 432 Y CA -1.045 57.131 58.100 0.126 0.000 1.050 432 Y CB 1.951 40.497 38.460 0.143 0.000 1.280 432 Y HN -0.289 nan 8.280 nan 0.000 0.474 433 T N -0.908 113.766 114.554 0.199 0.000 2.903 433 T HA 0.680 4.968 4.350 -0.103 0.000 0.299 433 T C -1.003 173.706 174.700 0.016 0.000 1.093 433 T CA -0.768 61.389 62.100 0.095 0.000 1.002 433 T CB 1.414 70.323 68.868 0.068 0.000 1.127 433 T HN 0.469 nan 8.240 nan 0.000 0.488 434 I N 2.618 123.190 120.570 0.004 0.000 2.297 434 I HA 0.387 4.495 4.170 -0.103 0.000 0.291 434 I C 0.923 176.997 176.117 -0.072 0.000 1.033 434 I CA -0.706 60.589 61.300 -0.007 0.000 1.253 434 I CB 0.751 38.789 38.000 0.063 0.000 1.396 434 I HN 0.487 nan 8.210 nan 0.000 0.476 435 R N 3.609 123.981 120.500 -0.213 0.000 2.936 435 R HA 0.432 4.711 4.340 -0.103 0.000 0.218 435 R C -0.427 175.808 176.300 -0.108 0.000 1.528 435 R CA -1.111 54.700 56.100 -0.481 0.000 1.005 435 R CB 0.394 30.119 30.300 -0.958 0.000 2.099 435 R HN 0.360 nan 8.270 nan 0.000 0.527 436 E N 2.230 122.382 120.200 -0.079 0.000 2.529 436 E HA -0.081 4.207 4.350 -0.103 0.000 0.259 436 E C -0.452 176.165 176.600 0.028 0.000 0.966 436 E CA 0.754 57.175 56.400 0.035 0.000 0.937 436 E CB 0.159 29.886 29.700 0.044 0.000 0.923 436 E HN 0.300 nan 8.360 nan 0.000 0.468 437 K N 1.965 122.382 120.400 0.028 0.000 3.281 437 K HA -0.217 4.041 4.320 -0.103 0.000 0.295 437 K C 0.843 177.425 176.600 -0.030 0.000 1.233 437 K CA 0.979 57.264 56.287 -0.002 0.000 0.866 437 K CB -2.381 30.117 32.500 -0.003 0.000 1.265 437 K HN 1.071 nan 8.250 nan 0.000 0.482 438 G N -0.943 107.842 108.800 -0.025 0.000 2.168 438 G HA2 -0.351 3.547 3.960 -0.103 0.000 0.263 438 G HA3 -0.351 3.547 3.960 -0.103 0.000 0.263 438 G C 0.237 175.126 174.900 -0.019 0.000 0.977 438 G CA 0.249 45.319 45.100 -0.050 0.000 0.659 438 G HN 0.306 nan 8.290 nan 0.000 0.533 439 V N 1.511 121.436 119.914 0.019 0.000 2.521 439 V HA 0.321 4.379 4.120 -0.103 0.000 0.286 439 V C 1.159 177.317 176.094 0.108 0.000 1.034 439 V CA 0.022 62.359 62.300 0.062 0.000 1.045 439 V CB 1.217 33.113 31.823 0.122 0.000 0.974 439 V HN 0.314 nan 8.190 nan 0.000 0.480 440 I N 5.881 126.478 120.570 0.046 0.000 2.325 440 I HA 0.295 4.403 4.170 -0.103 0.000 0.291 440 I C -0.491 175.695 176.117 0.115 0.000 1.019 440 I CA -0.145 61.160 61.300 0.009 0.000 1.302 440 I CB 0.484 38.328 38.000 -0.261 0.000 1.401 440 I HN 0.480 nan 8.210 nan 0.000 0.485 441 Y N 4.896 125.189 120.300 -0.012 0.000 2.419 441 Y HA 0.279 4.767 4.550 -0.103 0.000 0.328 441 Y C 0.569 176.550 175.900 0.135 0.000 1.162 441 Y CA -0.759 57.361 58.100 0.033 0.000 1.174 441 Y CB 1.080 39.506 38.460 -0.056 0.000 1.228 441 Y HN 0.461 nan 8.280 nan 0.000 0.473 442 N N 2.261 121.077 118.700 0.193 0.000 2.439 442 N HA 0.044 4.722 4.740 -0.103 0.000 0.249 442 N C -0.135 175.358 175.510 -0.028 0.000 1.003 442 N CA -0.061 52.975 53.050 -0.023 0.000 0.942 442 N CB 0.831 39.308 38.487 -0.017 0.000 1.115 442 N HN 0.680 nan 8.380 nan 0.000 0.505 443 D N 3.045 123.382 120.400 -0.105 0.000 2.178 443 D HA -0.105 4.473 4.640 -0.103 0.000 0.201 443 D C 1.488 177.769 176.300 -0.033 0.000 0.980 443 D CA 0.900 54.884 54.000 -0.027 0.000 0.842 443 D CB 0.089 40.876 40.800 -0.021 0.000 0.948 443 D HN 0.690 nan 8.370 nan 0.000 0.472 444 A N 0.755 123.522 122.820 -0.090 0.000 1.873 444 A HA -0.134 4.124 4.320 -0.103 0.000 0.215 444 A C 2.345 179.914 177.584 -0.025 0.000 1.186 444 A CA 2.393 54.395 52.037 -0.058 0.000 0.616 444 A CB -0.795 18.155 19.000 -0.084 0.000 0.823 444 A HN 0.362 nan 8.150 nan 0.000 0.442 445 T N -4.307 110.231 114.554 -0.026 0.000 3.065 445 T HA 0.074 4.362 4.350 -0.103 0.000 0.252 445 T C 0.792 175.511 174.700 0.032 0.000 1.099 445 T CA 0.812 62.912 62.100 -0.001 0.000 1.063 445 T CB -0.290 68.572 68.868 -0.010 0.000 0.948 445 T HN 0.499 nan 8.240 nan 0.000 0.506 446 N N 1.161 119.900 118.700 0.064 0.000 2.725 446 N HA -0.157 4.521 4.740 -0.103 0.000 0.249 446 N C -1.003 174.623 175.510 0.194 0.000 1.103 446 N CA 0.632 53.773 53.050 0.152 0.000 0.707 446 N CB -1.113 37.438 38.487 0.107 0.000 1.043 446 N HN 0.585 nan 8.380 nan 0.000 0.553 447 Q N -0.120 119.718 119.800 0.063 0.000 2.365 447 Q HA 0.507 4.785 4.340 -0.103 0.000 0.269 447 Q C -2.475 173.281 176.000 -0.406 0.000 1.061 447 Q CA -1.575 54.157 55.803 -0.118 0.000 0.816 447 Q CB 1.915 30.611 28.738 -0.070 0.000 1.325 447 Q HN 0.210 nan 8.270 nan 0.000 0.446 448 P HA 0.021 nan 4.420 nan 0.000 0.271 448 P C -0.146 176.984 177.300 -0.283 0.000 1.218 448 P CA 0.049 62.648 63.100 -0.835 0.000 0.780 448 P CB 1.014 32.257 31.700 -0.761 0.000 0.901 449 T N 0.397 114.880 114.554 -0.118 0.000 2.888 449 T HA 0.147 4.435 4.350 -0.103 0.000 0.283 449 T C 1.093 175.821 174.700 0.046 0.000 1.013 449 T CA -0.440 61.696 62.100 0.061 0.000 0.938 449 T CB 0.326 69.346 68.868 0.254 0.000 1.298 449 T HN 0.343 nan 8.240 nan 0.000 0.580 450 E N -0.344 119.899 120.200 0.070 0.000 2.476 450 E HA 0.138 4.426 4.350 -0.103 0.000 0.191 450 E C -0.669 175.772 176.600 -0.265 0.000 1.064 450 E CA 0.067 56.394 56.400 -0.122 0.000 0.866 450 E CB 0.122 29.686 29.700 -0.227 0.000 0.952 450 E HN 0.372 nan 8.360 nan 0.000 0.492 451 F N 1.093 121.064 119.950 0.035 0.000 2.470 451 F HA 0.466 4.931 4.527 -0.103 0.000 0.329 451 F C 0.471 176.251 175.800 -0.032 0.000 1.072 451 F CA -0.972 57.053 58.000 0.041 0.000 0.989 451 F CB 1.246 40.288 39.000 0.069 0.000 1.193 451 F HN -0.209 nan 8.300 nan 0.000 0.481 452 R N -0.091 120.527 120.500 0.197 0.000 2.692 452 R HA 0.835 5.113 4.340 -0.103 0.000 0.269 452 R C -2.037 174.348 176.300 0.143 0.000 1.030 452 R CA -1.217 54.934 56.100 0.085 0.000 0.882 452 R CB 1.533 31.831 30.300 -0.002 0.000 1.250 452 R HN 0.478 nan 8.270 nan 0.000 0.465 453 V N -1.526 118.417 119.914 0.048 0.000 2.815 453 V HA 0.589 4.647 4.120 -0.103 0.000 0.314 453 V C -0.452 175.612 176.094 -0.051 0.000 1.064 453 V CA -0.874 61.465 62.300 0.065 0.000 0.952 453 V CB 1.652 33.454 31.823 -0.035 0.000 1.020 453 V HN 0.964 nan 8.190 nan 0.000 0.439 454 D N 2.415 122.824 120.400 0.014 0.000 2.496 454 D HA 0.372 4.951 4.640 -0.103 0.000 0.283 454 D C 1.326 177.518 176.300 -0.180 0.000 1.214 454 D CA 0.085 54.034 54.000 -0.086 0.000 1.089 454 D CB 0.436 41.257 40.800 0.034 0.000 1.141 454 D HN 0.734 nan 8.370 nan 0.000 0.580 455 G N -1.428 107.304 108.800 -0.114 0.000 2.776 455 G HA2 -0.111 3.787 3.960 -0.103 0.000 0.209 455 G HA3 -0.111 3.787 3.960 -0.103 0.000 0.209 455 G C 0.746 175.616 174.900 -0.050 0.000 1.145 455 G CA 0.193 45.224 45.100 -0.114 0.000 0.791 455 G HN 0.352 nan 8.290 nan 0.000 0.530 456 E N -0.623 119.579 120.200 0.004 0.000 2.526 456 E HA 0.143 4.431 4.350 -0.103 0.000 0.208 456 E C -0.190 176.570 176.600 0.268 0.000 0.997 456 E CA -0.783 55.706 56.400 0.147 0.000 0.961 456 E CB 0.212 29.995 29.700 0.138 0.000 1.030 456 E HN 0.442 nan 8.360 nan 0.000 0.483 457 Y N -0.115 120.253 120.300 0.114 0.000 4.272 457 Y HA -0.259 4.229 4.550 -0.103 0.000 0.232 457 Y C 0.028 175.930 175.900 0.004 0.000 1.149 457 Y CA 0.275 58.409 58.100 0.057 0.000 1.961 457 Y CB -2.099 36.405 38.460 0.073 0.000 1.611 457 Y HN 0.049 nan 8.280 nan 0.000 0.682 458 N N 0.937 119.709 118.700 0.120 0.000 2.498 458 N HA 0.345 5.023 4.740 -0.103 0.000 0.287 458 N C -0.044 175.497 175.510 0.053 0.000 1.097 458 N CA -0.549 52.521 53.050 0.034 0.000 0.973 458 N CB 1.020 39.512 38.487 0.009 0.000 1.153 458 N HN -0.001 nan 8.380 nan 0.000 0.472 459 L N 2.366 123.580 121.223 -0.015 0.000 2.397 459 L HA 0.267 4.545 4.340 -0.103 0.000 0.271 459 L C -0.429 176.411 176.870 -0.051 0.000 1.148 459 L CA 0.158 55.047 54.840 0.082 0.000 0.825 459 L CB -0.470 41.676 42.059 0.146 0.000 1.117 459 L HN 0.448 nan 8.230 nan 0.000 0.456 460 Y N 1.283 121.664 120.300 0.134 0.000 2.406 460 Y HA 0.377 4.865 4.550 -0.103 0.000 0.340 460 Y C 0.156 176.097 175.900 0.068 0.000 0.975 460 Y CA -0.663 57.486 58.100 0.081 0.000 1.056 460 Y CB 1.759 40.231 38.460 0.020 0.000 1.210 460 Y HN 0.484 nan 8.280 nan 0.000 0.448 461 Q N 3.690 123.553 119.800 0.105 0.000 2.357 461 Q HA 0.236 4.514 4.340 -0.103 0.000 0.266 461 Q C -0.413 175.562 176.000 -0.042 0.000 1.021 461 Q CA -0.406 55.278 55.803 -0.198 0.000 0.784 461 Q CB 0.507 29.091 28.738 -0.257 0.000 1.243 461 Q HN 0.910 nan 8.270 nan 0.000 0.465 462 H N 4.479 123.432 119.070 -0.196 0.000 2.677 462 H HA -0.200 4.295 4.556 -0.103 0.000 0.321 462 H C -0.707 174.602 175.328 -0.033 0.000 1.171 462 H CA 1.306 57.285 56.048 -0.115 0.000 1.139 462 H CB -0.579 29.109 29.762 -0.123 0.000 1.515 462 H HN 1.092 nan 8.280 nan 0.000 0.423 463 D N -0.925 119.454 120.400 -0.036 0.000 3.059 463 D HA -0.154 4.424 4.640 -0.103 0.000 0.213 463 D C -0.046 176.365 176.300 0.185 0.000 1.144 463 D CA 1.571 55.584 54.000 0.022 0.000 0.975 463 D CB -1.103 39.637 40.800 -0.100 0.000 1.125 463 D HN 0.507 nan 8.370 nan 0.000 0.412 464 T N 1.141 115.809 114.554 0.190 0.000 2.795 464 T HA 0.228 4.516 4.350 -0.103 0.000 0.282 464 T C 0.268 175.021 174.700 0.089 0.000 0.980 464 T CA -0.642 61.547 62.100 0.149 0.000 1.012 464 T CB 1.737 70.655 68.868 0.083 0.000 0.936 464 T HN -0.021 nan 8.240 nan 0.000 0.457 465 N N 2.788 121.459 118.700 -0.048 0.000 2.452 465 N HA 0.124 4.802 4.740 -0.103 0.000 0.266 465 N C -0.675 174.710 175.510 -0.210 0.000 1.175 465 N CA -0.320 52.469 53.050 -0.435 0.000 0.945 465 N CB 0.173 38.431 38.487 -0.382 0.000 1.063 465 N HN 0.335 nan 8.380 nan 0.000 0.472 466 L N 2.208 123.311 121.223 -0.199 0.000 2.418 466 L HA 0.407 4.685 4.340 -0.103 0.000 0.265 466 L C 0.981 177.817 176.870 -0.057 0.000 1.143 466 L CA 0.067 54.872 54.840 -0.058 0.000 0.809 466 L CB 1.123 43.199 42.059 0.029 0.000 1.124 466 L HN 0.695 nan 8.230 nan 0.000 0.456 467 T N -0.977 113.567 114.554 -0.016 0.000 2.864 467 T HA 0.826 5.114 4.350 -0.103 0.000 0.299 467 T C -0.562 174.147 174.700 0.015 0.000 1.166 467 T CA -0.806 61.297 62.100 0.005 0.000 1.007 467 T CB 1.459 70.326 68.868 -0.001 0.000 1.219 467 T HN 0.833 nan 8.240 nan 0.000 0.506 468 C N -0.283 119.038 119.300 0.036 0.000 3.291 468 C HA 0.854 5.252 4.460 -0.103 0.000 0.316 468 C C -0.949 174.041 174.990 -0.001 0.000 1.391 468 C CA -1.281 57.750 59.018 0.021 0.000 1.394 468 C CB 1.153 28.928 27.740 0.057 0.000 1.744 468 C HN 0.965 nan 8.230 nan 0.000 0.461 469 K N 1.430 121.801 120.400 -0.048 0.000 2.249 469 K HA 0.297 4.555 4.320 -0.103 0.000 0.280 469 K C -0.119 176.401 176.600 -0.133 0.000 1.033 469 K CA 0.376 56.594 56.287 -0.116 0.000 0.946 469 K CB 0.963 33.345 32.500 -0.197 0.000 1.005 469 K HN 0.892 nan 8.250 nan 0.000 0.469 470 Q N 2.289 122.010 119.800 -0.133 0.000 2.327 470 Q HA 0.107 4.385 4.340 -0.103 0.000 0.254 470 Q C -0.997 174.855 176.000 -0.246 0.000 0.952 470 Q CA -0.206 55.523 55.803 -0.123 0.000 0.884 470 Q CB 0.504 29.191 28.738 -0.086 0.000 1.224 470 Q HN 0.340 nan 8.270 nan 0.000 0.422 471 Y N 1.579 121.608 120.300 -0.452 0.000 2.376 471 Y HA 0.274 4.762 4.550 -0.103 0.000 0.325 471 Y C 0.038 175.673 175.900 -0.441 0.000 1.199 471 Y CA -0.389 57.347 58.100 -0.606 0.000 1.206 471 Y CB 1.463 39.146 38.460 -1.295 0.000 1.229 471 Y HN 0.690 nan 8.280 nan 0.000 0.480 472 D N 0.446 120.761 120.400 -0.143 0.000 2.423 472 D HA 0.396 4.974 4.640 -0.103 0.000 0.235 472 D C -1.783 174.552 176.300 0.058 0.000 1.011 472 D CA -0.565 53.363 54.000 -0.120 0.000 0.963 472 D CB 1.175 41.865 40.800 -0.185 0.000 1.349 472 D HN 0.350 nan 8.370 nan 0.000 0.508 473 Y N -0.179 120.146 120.300 0.043 0.000 2.396 473 Y HA 0.638 5.125 4.550 -0.104 0.000 0.332 473 Y C -0.858 175.042 175.900 0.001 0.000 1.034 473 Y CA -1.001 57.132 58.100 0.056 0.000 1.057 473 Y CB 1.068 39.640 38.460 0.187 0.000 1.220 473 Y HN 0.073 nan 8.280 nan 0.000 0.440 474 N N 2.510 121.193 118.700 -0.028 0.000 2.277 474 N HA 0.401 5.079 4.740 -0.103 0.000 0.286 474 N C -1.849 173.552 175.510 -0.181 0.000 1.140 474 N CA -0.701 52.303 53.050 -0.075 0.000 0.799 474 N CB 2.421 40.876 38.487 -0.054 0.000 1.596 474 N HN 0.484 nan 8.380 nan 0.000 0.473 475 F N 0.728 120.605 119.950 -0.122 0.000 2.396 475 F HA 0.218 4.683 4.527 -0.103 0.000 0.343 475 F C 1.263 177.006 175.800 -0.096 0.000 1.104 475 F CA -0.028 57.884 58.000 -0.148 0.000 1.161 475 F CB 1.195 40.051 39.000 -0.240 0.000 1.146 475 F HN 0.227 nan 8.300 nan 0.000 0.522 476 S N 3.140 118.897 115.700 0.096 0.000 2.406 476 S HA 0.571 4.979 4.470 -0.103 0.000 0.224 476 S C 0.298 174.939 174.600 0.068 0.000 1.426 476 S CA 0.209 58.438 58.200 0.049 0.000 1.179 476 S CB -0.457 62.748 63.200 0.008 0.000 1.042 476 S HN 1.201 nan 8.310 nan 0.000 0.479 477 G N 4.925 113.762 108.800 0.062 0.000 2.523 477 G HA2 -0.296 3.602 3.960 -0.103 0.000 0.271 477 G HA3 -0.296 3.602 3.960 -0.103 0.000 0.271 477 G C 0.459 175.402 174.900 0.072 0.000 1.146 477 G CA 0.278 45.400 45.100 0.035 0.000 0.961 477 G HN 0.592 nan 8.290 nan 0.000 0.549 478 N N 2.380 121.122 118.700 0.071 0.000 2.336 478 N HA 0.081 4.759 4.740 -0.103 0.000 0.189 478 N C 0.249 175.894 175.510 0.226 0.000 1.113 478 N CA 0.325 53.437 53.050 0.103 0.000 0.858 478 N CB -0.097 38.414 38.487 0.041 0.000 0.970 478 N HN 0.504 nan 8.380 nan 0.000 0.471 479 N N 1.107 119.905 118.700 0.164 0.000 2.455 479 N HA 0.131 4.809 4.740 -0.103 0.000 0.280 479 N C -0.603 174.847 175.510 -0.100 0.000 1.055 479 N CA -0.253 52.831 53.050 0.056 0.000 0.961 479 N CB 2.144 40.638 38.487 0.012 0.000 1.121 479 N HN 0.072 nan 8.380 nan 0.000 0.476 480 L N 4.014 125.052 121.223 -0.308 0.000 2.261 480 L HA 0.323 4.601 4.340 -0.103 0.000 0.289 480 L C -0.668 176.044 176.870 -0.263 0.000 1.059 480 L CA -0.540 53.913 54.840 -0.645 0.000 0.816 480 L CB 0.362 42.017 42.059 -0.674 0.000 1.191 480 L HN 0.338 nan 8.230 nan 0.000 0.431 481 I N 4.850 125.299 120.570 -0.201 0.000 2.312 481 I HA 0.242 4.350 4.170 -0.103 0.000 0.291 481 I C 0.169 176.293 176.117 0.012 0.000 1.031 481 I CA -0.229 61.030 61.300 -0.068 0.000 1.293 481 I CB 1.167 39.135 38.000 -0.054 0.000 1.403 481 I HN 0.575 nan 8.210 nan 0.000 0.484 482 E N 5.042 125.290 120.200 0.079 0.000 2.073 482 E HA 0.375 4.663 4.350 -0.103 0.000 0.269 482 E C -0.546 176.184 176.600 0.217 0.000 0.917 482 E CA -0.366 56.156 56.400 0.202 0.000 0.757 482 E CB 1.274 31.129 29.700 0.259 0.000 1.111 482 E HN 0.649 nan 8.360 nan 0.000 0.410 483 S N 2.546 118.312 115.700 0.111 0.000 2.542 483 S HA 0.446 4.854 4.470 -0.103 0.000 0.293 483 S C -0.190 174.197 174.600 -0.354 0.000 1.089 483 S CA -1.219 56.948 58.200 -0.055 0.000 0.961 483 S CB 1.763 64.916 63.200 -0.078 0.000 1.062 483 S HN 0.211 nan 8.310 nan 0.000 0.483 484 K N 1.731 121.736 120.400 -0.658 0.000 2.355 484 K HA 0.305 4.563 4.320 -0.103 0.000 0.270 484 K C 0.863 177.214 176.600 -0.414 0.000 1.003 484 K CA 0.005 55.798 56.287 -0.823 0.000 0.957 484 K CB 0.577 32.639 32.500 -0.729 0.000 0.939 484 K HN 0.890 nan 8.250 nan 0.000 0.482 485 T N -2.664 111.681 114.554 -0.349 0.000 2.849 485 T HA 0.117 4.405 4.350 -0.103 0.000 0.272 485 T C 0.754 175.347 174.700 -0.178 0.000 1.046 485 T CA -0.449 61.521 62.100 -0.216 0.000 0.983 485 T CB 0.697 69.459 68.868 -0.177 0.000 1.721 485 T HN 0.694 nan 8.240 nan 0.000 0.594 486 D N -0.486 119.837 120.400 -0.128 0.000 2.395 486 D HA 0.089 4.667 4.640 -0.103 0.000 0.213 486 D C -0.014 176.237 176.300 -0.082 0.000 1.110 486 D CA -0.200 53.740 54.000 -0.100 0.000 0.835 486 D CB -0.009 40.744 40.800 -0.078 0.000 0.965 486 D HN 0.279 nan 8.370 nan 0.000 0.505 487 V N 2.076 121.937 119.914 -0.088 0.000 2.470 487 V HA 0.084 4.142 4.120 -0.103 0.000 0.276 487 V C 0.290 176.351 176.094 -0.054 0.000 1.040 487 V CA -0.209 62.053 62.300 -0.063 0.000 1.008 487 V CB 1.173 32.960 31.823 -0.060 0.000 0.990 487 V HN 0.081 nan 8.190 nan 0.000 0.477 488 D N 3.763 124.144 120.400 -0.032 0.000 2.225 488 D HA 0.488 5.066 4.640 -0.103 0.000 0.248 488 D C -0.152 176.154 176.300 0.010 0.000 1.096 488 D CA 0.103 54.093 54.000 -0.016 0.000 0.863 488 D CB 2.272 43.065 40.800 -0.013 0.000 1.156 488 D HN 0.475 nan 8.370 nan 0.000 0.450 489 V N -0.118 119.817 119.914 0.035 0.000 3.040 489 V HA 0.464 4.523 4.120 -0.103 0.000 0.312 489 V C -0.137 176.021 176.094 0.107 0.000 1.115 489 V CA -1.255 61.093 62.300 0.081 0.000 0.998 489 V CB 1.696 33.587 31.823 0.113 0.000 1.042 489 V HN 0.349 nan 8.190 nan 0.000 0.433 490 N N 2.182 120.953 118.700 0.118 0.000 2.483 490 N HA 0.275 4.953 4.740 -0.103 0.000 0.264 490 N C -0.154 175.433 175.510 0.128 0.000 1.197 490 N CA -0.105 52.986 53.050 0.070 0.000 0.927 490 N CB 0.698 39.203 38.487 0.030 0.000 1.065 490 N HN 0.870 nan 8.380 nan 0.000 0.461 491 M N 3.106 122.733 119.600 0.044 0.000 2.251 491 M HA 0.021 4.439 4.480 -0.103 0.000 0.346 491 M C -0.562 175.653 176.300 -0.142 0.000 1.499 491 M CA 0.130 55.449 55.300 0.032 0.000 1.128 491 M CB 0.108 32.713 32.600 0.009 0.000 1.809 491 M HN 0.529 nan 8.290 nan 0.000 0.464 492 N N 4.698 123.104 118.700 -0.490 0.000 2.417 492 N HA 0.250 4.928 4.740 -0.103 0.000 0.300 492 N C 0.862 176.058 175.510 -0.523 0.000 1.102 492 N CA -0.413 52.256 53.050 -0.634 0.000 0.886 492 N CB 1.227 39.025 38.487 -1.149 0.000 1.203 492 N HN 0.901 nan 8.380 nan 0.000 0.496 493 I N -0.603 119.731 120.570 -0.393 0.000 2.800 493 I HA -0.090 4.018 4.170 -0.103 0.000 0.266 493 I C 0.259 176.026 176.117 -0.584 0.000 1.249 493 I CA 1.204 62.229 61.300 -0.458 0.000 1.458 493 I CB -0.321 37.352 38.000 -0.544 0.000 1.093 493 I HN 0.228 nan 8.210 nan 0.000 0.466 494 F N 0.002 119.760 119.950 -0.319 0.000 2.727 494 F HA 0.302 4.767 4.527 -0.103 0.000 0.302 494 F C 0.442 176.143 175.800 -0.165 0.000 1.097 494 F CA -0.579 57.237 58.000 -0.307 0.000 1.330 494 F CB -0.296 38.417 39.000 -0.478 0.000 1.084 494 F HN -0.059 nan 8.300 nan 0.000 0.578 495 Y N 1.293 121.514 120.300 -0.131 0.000 2.335 495 Y HA 0.207 4.695 4.550 -0.103 0.000 0.323 495 Y C 1.710 177.543 175.900 -0.111 0.000 1.224 495 Y CA -2.093 55.929 58.100 -0.131 0.000 1.241 495 Y CB 0.761 39.176 38.460 -0.074 0.000 1.235 495 Y HN 0.069 nan 8.280 nan 0.000 0.492 496 K N -0.119 120.305 120.400 0.042 0.000 2.211 496 K HA -0.083 4.175 4.320 -0.103 0.000 0.203 496 K C 0.065 176.647 176.600 -0.030 0.000 1.050 496 K CA 1.872 58.141 56.287 -0.031 0.000 0.945 496 K CB -0.158 32.286 32.500 -0.092 0.000 0.732 496 K HN 0.594 nan 8.250 nan 0.000 0.451 497 N N 1.080 119.788 118.700 0.013 0.000 2.295 497 N HA 0.019 4.698 4.740 -0.103 0.000 0.221 497 N C -0.738 174.717 175.510 -0.091 0.000 1.129 497 N CA -0.433 52.603 53.050 -0.024 0.000 0.836 497 N CB 0.803 39.320 38.487 0.050 0.000 1.040 497 N HN 0.113 nan 8.380 nan 0.000 0.494 498 S N 0.381 116.028 115.700 -0.087 0.000 2.584 498 S HA 0.094 4.503 4.470 -0.103 0.000 0.273 498 S C 1.613 175.997 174.600 -0.360 0.000 1.311 498 S CA -0.790 57.319 58.200 -0.151 0.000 1.034 498 S CB 1.053 64.194 63.200 -0.098 0.000 0.939 498 S HN 0.165 nan 8.310 nan 0.000 0.513 499 V N 2.513 122.144 119.914 -0.471 0.000 2.809 499 V HA 0.323 4.381 4.120 -0.103 0.000 0.256 499 V C 0.023 175.665 176.094 -0.754 0.000 1.080 499 V CA 0.872 62.608 62.300 -0.939 0.000 1.102 499 V CB -0.906 30.439 31.823 -0.796 0.000 0.705 499 V HN 0.647 nan 8.190 nan 0.000 0.475 500 F N 1.283 121.050 119.950 -0.304 0.000 2.499 500 F HA 0.655 5.120 4.527 -0.103 0.000 0.333 500 F C 0.120 175.810 175.800 -0.183 0.000 1.138 500 F CA -1.155 56.723 58.000 -0.203 0.000 0.945 500 F CB 1.897 40.785 39.000 -0.188 0.000 1.181 500 F HN -0.069 nan 8.300 nan 0.000 0.435 501 K N 2.768 123.195 120.400 0.046 0.000 2.221 501 K HA 0.809 5.067 4.320 -0.103 0.000 0.258 501 K C -0.301 176.367 176.600 0.113 0.000 0.944 501 K CA -0.918 55.375 56.287 0.010 0.000 0.823 501 K CB 2.080 34.573 32.500 -0.012 0.000 1.113 501 K HN 0.612 nan 8.250 nan 0.000 0.431 502 A N 2.404 125.220 122.820 -0.006 0.000 2.366 502 A HA 0.201 4.459 4.320 -0.103 0.000 0.249 502 A C -0.472 177.313 177.584 0.336 0.000 1.084 502 A CA -0.339 51.732 52.037 0.056 0.000 0.794 502 A CB 0.051 18.867 19.000 -0.306 0.000 1.034 502 A HN 0.695 nan 8.150 nan 0.000 0.491 503 F N 2.956 123.009 119.950 0.171 0.000 2.578 503 F HA 0.301 4.766 4.527 -0.103 0.000 0.376 503 F C -1.305 174.590 175.800 0.158 0.000 1.085 503 F CA -1.815 56.172 58.000 -0.022 0.000 1.260 503 F CB 0.776 39.600 39.000 -0.293 0.000 1.095 503 F HN 0.346 nan 8.300 nan 0.000 0.573 504 P HA -0.013 nan 4.420 nan 0.000 0.249 504 P C -0.178 176.896 177.300 -0.377 0.000 1.686 504 P CA 0.276 63.172 63.100 -0.340 0.000 0.873 504 P CB -0.204 31.311 31.700 -0.307 0.000 1.828 505 T N 0.124 114.519 114.554 -0.265 0.000 2.870 505 T HA 0.294 4.582 4.350 -0.103 0.000 0.277 505 T C -0.077 174.477 174.700 -0.244 0.000 1.000 505 T CA -0.863 61.109 62.100 -0.213 0.000 0.982 505 T CB 1.021 69.830 68.868 -0.099 0.000 1.249 505 T HN 0.144 nan 8.240 nan 0.000 0.589 506 N N 0.532 119.078 118.700 -0.258 0.000 2.495 506 N HA 0.277 4.955 4.740 -0.103 0.000 0.280 506 N C -1.466 173.773 175.510 -0.452 0.000 1.168 506 N CA -0.240 52.675 53.050 -0.224 0.000 0.978 506 N CB 0.971 39.387 38.487 -0.118 0.000 1.191 506 N HN 0.551 nan 8.380 nan 0.000 0.497 507 Y N -0.505 119.755 120.300 -0.066 0.000 2.630 507 Y HA 0.522 5.010 4.550 -0.103 0.000 0.337 507 Y C -0.164 175.705 175.900 -0.051 0.000 1.051 507 Y CA -0.976 57.102 58.100 -0.036 0.000 1.121 507 Y CB 1.833 40.266 38.460 -0.046 0.000 1.299 507 Y HN 0.277 nan 8.280 nan 0.000 0.498 508 L N 2.019 123.316 121.223 0.123 0.000 2.305 508 L HA 0.814 5.092 4.340 -0.103 0.000 0.284 508 L C -0.408 176.531 176.870 0.114 0.000 1.013 508 L CA -0.717 54.169 54.840 0.076 0.000 0.819 508 L CB 1.269 43.333 42.059 0.007 0.000 1.227 508 L HN 0.724 nan 8.230 nan 0.000 0.417 509 A N 4.516 127.421 122.820 0.142 0.000 2.354 509 A HA 1.028 5.287 4.320 -0.103 0.000 0.321 509 A C -0.631 177.009 177.584 0.093 0.000 1.125 509 A CA -0.543 51.576 52.037 0.138 0.000 0.799 509 A CB 2.010 21.128 19.000 0.197 0.000 1.293 509 A HN 0.744 nan 8.150 nan 0.000 0.452 510 M N 0.059 119.677 119.600 0.030 0.000 2.603 510 M HA 0.747 5.165 4.480 -0.103 0.000 0.275 510 M C -1.448 174.828 176.300 -0.040 0.000 1.226 510 M CA -0.195 55.035 55.300 -0.115 0.000 0.870 510 M CB 1.672 34.106 32.600 -0.277 0.000 1.716 510 M HN 0.576 nan 8.290 nan 0.000 0.482 511 R N 1.151 121.615 120.500 -0.061 0.000 2.698 511 R HA 0.726 5.004 4.340 -0.103 0.000 0.275 511 R C -1.886 174.591 176.300 0.294 0.000 1.001 511 R CA -0.857 55.285 56.100 0.069 0.000 0.896 511 R CB 2.392 32.675 30.300 -0.029 0.000 1.218 511 R HN 0.889 nan 8.270 nan 0.000 0.462 512 Y N -1.376 119.064 120.300 0.233 0.000 2.587 512 Y HA 0.795 5.283 4.550 -0.103 0.000 0.337 512 Y C -0.597 175.205 175.900 -0.163 0.000 1.065 512 Y CA -1.199 56.901 58.100 -0.000 0.000 1.126 512 Y CB 2.025 40.367 38.460 -0.195 0.000 1.279 512 Y HN 0.436 nan 8.280 nan 0.000 0.489 513 S N 0.564 116.109 115.700 -0.258 0.000 2.575 513 S HA 0.359 4.768 4.470 -0.103 0.000 0.278 513 S C -1.073 173.347 174.600 -0.300 0.000 1.139 513 S CA -0.675 57.186 58.200 -0.565 0.000 0.954 513 S CB 1.075 63.390 63.200 -1.475 0.000 1.054 513 S HN 0.795 nan 8.310 nan 0.000 0.483 514 D N 2.321 122.611 120.400 -0.183 0.000 2.398 514 D HA 0.147 4.725 4.640 -0.103 0.000 0.210 514 D C -0.129 176.089 176.300 -0.137 0.000 1.094 514 D CA 0.308 54.234 54.000 -0.122 0.000 0.839 514 D CB 0.506 41.282 40.800 -0.040 0.000 0.963 514 D HN 0.746 nan 8.370 nan 0.000 0.506 515 D N -0.385 119.894 120.400 -0.201 0.000 2.720 515 D HA 0.049 4.627 4.640 -0.103 0.000 0.285 515 D C -0.174 176.032 176.300 -0.156 0.000 1.359 515 D CA -0.349 53.561 54.000 -0.151 0.000 0.818 515 D CB -0.401 40.322 40.800 -0.128 0.000 1.108 515 D HN -0.104 nan 8.370 nan 0.000 0.474 516 E N -0.233 119.861 120.200 -0.177 0.000 2.476 516 E HA -0.200 4.088 4.350 -0.103 0.000 0.251 516 E C 0.963 177.536 176.600 -0.046 0.000 1.130 516 E CA 0.478 56.832 56.400 -0.077 0.000 0.736 516 E CB -1.664 28.049 29.700 0.022 0.000 1.298 516 E HN 0.702 nan 8.360 nan 0.000 0.400 517 G N -1.487 107.052 108.800 -0.435 0.000 2.175 517 G HA2 -0.344 3.555 3.960 -0.103 0.000 0.244 517 G HA3 -0.344 3.555 3.960 -0.103 0.000 0.244 517 G C 0.955 175.753 174.900 -0.170 0.000 0.982 517 G CA 0.581 45.422 45.100 -0.431 0.000 0.641 517 G HN 0.816 nan 8.290 nan 0.000 0.527 518 A N -0.323 122.402 122.820 -0.159 0.000 1.969 518 A HA 0.513 4.771 4.320 -0.103 0.000 0.218 518 A C 1.587 179.121 177.584 -0.084 0.000 1.169 518 A CA 2.400 54.402 52.037 -0.059 0.000 0.635 518 A CB -0.229 18.740 19.000 -0.053 0.000 0.810 518 A HN 2.177 nan 8.150 nan 0.000 0.445 519 S N -3.318 112.237 115.700 -0.241 0.000 2.537 519 S HA 0.608 5.016 4.470 -0.103 0.000 0.270 519 S C -1.410 172.953 174.600 -0.396 0.000 1.142 519 S CA -0.871 57.225 58.200 -0.173 0.000 0.870 519 S CB 0.641 63.778 63.200 -0.106 0.000 1.112 519 S HN 0.362 nan 8.310 nan 0.000 0.466 520 W N 1.455 122.647 121.300 -0.180 0.000 2.864 520 W HA 0.688 5.285 4.660 -0.104 0.000 0.343 520 W C 0.634 176.971 176.519 -0.304 0.000 1.109 520 W CA -0.471 56.717 57.345 -0.260 0.000 1.192 520 W CB 1.948 31.254 29.460 -0.256 0.000 1.426 520 W HN 0.948 nan 8.180 nan 0.000 0.529 521 S N 0.335 115.883 115.700 -0.253 0.000 2.617 521 S HA 0.226 4.635 4.470 -0.103 0.000 0.259 521 S C -0.013 174.508 174.600 -0.131 0.000 1.301 521 S CA -0.616 57.355 58.200 -0.381 0.000 0.984 521 S CB 0.527 63.140 63.200 -0.979 0.000 0.954 521 S HN 0.403 nan 8.310 nan 0.000 0.572 522 D N 0.088 120.442 120.400 -0.078 0.000 2.362 522 D HA 0.173 4.751 4.640 -0.103 0.000 0.238 522 D C -0.041 176.291 176.300 0.053 0.000 1.212 522 D CA -0.286 53.717 54.000 0.005 0.000 0.902 522 D CB -0.015 40.797 40.800 0.021 0.000 1.180 522 D HN 0.441 nan 8.370 nan 0.000 0.445 523 L N 1.846 123.135 121.223 0.111 0.000 2.500 523 L HA 0.085 4.363 4.340 -0.103 0.000 0.272 523 L C -0.289 176.750 176.870 0.281 0.000 1.149 523 L CA 0.309 55.263 54.840 0.190 0.000 0.897 523 L CB 0.004 42.247 42.059 0.308 0.000 1.178 523 L HN 0.177 nan 8.230 nan 0.000 0.473 524 D N 5.615 126.152 120.400 0.229 0.000 2.441 524 D HA 0.253 4.831 4.640 -0.103 0.000 0.231 524 D C -0.409 176.031 176.300 0.232 0.000 1.073 524 D CA -0.216 53.943 54.000 0.264 0.000 0.850 524 D CB 0.509 41.471 40.800 0.269 0.000 1.062 524 D HN 0.434 nan 8.370 nan 0.000 0.524 525 I N 4.727 125.454 120.570 0.261 0.000 2.294 525 I HA 0.021 4.129 4.170 -0.103 0.000 0.295 525 I C 1.652 177.871 176.117 0.171 0.000 1.098 525 I CA -0.506 60.917 61.300 0.204 0.000 1.277 525 I CB 1.322 39.434 38.000 0.186 0.000 1.434 525 I HN 0.337 nan 8.210 nan 0.000 0.498 526 V N 1.934 121.884 119.914 0.060 0.000 3.623 526 V HA -0.001 4.057 4.120 -0.103 0.000 0.271 526 V C 1.499 177.267 176.094 -0.543 0.000 1.248 526 V CA 0.657 62.911 62.300 -0.077 0.000 1.156 526 V CB -0.249 31.556 31.823 -0.030 0.000 0.870 526 V HN 0.800 nan 8.190 nan 0.000 0.453 527 S N 0.882 116.292 115.700 -0.485 0.000 2.859 527 S HA 0.066 4.474 4.470 -0.103 0.000 0.245 527 S C 1.618 175.637 174.600 -0.967 0.000 1.008 527 S CA 0.321 57.992 58.200 -0.883 0.000 1.089 527 S CB -0.626 62.374 63.200 -0.333 0.000 0.798 527 S HN 0.887 nan 8.310 nan 0.000 0.477 528 S N 1.499 116.510 115.700 -1.147 0.000 2.474 528 S HA -0.077 4.331 4.470 -0.103 0.000 0.235 528 S C 1.262 175.430 174.600 -0.720 0.000 0.997 528 S CA 0.218 57.528 58.200 -1.484 0.000 0.949 528 S CB -1.018 61.571 63.200 -1.020 0.000 0.766 528 S HN 0.781 nan 8.310 nan 0.000 0.517 529 F N 1.045 120.796 119.950 -0.332 0.000 2.797 529 F HA 0.471 4.936 4.527 -0.103 0.000 0.302 529 F C 0.565 176.216 175.800 -0.247 0.000 1.130 529 F CA -1.506 56.374 58.000 -0.201 0.000 1.387 529 F CB -0.786 38.169 39.000 -0.075 0.000 1.107 529 F HN -0.014 nan 8.300 nan 0.000 0.577 530 K N 3.643 123.985 120.400 -0.097 0.000 2.430 530 K HA 0.097 4.355 4.320 -0.103 0.000 0.280 530 K C -2.390 174.166 176.600 -0.073 0.000 1.063 530 K CA -1.594 54.628 56.287 -0.109 0.000 1.071 530 K CB 0.151 32.557 32.500 -0.158 0.000 0.899 530 K HN 0.006 nan 8.250 nan 0.000 0.473 531 P HA -0.070 nan 4.420 nan 0.000 0.262 531 P C -0.473 176.810 177.300 -0.028 0.000 1.182 531 P CA 0.343 63.432 63.100 -0.019 0.000 0.761 531 P CB 0.599 32.301 31.700 0.005 0.000 0.795 532 E N 1.537 121.727 120.200 -0.016 0.000 2.333 532 E HA -0.107 4.181 4.350 -0.103 0.000 0.198 532 E C 1.347 177.935 176.600 -0.019 0.000 1.007 532 E CA 0.554 56.939 56.400 -0.025 0.000 0.845 532 E CB -0.087 29.598 29.700 -0.026 0.000 0.766 532 E HN 0.192 nan 8.360 nan 0.000 0.507 533 V N 0.923 120.828 119.914 -0.015 0.000 3.647 533 V HA 0.006 4.064 4.120 -0.103 0.000 0.279 533 V C 0.373 176.446 176.094 -0.034 0.000 1.314 533 V CA 0.247 62.538 62.300 -0.015 0.000 1.125 533 V CB 0.145 31.963 31.823 -0.007 0.000 0.907 533 V HN 0.173 nan 8.190 nan 0.000 0.434 534 S N -0.823 114.847 115.700 -0.051 0.000 2.586 534 S HA 0.297 4.705 4.470 -0.103 0.000 0.274 534 S C 0.858 175.402 174.600 -0.094 0.000 1.281 534 S CA -0.251 57.888 58.200 -0.102 0.000 1.035 534 S CB 1.714 64.836 63.200 -0.131 0.000 0.962 534 S HN 0.411 nan 8.310 nan 0.000 0.512 535 K N 0.958 121.261 120.400 -0.160 0.000 2.044 535 K HA 0.148 4.406 4.320 -0.103 0.000 0.204 535 K C -0.180 176.410 176.600 -0.017 0.000 1.045 535 K CA 0.661 56.898 56.287 -0.084 0.000 0.951 535 K CB -0.036 32.410 32.500 -0.091 0.000 0.738 535 K HN 0.776 nan 8.250 nan 0.000 0.443 536 F N -0.407 119.497 119.950 -0.076 0.000 2.601 536 F HA 0.567 5.033 4.527 -0.103 0.000 0.309 536 F C -1.545 174.162 175.800 -0.155 0.000 1.089 536 F CA -1.743 56.181 58.000 -0.126 0.000 0.940 536 F CB 1.207 40.131 39.000 -0.127 0.000 1.273 536 F HN -0.204 nan 8.300 nan 0.000 0.450 537 L N 5.054 126.318 121.223 0.069 0.000 2.471 537 L HA 0.774 5.052 4.340 -0.103 0.000 0.263 537 L C -1.284 175.554 176.870 -0.055 0.000 0.985 537 L CA -0.637 54.177 54.840 -0.044 0.000 0.868 537 L CB 1.313 43.287 42.059 -0.141 0.000 1.203 537 L HN 0.887 nan 8.230 nan 0.000 0.429 538 V N 2.561 122.387 119.914 -0.147 0.000 3.158 538 V HA 0.864 4.922 4.120 -0.103 0.000 0.315 538 V C -0.036 175.920 176.094 -0.231 0.000 1.148 538 V CA -0.450 61.713 62.300 -0.229 0.000 1.042 538 V CB 1.689 33.289 31.823 -0.371 0.000 1.101 538 V HN 0.666 nan 8.190 nan 0.000 0.448 539 V N -0.771 119.080 119.914 -0.105 0.000 2.904 539 V HA 0.868 4.927 4.120 -0.103 0.000 0.305 539 V C 0.655 176.825 176.094 0.126 0.000 1.067 539 V CA 0.306 62.602 62.300 -0.007 0.000 1.044 539 V CB 1.010 32.847 31.823 0.022 0.000 1.050 539 V HN 1.515 nan 8.190 nan 0.000 0.475 540 G N 3.544 112.432 108.800 0.147 0.000 2.475 540 G HA2 0.556 4.454 3.960 -0.103 0.000 0.322 540 G HA3 0.556 4.454 3.960 -0.103 0.000 0.322 540 G C -2.212 172.773 174.900 0.142 0.000 1.044 540 G CA -1.310 43.904 45.100 0.189 0.000 1.047 540 G HN 0.797 nan 8.290 nan 0.000 0.436 541 P HA 0.264 nan 4.420 nan 0.000 0.267 541 P C 0.861 178.257 177.300 0.159 0.000 1.200 541 P CA 0.972 64.179 63.100 0.179 0.000 0.772 541 P CB 1.770 33.612 31.700 0.236 0.000 0.855 542 G N 2.532 111.440 108.800 0.180 0.000 2.113 542 G HA2 0.068 3.966 3.960 -0.103 0.000 0.082 542 G HA3 0.068 3.966 3.960 -0.103 0.000 0.082 542 G C -0.784 174.242 174.900 0.210 0.000 1.155 542 G CA 0.036 45.246 45.100 0.184 0.000 1.241 542 G HN 0.748 nan 8.290 nan 0.000 0.453 543 I N -0.772 119.922 120.570 0.206 0.000 3.002 543 I HA 0.899 5.007 4.170 -0.103 0.000 0.310 543 I C 0.569 176.814 176.117 0.213 0.000 1.087 543 I CA -0.609 60.831 61.300 0.234 0.000 1.017 543 I CB 1.874 40.017 38.000 0.239 0.000 1.226 543 I HN 1.042 nan 8.210 nan 0.000 0.443 544 G N 1.650 110.593 108.800 0.239 0.000 2.568 544 G HA2 0.621 4.519 3.960 -0.103 0.000 0.293 544 G HA3 0.621 4.519 3.960 -0.103 0.000 0.293 544 G C -1.297 173.738 174.900 0.226 0.000 1.347 544 G CA -0.463 44.763 45.100 0.209 0.000 1.039 544 G HN 0.779 nan 8.290 nan 0.000 0.523 545 K N -0.843 119.689 120.400 0.220 0.000 2.525 545 K HA 0.404 4.662 4.320 -0.103 0.000 0.254 545 K C -1.106 175.603 176.600 0.182 0.000 0.934 545 K CA -0.549 55.857 56.287 0.198 0.000 0.802 545 K CB 1.927 34.538 32.500 0.184 0.000 1.295 545 K HN 0.531 nan 8.250 nan 0.000 0.433 546 Q N 5.117 125.015 119.800 0.163 0.000 2.322 546 Q HA 0.443 4.721 4.340 -0.103 0.000 0.265 546 Q C -0.676 175.378 176.000 0.089 0.000 0.985 546 Q CA -0.722 55.160 55.803 0.133 0.000 0.849 546 Q CB 1.009 29.841 28.738 0.157 0.000 1.274 546 Q HN 0.727 nan 8.270 nan 0.000 0.449 547 I N 3.260 123.861 120.570 0.051 0.000 2.598 547 I HA -0.065 4.043 4.170 -0.103 0.000 0.284 547 I C 1.295 177.427 176.117 0.025 0.000 1.140 547 I CA 0.238 61.550 61.300 0.020 0.000 1.420 547 I CB 0.999 38.983 38.000 -0.026 0.000 1.387 547 I HN 0.798 nan 8.210 nan 0.000 0.553 548 S N 2.573 118.287 115.700 0.024 0.000 2.503 548 S HA 0.051 4.459 4.470 -0.103 0.000 0.217 548 S C 0.706 175.314 174.600 0.012 0.000 0.999 548 S CA 0.034 58.250 58.200 0.026 0.000 0.914 548 S CB 0.347 63.565 63.200 0.029 0.000 0.782 548 S HN 0.753 nan 8.310 nan 0.000 0.520 549 T N -0.688 113.866 114.554 -0.001 0.000 2.816 549 T HA 0.596 4.884 4.350 -0.103 0.000 0.299 549 T C -0.117 174.572 174.700 -0.019 0.000 1.230 549 T CA 0.502 62.598 62.100 -0.006 0.000 1.007 549 T CB 1.031 69.898 68.868 -0.001 0.000 1.289 549 T HN 1.385 nan 8.240 nan 0.000 0.508 550 G N 1.830 110.619 108.800 -0.019 0.000 2.660 550 G HA2 -0.114 3.784 3.960 -0.103 0.000 0.247 550 G HA3 -0.114 3.784 3.960 -0.103 0.000 0.247 550 G C 0.390 175.266 174.900 -0.040 0.000 1.328 550 G CA 0.388 45.470 45.100 -0.030 0.000 0.884 550 G HN 0.679 nan 8.290 nan 0.000 0.531 551 E N 0.244 120.412 120.200 -0.052 0.000 2.204 551 E HA -0.100 4.188 4.350 -0.103 0.000 0.195 551 E C 1.906 178.463 176.600 -0.073 0.000 0.990 551 E CA 1.595 57.960 56.400 -0.059 0.000 0.821 551 E CB -0.171 29.488 29.700 -0.068 0.000 0.750 551 E HN 0.492 nan 8.360 nan 0.000 0.477 552 N N 0.017 118.663 118.700 -0.090 0.000 2.279 552 N HA 0.183 4.861 4.740 -0.103 0.000 0.226 552 N C -0.453 175.007 175.510 -0.083 0.000 1.126 552 N CA -0.038 52.946 53.050 -0.111 0.000 0.846 552 N CB 0.877 39.264 38.487 -0.167 0.000 1.050 552 N HN -0.004 nan 8.380 nan 0.000 0.502 553 A N 0.300 123.089 122.820 -0.052 0.000 2.567 553 A HA 0.430 4.688 4.320 -0.103 0.000 0.240 553 A C 1.580 179.153 177.584 -0.018 0.000 1.053 553 A CA 0.878 52.900 52.037 -0.024 0.000 0.755 553 A CB -0.404 18.591 19.000 -0.008 0.000 0.978 553 A HN 0.496 nan 8.150 nan 0.000 0.507 554 G N 1.528 110.328 108.800 0.000 0.000 2.259 554 G HA2 -0.232 3.666 3.960 -0.103 0.000 0.217 554 G HA3 -0.232 3.666 3.960 -0.103 0.000 0.217 554 G C 0.567 175.438 174.900 -0.048 0.000 1.001 554 G CA 0.302 45.407 45.100 0.008 0.000 0.627 554 G HN 1.092 nan 8.290 nan 0.000 0.501 555 R N 0.707 121.163 120.500 -0.072 0.000 2.570 555 R HA 0.423 4.701 4.340 -0.103 0.000 0.277 555 R C -0.321 175.972 176.300 -0.012 0.000 1.039 555 R CA -0.257 55.791 56.100 -0.086 0.000 1.065 555 R CB 0.070 30.293 30.300 -0.128 0.000 0.964 555 R HN 0.088 nan 8.270 nan 0.000 0.428 556 L N 5.589 126.805 121.223 -0.011 0.000 2.307 556 L HA 0.459 4.738 4.340 -0.103 0.000 0.282 556 L C -0.712 176.303 176.870 0.241 0.000 1.051 556 L CA -0.378 54.522 54.840 0.099 0.000 0.804 556 L CB 1.473 43.541 42.059 0.016 0.000 1.197 556 L HN 0.582 nan 8.230 nan 0.000 0.431 557 L N 3.748 125.146 121.223 0.293 0.000 2.422 557 L HA 0.740 5.018 4.340 -0.103 0.000 0.264 557 L C -0.831 176.197 176.870 0.264 0.000 0.984 557 L CA -0.468 54.574 54.840 0.337 0.000 0.819 557 L CB 2.326 44.542 42.059 0.261 0.000 1.330 557 L HN 0.142 nan 8.230 nan 0.000 0.410 558 V N 2.964 123.005 119.914 0.213 0.000 2.577 558 V HA 0.521 4.579 4.120 -0.103 0.000 0.303 558 V C -2.293 173.863 176.094 0.103 0.000 1.042 558 V CA -1.455 60.842 62.300 -0.005 0.000 0.872 558 V CB 2.258 33.785 31.823 -0.493 0.000 0.998 558 V HN 0.563 nan 8.190 nan 0.000 0.423 559 P HA 0.420 nan 4.420 nan 0.000 0.275 559 P C -1.324 175.904 177.300 -0.120 0.000 1.227 559 P CA -0.194 62.858 63.100 -0.080 0.000 0.781 559 P CB 1.841 33.517 31.700 -0.040 0.000 0.906 560 L N 3.238 124.325 121.223 -0.226 0.000 2.341 560 L HA 0.620 4.898 4.340 -0.103 0.000 0.254 560 L C -0.397 176.476 176.870 0.005 0.000 1.040 560 L CA -0.975 53.824 54.840 -0.069 0.000 0.837 560 L CB 1.386 43.444 42.059 -0.002 0.000 1.425 560 L HN 0.523 nan 8.230 nan 0.000 0.414 561 Y N -1.627 118.657 120.300 -0.026 0.000 2.609 561 Y HA 0.862 5.350 4.550 -0.103 0.000 0.336 561 Y C -0.768 175.201 175.900 0.115 0.000 1.129 561 Y CA -0.942 57.163 58.100 0.008 0.000 1.040 561 Y CB 1.726 40.194 38.460 0.014 0.000 1.310 561 Y HN 0.614 nan 8.280 nan 0.000 0.460 562 S N 0.913 116.713 115.700 0.167 0.000 2.636 562 S HA 0.603 5.011 4.470 -0.103 0.000 0.268 562 S C -1.810 172.565 174.600 -0.375 0.000 1.159 562 S CA -1.206 56.891 58.200 -0.172 0.000 0.815 562 S CB 1.775 64.865 63.200 -0.184 0.000 1.130 562 S HN 0.875 nan 8.310 nan 0.000 0.471 563 K N 1.271 121.126 120.400 -0.908 0.000 2.414 563 K HA 0.774 5.032 4.320 -0.103 0.000 0.251 563 K C -0.289 176.085 176.600 -0.376 0.000 1.037 563 K CA 0.488 56.404 56.287 -0.618 0.000 0.980 563 K CB 0.199 32.191 32.500 -0.847 0.000 1.280 563 K HN 1.071 nan 8.250 nan 0.000 0.451 564 S N 0.841 116.426 115.700 -0.192 0.000 3.554 564 S HA 0.142 4.550 4.470 -0.103 0.000 0.300 564 S C 0.365 174.938 174.600 -0.045 0.000 1.181 564 S CA -0.208 57.928 58.200 -0.107 0.000 1.296 564 S CB -0.027 63.115 63.200 -0.096 0.000 1.613 564 S HN 0.148 nan 8.310 nan 0.000 0.487 565 S N 1.126 116.822 115.700 -0.007 0.000 2.447 565 S HA 0.516 4.924 4.470 -0.103 0.000 0.233 565 S C 0.753 175.365 174.600 0.019 0.000 1.006 565 S CA 0.878 59.086 58.200 0.013 0.000 0.957 565 S CB -0.616 62.603 63.200 0.033 0.000 0.773 565 S HN 1.137 nan 8.310 nan 0.000 0.507 566 A N 0.133 122.970 122.820 0.028 0.000 2.515 566 A HA 0.697 4.955 4.320 -0.103 0.000 0.296 566 A C 0.286 177.881 177.584 0.019 0.000 1.094 566 A CA -0.676 51.378 52.037 0.029 0.000 0.718 566 A CB 1.228 20.257 19.000 0.047 0.000 1.307 566 A HN 0.107 nan 8.150 nan 0.000 0.408 567 E N -0.290 119.918 120.200 0.014 0.000 2.067 567 E HA 0.125 4.413 4.350 -0.103 0.000 0.194 567 E C 0.039 176.660 176.600 0.035 0.000 0.950 567 E CA -0.097 56.322 56.400 0.032 0.000 0.872 567 E CB 0.015 29.727 29.700 0.020 0.000 0.877 567 E HN 0.539 nan 8.360 nan 0.000 0.470 568 L N 0.859 122.054 121.223 -0.047 0.000 2.426 568 L HA 0.369 4.647 4.340 -0.103 0.000 0.271 568 L C -0.037 176.696 176.870 -0.228 0.000 1.169 568 L CA 0.667 55.400 54.840 -0.179 0.000 0.836 568 L CB 1.057 42.956 42.059 -0.266 0.000 1.112 568 L HN 0.148 nan 8.230 nan 0.000 0.465 569 G N 2.987 111.549 108.800 -0.395 0.000 2.682 569 G HA2 0.689 4.588 3.960 -0.103 0.000 0.290 569 G HA3 0.689 4.588 3.960 -0.103 0.000 0.290 569 G C -1.887 172.652 174.900 -0.602 0.000 1.425 569 G CA -0.530 44.400 45.100 -0.284 0.000 0.807 569 G HN 0.440 nan 8.290 nan 0.000 0.482 570 F N -0.644 119.295 119.950 -0.019 0.000 2.645 570 F HA 0.690 5.155 4.527 -0.103 0.000 0.310 570 F C 0.109 175.957 175.800 0.080 0.000 1.102 570 F CA -0.945 57.084 58.000 0.049 0.000 0.952 570 F CB 2.568 41.631 39.000 0.104 0.000 1.326 570 F HN 0.620 nan 8.300 nan 0.000 0.456 571 M N 2.338 122.127 119.600 0.315 0.000 2.395 571 M HA 0.778 5.196 4.480 -0.103 0.000 0.307 571 M C -1.945 174.642 176.300 0.479 0.000 1.091 571 M CA -0.713 54.724 55.300 0.228 0.000 0.919 571 M CB 2.418 35.120 32.600 0.171 0.000 1.662 571 M HN 0.622 nan 8.290 nan 0.000 0.440 572 Y N -0.270 120.258 120.300 0.381 0.000 2.605 572 Y HA 0.893 5.381 4.550 -0.103 0.000 0.343 572 Y C -1.325 174.538 175.900 -0.062 0.000 1.036 572 Y CA -1.294 56.952 58.100 0.242 0.000 1.065 572 Y CB 1.633 40.144 38.460 0.085 0.000 1.288 572 Y HN 0.866 nan 8.280 nan 0.000 0.481 573 S N 0.658 116.258 115.700 -0.167 0.000 2.575 573 S HA 0.383 4.791 4.470 -0.103 0.000 0.278 573 S C -1.035 173.403 174.600 -0.270 0.000 1.139 573 S CA -0.628 57.240 58.200 -0.553 0.000 0.954 573 S CB 1.066 63.343 63.200 -1.539 0.000 1.054 573 S HN 0.782 nan 8.310 nan 0.000 0.483 574 D N 2.104 122.394 120.400 -0.183 0.000 2.369 574 D HA 0.119 4.697 4.640 -0.103 0.000 0.211 574 D C -0.008 176.113 176.300 -0.300 0.000 1.077 574 D CA 0.341 54.227 54.000 -0.189 0.000 0.842 574 D CB 0.402 41.159 40.800 -0.072 0.000 0.947 574 D HN 0.748 nan 8.370 nan 0.000 0.509 575 D N -1.028 119.197 120.400 -0.292 0.000 2.892 575 D HA 0.042 4.620 4.640 -0.103 0.000 0.291 575 D C -0.373 175.851 176.300 -0.126 0.000 1.341 575 D CA -0.827 53.051 54.000 -0.203 0.000 0.844 575 D CB -0.949 39.807 40.800 -0.074 0.000 1.093 575 D HN 0.015 nan 8.370 nan 0.000 0.480 576 H N -0.578 118.443 119.070 -0.081 0.000 2.791 576 H HA -0.090 4.404 4.556 -0.103 0.000 0.302 576 H C 1.509 176.871 175.328 0.058 0.000 1.198 576 H CA 0.978 57.029 56.048 0.004 0.000 1.145 576 H CB -1.444 28.352 29.762 0.057 0.000 1.385 576 H HN 0.595 nan 8.280 nan 0.000 0.409 577 G N -1.188 107.510 108.800 -0.169 0.000 2.194 577 G HA2 -0.327 3.571 3.960 -0.103 0.000 0.236 577 G HA3 -0.327 3.571 3.960 -0.103 0.000 0.236 577 G C 0.938 175.895 174.900 0.096 0.000 0.987 577 G CA 0.413 45.451 45.100 -0.104 0.000 0.635 577 G HN 0.479 nan 8.290 nan 0.000 0.520 578 D N 0.786 121.202 120.400 0.027 0.000 2.117 578 D HA 0.025 4.603 4.640 -0.103 0.000 0.197 578 D C 1.058 177.417 176.300 0.097 0.000 0.987 578 D CA 1.134 55.197 54.000 0.106 0.000 0.829 578 D CB 0.065 40.907 40.800 0.071 0.000 0.961 578 D HN 0.533 nan 8.370 nan 0.000 0.460 579 N N -0.797 117.839 118.700 -0.106 0.000 2.242 579 N HA 0.245 4.923 4.740 -0.103 0.000 0.292 579 N C -1.301 174.029 175.510 -0.300 0.000 1.125 579 N CA -0.513 52.517 53.050 -0.033 0.000 0.783 579 N CB 1.833 40.318 38.487 -0.003 0.000 1.558 579 N HN -0.052 nan 8.380 nan 0.000 0.472 580 W N 0.082 121.446 121.300 0.107 0.000 2.819 580 W HA 0.434 5.032 4.660 -0.103 0.000 0.337 580 W C -0.227 176.286 176.519 -0.010 0.000 1.077 580 W CA -0.388 57.003 57.345 0.077 0.000 1.226 580 W CB 1.689 31.297 29.460 0.247 0.000 1.419 580 W HN 0.130 nan 8.180 nan 0.000 0.502 581 T N 2.367 116.823 114.554 -0.164 0.000 2.807 581 T HA 0.238 4.526 4.350 -0.103 0.000 0.279 581 T C -1.455 172.927 174.700 -0.530 0.000 0.993 581 T CA -0.471 61.376 62.100 -0.422 0.000 0.970 581 T CB 0.767 69.156 68.868 -0.798 0.000 0.950 581 T HN 0.207 nan 8.240 nan 0.000 0.441 582 Y N 3.456 123.307 120.300 -0.749 0.000 2.299 582 Y HA 0.593 5.081 4.550 -0.103 0.000 0.326 582 Y C -0.879 174.862 175.900 -0.264 0.000 1.164 582 Y CA -0.873 56.775 58.100 -0.754 0.000 1.234 582 Y CB 0.700 38.467 38.460 -1.154 0.000 1.219 582 Y HN 0.374 nan 8.280 nan 0.000 0.497 583 V N 6.175 125.644 119.914 -0.742 0.000 2.577 583 V HA 0.268 4.326 4.120 -0.103 0.000 0.303 583 V C -0.896 174.802 176.094 -0.661 0.000 1.042 583 V CA -1.148 60.879 62.300 -0.455 0.000 0.872 583 V CB 1.823 33.704 31.823 0.098 0.000 0.998 583 V HN 0.736 nan 8.190 nan 0.000 0.423 584 E N 2.643 122.555 120.200 -0.479 0.000 2.167 584 E HA 0.483 4.771 4.350 -0.103 0.000 0.284 584 E C 0.504 177.100 176.600 -0.006 0.000 1.016 584 E CA -0.145 56.102 56.400 -0.255 0.000 0.817 584 E CB 1.895 31.517 29.700 -0.130 0.000 1.080 584 E HN 0.810 nan 8.360 nan 0.000 0.397 585 A N 3.805 126.648 122.820 0.038 0.000 2.238 585 A HA 0.032 4.290 4.320 -0.103 0.000 0.210 585 A C 0.181 177.826 177.584 0.103 0.000 1.179 585 A CA 0.687 52.810 52.037 0.144 0.000 0.827 585 A CB -0.124 18.886 19.000 0.016 0.000 0.856 585 A HN 0.719 nan 8.150 nan 0.000 0.488 586 D N -2.992 117.435 120.400 0.045 0.000 2.768 586 D HA 0.264 4.843 4.640 -0.103 0.000 0.327 586 D C -0.600 175.715 176.300 0.025 0.000 1.302 586 D CA -0.258 53.765 54.000 0.038 0.000 0.897 586 D CB 0.025 40.837 40.800 0.020 0.000 1.420 586 D HN -0.049 nan 8.370 nan 0.000 0.494 587 N N -0.409 118.304 118.700 0.021 0.000 2.338 587 N HA 0.184 4.862 4.740 -0.103 0.000 0.251 587 N C -0.780 174.737 175.510 0.011 0.000 1.199 587 N CA -0.406 52.654 53.050 0.017 0.000 0.879 587 N CB -0.086 38.411 38.487 0.017 0.000 1.159 587 N HN 0.423 nan 8.380 nan 0.000 0.514 588 L N 0.927 122.155 121.223 0.008 0.000 2.319 588 L HA 0.275 4.553 4.340 -0.103 0.000 0.280 588 L C 1.127 177.997 176.870 -0.001 0.000 1.099 588 L CA -0.186 54.656 54.840 0.004 0.000 0.828 588 L CB 1.170 43.230 42.059 0.002 0.000 1.150 588 L HN 0.259 nan 8.230 nan 0.000 0.442 589 T N -2.473 112.079 114.554 -0.003 0.000 3.092 589 T HA 0.076 4.364 4.350 -0.103 0.000 0.258 589 T C 1.449 176.140 174.700 -0.014 0.000 1.031 589 T CA 0.250 62.342 62.100 -0.013 0.000 0.925 589 T CB 0.456 69.319 68.868 -0.009 0.000 1.036 589 T HN 0.685 nan 8.240 nan 0.000 0.544 590 G N 1.223 110.023 108.800 0.000 0.000 2.572 590 G HA2 0.360 4.258 3.960 -0.103 0.000 0.216 590 G HA3 0.360 4.258 3.960 -0.103 0.000 0.216 590 G C 1.383 176.300 174.900 0.029 0.000 1.133 590 G CA 0.070 45.178 45.100 0.015 0.000 0.791 590 G HN 1.225 nan 8.290 nan 0.000 0.538 591 G N -0.647 108.162 108.800 0.015 0.000 2.179 591 G HA2 0.089 3.987 3.960 -0.103 0.000 0.257 591 G HA3 0.089 3.987 3.960 -0.103 0.000 0.257 591 G C 0.581 175.601 174.900 0.201 0.000 1.010 591 G CA 0.473 45.603 45.100 0.050 0.000 0.736 591 G HN 1.328 nan 8.290 nan 0.000 0.513 592 A N -0.490 122.408 122.820 0.129 0.000 2.386 592 A HA 0.621 4.879 4.320 -0.103 0.000 0.246 592 A C 1.048 178.697 177.584 0.108 0.000 1.089 592 A CA 1.043 53.145 52.037 0.109 0.000 0.790 592 A CB 0.279 19.301 19.000 0.036 0.000 1.042 592 A HN 0.905 nan 8.150 nan 0.000 0.497 593 T N 2.006 116.564 114.554 0.007 0.000 3.455 593 T HA 0.376 4.664 4.350 -0.103 0.000 0.286 593 T C 0.596 174.999 174.700 -0.496 0.000 1.157 593 T CA 0.623 62.567 62.100 -0.259 0.000 1.090 593 T CB -0.253 68.538 68.868 -0.129 0.000 1.112 593 T HN 0.844 nan 8.240 nan 0.000 0.779 594 A N 3.527 125.984 122.820 -0.605 0.000 3.197 594 A HA 0.265 4.524 4.320 -0.103 0.000 0.263 594 A C 0.576 177.868 177.584 -0.486 0.000 1.524 594 A CA -0.608 51.183 52.037 -0.410 0.000 1.176 594 A CB -0.419 18.475 19.000 -0.177 0.000 1.096 594 A HN 0.718 nan 8.150 nan 0.000 0.655 595 E N 0.696 120.542 120.200 -0.589 0.000 2.415 595 E HA 0.407 4.695 4.350 -0.103 0.000 0.263 595 E C 0.302 176.804 176.600 -0.163 0.000 0.995 595 E CA 0.438 56.661 56.400 -0.294 0.000 0.915 595 E CB 0.751 30.319 29.700 -0.220 0.000 0.951 595 E HN 0.616 nan 8.360 nan 0.000 0.449 596 A N 3.302 126.072 122.820 -0.084 0.000 2.527 596 A HA 0.573 4.831 4.320 -0.103 0.000 0.293 596 A C -1.194 176.407 177.584 0.028 0.000 1.117 596 A CA -0.836 51.170 52.037 -0.050 0.000 0.723 596 A CB 1.842 20.770 19.000 -0.119 0.000 1.313 596 A HN 0.445 nan 8.150 nan 0.000 0.411 597 Q N 0.055 119.910 119.800 0.092 0.000 2.389 597 Q HA 0.572 4.850 4.340 -0.103 0.000 0.277 597 Q C -1.449 174.677 176.000 0.211 0.000 1.082 597 Q CA -0.285 55.609 55.803 0.151 0.000 0.810 597 Q CB 2.237 31.065 28.738 0.149 0.000 1.374 597 Q HN 0.690 nan 8.270 nan 0.000 0.422 598 I N 0.656 121.362 120.570 0.227 0.000 2.441 598 I HA 0.592 4.700 4.170 -0.103 0.000 0.295 598 I C -0.274 175.985 176.117 0.236 0.000 0.994 598 I CA -1.087 60.360 61.300 0.246 0.000 1.144 598 I CB 1.988 40.141 38.000 0.254 0.000 1.314 598 I HN 0.108 nan 8.210 nan 0.000 0.445 599 V N 5.266 125.326 119.914 0.243 0.000 2.789 599 V HA 0.342 4.400 4.120 -0.103 0.000 0.311 599 V C -0.562 175.617 176.094 0.142 0.000 1.073 599 V CA -0.435 61.989 62.300 0.208 0.000 0.921 599 V CB 2.429 34.412 31.823 0.267 0.000 1.009 599 V HN 0.814 nan 8.190 nan 0.000 0.426 600 E N 4.909 125.162 120.200 0.089 0.000 2.231 600 E HA 0.460 4.748 4.350 -0.103 0.000 0.277 600 E C -0.784 175.790 176.600 -0.044 0.000 0.999 600 E CA -0.764 55.652 56.400 0.027 0.000 0.827 600 E CB 1.250 30.965 29.700 0.025 0.000 1.101 600 E HN 0.517 nan 8.360 nan 0.000 0.393 601 M N 3.850 123.378 119.600 -0.119 0.000 2.283 601 M HA 0.219 4.637 4.480 -0.103 0.000 0.314 601 M C -1.749 174.391 176.300 -0.266 0.000 1.153 601 M CA -2.363 52.741 55.300 -0.326 0.000 1.084 601 M CB -0.028 32.260 32.600 -0.519 0.000 1.468 601 M HN 0.352 nan 8.290 nan 0.000 0.474 602 P HA -0.205 nan 4.420 nan 0.000 0.216 602 P C 0.461 177.751 177.300 -0.016 0.000 1.154 602 P CA 1.606 64.629 63.100 -0.128 0.000 0.865 602 P CB -0.036 31.618 31.700 -0.076 0.000 0.789 603 D N -2.563 117.870 120.400 0.055 0.000 2.340 603 D HA 0.097 4.675 4.640 -0.103 0.000 0.220 603 D C 1.380 177.695 176.300 0.026 0.000 1.039 603 D CA 0.648 54.696 54.000 0.081 0.000 0.866 603 D CB -0.734 40.159 40.800 0.155 0.000 0.913 603 D HN 0.281 nan 8.370 nan 0.000 0.523 604 G N 0.109 108.904 108.800 -0.008 0.000 2.194 604 G HA2 -0.278 3.620 3.960 -0.103 0.000 0.236 604 G HA3 -0.278 3.620 3.960 -0.103 0.000 0.236 604 G C 0.481 175.353 174.900 -0.048 0.000 0.987 604 G CA 0.272 45.355 45.100 -0.028 0.000 0.635 604 G HN 0.759 nan 8.290 nan 0.000 0.520 605 S N 0.023 115.706 115.700 -0.028 0.000 2.596 605 S HA 0.726 5.134 4.470 -0.103 0.000 0.260 605 S C 0.183 174.745 174.600 -0.064 0.000 1.336 605 S CA -0.152 58.014 58.200 -0.057 0.000 0.993 605 S CB 1.488 64.696 63.200 0.014 0.000 0.923 605 S HN 0.850 nan 8.310 nan 0.000 0.567 606 L N 0.308 121.473 121.223 -0.096 0.000 2.381 606 L HA 0.597 4.875 4.340 -0.103 0.000 0.268 606 L C -0.225 176.700 176.870 0.092 0.000 0.997 606 L CA -0.729 54.110 54.840 -0.001 0.000 0.818 606 L CB 1.987 44.057 42.059 0.019 0.000 1.310 606 L HN 0.641 nan 8.230 nan 0.000 0.416 607 K N 1.355 121.844 120.400 0.148 0.000 2.376 607 K HA 0.569 4.827 4.320 -0.103 0.000 0.257 607 K C -1.130 175.523 176.600 0.088 0.000 0.939 607 K CA -0.569 55.782 56.287 0.106 0.000 0.809 607 K CB 2.448 34.968 32.500 0.034 0.000 1.121 607 K HN 0.496 nan 8.250 nan 0.000 0.425 608 T N 2.549 117.115 114.554 0.020 0.000 2.797 608 T HA 0.383 4.671 4.350 -0.103 0.000 0.279 608 T C -1.044 173.497 174.700 -0.265 0.000 0.991 608 T CA -0.455 61.628 62.100 -0.029 0.000 0.979 608 T CB 0.314 69.145 68.868 -0.062 0.000 0.943 608 T HN 0.246 nan 8.240 nan 0.000 0.444 609 Y N 3.265 123.608 120.300 0.072 0.000 2.360 609 Y HA 0.698 5.186 4.550 -0.102 0.000 0.337 609 Y C 0.165 176.042 175.900 -0.038 0.000 1.039 609 Y CA -1.188 56.924 58.100 0.021 0.000 1.109 609 Y CB 1.144 39.621 38.460 0.029 0.000 1.201 609 Y HN 0.514 nan 8.280 nan 0.000 0.458 610 L N 0.554 121.799 121.223 0.037 0.000 2.424 610 L HA 0.739 5.017 4.340 -0.103 0.000 0.258 610 L C -0.727 176.087 176.870 -0.092 0.000 0.995 610 L CA -1.430 53.377 54.840 -0.055 0.000 0.821 610 L CB 2.089 44.082 42.059 -0.111 0.000 1.383 610 L HN 0.534 nan 8.230 nan 0.000 0.410 611 R N 0.745 121.160 120.500 -0.142 0.000 2.582 611 R HA 0.666 4.944 4.340 -0.103 0.000 0.271 611 R C -0.504 175.699 176.300 -0.161 0.000 1.078 611 R CA 0.595 56.596 56.100 -0.166 0.000 1.127 611 R CB 1.067 31.245 30.300 -0.202 0.000 1.038 611 R HN 1.010 nan 8.270 nan 0.000 0.500 612 T N -0.798 113.669 114.554 -0.145 0.000 2.804 612 T HA 0.420 4.708 4.350 -0.103 0.000 0.290 612 T C 0.676 175.311 174.700 -0.109 0.000 1.099 612 T CA -0.484 61.546 62.100 -0.117 0.000 1.011 612 T CB 1.552 70.365 68.868 -0.093 0.000 1.291 612 T HN 0.513 nan 8.240 nan 0.000 0.523 613 G N 0.223 108.980 108.800 -0.072 0.000 3.141 613 G HA2 0.420 4.318 3.960 -0.103 0.000 0.218 613 G HA3 0.420 4.318 3.960 -0.103 0.000 0.218 613 G C 0.265 175.132 174.900 -0.056 0.000 1.170 613 G CA -0.281 44.790 45.100 -0.049 0.000 0.769 613 G HN 0.729 nan 8.290 nan 0.000 0.546 614 S N -0.390 115.264 115.700 -0.076 0.000 2.767 614 S HA 0.255 4.664 4.470 -0.103 0.000 0.300 614 S C 0.297 174.830 174.600 -0.111 0.000 1.123 614 S CA -0.676 57.479 58.200 -0.075 0.000 0.992 614 S CB 1.063 64.226 63.200 -0.061 0.000 1.138 614 S HN 0.115 nan 8.310 nan 0.000 0.550 615 N N 0.750 119.388 118.700 -0.104 0.000 2.509 615 N HA 0.243 4.922 4.740 -0.103 0.000 0.239 615 N C -0.529 174.901 175.510 -0.133 0.000 1.215 615 N CA -0.068 52.904 53.050 -0.129 0.000 0.882 615 N CB -0.590 37.833 38.487 -0.107 0.000 1.189 615 N HN 0.609 nan 8.380 nan 0.000 0.490 616 C N -2.586 116.633 119.300 -0.134 0.000 3.312 616 C HA 0.550 4.948 4.460 -0.103 0.000 0.332 616 C C -0.395 174.513 174.990 -0.138 0.000 1.340 616 C CA -1.703 57.231 59.018 -0.138 0.000 1.265 616 C CB 0.318 27.992 27.740 -0.110 0.000 1.563 616 C HN 0.051 nan 8.230 nan 0.000 0.471 617 I N 2.364 122.845 120.570 -0.149 0.000 2.396 617 I HA 0.571 4.679 4.170 -0.103 0.000 0.292 617 I C 0.865 176.945 176.117 -0.062 0.000 0.999 617 I CA 0.158 61.385 61.300 -0.121 0.000 1.310 617 I CB 1.461 39.361 38.000 -0.166 0.000 1.404 617 I HN 1.015 nan 8.210 nan 0.000 0.496 618 A N 5.862 128.659 122.820 -0.037 0.000 2.294 618 A HA 0.611 4.869 4.320 -0.103 0.000 0.330 618 A C -0.559 177.014 177.584 -0.019 0.000 1.133 618 A CA -0.464 51.559 52.037 -0.023 0.000 0.836 618 A CB 1.219 20.192 19.000 -0.045 0.000 1.190 618 A HN 0.752 nan 8.150 nan 0.000 0.492 619 E N 0.428 120.598 120.200 -0.051 0.000 2.248 619 E HA 0.582 4.870 4.350 -0.103 0.000 0.267 619 E C -1.415 175.130 176.600 -0.092 0.000 0.877 619 E CA -0.676 55.611 56.400 -0.189 0.000 0.759 619 E CB 1.837 31.444 29.700 -0.156 0.000 1.182 619 E HN 0.757 nan 8.360 nan 0.000 0.418 620 V N 0.447 120.316 119.914 -0.075 0.000 2.876 620 V HA 0.726 4.784 4.120 -0.103 0.000 0.312 620 V C -0.598 175.647 176.094 0.253 0.000 1.085 620 V CA -0.590 61.778 62.300 0.112 0.000 0.945 620 V CB 1.763 33.683 31.823 0.163 0.000 1.017 620 V HN 0.644 nan 8.190 nan 0.000 0.428 621 T N 2.449 117.166 114.554 0.271 0.000 2.887 621 T HA 0.715 5.004 4.350 -0.103 0.000 0.288 621 T C -0.516 174.131 174.700 -0.088 0.000 1.021 621 T CA -0.479 61.711 62.100 0.151 0.000 1.000 621 T CB 1.674 70.570 68.868 0.046 0.000 1.034 621 T HN 1.059 nan 8.240 nan 0.000 0.467 622 S N 1.284 116.701 115.700 -0.472 0.000 2.538 622 S HA 0.561 4.969 4.470 -0.103 0.000 0.288 622 S C 0.035 174.344 174.600 -0.484 0.000 1.108 622 S CA -0.758 56.930 58.200 -0.853 0.000 0.971 622 S CB 0.498 62.537 63.200 -1.936 0.000 1.041 622 S HN 0.550 nan 8.310 nan 0.000 0.483 623 I N 3.416 123.763 120.570 -0.373 0.000 4.082 623 I HA 0.233 4.341 4.170 -0.103 0.000 0.337 623 I C 0.230 176.200 176.117 -0.245 0.000 1.352 623 I CA 0.263 61.421 61.300 -0.237 0.000 1.097 623 I CB -0.074 37.832 38.000 -0.157 0.000 1.048 623 I HN 0.683 nan 8.210 nan 0.000 0.393 624 D N -0.046 120.153 120.400 -0.334 0.000 2.891 624 D HA 0.295 4.874 4.640 -0.103 0.000 0.312 624 D C 1.154 177.244 176.300 -0.349 0.000 1.354 624 D CA -0.386 53.439 54.000 -0.292 0.000 0.838 624 D CB 0.067 40.716 40.800 -0.252 0.000 1.117 624 D HN 0.197 nan 8.370 nan 0.000 0.473 625 G N -0.083 108.501 108.800 -0.359 0.000 2.221 625 G HA2 -0.024 3.875 3.960 -0.103 0.000 0.265 625 G HA3 -0.024 3.875 3.960 -0.103 0.000 0.265 625 G C 1.155 175.789 174.900 -0.444 0.000 1.041 625 G CA 0.373 45.257 45.100 -0.361 0.000 0.807 625 G HN 1.487 nan 8.290 nan 0.000 0.502 626 G N -1.397 107.038 108.800 -0.608 0.000 2.157 626 G HA2 -0.267 3.632 3.960 -0.103 0.000 0.248 626 G HA3 -0.267 3.632 3.960 -0.103 0.000 0.248 626 G C 0.797 175.492 174.900 -0.342 0.000 0.979 626 G CA 1.192 45.943 45.100 -0.581 0.000 0.650 626 G HN 0.784 nan 8.290 nan 0.000 0.529 627 E N -0.195 119.768 120.200 -0.395 0.000 2.158 627 E HA 0.138 4.426 4.350 -0.103 0.000 0.191 627 E C 1.348 177.865 176.600 -0.139 0.000 0.982 627 E CA 1.285 57.578 56.400 -0.178 0.000 0.823 627 E CB 0.161 29.751 29.700 -0.184 0.000 0.766 627 E HN 0.726 nan 8.360 nan 0.000 0.468 628 T N -2.165 112.183 114.554 -0.343 0.000 2.909 628 T HA 0.519 4.807 4.350 -0.103 0.000 0.299 628 T C -1.440 172.963 174.700 -0.496 0.000 1.073 628 T CA -0.932 61.039 62.100 -0.215 0.000 0.999 628 T CB 1.232 70.016 68.868 -0.141 0.000 1.098 628 T HN 0.051 nan 8.240 nan 0.000 0.477 629 W N 1.209 122.484 121.300 -0.042 0.000 2.936 629 W HA 0.622 5.220 4.660 -0.103 0.000 0.338 629 W C 0.479 176.988 176.519 -0.016 0.000 1.121 629 W CA -0.739 56.588 57.345 -0.030 0.000 1.209 629 W CB 2.040 31.515 29.460 0.026 0.000 1.420 629 W HN 1.006 nan 8.180 nan 0.000 0.516 630 S N 0.401 116.218 115.700 0.196 0.000 2.608 630 S HA 0.275 4.683 4.470 -0.103 0.000 0.261 630 S C -0.109 174.565 174.600 0.123 0.000 1.314 630 S CA -0.708 57.559 58.200 0.112 0.000 0.992 630 S CB 0.668 63.908 63.200 0.066 0.000 0.935 630 S HN 0.392 nan 8.310 nan 0.000 0.564 631 D N 0.797 121.240 120.400 0.072 0.000 2.368 631 D HA 0.190 4.768 4.640 -0.103 0.000 0.240 631 D C 0.263 176.589 176.300 0.044 0.000 1.169 631 D CA 0.050 54.083 54.000 0.054 0.000 0.906 631 D CB 0.291 41.111 40.800 0.032 0.000 1.187 631 D HN 0.452 nan 8.370 nan 0.000 0.435 632 R N 0.191 120.707 120.500 0.027 0.000 2.537 632 R HA 0.313 4.591 4.340 -0.103 0.000 0.280 632 R C -0.523 175.781 176.300 0.006 0.000 1.058 632 R CA -0.153 55.952 56.100 0.009 0.000 1.057 632 R CB 0.506 30.800 30.300 -0.009 0.000 0.973 632 R HN 0.119 nan 8.270 nan 0.000 0.438 633 V N 5.438 125.355 119.914 0.005 0.000 2.588 633 V HA 0.280 4.338 4.120 -0.103 0.000 0.304 633 V C -2.200 173.898 176.094 0.007 0.000 1.042 633 V CA -2.335 59.971 62.300 0.010 0.000 0.877 633 V CB 2.154 33.992 31.823 0.024 0.000 0.996 633 V HN 0.659 nan 8.190 nan 0.000 0.425 634 P HA 0.134 nan 4.420 nan 0.000 0.268 634 P C -0.670 176.629 177.300 -0.001 0.000 1.205 634 P CA -0.342 62.747 63.100 -0.018 0.000 0.771 634 P CB 0.489 32.170 31.700 -0.032 0.000 0.858 635 L N 3.822 125.032 121.223 -0.022 0.000 2.385 635 L HA 0.203 4.481 4.340 -0.103 0.000 0.285 635 L C 0.080 176.879 176.870 -0.120 0.000 1.125 635 L CA -0.234 54.589 54.840 -0.029 0.000 0.890 635 L CB -0.597 41.405 42.059 -0.094 0.000 1.251 635 L HN 0.247 nan 8.230 nan 0.000 0.445 636 Q N 3.464 123.234 119.800 -0.051 0.000 2.274 636 Q HA 0.442 4.720 4.340 -0.103 0.000 0.280 636 Q C 1.151 177.080 176.000 -0.118 0.000 1.047 636 Q CA 1.396 57.162 55.803 -0.063 0.000 0.907 636 Q CB 0.646 29.383 28.738 -0.002 0.000 1.171 636 Q HN 0.924 nan 8.270 nan 0.000 0.381 637 G N 3.265 111.982 108.800 -0.138 0.000 2.195 637 G HA2 -0.234 3.665 3.960 -0.103 0.000 0.246 637 G HA3 -0.234 3.665 3.960 -0.103 0.000 0.246 637 G C 0.087 174.801 174.900 -0.310 0.000 0.984 637 G CA 0.013 45.021 45.100 -0.154 0.000 0.633 637 G HN 0.551 nan 8.290 nan 0.000 0.525 638 I N 2.804 123.087 120.570 -0.478 0.000 2.371 638 I HA 0.330 4.439 4.170 -0.103 0.000 0.282 638 I C 0.382 176.283 176.117 -0.360 0.000 1.031 638 I CA -0.581 60.323 61.300 -0.660 0.000 1.180 638 I CB 1.449 38.767 38.000 -1.137 0.000 1.336 638 I HN 0.068 nan 8.210 nan 0.000 0.467 639 S N 3.944 119.523 115.700 -0.202 0.000 2.579 639 S HA 0.410 4.818 4.470 -0.103 0.000 0.275 639 S C 0.193 174.697 174.600 -0.160 0.000 1.345 639 S CA -0.170 57.943 58.200 -0.145 0.000 1.031 639 S CB 1.592 64.745 63.200 -0.078 0.000 0.892 639 S HN 0.744 nan 8.310 nan 0.000 0.529 640 T N 0.152 114.604 114.554 -0.171 0.000 2.665 640 T HA 0.560 4.848 4.350 -0.103 0.000 0.303 640 T C -0.590 173.959 174.700 -0.251 0.000 1.334 640 T CA -0.489 61.486 62.100 -0.207 0.000 1.011 640 T CB 0.815 69.546 68.868 -0.228 0.000 1.573 640 T HN 0.760 nan 8.240 nan 0.000 0.492 641 T N -0.123 114.204 114.554 -0.377 0.000 2.862 641 T HA 0.462 4.751 4.350 -0.103 0.000 0.276 641 T C 1.676 176.071 174.700 -0.508 0.000 0.974 641 T CA 0.236 62.007 62.100 -0.549 0.000 0.966 641 T CB 0.903 69.113 68.868 -1.097 0.000 1.072 641 T HN 0.755 nan 8.240 nan 0.000 0.538 642 S N 0.619 116.042 115.700 -0.461 0.000 2.357 642 S HA -0.162 4.246 4.470 -0.103 0.000 0.221 642 S C 2.018 176.462 174.600 -0.259 0.000 1.031 642 S CA 1.082 59.131 58.200 -0.252 0.000 0.982 642 S CB -1.319 61.826 63.200 -0.093 0.000 0.853 642 S HN 0.908 nan 8.310 nan 0.000 0.458 643 Y N 2.067 122.211 120.300 -0.259 0.000 2.293 643 Y HA 0.409 4.896 4.550 -0.104 0.000 0.291 643 Y C 1.397 177.056 175.900 -0.401 0.000 1.137 643 Y CA -0.594 57.276 58.100 -0.383 0.000 1.202 643 Y CB -1.386 36.629 38.460 -0.742 0.000 0.990 643 Y HN 0.568 nan 8.280 nan 0.000 0.537 644 G N -0.106 108.338 108.800 -0.594 0.000 2.828 644 G HA2 0.047 3.945 3.960 -0.103 0.000 0.463 644 G HA3 0.047 3.945 3.960 -0.103 0.000 0.463 644 G C -0.730 174.021 174.900 -0.249 0.000 1.394 644 G CA -0.342 44.526 45.100 -0.386 0.000 0.862 644 G HN 0.563 nan 8.290 nan 0.000 0.540 645 T N 0.592 115.040 114.554 -0.177 0.000 2.923 645 T HA 0.516 4.804 4.350 -0.103 0.000 0.311 645 T C -0.030 174.521 174.700 -0.248 0.000 1.183 645 T CA -0.330 61.717 62.100 -0.089 0.000 1.020 645 T CB 1.893 70.761 68.868 -0.001 0.000 1.165 645 T HN 0.918 nan 8.240 nan 0.000 0.482 646 Q N 2.002 121.455 119.800 -0.579 0.000 2.428 646 Q HA 0.263 4.541 4.340 -0.103 0.000 0.276 646 Q C -0.989 174.798 176.000 -0.355 0.000 1.059 646 Q CA 0.098 55.510 55.803 -0.652 0.000 0.923 646 Q CB 0.321 28.237 28.738 -1.370 0.000 1.283 646 Q HN 0.627 nan 8.270 nan 0.000 0.447 647 L N -0.544 120.558 121.223 -0.201 0.000 2.303 647 L HA 0.764 5.042 4.340 -0.103 0.000 0.256 647 L C -0.714 176.151 176.870 -0.008 0.000 1.034 647 L CA -0.849 53.944 54.840 -0.080 0.000 0.832 647 L CB 1.861 43.871 42.059 -0.083 0.000 1.403 647 L HN 0.443 nan 8.230 nan 0.000 0.419 648 S N 0.184 115.914 115.700 0.050 0.000 2.594 648 S HA 0.835 5.243 4.470 -0.103 0.000 0.296 648 S C -1.515 173.149 174.600 0.106 0.000 1.124 648 S CA -0.469 57.791 58.200 0.101 0.000 1.011 648 S CB 1.526 64.812 63.200 0.143 0.000 1.016 648 S HN 0.998 nan 8.310 nan 0.000 0.485 649 V N 7.391 127.386 119.914 0.135 0.000 2.623 649 V HA 0.769 4.827 4.120 -0.103 0.000 0.304 649 V C -0.961 175.248 176.094 0.190 0.000 1.054 649 V CA -0.719 61.672 62.300 0.153 0.000 0.882 649 V CB 1.432 33.336 31.823 0.135 0.000 1.002 649 V HN 0.909 nan 8.190 nan 0.000 0.424 650 I N 2.813 123.500 120.570 0.194 0.000 3.074 650 I HA 0.679 4.787 4.170 -0.103 0.000 0.310 650 I C -0.550 175.682 176.117 0.192 0.000 1.153 650 I CA -1.038 60.380 61.300 0.196 0.000 0.993 650 I CB 2.494 40.615 38.000 0.203 0.000 1.237 650 I HN 0.504 nan 8.210 nan 0.000 0.443 651 N N 1.431 120.236 118.700 0.175 0.000 2.524 651 N HA 0.368 5.046 4.740 -0.103 0.000 0.283 651 N C -1.646 173.985 175.510 0.201 0.000 1.142 651 N CA -0.242 52.901 53.050 0.156 0.000 0.984 651 N CB 0.806 39.358 38.487 0.109 0.000 1.155 651 N HN 0.552 nan 8.380 nan 0.000 0.467 652 Y N 0.628 120.961 120.300 0.054 0.000 2.377 652 Y HA 0.224 4.712 4.550 -0.103 0.000 0.339 652 Y C 1.295 177.217 175.900 0.037 0.000 1.011 652 Y CA -0.828 57.302 58.100 0.050 0.000 1.093 652 Y CB 1.218 39.703 38.460 0.040 0.000 1.201 652 Y HN 0.692 nan 8.280 nan 0.000 0.455 653 S N 2.576 118.007 115.700 -0.450 0.000 2.402 653 S HA -0.019 4.389 4.470 -0.103 0.000 0.229 653 S C 0.284 174.761 174.600 -0.206 0.000 1.021 653 S CA 0.678 58.711 58.200 -0.279 0.000 0.974 653 S CB -0.083 62.958 63.200 -0.264 0.000 0.800 653 S HN 0.663 nan 8.310 nan 0.000 0.484 654 Q N 1.899 121.530 119.800 -0.281 0.000 2.257 654 Q HA 0.551 4.829 4.340 -0.103 0.000 0.262 654 Q C -2.745 173.356 176.000 0.168 0.000 0.997 654 Q CA -2.570 53.222 55.803 -0.019 0.000 0.873 654 Q CB 1.221 29.966 28.738 0.011 0.000 1.312 654 Q HN 0.261 nan 8.270 nan 0.000 0.450 655 P HA 0.293 nan 4.420 nan 0.000 0.274 655 P C -0.553 176.821 177.300 0.123 0.000 1.231 655 P CA -0.071 63.096 63.100 0.112 0.000 0.790 655 P CB 0.914 32.653 31.700 0.064 0.000 0.951 656 I N 1.758 122.384 120.570 0.093 0.000 2.436 656 I HA 0.139 4.247 4.170 -0.103 0.000 0.289 656 I C 0.087 176.243 176.117 0.066 0.000 1.010 656 I CA -0.439 60.894 61.300 0.055 0.000 1.098 656 I CB 1.190 39.194 38.000 0.006 0.000 1.266 656 I HN 0.339 nan 8.210 nan 0.000 0.434 657 D N 4.966 125.403 120.400 0.062 0.000 2.837 657 D HA -0.193 4.385 4.640 -0.103 0.000 0.230 657 D C 1.095 177.427 176.300 0.053 0.000 1.152 657 D CA 1.725 55.768 54.000 0.071 0.000 0.736 657 D CB -1.040 39.828 40.800 0.114 0.000 1.084 657 D HN 1.140 nan 8.370 nan 0.000 0.429 658 G N -0.863 107.965 108.800 0.048 0.000 2.148 658 G HA2 -0.366 3.532 3.960 -0.103 0.000 0.254 658 G HA3 -0.366 3.532 3.960 -0.103 0.000 0.254 658 G C 0.261 175.184 174.900 0.038 0.000 0.981 658 G CA 0.944 46.068 45.100 0.040 0.000 0.670 658 G HN 0.525 nan 8.290 nan 0.000 0.528 659 K N -0.079 120.346 120.400 0.041 0.000 2.395 659 K HA 0.536 4.794 4.320 -0.103 0.000 0.247 659 K C -2.932 173.688 176.600 0.033 0.000 0.973 659 K CA -2.400 53.907 56.287 0.032 0.000 0.828 659 K CB 2.302 34.815 32.500 0.022 0.000 1.272 659 K HN -0.114 nan 8.250 nan 0.000 0.439 660 P HA 0.018 nan 4.420 nan 0.000 0.268 660 P C -1.409 175.895 177.300 0.006 0.000 1.204 660 P CA 0.121 63.228 63.100 0.012 0.000 0.768 660 P CB 0.741 32.423 31.700 -0.031 0.000 0.842 661 A N 3.569 126.417 122.820 0.047 0.000 2.401 661 A HA 0.835 5.093 4.320 -0.103 0.000 0.310 661 A C -0.535 177.083 177.584 0.056 0.000 1.075 661 A CA -0.743 51.312 52.037 0.030 0.000 0.746 661 A CB 0.925 19.959 19.000 0.056 0.000 1.277 661 A HN 0.579 nan 8.150 nan 0.000 0.425 662 I N -1.127 119.439 120.570 -0.005 0.000 2.785 662 I HA 0.795 4.903 4.170 -0.103 0.000 0.302 662 I C -1.180 175.001 176.117 0.107 0.000 1.069 662 I CA -1.013 60.323 61.300 0.060 0.000 1.045 662 I CB 2.040 40.065 38.000 0.043 0.000 1.236 662 I HN 0.470 nan 8.210 nan 0.000 0.429 663 I N 5.137 125.818 120.570 0.184 0.000 2.465 663 I HA 0.515 4.623 4.170 -0.103 0.000 0.291 663 I C -0.994 175.272 176.117 0.247 0.000 1.014 663 I CA -0.683 60.749 61.300 0.220 0.000 1.093 663 I CB 2.308 40.385 38.000 0.128 0.000 1.267 663 I HN 0.523 nan 8.210 nan 0.000 0.431 664 L N 5.032 126.429 121.223 0.289 0.000 2.362 664 L HA 0.676 4.954 4.340 -0.103 0.000 0.271 664 L C -0.586 176.380 176.870 0.160 0.000 1.002 664 L CA -0.085 54.837 54.840 0.136 0.000 0.818 664 L CB 2.042 44.015 42.059 -0.143 0.000 1.298 664 L HN 0.669 nan 8.230 nan 0.000 0.420 665 S N 3.058 118.830 115.700 0.120 0.000 2.521 665 S HA 0.858 5.266 4.470 -0.103 0.000 0.295 665 S C -1.058 173.625 174.600 0.137 0.000 1.098 665 S CA -0.242 58.054 58.200 0.160 0.000 0.999 665 S CB 1.593 64.919 63.200 0.210 0.000 1.034 665 S HN 0.829 nan 8.310 nan 0.000 0.483 666 S N 3.604 119.379 115.700 0.126 0.000 2.614 666 S HA 0.541 4.949 4.470 -0.103 0.000 0.280 666 S C -3.226 171.364 174.600 -0.017 0.000 1.111 666 S CA -0.912 57.342 58.200 0.090 0.000 0.847 666 S CB 1.646 64.824 63.200 -0.036 0.000 1.079 666 S HN 0.597 nan 8.310 nan 0.000 0.452 667 P HA 0.311 nan 4.420 nan 0.000 0.275 667 P C -0.352 176.913 177.300 -0.058 0.000 1.227 667 P CA -0.036 63.044 63.100 -0.034 0.000 0.781 667 P CB 0.464 32.233 31.700 0.115 0.000 0.906 668 N N 1.149 119.808 118.700 -0.068 0.000 2.254 668 N HA 0.104 4.783 4.740 -0.103 0.000 0.190 668 N C 0.357 175.841 175.510 -0.043 0.000 1.107 668 N CA -0.223 52.812 53.050 -0.027 0.000 0.869 668 N CB 0.032 38.535 38.487 0.026 0.000 0.983 668 N HN 0.438 nan 8.380 nan 0.000 0.487 669 A N -0.558 122.233 122.820 -0.048 0.000 2.386 669 A HA 0.254 4.512 4.320 -0.103 0.000 0.248 669 A C 1.277 178.813 177.584 -0.081 0.000 1.082 669 A CA 0.254 52.265 52.037 -0.044 0.000 0.789 669 A CB 0.056 19.047 19.000 -0.015 0.000 1.025 669 A HN 0.445 nan 8.150 nan 0.000 0.490 670 T N -0.942 113.569 114.554 -0.073 0.000 3.129 670 T HA 0.162 4.450 4.350 -0.103 0.000 0.251 670 T C 0.357 174.991 174.700 -0.110 0.000 1.117 670 T CA 0.256 62.293 62.100 -0.105 0.000 1.034 670 T CB -0.256 68.566 68.868 -0.077 0.000 0.968 670 T HN 0.500 nan 8.240 nan 0.000 0.526 671 N N 0.539 119.204 118.700 -0.058 0.000 2.503 671 N HA 0.504 5.182 4.740 -0.103 0.000 0.287 671 N C -0.400 175.152 175.510 0.069 0.000 1.096 671 N CA 0.499 53.553 53.050 0.007 0.000 0.936 671 N CB 1.945 40.462 38.487 0.049 0.000 1.570 671 N HN 0.578 nan 8.380 nan 0.000 0.504 672 G N 1.651 110.551 108.800 0.166 0.000 2.692 672 G HA2 -0.171 3.727 3.960 -0.103 0.000 0.686 672 G HA3 -0.171 3.727 3.960 -0.103 0.000 0.686 672 G C -0.930 174.054 174.900 0.139 0.000 1.243 672 G CA -0.946 44.274 45.100 0.200 0.000 0.782 672 G HN 0.598 nan 8.290 nan 0.000 0.625 673 R N 1.507 122.110 120.500 0.172 0.000 2.408 673 R HA 0.428 4.706 4.340 -0.103 0.000 0.308 673 R C 0.726 177.116 176.300 0.151 0.000 1.210 673 R CA 0.046 56.232 56.100 0.144 0.000 1.115 673 R CB 0.418 30.819 30.300 0.168 0.000 1.127 673 R HN 0.748 nan 8.270 nan 0.000 0.523 674 K N -0.150 120.323 120.400 0.122 0.000 2.571 674 K HA 0.227 4.485 4.320 -0.103 0.000 0.289 674 K C -0.638 175.991 176.600 0.048 0.000 1.028 674 K CA -1.062 55.301 56.287 0.126 0.000 0.895 674 K CB 1.112 33.675 32.500 0.105 0.000 1.534 674 K HN 0.340 nan 8.250 nan 0.000 0.421 675 N N -0.139 118.574 118.700 0.023 0.000 2.726 675 N HA -0.153 4.525 4.740 -0.103 0.000 0.253 675 N C -0.344 175.022 175.510 -0.241 0.000 1.059 675 N CA 0.246 53.248 53.050 -0.080 0.000 0.701 675 N CB -0.759 37.689 38.487 -0.065 0.000 0.899 675 N HN 0.814 nan 8.380 nan 0.000 0.548 676 G N 1.444 109.956 108.800 -0.480 0.000 2.441 676 G HA2 0.327 4.225 3.960 -0.103 0.000 0.243 676 G HA3 0.327 4.225 3.960 -0.103 0.000 0.243 676 G C -0.341 174.063 174.900 -0.826 0.000 1.281 676 G CA 0.094 44.406 45.100 -1.314 0.000 0.854 676 G HN 0.366 nan 8.290 nan 0.000 0.560 677 K N 0.945 120.984 120.400 -0.602 0.000 2.469 677 K HA 0.446 4.704 4.320 -0.103 0.000 0.254 677 K C -0.987 175.467 176.600 -0.244 0.000 0.939 677 K CA -0.753 55.288 56.287 -0.409 0.000 0.812 677 K CB 2.760 34.998 32.500 -0.437 0.000 1.301 677 K HN 0.352 nan 8.250 nan 0.000 0.433 678 I N 1.888 122.309 120.570 -0.247 0.000 2.362 678 I HA 0.346 4.454 4.170 -0.103 0.000 0.289 678 I C -1.090 174.949 176.117 -0.130 0.000 0.994 678 I CA -0.648 60.599 61.300 -0.088 0.000 1.158 678 I CB 0.774 38.689 38.000 -0.141 0.000 1.315 678 I HN 0.380 nan 8.210 nan 0.000 0.451 679 W N 6.727 128.034 121.300 0.011 0.000 2.570 679 W HA 0.639 5.239 4.660 -0.101 0.000 0.337 679 W C -0.394 176.280 176.519 0.259 0.000 1.067 679 W CA -0.451 56.973 57.345 0.131 0.000 1.229 679 W CB 1.041 30.540 29.460 0.065 0.000 1.355 679 W HN 0.149 nan 8.180 nan 0.000 0.555 680 I N 2.730 123.615 120.570 0.525 0.000 2.389 680 I HA 0.499 4.607 4.170 -0.103 0.000 0.288 680 I C 0.479 176.762 176.117 0.277 0.000 0.999 680 I CA -0.716 60.787 61.300 0.339 0.000 1.129 680 I CB 1.159 39.294 38.000 0.225 0.000 1.288 680 I HN 0.561 nan 8.210 nan 0.000 0.444 681 G N 6.917 115.653 108.800 -0.107 0.000 2.417 681 G HA2 0.619 4.517 3.960 -0.103 0.000 0.320 681 G HA3 0.619 4.517 3.960 -0.103 0.000 0.320 681 G C -1.066 173.582 174.900 -0.419 0.000 1.204 681 G CA -0.401 44.262 45.100 -0.728 0.000 0.923 681 G HN 0.238 nan 8.290 nan 0.000 0.466 682 L N 2.454 123.496 121.223 -0.302 0.000 2.275 682 L HA 0.354 4.632 4.340 -0.103 0.000 0.288 682 L C 0.414 177.185 176.870 -0.166 0.000 1.046 682 L CA -0.756 53.990 54.840 -0.157 0.000 0.805 682 L CB 1.738 43.756 42.059 -0.068 0.000 1.193 682 L HN 0.239 nan 8.230 nan 0.000 0.426 683 V N 4.746 124.596 119.914 -0.108 0.000 2.488 683 V HA 0.325 4.384 4.120 -0.103 0.000 0.277 683 V C 0.214 176.321 176.094 0.023 0.000 1.046 683 V CA -0.528 61.735 62.300 -0.062 0.000 0.986 683 V CB 0.581 32.344 31.823 -0.101 0.000 0.989 683 V HN 0.720 nan 8.190 nan 0.000 0.475 684 N N 2.796 121.540 118.700 0.073 0.000 2.269 684 N HA 0.278 4.956 4.740 -0.103 0.000 0.304 684 N C -1.103 174.507 175.510 0.166 0.000 1.072 684 N CA -0.637 52.467 53.050 0.090 0.000 0.802 684 N CB 2.365 40.872 38.487 0.033 0.000 1.348 684 N HN 0.634 nan 8.380 nan 0.000 0.484 685 D N 0.843 121.311 120.400 0.113 0.000 2.313 685 D HA 0.073 4.651 4.640 -0.103 0.000 0.239 685 D C 1.148 177.417 176.300 -0.053 0.000 1.142 685 D CA -0.134 53.855 54.000 -0.017 0.000 0.847 685 D CB 1.114 41.893 40.800 -0.034 0.000 1.082 685 D HN 0.576 nan 8.370 nan 0.000 0.480 686 T N 0.941 115.441 114.554 -0.091 0.000 2.995 686 T HA 0.146 4.434 4.350 -0.103 0.000 0.269 686 T C 1.460 176.119 174.700 -0.067 0.000 1.091 686 T CA 0.821 62.885 62.100 -0.061 0.000 1.128 686 T CB 0.090 68.925 68.868 -0.055 0.000 0.891 686 T HN 0.629 nan 8.240 nan 0.000 0.492 687 G N 0.870 109.611 108.800 -0.098 0.000 2.184 687 G HA2 -0.183 3.715 3.960 -0.103 0.000 0.206 687 G HA3 -0.183 3.715 3.960 -0.103 0.000 0.206 687 G C 0.046 174.893 174.900 -0.088 0.000 0.995 687 G CA -0.138 44.913 45.100 -0.081 0.000 0.651 687 G HN 0.579 nan 8.290 nan 0.000 0.511 688 N N 0.410 119.046 118.700 -0.107 0.000 2.538 688 N HA 0.697 5.375 4.740 -0.103 0.000 0.292 688 N C 0.262 175.693 175.510 -0.132 0.000 1.262 688 N CA 0.678 53.669 53.050 -0.099 0.000 0.976 688 N CB 1.298 39.737 38.487 -0.081 0.000 1.161 688 N HN 0.524 nan 8.380 nan 0.000 0.598 689 T N -3.764 110.726 114.554 -0.108 0.000 2.916 689 T HA 0.695 4.983 4.350 -0.103 0.000 0.292 689 T C 0.557 175.199 174.700 -0.096 0.000 1.064 689 T CA 0.031 62.062 62.100 -0.114 0.000 1.011 689 T CB 1.774 70.589 68.868 -0.088 0.000 1.152 689 T HN 0.775 nan 8.240 nan 0.000 0.510 690 G N 1.055 109.800 108.800 -0.093 0.000 2.525 690 G HA2 -0.221 3.677 3.960 -0.103 0.000 0.248 690 G HA3 -0.221 3.677 3.960 -0.103 0.000 0.248 690 G C 0.735 175.597 174.900 -0.063 0.000 1.238 690 G CA -0.014 45.042 45.100 -0.074 0.000 0.926 690 G HN 1.024 nan 8.290 nan 0.000 0.574 691 I N 1.329 121.868 120.570 -0.051 0.000 2.423 691 I HA -0.096 4.012 4.170 -0.103 0.000 0.254 691 I C 1.662 177.772 176.117 -0.012 0.000 1.151 691 I CA 1.945 63.227 61.300 -0.029 0.000 1.421 691 I CB -0.235 37.749 38.000 -0.028 0.000 1.079 691 I HN 0.406 nan 8.210 nan 0.000 0.431 692 D N 0.318 120.699 120.400 -0.033 0.000 2.342 692 D HA -0.031 4.547 4.640 -0.103 0.000 0.221 692 D C 1.754 178.009 176.300 -0.074 0.000 1.101 692 D CA 0.073 54.054 54.000 -0.031 0.000 0.837 692 D CB 0.331 41.112 40.800 -0.031 0.000 0.938 692 D HN 0.344 nan 8.370 nan 0.000 0.508 693 K N 0.245 120.565 120.400 -0.134 0.000 2.026 693 K HA -0.145 4.113 4.320 -0.103 0.000 0.208 693 K C -0.020 176.326 176.600 -0.424 0.000 1.048 693 K CA 1.125 57.212 56.287 -0.333 0.000 0.929 693 K CB 0.229 32.429 32.500 -0.499 0.000 0.713 693 K HN 0.016 nan 8.250 nan 0.000 0.439 694 Y N -0.762 119.530 120.300 -0.012 0.000 2.487 694 Y HA 0.395 4.883 4.550 -0.103 0.000 0.337 694 Y C -0.144 175.755 175.900 -0.001 0.000 1.076 694 Y CA -0.963 57.132 58.100 -0.008 0.000 1.115 694 Y CB 2.131 40.588 38.460 -0.005 0.000 1.235 694 Y HN -0.169 nan 8.280 nan 0.000 0.468 695 S N 0.766 116.567 115.700 0.168 0.000 2.541 695 S HA 0.761 5.169 4.470 -0.103 0.000 0.280 695 S C -1.819 172.801 174.600 0.034 0.000 1.112 695 S CA -0.611 57.642 58.200 0.088 0.000 0.925 695 S CB 1.005 64.234 63.200 0.049 0.000 1.067 695 S HN 0.394 nan 8.310 nan 0.000 0.479 696 V N 4.186 124.089 119.914 -0.018 0.000 2.384 696 V HA 0.482 4.540 4.120 -0.103 0.000 0.287 696 V C 0.073 175.977 176.094 -0.316 0.000 1.020 696 V CA -0.668 61.496 62.300 -0.227 0.000 0.850 696 V CB 1.468 33.067 31.823 -0.373 0.000 0.987 696 V HN 0.906 nan 8.190 nan 0.000 0.436 697 E N 4.441 124.453 120.200 -0.313 0.000 2.046 697 E HA 0.177 4.465 4.350 -0.103 0.000 0.279 697 E C -1.164 175.271 176.600 -0.274 0.000 0.989 697 E CA -0.648 55.632 56.400 -0.201 0.000 0.798 697 E CB 0.589 30.226 29.700 -0.105 0.000 1.086 697 E HN 0.698 nan 8.360 nan 0.000 0.399 698 W N 5.737 127.047 121.300 0.016 0.000 2.110 698 W HA 0.160 4.757 4.660 -0.104 0.000 0.450 698 W C 1.447 178.019 176.519 0.089 0.000 0.893 698 W CA -0.362 57.028 57.345 0.074 0.000 1.688 698 W CB 0.362 29.831 29.460 0.015 0.000 1.779 698 W HN 0.569 nan 8.180 nan 0.000 0.300 699 K N 1.127 121.580 120.400 0.089 0.000 2.228 699 K HA -0.071 4.187 4.320 -0.103 0.000 0.202 699 K C -0.343 176.043 176.600 -0.356 0.000 1.051 699 K CA 0.965 57.131 56.287 -0.203 0.000 0.960 699 K CB 0.154 32.384 32.500 -0.450 0.000 0.743 699 K HN 0.230 nan 8.250 nan 0.000 0.458 700 Y N -0.408 119.993 120.300 0.168 0.000 2.499 700 Y HA 0.282 4.771 4.550 -0.103 0.000 0.347 700 Y C -0.436 175.430 175.900 -0.055 0.000 0.987 700 Y CA -1.149 56.980 58.100 0.047 0.000 1.044 700 Y CB 2.225 40.687 38.460 0.004 0.000 1.245 700 Y HN -0.104 nan 8.280 nan 0.000 0.461 701 S N 1.395 116.997 115.700 -0.162 0.000 2.547 701 S HA 0.626 5.034 4.470 -0.103 0.000 0.281 701 S C -1.897 172.463 174.600 -0.399 0.000 1.118 701 S CA -0.791 56.972 58.200 -0.728 0.000 0.947 701 S CB 1.494 63.789 63.200 -1.508 0.000 1.053 701 S HN 0.621 nan 8.310 nan 0.000 0.482 702 Y N 2.361 122.327 120.300 -0.556 0.000 2.331 702 Y HA 0.639 5.125 4.550 -0.105 0.000 0.334 702 Y C -0.320 175.319 175.900 -0.435 0.000 0.960 702 Y CA -0.670 57.180 58.100 -0.416 0.000 1.130 702 Y CB 1.412 39.635 38.460 -0.395 0.000 1.164 702 Y HN 1.097 nan 8.280 nan 0.000 0.458 703 A N 5.568 127.940 122.820 -0.747 0.000 2.309 703 A HA 0.405 4.663 4.320 -0.103 0.000 0.290 703 A C 0.431 177.644 177.584 -0.619 0.000 1.206 703 A CA -0.374 51.322 52.037 -0.567 0.000 0.850 703 A CB 0.619 19.369 19.000 -0.418 0.000 1.118 703 A HN 0.852 nan 8.150 nan 0.000 0.523 704 V N 2.046 121.747 119.914 -0.356 0.000 2.515 704 V HA -0.029 4.029 4.120 -0.103 0.000 0.250 704 V C 0.997 177.081 176.094 -0.017 0.000 1.058 704 V CA 2.440 64.661 62.300 -0.131 0.000 1.064 704 V CB -0.431 31.372 31.823 -0.033 0.000 0.675 704 V HN 1.003 nan 8.190 nan 0.000 0.461 705 D N -2.202 118.166 120.400 -0.054 0.000 3.103 705 D HA 0.214 4.792 4.640 -0.103 0.000 0.337 705 D C -0.377 175.896 176.300 -0.045 0.000 1.356 705 D CA 0.394 54.398 54.000 0.007 0.000 0.951 705 D CB 1.282 42.150 40.800 0.114 0.000 1.438 705 D HN 0.193 nan 8.370 nan 0.000 0.562 706 T N -1.219 113.329 114.554 -0.009 0.000 2.849 706 T HA 0.401 4.689 4.350 -0.103 0.000 0.284 706 T C -1.823 172.869 174.700 -0.012 0.000 1.004 706 T CA -0.946 61.140 62.100 -0.023 0.000 1.021 706 T CB 1.215 70.079 68.868 -0.006 0.000 1.013 706 T HN 0.079 nan 8.240 nan 0.000 0.527 707 P HA -0.136 nan 4.420 nan 0.000 0.217 707 P C 1.424 178.734 177.300 0.017 0.000 1.148 707 P CA 1.104 64.194 63.100 -0.016 0.000 0.834 707 P CB 0.049 31.735 31.700 -0.022 0.000 0.783 708 Q N -2.235 117.587 119.800 0.037 0.000 2.360 708 Q HA 0.147 4.425 4.340 -0.103 0.000 0.202 708 Q C 0.606 176.661 176.000 0.093 0.000 0.915 708 Q CA 0.371 56.212 55.803 0.062 0.000 0.943 708 Q CB -0.170 28.606 28.738 0.063 0.000 1.064 708 Q HN 0.343 nan 8.270 nan 0.000 0.511 709 M N 1.099 120.760 119.600 0.101 0.000 2.219 709 M HA 0.185 4.603 4.480 -0.103 0.000 0.353 709 M C 0.792 177.208 176.300 0.193 0.000 1.304 709 M CA -0.037 55.351 55.300 0.147 0.000 1.115 709 M CB 0.258 32.949 32.600 0.152 0.000 1.664 709 M HN 0.002 nan 8.290 nan 0.000 0.459 710 G N 2.973 111.903 108.800 0.216 0.000 2.491 710 G HA2 0.182 4.080 3.960 -0.103 0.000 0.238 710 G HA3 0.182 4.080 3.960 -0.103 0.000 0.238 710 G C -1.412 173.707 174.900 0.365 0.000 1.277 710 G CA 0.057 45.303 45.100 0.243 0.000 0.851 710 G HN 0.727 nan 8.290 nan 0.000 0.573 711 Y N 1.251 121.653 120.300 0.171 0.000 2.299 711 Y HA 0.403 4.890 4.550 -0.105 0.000 0.318 711 Y C 0.146 176.154 175.900 0.180 0.000 1.205 711 Y CA -0.782 57.466 58.100 0.246 0.000 1.106 711 Y CB 1.023 39.612 38.460 0.214 0.000 1.246 711 Y HN 0.625 nan 8.280 nan 0.000 0.415 712 S N 2.688 118.524 115.700 0.227 0.000 4.150 712 S HA 0.379 4.787 4.470 -0.103 0.000 0.193 712 S C -1.016 173.788 174.600 0.341 0.000 1.010 712 S CA -0.391 57.965 58.200 0.261 0.000 1.650 712 S CB 0.007 63.265 63.200 0.097 0.000 0.823 712 S HN 0.399 nan 8.310 nan 0.000 0.794 713 Y N 2.999 123.346 120.300 0.078 0.000 2.578 713 Y HA 0.424 4.912 4.550 -0.104 0.000 0.339 713 Y C 1.079 177.045 175.900 0.111 0.000 1.231 713 Y CA -0.576 57.587 58.100 0.105 0.000 1.461 713 Y CB 0.147 38.668 38.460 0.103 0.000 1.323 713 Y HN 0.570 nan 8.280 nan 0.000 0.590 714 S N 0.330 116.168 115.700 0.230 0.000 2.625 714 S HA 0.709 5.117 4.470 -0.103 0.000 0.271 714 S C -1.539 173.188 174.600 0.212 0.000 1.161 714 S CA -0.964 57.372 58.200 0.228 0.000 0.820 714 S CB 1.819 65.155 63.200 0.228 0.000 1.137 714 S HN 0.804 nan 8.310 nan 0.000 0.470 715 C N 1.953 121.394 119.300 0.235 0.000 2.832 715 C HA 0.638 5.036 4.460 -0.103 0.000 0.383 715 C C -1.534 173.606 174.990 0.249 0.000 1.046 715 C CA -0.411 58.742 59.018 0.225 0.000 1.242 715 C CB 0.053 27.926 27.740 0.222 0.000 1.693 715 C HN 0.876 nan 8.230 nan 0.000 0.497 716 L N 4.182 125.543 121.223 0.230 0.000 2.399 716 L HA 0.910 5.188 4.340 -0.103 0.000 0.265 716 L C 0.559 177.578 176.870 0.248 0.000 1.089 716 L CA 0.259 55.242 54.840 0.237 0.000 0.802 716 L CB 1.379 43.560 42.059 0.204 0.000 1.180 716 L HN 0.917 nan 8.230 nan 0.000 0.454 717 A N 1.375 124.354 122.820 0.264 0.000 2.540 717 A HA 0.470 4.728 4.320 -0.103 0.000 0.297 717 A C -0.853 176.885 177.584 0.257 0.000 1.056 717 A CA -0.633 51.560 52.037 0.259 0.000 0.700 717 A CB 1.036 20.204 19.000 0.281 0.000 1.280 717 A HN 0.658 nan 8.150 nan 0.000 0.398 718 E N 2.995 123.334 120.200 0.232 0.000 2.152 718 E HA 0.482 4.770 4.350 -0.103 0.000 0.285 718 E C -0.715 175.989 176.600 0.174 0.000 1.043 718 E CA -0.372 56.165 56.400 0.228 0.000 0.839 718 E CB 0.393 30.192 29.700 0.165 0.000 1.069 718 E HN 0.596 nan 8.360 nan 0.000 0.399 719 L N 5.668 127.001 121.223 0.183 0.000 2.466 719 L HA 0.197 4.475 4.340 -0.103 0.000 0.257 719 L C -1.516 175.409 176.870 0.091 0.000 1.189 719 L CA -1.819 53.110 54.840 0.149 0.000 0.813 719 L CB 0.245 42.407 42.059 0.171 0.000 1.118 719 L HN 0.528 nan 8.230 nan 0.000 0.471 720 P HA -0.159 nan 4.420 nan 0.000 0.217 720 P C -0.325 176.993 177.300 0.030 0.000 1.148 720 P CA 1.085 64.204 63.100 0.032 0.000 0.828 720 P CB -0.068 31.642 31.700 0.017 0.000 0.783 721 D N -1.771 118.655 120.400 0.044 0.000 2.440 721 D HA 0.090 4.668 4.640 -0.103 0.000 0.269 721 D C 1.772 178.111 176.300 0.066 0.000 1.249 721 D CA -0.146 53.880 54.000 0.042 0.000 1.055 721 D CB -0.839 39.984 40.800 0.039 0.000 1.104 721 D HN -0.049 nan 8.370 nan 0.000 0.561 722 G N -1.793 107.053 108.800 0.077 0.000 2.534 722 G HA2 -0.136 3.763 3.960 -0.103 0.000 0.217 722 G HA3 -0.136 3.763 3.960 -0.103 0.000 0.217 722 G C 0.633 175.654 174.900 0.203 0.000 1.128 722 G CA 0.164 45.348 45.100 0.140 0.000 0.784 722 G HN 0.459 nan 8.290 nan 0.000 0.542 723 Q N -0.534 119.345 119.800 0.132 0.000 2.540 723 Q HA 0.302 4.580 4.340 -0.103 0.000 0.256 723 Q C -0.676 175.430 176.000 0.177 0.000 1.084 723 Q CA 0.009 55.884 55.803 0.120 0.000 0.956 723 Q CB 1.453 30.230 28.738 0.065 0.000 1.303 723 Q HN 0.034 nan 8.270 nan 0.000 0.509 724 V N 1.460 121.457 119.914 0.139 0.000 2.334 724 V HA 0.385 4.443 4.120 -0.103 0.000 0.281 724 V C 0.356 176.551 176.094 0.169 0.000 1.016 724 V CA -0.581 61.822 62.300 0.170 0.000 0.832 724 V CB 1.185 33.070 31.823 0.103 0.000 0.999 724 V HN 0.840 nan 8.190 nan 0.000 0.439 725 G N 4.352 113.288 108.800 0.227 0.000 2.476 725 G HA2 0.589 4.487 3.960 -0.103 0.000 0.269 725 G HA3 0.589 4.487 3.960 -0.103 0.000 0.269 725 G C -0.918 174.152 174.900 0.283 0.000 1.195 725 G CA -0.371 44.879 45.100 0.249 0.000 0.843 725 G HN 0.601 nan 8.290 nan 0.000 0.545 726 L N 2.235 123.584 121.223 0.211 0.000 2.482 726 L HA 0.467 4.745 4.340 -0.103 0.000 0.269 726 L C -1.606 175.531 176.870 0.445 0.000 0.967 726 L CA -0.900 54.120 54.840 0.301 0.000 0.851 726 L CB 1.899 44.104 42.059 0.243 0.000 1.242 726 L HN 0.449 nan 8.230 nan 0.000 0.404 727 L N 6.881 128.388 121.223 0.473 0.000 2.298 727 L HA 0.587 4.865 4.340 -0.103 0.000 0.284 727 L C -1.093 176.008 176.870 0.386 0.000 1.013 727 L CA -0.136 54.963 54.840 0.431 0.000 0.824 727 L CB 1.142 43.369 42.059 0.280 0.000 1.221 727 L HN 0.498 nan 8.230 nan 0.000 0.418 728 Y N 1.376 121.732 120.300 0.093 0.000 2.655 728 Y HA 0.640 5.127 4.550 -0.106 0.000 0.336 728 Y C -1.047 174.856 175.900 0.005 0.000 1.154 728 Y CA -1.561 56.529 58.100 -0.016 0.000 1.055 728 Y CB 0.921 39.224 38.460 -0.262 0.000 1.295 728 Y HN 0.559 nan 8.280 nan 0.000 0.465 729 E N 1.823 121.973 120.200 -0.084 0.000 2.052 729 E HA 0.179 4.467 4.350 -0.103 0.000 0.283 729 E C -0.788 175.780 176.600 -0.053 0.000 1.071 729 E CA -0.509 55.891 56.400 -0.001 0.000 0.851 729 E CB 0.901 30.714 29.700 0.189 0.000 1.066 729 E HN 0.468 nan 8.360 nan 0.000 0.396 730 K N 4.935 125.248 120.400 -0.146 0.000 2.758 730 K HA 0.077 4.335 4.320 -0.103 0.000 0.250 730 K C -1.356 175.420 176.600 0.293 0.000 1.268 730 K CA -0.088 56.219 56.287 0.034 0.000 1.228 730 K CB -0.116 32.329 32.500 -0.091 0.000 1.715 730 K HN 0.447 nan 8.250 nan 0.000 0.334 731 Y N -2.707 117.642 120.300 0.083 0.000 2.852 731 Y HA 0.282 4.770 4.550 -0.103 0.000 0.350 731 Y C -1.900 174.080 175.900 0.133 0.000 1.272 731 Y CA -1.853 56.306 58.100 0.100 0.000 1.086 731 Y CB 0.585 39.078 38.460 0.056 0.000 1.408 731 Y HN -0.058 nan 8.280 nan 0.000 0.447 732 D N 1.319 121.631 120.400 -0.146 0.000 2.456 732 D HA 0.217 4.795 4.640 -0.103 0.000 0.219 732 D C 0.605 176.595 176.300 -0.516 0.000 1.126 732 D CA 0.453 54.327 54.000 -0.211 0.000 0.890 732 D CB 1.109 41.934 40.800 0.042 0.000 1.025 732 D HN 0.715 nan 8.370 nan 0.000 0.511 733 S N 3.000 118.243 115.700 -0.762 0.000 2.603 733 S HA -0.058 4.350 4.470 -0.103 0.000 0.229 733 S C 1.494 176.042 174.600 -0.087 0.000 0.972 733 S CA -0.381 57.474 58.200 -0.575 0.000 0.935 733 S CB -0.225 62.684 63.200 -0.485 0.000 0.769 733 S HN 0.695 nan 8.310 nan 0.000 0.536 734 W N 1.905 123.095 121.300 -0.183 0.000 2.630 734 W HA 0.339 4.936 4.660 -0.104 0.000 0.275 734 W C 0.640 177.071 176.519 -0.147 0.000 1.192 734 W CA 0.164 57.421 57.345 -0.146 0.000 1.410 734 W CB -0.272 29.111 29.460 -0.128 0.000 1.075 734 W HN 0.350 nan 8.180 nan 0.000 0.581 735 S N 2.382 118.120 115.700 0.063 0.000 2.593 735 S HA -0.064 4.344 4.470 -0.103 0.000 0.300 735 S C 1.188 175.728 174.600 -0.100 0.000 1.267 735 S CA 0.062 58.260 58.200 -0.003 0.000 1.065 735 S CB 0.601 63.837 63.200 0.060 0.000 0.807 735 S HN 0.176 nan 8.310 nan 0.000 0.499 736 R N 3.824 124.251 120.500 -0.122 0.000 2.323 736 R HA 0.043 4.321 4.340 -0.103 0.000 0.198 736 R C 0.778 177.032 176.300 -0.076 0.000 0.988 736 R CA 0.775 56.798 56.100 -0.128 0.000 1.041 736 R CB -0.626 29.605 30.300 -0.115 0.000 0.926 736 R HN 0.732 nan 8.270 nan 0.000 0.476 737 N N 0.176 118.856 118.700 -0.034 0.000 2.254 737 N HA 0.012 4.690 4.740 -0.103 0.000 0.190 737 N C 0.102 175.617 175.510 0.008 0.000 1.107 737 N CA 0.074 53.121 53.050 -0.005 0.000 0.869 737 N CB 0.541 39.042 38.487 0.024 0.000 0.983 737 N HN 0.167 nan 8.380 nan 0.000 0.487 738 E N 0.827 121.036 120.200 0.015 0.000 2.789 738 E HA 0.164 4.452 4.350 -0.103 0.000 0.208 738 E C -0.450 176.177 176.600 0.045 0.000 0.988 738 E CA -0.113 56.340 56.400 0.087 0.000 1.092 738 E CB 0.784 30.622 29.700 0.230 0.000 1.066 738 E HN 0.268 nan 8.360 nan 0.000 0.465 739 L N 0.475 121.590 121.223 -0.179 0.000 2.453 739 L HA 0.215 4.493 4.340 -0.103 0.000 0.261 739 L C 0.295 176.831 176.870 -0.556 0.000 1.179 739 L CA -0.145 54.388 54.840 -0.511 0.000 0.813 739 L CB -0.264 41.208 42.059 -0.979 0.000 1.110 739 L HN 0.377 nan 8.230 nan 0.000 0.466 740 H N 0.146 119.033 119.070 -0.305 0.000 2.748 740 H HA -0.140 4.354 4.556 -0.104 0.000 0.322 740 H C -1.041 174.250 175.328 -0.062 0.000 1.208 740 H CA -0.287 55.502 56.048 -0.432 0.000 1.151 740 H CB -1.802 27.759 29.762 -0.335 0.000 1.505 740 H HN 0.282 nan 8.280 nan 0.000 0.429 741 L N 1.035 122.254 121.223 -0.006 0.000 2.307 741 L HA 0.397 4.675 4.340 -0.103 0.000 0.284 741 L C 0.565 177.491 176.870 0.094 0.000 1.023 741 L CA -0.728 54.118 54.840 0.011 0.000 0.810 741 L CB 1.636 43.568 42.059 -0.211 0.000 1.231 741 L HN 0.189 nan 8.230 nan 0.000 0.423 742 K N 1.713 122.160 120.400 0.077 0.000 2.098 742 K HA 0.247 4.505 4.320 -0.103 0.000 0.261 742 K C -0.667 175.926 176.600 -0.012 0.000 0.987 742 K CA -0.772 55.503 56.287 -0.021 0.000 0.916 742 K CB 0.633 33.072 32.500 -0.102 0.000 1.039 742 K HN 0.492 nan 8.250 nan 0.000 0.455 743 D N 1.481 121.901 120.400 0.034 0.000 2.697 743 D HA -0.144 4.434 4.640 -0.103 0.000 0.238 743 D C 0.220 176.516 176.300 -0.007 0.000 1.152 743 D CA 0.785 54.813 54.000 0.047 0.000 0.666 743 D CB -1.095 39.733 40.800 0.045 0.000 1.037 743 D HN 0.525 nan 8.370 nan 0.000 0.423 744 I N -3.595 116.951 120.570 -0.041 0.000 4.139 744 I HA 0.201 4.309 4.170 -0.103 0.000 0.335 744 I C 0.492 176.558 176.117 -0.085 0.000 1.327 744 I CA -0.237 61.011 61.300 -0.085 0.000 1.112 744 I CB 0.211 38.069 38.000 -0.237 0.000 1.058 744 I HN 0.044 nan 8.210 nan 0.000 0.396 745 L N 3.471 124.670 121.223 -0.039 0.000 2.295 745 L HA 0.512 4.791 4.340 -0.103 0.000 0.288 745 L C -0.370 176.438 176.870 -0.104 0.000 1.079 745 L CA 0.200 55.004 54.840 -0.059 0.000 0.830 745 L CB -0.178 41.904 42.059 0.039 0.000 1.200 745 L HN 0.045 nan 8.230 nan 0.000 0.438 746 K N 4.669 124.930 120.400 -0.231 0.000 2.208 746 K HA 0.440 4.699 4.320 -0.103 0.000 0.247 746 K C -1.120 175.565 176.600 0.143 0.000 0.953 746 K CA -0.556 55.675 56.287 -0.093 0.000 0.837 746 K CB 2.083 34.499 32.500 -0.140 0.000 1.131 746 K HN 0.341 nan 8.250 nan 0.000 0.431 747 F N 1.463 121.440 119.950 0.046 0.000 2.449 747 F HA 0.344 4.809 4.527 -0.104 0.000 0.342 747 F C -0.491 175.428 175.800 0.198 0.000 1.127 747 F CA -0.546 57.521 58.000 0.111 0.000 0.975 747 F CB 1.183 40.165 39.000 -0.030 0.000 1.146 747 F HN 0.494 nan 8.300 nan 0.000 0.444 748 E N 4.582 124.551 120.200 -0.385 0.000 2.369 748 E HA 0.498 4.787 4.350 -0.103 0.000 0.270 748 E C -1.369 174.836 176.600 -0.657 0.000 0.909 748 E CA -1.273 54.902 56.400 -0.375 0.000 0.775 748 E CB 2.708 32.437 29.700 0.048 0.000 1.270 748 E HN 0.475 nan 8.360 nan 0.000 0.445 749 K N 1.421 121.431 120.400 -0.651 0.000 2.422 749 K HA 0.534 4.793 4.320 -0.103 0.000 0.251 749 K C -1.555 174.656 176.600 -0.648 0.000 0.933 749 K CA -0.740 55.265 56.287 -0.469 0.000 0.798 749 K CB 1.631 33.964 32.500 -0.279 0.000 1.238 749 K HN 0.382 nan 8.250 nan 0.000 0.428 750 Y N -0.196 120.018 120.300 -0.143 0.000 2.524 750 Y HA 0.226 4.714 4.550 -0.102 0.000 0.347 750 Y C 0.233 176.027 175.900 -0.176 0.000 1.005 750 Y CA -0.917 57.057 58.100 -0.210 0.000 1.025 750 Y CB 2.275 40.528 38.460 -0.346 0.000 1.275 750 Y HN 0.641 nan 8.280 nan 0.000 0.460 751 S N 1.762 117.442 115.700 -0.033 0.000 2.646 751 S HA 0.369 4.777 4.470 -0.103 0.000 0.276 751 S C 0.777 175.298 174.600 -0.133 0.000 1.222 751 S CA -0.722 57.443 58.200 -0.059 0.000 1.014 751 S CB 0.808 63.976 63.200 -0.053 0.000 0.991 751 S HN 0.579 nan 8.310 nan 0.000 0.533 752 I N 1.544 122.027 120.570 -0.145 0.000 2.361 752 I HA -0.106 4.002 4.170 -0.103 0.000 0.251 752 I C 2.668 178.647 176.117 -0.230 0.000 1.133 752 I CA 1.186 62.344 61.300 -0.237 0.000 1.413 752 I CB -1.852 36.001 38.000 -0.245 0.000 1.073 752 I HN 0.863 nan 8.210 nan 0.000 0.424 753 S N 0.558 116.165 115.700 -0.154 0.000 2.356 753 S HA -0.205 4.203 4.470 -0.103 0.000 0.223 753 S C 1.902 176.414 174.600 -0.146 0.000 1.032 753 S CA 1.526 59.646 58.200 -0.133 0.000 1.005 753 S CB -0.007 63.146 63.200 -0.078 0.000 0.867 753 S HN 0.487 nan 8.310 nan 0.000 0.449 754 E N 0.222 120.332 120.200 -0.150 0.000 2.031 754 E HA -0.113 4.175 4.350 -0.103 0.000 0.193 754 E C 2.064 178.499 176.600 -0.275 0.000 0.994 754 E CA 1.109 57.417 56.400 -0.153 0.000 0.800 754 E CB -0.234 29.372 29.700 -0.158 0.000 0.752 754 E HN 0.301 nan 8.360 nan 0.000 0.447 755 L N 0.870 121.828 121.223 -0.441 0.000 2.127 755 L HA -0.138 4.140 4.340 -0.103 0.000 0.211 755 L C 2.402 179.089 176.870 -0.305 0.000 1.089 755 L CA 1.948 56.501 54.840 -0.478 0.000 0.757 755 L CB -1.155 40.643 42.059 -0.435 0.000 0.899 755 L HN 0.249 nan 8.230 nan 0.000 0.434 756 T N -3.874 110.438 114.554 -0.404 0.000 3.235 756 T HA 0.364 4.652 4.350 -0.103 0.000 0.251 756 T C 1.356 175.910 174.700 -0.244 0.000 1.060 756 T CA 0.236 61.938 62.100 -0.663 0.000 0.949 756 T CB -0.345 67.935 68.868 -0.981 0.000 1.020 756 T HN 0.425 nan 8.240 nan 0.000 0.564 757 G N 1.705 110.463 108.800 -0.071 0.000 2.187 757 G HA2 -0.333 3.565 3.960 -0.103 0.000 0.261 757 G HA3 -0.333 3.565 3.960 -0.103 0.000 0.261 757 G C 0.558 175.451 174.900 -0.010 0.000 1.000 757 G CA 0.488 45.596 45.100 0.012 0.000 0.718 757 G HN 0.598 nan 8.290 nan 0.000 0.519 758 Q N -0.325 119.440 119.800 -0.058 0.000 2.322 758 Q HA 0.469 4.747 4.340 -0.103 0.000 0.203 758 Q C 1.257 177.240 176.000 -0.029 0.000 0.923 758 Q CA 1.267 57.042 55.803 -0.045 0.000 0.949 758 Q CB -0.431 28.259 28.738 -0.080 0.000 1.039 758 Q HN 1.973 nan 8.270 nan 0.000 0.496 759 A N 0.000 122.811 122.820 -0.016 0.000 2.254 759 A HA 0.000 4.258 4.320 -0.103 0.000 0.244 759 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 759 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 759 A HN 0.000 nan 8.150 nan 0.000 0.486