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 1yni_1_C DATA FIRST_RESID 2 DATA SEQUENCE NAWEVNFDGL VGLTHHYAGL SFGNEASTRH RFQVSNPRLA AKQGLLKMKA DATA SEQUENCE LADAGFPQAV IPPHERPFIP VLRQLGFSGS DEQVLEKVAR QAPHWLSSVS DATA SEQUENCE SASPMWVANA ATIAPSADTL DGKVHLTVAN LNNKFHRSLE APVTESLLKA DATA SEQUENCE IFNDEEKFSV HSALPQVALL GDEGAANHNR LGGHYGEPGM QLFVYGREEG DATA SEQUENCE NDTRPSRYPA RQTREASEAV ARLNQVNPQQ VIFAQQNPDV IDQGVFHNDV DATA SEQUENCE IAVSNRQVLF CHQQAFARQS QLLANLRARV NGFMAIEVPA TQVSVSDTVS DATA SEQUENCE TYLFNSQLLS RDDGSMMLVL PQECREHAGV WGYLNELLAA DNPISELKVF DATA SEQUENCE DLRESMANGG GPASLRLRVV LTEEERRAVN PAVMMNDTLF NALNDWVDRY DATA SEQUENCE YRDRLTAADL ADPQLLREGR EALDVLSQLL NLGSVYPFQR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.535 175.510 0.041 0.000 1.280 2 N CA 0.000 53.096 53.050 0.077 0.000 0.885 2 N CB 0.000 38.519 38.487 0.053 0.000 1.341 3 A N 0.593 123.486 122.820 0.121 0.000 2.313 3 A HA 0.997 5.317 4.320 -0.000 0.000 0.323 3 A C -1.062 176.733 177.584 0.352 0.000 1.133 3 A CA -0.591 51.503 52.037 0.095 0.000 0.847 3 A CB 0.952 20.021 19.000 0.115 0.000 1.308 3 A HN 0.673 nan 8.150 nan 0.000 0.475 4 W N -0.174 121.206 121.300 0.134 0.000 2.706 4 W HA 0.536 5.195 4.660 -0.000 0.000 0.346 4 W C 0.071 176.576 176.519 -0.024 0.000 1.071 4 W CA -1.044 56.379 57.345 0.130 0.000 1.206 4 W CB 0.847 30.366 29.460 0.099 0.000 1.413 4 W HN 0.830 nan 8.180 nan 0.000 0.542 5 E N 1.310 121.495 120.200 -0.025 0.000 2.194 5 E HA 0.401 4.751 4.350 -0.000 0.000 0.284 5 E C -1.170 175.455 176.600 0.040 0.000 1.035 5 E CA -0.156 56.082 56.400 -0.271 0.000 0.836 5 E CB 0.975 30.163 29.700 -0.853 0.000 1.070 5 E HN 0.172 nan 8.360 nan 0.000 0.401 6 V N 5.346 125.346 119.914 0.143 0.000 2.398 6 V HA 0.222 4.342 4.120 -0.000 0.000 0.286 6 V C -0.160 176.059 176.094 0.208 0.000 1.026 6 V CA -1.079 61.330 62.300 0.181 0.000 0.868 6 V CB 1.452 33.420 31.823 0.242 0.000 0.982 6 V HN 0.668 nan 8.190 nan 0.000 0.443 7 N N 3.980 122.734 118.700 0.089 0.000 2.422 7 N HA 0.426 5.166 4.740 -0.000 0.000 0.264 7 N C -1.040 174.512 175.510 0.070 0.000 1.063 7 N CA -0.066 53.053 53.050 0.114 0.000 0.959 7 N CB 1.092 39.599 38.487 0.033 0.000 1.087 7 N HN 0.450 nan 8.380 nan 0.000 0.483 8 F N 1.155 121.135 119.950 0.050 0.000 2.375 8 F HA 0.275 4.802 4.527 -0.000 0.000 0.361 8 F C 0.408 176.234 175.800 0.043 0.000 1.117 8 F CA -0.849 57.183 58.000 0.053 0.000 1.037 8 F CB 0.999 40.056 39.000 0.095 0.000 1.192 8 F HN 0.233 nan 8.300 nan 0.000 0.452 9 D N 1.176 121.666 120.400 0.150 0.000 2.229 9 D HA 0.482 5.121 4.640 -0.000 0.000 0.249 9 D C 0.256 176.615 176.300 0.098 0.000 1.027 9 D CA -0.287 53.774 54.000 0.101 0.000 0.923 9 D CB 1.420 42.241 40.800 0.036 0.000 1.174 9 D HN 0.613 nan 8.370 nan 0.000 0.443 10 G N 0.584 109.427 108.800 0.072 0.000 2.339 10 G HA2 0.394 4.354 3.960 -0.000 0.000 0.287 10 G HA3 0.394 4.354 3.960 -0.000 0.000 0.287 10 G C -0.643 174.265 174.900 0.013 0.000 1.163 10 G CA -0.441 44.688 45.100 0.047 0.000 0.872 10 G HN 0.353 nan 8.290 nan 0.000 0.464 11 L N 4.798 126.045 121.223 0.040 0.000 2.342 11 L HA 0.301 4.641 4.340 -0.000 0.000 0.285 11 L C 0.465 177.374 176.870 0.065 0.000 1.095 11 L CA -0.384 54.484 54.840 0.047 0.000 0.843 11 L CB 0.693 42.790 42.059 0.063 0.000 1.201 11 L HN 0.272 nan 8.230 nan 0.000 0.445 12 V N 5.880 125.795 119.914 0.001 0.000 2.625 12 V HA 0.124 4.244 4.120 -0.000 0.000 0.305 12 V C 1.435 177.648 176.094 0.198 0.000 1.055 12 V CA 0.614 62.901 62.300 -0.021 0.000 1.209 12 V CB -0.256 31.488 31.823 -0.131 0.000 0.877 12 V HN 0.976 nan 8.190 nan 0.000 0.489 13 G N 3.750 112.630 108.800 0.134 0.000 2.572 13 G HA2 0.384 4.344 3.960 -0.000 0.000 0.261 13 G HA3 0.384 4.344 3.960 -0.000 0.000 0.261 13 G C 0.547 175.500 174.900 0.088 0.000 1.197 13 G CA -0.811 44.388 45.100 0.165 0.000 0.870 13 G HN 0.642 nan 8.290 nan 0.000 0.548 14 L N 0.521 121.568 121.223 -0.294 0.000 2.362 14 L HA 0.051 4.391 4.340 -0.000 0.000 0.219 14 L C 2.767 179.489 176.870 -0.247 0.000 1.134 14 L CA 1.871 56.332 54.840 -0.633 0.000 0.807 14 L CB -0.803 40.751 42.059 -0.842 0.000 0.927 14 L HN 0.691 nan 8.230 nan 0.000 0.447 15 T N -5.083 109.403 114.554 -0.113 0.000 3.145 15 T HA 0.073 4.423 4.350 -0.000 0.000 0.255 15 T C 0.674 175.417 174.700 0.073 0.000 1.039 15 T CA -0.494 61.570 62.100 -0.059 0.000 0.928 15 T CB -0.941 67.888 68.868 -0.065 0.000 1.029 15 T HN 0.299 nan 8.240 nan 0.000 0.554 16 H N 3.723 122.775 119.070 -0.030 0.000 3.192 16 H HA 0.187 4.743 4.556 -0.000 0.000 0.295 16 H C 0.365 175.649 175.328 -0.073 0.000 0.943 16 H CA 0.852 56.856 56.048 -0.073 0.000 1.416 16 H CB -0.135 29.564 29.762 -0.104 0.000 1.434 16 H HN 0.661 nan 8.280 nan 0.000 0.565 17 H N 3.026 121.614 119.070 -0.804 0.000 2.948 17 H HA 0.181 4.737 4.556 -0.000 0.000 0.315 17 H C -1.658 173.180 175.328 -0.818 0.000 1.360 17 H CA -1.067 54.489 56.048 -0.820 0.000 1.125 17 H CB 0.182 29.722 29.762 -0.370 0.000 1.844 17 H HN 0.613 nan 8.280 nan 0.000 0.529 18 Y N 0.281 120.385 120.300 -0.328 0.000 2.369 18 Y HA 0.581 5.131 4.550 -0.000 0.000 0.337 18 Y C 0.596 176.138 175.900 -0.598 0.000 0.961 18 Y CA -0.313 57.555 58.100 -0.387 0.000 1.186 18 Y CB 1.832 40.165 38.460 -0.212 0.000 1.139 18 Y HN 0.824 nan 8.280 nan 0.000 0.494 19 A N 2.297 124.787 122.820 -0.550 0.000 2.508 19 A HA 0.439 4.759 4.320 -0.000 0.000 0.250 19 A C 1.419 178.667 177.584 -0.561 0.000 1.208 19 A CA 0.137 51.710 52.037 -0.774 0.000 0.960 19 A CB -0.318 18.442 19.000 -0.399 0.000 1.099 19 A HN 1.151 nan 8.150 nan 0.000 0.542 20 G N 0.361 108.946 108.800 -0.358 0.000 2.366 20 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.299 20 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.299 20 G C 0.566 175.372 174.900 -0.156 0.000 1.020 20 G CA 0.680 45.661 45.100 -0.198 0.000 1.026 20 G HN 0.559 nan 8.290 nan 0.000 0.512 21 L N -0.577 120.515 121.223 -0.219 0.000 2.509 21 L HA 0.176 4.516 4.340 -0.000 0.000 0.222 21 L C 1.285 178.138 176.870 -0.029 0.000 1.123 21 L CA 0.630 55.356 54.840 -0.190 0.000 0.856 21 L CB 0.284 42.020 42.059 -0.538 0.000 0.985 21 L HN 0.265 nan 8.230 nan 0.000 0.456 22 S N 0.724 116.384 115.700 -0.068 0.000 2.567 22 S HA 0.254 4.724 4.470 -0.000 0.000 0.262 22 S C -0.343 174.160 174.600 -0.161 0.000 1.237 22 S CA -0.565 57.581 58.200 -0.090 0.000 1.093 22 S CB -0.023 63.024 63.200 -0.255 0.000 1.095 22 S HN 0.104 nan 8.310 nan 0.000 0.489 23 F N 2.868 122.723 119.950 -0.157 0.000 2.578 23 F HA 0.459 4.986 4.527 -0.000 0.000 0.376 23 F C 1.294 176.921 175.800 -0.288 0.000 1.085 23 F CA 1.225 59.134 58.000 -0.152 0.000 1.260 23 F CB 0.100 39.085 39.000 -0.024 0.000 1.095 23 F HN 0.685 nan 8.300 nan 0.000 0.573 24 G N 3.878 111.895 108.800 -1.305 0.000 2.238 24 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 24 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 24 G C -0.122 174.117 174.900 -1.102 0.000 0.996 24 G CA 0.033 44.202 45.100 -1.552 0.000 0.632 24 G HN 0.883 nan 8.290 nan 0.000 0.503 25 N N 1.508 119.666 118.700 -0.904 0.000 2.699 25 N HA 0.367 5.107 4.740 -0.000 0.000 0.232 25 N C 1.233 176.469 175.510 -0.456 0.000 1.027 25 N CA 0.031 52.581 53.050 -0.835 0.000 0.920 25 N CB 0.602 38.360 38.487 -1.216 0.000 1.148 25 N HN 0.501 nan 8.380 nan 0.000 0.509 26 E N 1.748 121.759 120.200 -0.315 0.000 2.118 26 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 26 E C 1.328 177.859 176.600 -0.114 0.000 0.992 26 E CA 1.407 57.695 56.400 -0.186 0.000 0.804 26 E CB 0.046 29.693 29.700 -0.088 0.000 0.741 26 E HN 0.711 nan 8.360 nan 0.000 0.458 27 A N 1.495 124.281 122.820 -0.057 0.000 1.877 27 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 27 A C 2.338 179.950 177.584 0.045 0.000 1.186 27 A CA 1.827 53.880 52.037 0.027 0.000 0.620 27 A CB -0.660 18.351 19.000 0.018 0.000 0.822 27 A HN 0.271 nan 8.150 nan 0.000 0.443 28 S N -0.836 114.824 115.700 -0.066 0.000 2.359 28 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 28 S C 2.029 176.576 174.600 -0.089 0.000 1.035 28 S CA 2.458 60.613 58.200 -0.076 0.000 1.018 28 S CB -0.798 62.295 63.200 -0.179 0.000 0.876 28 S HN 0.554 nan 8.310 nan 0.000 0.448 29 T N 1.808 116.291 114.554 -0.118 0.000 2.821 29 T HA 0.041 4.391 4.350 -0.000 0.000 0.267 29 T C 1.982 176.624 174.700 -0.096 0.000 1.046 29 T CA 1.088 63.138 62.100 -0.083 0.000 1.139 29 T CB -0.228 68.606 68.868 -0.057 0.000 0.871 29 T HN 0.421 nan 8.240 nan 0.000 0.454 30 R N 0.168 120.567 120.500 -0.169 0.000 2.189 30 R HA 0.016 4.356 4.340 -0.000 0.000 0.218 30 R C 1.352 177.398 176.300 -0.424 0.000 1.074 30 R CA 0.793 56.719 56.100 -0.290 0.000 0.991 30 R CB -0.051 30.020 30.300 -0.381 0.000 0.883 30 R HN 0.509 nan 8.270 nan 0.000 0.457 31 H N -0.214 118.759 119.070 -0.161 0.000 2.505 31 H HA 0.215 4.771 4.556 -0.000 0.000 0.289 31 H C 1.132 176.351 175.328 -0.181 0.000 1.052 31 H CA -0.246 55.652 56.048 -0.251 0.000 1.156 31 H CB 0.289 29.738 29.762 -0.522 0.000 1.507 31 H HN 0.113 nan 8.280 nan 0.000 0.548 32 R N 0.287 120.754 120.500 -0.054 0.000 2.344 32 R HA -0.249 4.091 4.340 -0.000 0.000 0.216 32 R C 0.327 176.496 176.300 -0.217 0.000 1.089 32 R CA 2.262 58.308 56.100 -0.090 0.000 0.804 32 R CB -0.306 30.063 30.300 0.116 0.000 0.929 32 R HN 0.166 nan 8.270 nan 0.000 0.393 33 F N 0.965 120.969 119.950 0.089 0.000 2.791 33 F HA 0.162 4.689 4.527 -0.000 0.000 0.308 33 F C 0.346 176.234 175.800 0.146 0.000 1.138 33 F CA -0.634 57.443 58.000 0.127 0.000 1.294 33 F CB 0.277 39.332 39.000 0.091 0.000 0.975 33 F HN 0.186 nan 8.300 nan 0.000 0.512 34 Q N -0.258 119.688 119.800 0.243 0.000 2.492 34 Q HA 0.347 4.687 4.340 -0.000 0.000 0.238 34 Q C -0.019 176.175 176.000 0.323 0.000 1.045 34 Q CA -0.549 55.391 55.803 0.228 0.000 0.934 34 Q CB 0.874 29.686 28.738 0.124 0.000 1.276 34 Q HN 0.031 nan 8.270 nan 0.000 0.521 35 V N 1.905 121.960 119.914 0.235 0.000 2.715 35 V HA 0.177 4.296 4.120 -0.000 0.000 0.299 35 V C 0.348 176.585 176.094 0.238 0.000 1.054 35 V CA 0.011 62.426 62.300 0.191 0.000 1.077 35 V CB 0.868 32.767 31.823 0.126 0.000 0.972 35 V HN 0.939 nan 8.190 nan 0.000 0.484 36 S N 2.721 118.478 115.700 0.096 0.000 2.664 36 S HA 0.516 4.986 4.470 -0.000 0.000 0.304 36 S C -0.514 174.143 174.600 0.095 0.000 1.099 36 S CA -0.888 57.324 58.200 0.021 0.000 1.003 36 S CB 1.414 64.306 63.200 -0.513 0.000 1.092 36 S HN 0.758 nan 8.310 nan 0.000 0.525 37 N N 1.164 119.973 118.700 0.182 0.000 2.776 37 N HA 0.398 5.138 4.740 -0.000 0.000 0.245 37 N C -2.328 173.294 175.510 0.187 0.000 1.121 37 N CA -2.150 50.990 53.050 0.150 0.000 0.852 37 N CB 1.247 39.803 38.487 0.116 0.000 1.142 37 N HN 0.286 nan 8.380 nan 0.000 0.514 38 P HA -0.216 nan 4.420 nan 0.000 0.214 38 P C 1.231 178.665 177.300 0.224 0.000 1.163 38 P CA 1.118 64.365 63.100 0.245 0.000 0.889 38 P CB 0.222 32.047 31.700 0.208 0.000 0.790 39 R N -0.470 120.152 120.500 0.203 0.000 2.096 39 R HA -0.187 4.152 4.340 -0.000 0.000 0.240 39 R C 2.161 178.435 176.300 -0.044 0.000 1.139 39 R CA 1.595 57.727 56.100 0.053 0.000 0.952 39 R CB -1.206 29.127 30.300 0.054 0.000 0.854 39 R HN 0.054 nan 8.270 nan 0.000 0.436 40 L N 0.698 121.922 121.223 0.002 0.000 2.046 40 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 40 L C 2.284 179.128 176.870 -0.044 0.000 1.077 40 L CA 2.187 57.021 54.840 -0.010 0.000 0.747 40 L CB -0.849 41.226 42.059 0.025 0.000 0.896 40 L HN 0.295 nan 8.230 nan 0.000 0.432 41 A N -0.237 122.534 122.820 -0.081 0.000 1.873 41 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 41 A C 2.483 179.970 177.584 -0.162 0.000 1.193 41 A CA 2.465 54.382 52.037 -0.200 0.000 0.629 41 A CB -1.413 17.250 19.000 -0.561 0.000 0.826 41 A HN 0.614 nan 8.150 nan 0.000 0.447 42 A N -0.766 121.957 122.820 -0.163 0.000 1.902 42 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 42 A C 2.120 179.629 177.584 -0.125 0.000 1.181 42 A CA 1.903 53.836 52.037 -0.174 0.000 0.623 42 A CB -0.394 18.380 19.000 -0.376 0.000 0.818 42 A HN 0.386 nan 8.150 nan 0.000 0.443 43 K N -0.128 120.200 120.400 -0.120 0.000 2.032 43 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 43 K C 2.193 178.802 176.600 0.015 0.000 1.048 43 K CA 1.763 58.014 56.287 -0.060 0.000 0.927 43 K CB -0.572 31.895 32.500 -0.055 0.000 0.712 43 K HN 0.717 nan 8.250 nan 0.000 0.441 44 Q N -0.499 119.307 119.800 0.011 0.000 2.030 44 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 44 Q C 2.229 178.265 176.000 0.060 0.000 0.986 44 Q CA 1.729 57.564 55.803 0.053 0.000 0.843 44 Q CB -0.456 28.304 28.738 0.037 0.000 0.904 44 Q HN 0.477 nan 8.270 nan 0.000 0.420 45 G N 0.803 109.610 108.800 0.012 0.000 2.418 45 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 45 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 45 G C 1.390 176.309 174.900 0.032 0.000 1.158 45 G CA 0.601 45.702 45.100 0.001 0.000 0.771 45 G HN 0.178 nan 8.290 nan 0.000 0.545 46 L N -0.147 121.120 121.223 0.073 0.000 2.141 46 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 46 L C 2.857 179.918 176.870 0.318 0.000 1.094 46 L CA 0.331 55.283 54.840 0.186 0.000 0.763 46 L CB -0.280 41.869 42.059 0.150 0.000 0.908 46 L HN 0.194 nan 8.230 nan 0.000 0.437 47 L N -0.272 121.110 121.223 0.265 0.000 2.056 47 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 47 L C 2.726 179.703 176.870 0.178 0.000 1.078 47 L CA 1.328 56.326 54.840 0.264 0.000 0.749 47 L CB -0.474 41.739 42.059 0.257 0.000 0.901 47 L HN 0.248 nan 8.230 nan 0.000 0.433 48 K N 0.223 120.651 120.400 0.047 0.000 2.057 48 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 48 K C 2.175 178.618 176.600 -0.263 0.000 1.049 48 K CA 1.419 57.470 56.287 -0.392 0.000 0.931 48 K CB -0.021 32.132 32.500 -0.578 0.000 0.714 48 K HN 0.194 nan 8.250 nan 0.000 0.440 49 M N 0.598 120.135 119.600 -0.105 0.000 2.067 49 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 49 M C 2.293 178.553 176.300 -0.066 0.000 1.069 49 M CA 1.719 56.979 55.300 -0.066 0.000 1.117 49 M CB -0.312 32.290 32.600 0.003 0.000 1.334 49 M HN -0.029 nan 8.290 nan 0.000 0.407 50 K N 0.844 121.189 120.400 -0.093 0.000 2.063 50 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 50 K C 1.803 178.306 176.600 -0.161 0.000 1.048 50 K CA 1.968 58.082 56.287 -0.289 0.000 0.928 50 K CB -0.608 31.377 32.500 -0.860 0.000 0.713 50 K HN 0.293 nan 8.250 nan 0.000 0.442 51 A N 0.709 123.516 122.820 -0.022 0.000 1.865 51 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 51 A C 2.273 179.943 177.584 0.143 0.000 1.191 51 A CA 1.825 53.935 52.037 0.121 0.000 0.623 51 A CB -0.804 18.457 19.000 0.435 0.000 0.826 51 A HN 0.333 nan 8.150 nan 0.000 0.444 52 L N -0.933 120.360 121.223 0.117 0.000 2.141 52 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 52 L C 3.088 180.091 176.870 0.222 0.000 1.094 52 L CA 0.896 55.864 54.840 0.214 0.000 0.763 52 L CB -0.678 41.402 42.059 0.036 0.000 0.908 52 L HN 0.472 nan 8.230 nan 0.000 0.437 53 A N 0.348 123.205 122.820 0.061 0.000 1.845 53 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 53 A C 1.918 179.485 177.584 -0.029 0.000 1.195 53 A CA 2.006 54.045 52.037 0.003 0.000 0.616 53 A CB -0.623 18.345 19.000 -0.054 0.000 0.832 53 A HN 0.339 nan 8.150 nan 0.000 0.443 54 D N 0.192 120.565 120.400 -0.045 0.000 2.190 54 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 54 D C 1.888 178.153 176.300 -0.057 0.000 0.992 54 D CA 1.475 55.439 54.000 -0.061 0.000 0.854 54 D CB -0.384 40.377 40.800 -0.065 0.000 0.936 54 D HN 0.457 nan 8.370 nan 0.000 0.462 55 A N -0.400 122.417 122.820 -0.004 0.000 2.235 55 A HA 0.358 4.678 4.320 -0.000 0.000 0.208 55 A C 1.765 179.133 177.584 -0.360 0.000 1.172 55 A CA 1.179 53.184 52.037 -0.054 0.000 0.786 55 A CB -0.225 18.906 19.000 0.218 0.000 0.804 55 A HN 0.281 nan 8.150 nan 0.000 0.479 56 G N -2.184 106.428 108.800 -0.314 0.000 2.144 56 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 56 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 56 G C -0.127 174.435 174.900 -0.563 0.000 0.988 56 G CA -0.041 44.788 45.100 -0.452 0.000 0.659 56 G HN 0.390 nan 8.290 nan 0.000 0.522 57 F N 1.271 121.155 119.950 -0.111 0.000 2.361 57 F HA 0.479 5.006 4.527 -0.000 0.000 0.364 57 F C -1.733 174.013 175.800 -0.090 0.000 1.120 57 F CA -2.475 55.463 58.000 -0.103 0.000 1.102 57 F CB 1.436 40.402 39.000 -0.056 0.000 1.183 57 F HN -0.183 nan 8.300 nan 0.000 0.476 58 P HA -0.126 nan 4.420 nan 0.000 0.257 58 P C -0.785 176.520 177.300 0.008 0.000 1.153 58 P CA 0.552 63.686 63.100 0.057 0.000 0.762 58 P CB 0.374 32.180 31.700 0.175 0.000 0.743 59 Q N 2.990 122.751 119.800 -0.064 0.000 2.372 59 Q HA 0.777 5.117 4.340 -0.000 0.000 0.273 59 Q C -1.596 174.247 176.000 -0.262 0.000 1.078 59 Q CA -0.825 54.897 55.803 -0.135 0.000 0.806 59 Q CB 2.031 30.727 28.738 -0.069 0.000 1.332 59 Q HN 0.434 nan 8.270 nan 0.000 0.435 60 A N 1.737 124.314 122.820 -0.406 0.000 2.564 60 A HA 0.888 5.208 4.320 -0.000 0.000 0.288 60 A C -1.350 176.096 177.584 -0.230 0.000 1.164 60 A CA -0.094 51.648 52.037 -0.492 0.000 0.712 60 A CB 1.289 19.558 19.000 -1.217 0.000 1.303 60 A HN 1.182 nan 8.150 nan 0.000 0.418 61 V N -1.276 118.576 119.914 -0.103 0.000 2.914 61 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 61 V C -1.093 175.069 176.094 0.114 0.000 1.084 61 V CA -0.736 61.577 62.300 0.022 0.000 0.963 61 V CB 1.606 33.422 31.823 -0.012 0.000 1.025 61 V HN 0.756 nan 8.190 nan 0.000 0.432 62 I N 5.330 125.980 120.570 0.134 0.000 2.447 62 I HA 0.483 4.653 4.170 -0.000 0.000 0.287 62 I C -2.398 173.788 176.117 0.115 0.000 1.023 62 I CA -2.056 59.331 61.300 0.144 0.000 1.083 62 I CB 2.777 40.885 38.000 0.180 0.000 1.245 62 I HN 0.593 nan 8.210 nan 0.000 0.434 63 P HA 0.202 nan 4.420 nan 0.000 0.272 63 P C -2.664 174.796 177.300 0.266 0.000 1.230 63 P CA -1.104 62.083 63.100 0.146 0.000 0.788 63 P CB 0.074 31.869 31.700 0.158 0.000 0.949 64 P HA 0.179 nan 4.420 nan 0.000 0.275 64 P C -0.166 177.389 177.300 0.424 0.000 1.266 64 P CA 0.019 63.292 63.100 0.289 0.000 0.793 64 P CB 0.790 32.627 31.700 0.228 0.000 1.074 65 H N -1.555 117.555 119.070 0.068 0.000 2.570 65 H HA 0.220 4.776 4.556 -0.000 0.000 0.342 65 H C 0.074 175.344 175.328 -0.097 0.000 1.245 65 H CA -0.852 55.231 56.048 0.058 0.000 1.318 65 H CB 1.069 30.832 29.762 0.002 0.000 1.694 65 H HN 0.468 nan 8.280 nan 0.000 0.592 66 E N 1.822 122.053 120.200 0.053 0.000 2.238 66 E HA 0.003 4.353 4.350 -0.000 0.000 0.264 66 E C -0.716 175.941 176.600 0.095 0.000 1.136 66 E CA -0.209 56.212 56.400 0.035 0.000 0.929 66 E CB 0.182 30.085 29.700 0.339 0.000 1.010 66 E HN 0.283 nan 8.360 nan 0.000 0.440 67 R N 4.711 125.210 120.500 -0.003 0.000 2.564 67 R HA 0.357 4.697 4.340 -0.000 0.000 0.284 67 R C -2.677 173.595 176.300 -0.047 0.000 1.031 67 R CA -2.260 53.854 56.100 0.023 0.000 0.904 67 R CB 1.338 31.640 30.300 0.003 0.000 1.199 67 R HN 0.456 nan 8.270 nan 0.000 0.443 68 P HA 0.097 nan 4.420 nan 0.000 0.269 68 P C -0.578 176.823 177.300 0.168 0.000 1.209 68 P CA -0.233 62.904 63.100 0.061 0.000 0.776 68 P CB 0.343 32.051 31.700 0.013 0.000 0.876 69 F N 3.841 123.806 119.950 0.025 0.000 2.384 69 F HA 0.174 4.701 4.527 0.000 0.000 0.359 69 F C 1.055 176.893 175.800 0.063 0.000 1.143 69 F CA -0.542 57.490 58.000 0.053 0.000 1.216 69 F CB -0.319 38.728 39.000 0.078 0.000 1.512 69 F HN 0.147 nan 8.300 nan 0.000 0.573 70 I N 5.782 126.299 120.570 -0.089 0.000 2.286 70 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 70 I C -0.476 175.532 176.117 -0.183 0.000 1.115 70 I CA 0.776 62.016 61.300 -0.100 0.000 1.392 70 I CB -2.140 35.817 38.000 -0.072 0.000 1.065 70 I HN 0.327 nan 8.210 nan 0.000 0.418 71 P HA -0.162 nan 4.420 nan 0.000 0.216 71 P C 2.294 179.488 177.300 -0.176 0.000 1.153 71 P CA 1.232 64.116 63.100 -0.359 0.000 0.858 71 P CB 0.016 31.331 31.700 -0.641 0.000 0.789 72 V N -0.839 118.997 119.914 -0.131 0.000 2.515 72 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 72 V C 2.019 178.184 176.094 0.118 0.000 1.058 72 V CA 1.502 63.865 62.300 0.106 0.000 1.064 72 V CB -1.037 30.968 31.823 0.304 0.000 0.675 72 V HN -0.006 nan 8.190 nan 0.000 0.461 73 L N -0.444 120.845 121.223 0.110 0.000 2.093 73 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 73 L C 2.857 179.844 176.870 0.194 0.000 1.085 73 L CA 1.639 56.592 54.840 0.188 0.000 0.755 73 L CB -0.630 41.513 42.059 0.140 0.000 0.904 73 L HN 0.242 nan 8.230 nan 0.000 0.435 74 R N -0.155 120.397 120.500 0.087 0.000 2.092 74 R HA -0.187 4.153 4.340 -0.000 0.000 0.231 74 R C 2.219 178.523 176.300 0.007 0.000 1.119 74 R CA 1.197 57.330 56.100 0.054 0.000 0.970 74 R CB -0.284 30.023 30.300 0.011 0.000 0.864 74 R HN 0.425 nan 8.270 nan 0.000 0.440 75 Q N 0.987 120.790 119.800 0.005 0.000 2.291 75 Q HA -0.086 4.254 4.340 -0.000 0.000 0.206 75 Q C 1.391 177.353 176.000 -0.065 0.000 0.976 75 Q CA 0.952 56.747 55.803 -0.014 0.000 0.875 75 Q CB 0.133 28.885 28.738 0.024 0.000 0.927 75 Q HN 0.343 nan 8.270 nan 0.000 0.450 76 L N -0.850 120.326 121.223 -0.078 0.000 2.629 76 L HA 0.243 4.583 4.340 -0.000 0.000 0.230 76 L C 1.023 177.676 176.870 -0.361 0.000 1.151 76 L CA 0.460 55.169 54.840 -0.218 0.000 0.924 76 L CB 0.260 42.170 42.059 -0.247 0.000 1.137 76 L HN 0.515 nan 8.230 nan 0.000 0.457 77 G N -0.359 108.282 108.800 -0.266 0.000 2.176 77 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.232 77 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.232 77 G C 0.077 174.753 174.900 -0.373 0.000 0.986 77 G CA -0.553 44.341 45.100 -0.344 0.000 0.643 77 G HN 0.200 nan 8.290 nan 0.000 0.522 78 F N 1.993 121.918 119.950 -0.041 0.000 2.411 78 F HA 0.699 5.226 4.527 0.000 0.000 0.355 78 F C 0.841 176.630 175.800 -0.019 0.000 1.117 78 F CA -0.017 57.971 58.000 -0.020 0.000 1.139 78 F CB 1.839 40.833 39.000 -0.009 0.000 1.120 78 F HN 0.090 nan 8.300 nan 0.000 0.493 79 S N 2.004 117.795 115.700 0.152 0.000 2.739 79 S HA 0.931 5.401 4.470 -0.000 0.000 0.306 79 S C -0.012 174.630 174.600 0.071 0.000 1.115 79 S CA 0.234 58.482 58.200 0.080 0.000 0.985 79 S CB 1.511 64.733 63.200 0.037 0.000 1.133 79 S HN 1.195 nan 8.310 nan 0.000 0.541 80 G N 1.111 109.936 108.800 0.041 0.000 2.422 80 G HA2 0.032 3.992 3.960 -0.000 0.000 0.607 80 G HA3 0.032 3.992 3.960 -0.000 0.000 0.607 80 G C -0.294 174.618 174.900 0.020 0.000 1.270 80 G CA -0.244 44.873 45.100 0.029 0.000 0.992 80 G HN 1.655 nan 8.290 nan 0.000 0.499 81 S N -0.211 115.496 115.700 0.013 0.000 2.608 81 S HA 0.411 4.881 4.470 -0.000 0.000 0.261 81 S C 1.057 175.658 174.600 0.001 0.000 1.314 81 S CA 0.809 59.012 58.200 0.006 0.000 0.992 81 S CB 1.150 64.352 63.200 0.003 0.000 0.935 81 S HN 0.613 nan 8.310 nan 0.000 0.564 82 D N 1.135 121.533 120.400 -0.005 0.000 2.126 82 D HA -0.160 4.480 4.640 -0.000 0.000 0.190 82 D C 1.906 178.192 176.300 -0.022 0.000 1.001 82 D CA 2.024 56.015 54.000 -0.015 0.000 0.841 82 D CB -0.428 40.360 40.800 -0.021 0.000 0.949 82 D HN 0.799 nan 8.370 nan 0.000 0.446 83 E N 0.347 120.534 120.200 -0.022 0.000 2.110 83 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 83 E C 2.197 178.782 176.600 -0.025 0.000 0.988 83 E CA 0.699 57.082 56.400 -0.028 0.000 0.804 83 E CB -0.161 29.524 29.700 -0.024 0.000 0.745 83 E HN 0.459 nan 8.360 nan 0.000 0.458 84 Q N 0.405 120.197 119.800 -0.013 0.000 2.079 84 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 84 Q C 2.389 178.383 176.000 -0.010 0.000 0.974 84 Q CA 1.142 56.942 55.803 -0.006 0.000 0.840 84 Q CB 0.026 28.769 28.738 0.009 0.000 0.898 84 Q HN 0.113 nan 8.270 nan 0.000 0.430 85 V N 0.732 120.642 119.914 -0.007 0.000 2.358 85 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 85 V C 2.110 178.145 176.094 -0.098 0.000 1.047 85 V CA 1.199 63.489 62.300 -0.016 0.000 1.035 85 V CB -0.409 31.424 31.823 0.017 0.000 0.658 85 V HN 0.290 nan 8.190 nan 0.000 0.452 86 L N 0.060 121.239 121.223 -0.074 0.000 2.042 86 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 86 L C 2.504 179.311 176.870 -0.104 0.000 1.076 86 L CA 2.028 56.815 54.840 -0.088 0.000 0.749 86 L CB -0.774 41.246 42.059 -0.063 0.000 0.893 86 L HN 0.367 nan 8.230 nan 0.000 0.432 87 E N -0.240 119.913 120.200 -0.078 0.000 2.031 87 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 87 E C 2.186 178.733 176.600 -0.088 0.000 0.994 87 E CA 1.425 57.784 56.400 -0.069 0.000 0.800 87 E CB 0.019 29.695 29.700 -0.041 0.000 0.752 87 E HN 0.499 nan 8.360 nan 0.000 0.447 88 K N 0.137 120.485 120.400 -0.087 0.000 2.044 88 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 88 K C 2.292 178.744 176.600 -0.248 0.000 1.049 88 K CA 1.622 57.858 56.287 -0.084 0.000 0.927 88 K CB -0.239 32.276 32.500 0.025 0.000 0.713 88 K HN 0.028 nan 8.250 nan 0.000 0.443 89 V N 1.425 121.033 119.914 -0.509 0.000 2.343 89 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 89 V C 2.392 178.329 176.094 -0.262 0.000 1.051 89 V CA 2.032 63.929 62.300 -0.672 0.000 1.036 89 V CB -0.776 30.665 31.823 -0.635 0.000 0.654 89 V HN 0.393 nan 8.190 nan 0.000 0.451 90 A N 0.008 122.721 122.820 -0.177 0.000 1.908 90 A HA -0.240 4.079 4.320 -0.000 0.000 0.218 90 A C 2.371 179.899 177.584 -0.094 0.000 1.181 90 A CA 2.016 53.985 52.037 -0.113 0.000 0.627 90 A CB -0.431 18.513 19.000 -0.092 0.000 0.818 90 A HN 0.553 nan 8.150 nan 0.000 0.445 91 R N -1.279 119.174 120.500 -0.078 0.000 2.210 91 R HA 0.066 4.406 4.340 -0.000 0.000 0.203 91 R C 2.110 178.402 176.300 -0.014 0.000 1.010 91 R CA 0.990 57.063 56.100 -0.045 0.000 1.008 91 R CB -0.037 30.247 30.300 -0.027 0.000 0.923 91 R HN 0.664 nan 8.270 nan 0.000 0.469 92 Q N -0.624 119.178 119.800 0.004 0.000 2.390 92 Q HA 0.223 4.563 4.340 -0.000 0.000 0.216 92 Q C 0.233 176.321 176.000 0.147 0.000 0.916 92 Q CA 0.598 56.462 55.803 0.102 0.000 0.911 92 Q CB 1.055 29.929 28.738 0.228 0.000 1.035 92 Q HN 0.145 nan 8.270 nan 0.000 0.541 93 A N 1.201 124.091 122.820 0.116 0.000 3.474 93 A HA 0.241 4.560 4.320 -0.000 0.000 0.251 93 A C -2.209 175.427 177.584 0.086 0.000 1.062 93 A CA -0.828 51.339 52.037 0.216 0.000 0.945 93 A CB 0.383 19.787 19.000 0.673 0.000 1.296 93 A HN -0.041 nan 8.150 nan 0.000 0.592 94 P HA -0.234 nan 4.420 nan 0.000 0.220 94 P C 0.792 178.029 177.300 -0.106 0.000 1.144 94 P CA 1.320 64.337 63.100 -0.137 0.000 0.800 94 P CB -0.034 31.526 31.700 -0.233 0.000 0.772 95 H N -2.035 117.010 119.070 -0.041 0.000 2.462 95 H HA -0.025 4.531 4.556 -0.000 0.000 0.292 95 H C 1.934 177.209 175.328 -0.090 0.000 1.049 95 H CA 0.877 56.858 56.048 -0.110 0.000 1.334 95 H CB -0.752 28.849 29.762 -0.268 0.000 1.404 95 H HN 0.357 nan 8.280 nan 0.000 0.544 96 W N 0.697 122.143 121.300 0.243 0.000 2.436 96 W HA -0.004 4.656 4.660 -0.000 0.000 0.284 96 W C 2.436 179.056 176.519 0.169 0.000 1.225 96 W CA -0.092 57.401 57.345 0.246 0.000 1.271 96 W CB -0.369 29.249 29.460 0.262 0.000 1.114 96 W HN 0.059 nan 8.180 nan 0.000 0.559 97 L N -0.336 121.052 121.223 0.275 0.000 2.042 97 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 97 L C 2.605 179.565 176.870 0.151 0.000 1.076 97 L CA 1.445 56.372 54.840 0.146 0.000 0.749 97 L CB -0.662 41.419 42.059 0.037 0.000 0.893 97 L HN -0.079 nan 8.230 nan 0.000 0.432 98 S N -1.159 114.651 115.700 0.184 0.000 2.383 98 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 98 S C 2.037 176.776 174.600 0.231 0.000 1.026 98 S CA 1.435 59.784 58.200 0.249 0.000 0.981 98 S CB 0.004 63.393 63.200 0.315 0.000 0.818 98 S HN 0.445 nan 8.310 nan 0.000 0.472 99 S N 0.801 116.644 115.700 0.239 0.000 2.442 99 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 99 S C 1.589 176.293 174.600 0.173 0.000 1.007 99 S CA 1.212 59.555 58.200 0.238 0.000 0.965 99 S CB -0.053 63.425 63.200 0.464 0.000 0.773 99 S HN 0.631 nan 8.310 nan 0.000 0.504 100 V N -1.978 118.064 119.914 0.213 0.000 3.483 100 V HA 0.430 4.550 4.120 -0.000 0.000 0.301 100 V C 0.490 176.685 176.094 0.167 0.000 1.389 100 V CA 0.029 62.443 62.300 0.191 0.000 1.101 100 V CB 0.438 32.410 31.823 0.249 0.000 0.971 100 V HN 0.213 nan 8.190 nan 0.000 0.434 101 S N 0.296 116.089 115.700 0.156 0.000 2.846 101 S HA 0.307 4.777 4.470 -0.000 0.000 0.249 101 S C 0.612 175.341 174.600 0.216 0.000 1.028 101 S CA 0.357 58.629 58.200 0.119 0.000 1.043 101 S CB 0.412 63.619 63.200 0.012 0.000 0.990 101 S HN 0.661 nan 8.310 nan 0.000 0.564 102 S N 1.689 117.510 115.700 0.202 0.000 2.565 102 S HA 0.579 5.049 4.470 -0.000 0.000 0.274 102 S C 0.814 175.448 174.600 0.057 0.000 1.309 102 S CA -0.349 57.932 58.200 0.135 0.000 1.043 102 S CB 1.117 64.373 63.200 0.094 0.000 0.939 102 S HN 0.389 nan 8.310 nan 0.000 0.504 103 A N 3.610 126.430 122.820 -0.000 0.000 2.411 103 A HA 0.240 4.560 4.320 -0.000 0.000 0.251 103 A C 1.916 179.367 177.584 -0.221 0.000 1.317 103 A CA 0.438 52.427 52.037 -0.081 0.000 0.904 103 A CB -1.036 17.939 19.000 -0.042 0.000 0.993 103 A HN 1.197 nan 8.150 nan 0.000 0.504 104 S N 1.564 117.225 115.700 -0.065 0.000 2.387 104 S HA -0.128 4.342 4.470 -0.000 0.000 0.230 104 S C -0.168 174.441 174.600 0.015 0.000 1.035 104 S CA 1.497 59.763 58.200 0.110 0.000 1.014 104 S CB -1.517 61.955 63.200 0.453 0.000 0.836 104 S HN 0.532 nan 8.310 nan 0.000 0.466 105 P HA -0.133 nan 4.420 nan 0.000 0.229 105 P C 1.762 178.969 177.300 -0.155 0.000 1.150 105 P CA 1.146 64.095 63.100 -0.253 0.000 0.765 105 P CB -0.538 30.633 31.700 -0.882 0.000 0.783 106 M N -3.732 115.700 119.600 -0.280 0.000 2.267 106 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 106 M C 0.601 176.781 176.300 -0.200 0.000 1.063 106 M CA 1.488 56.598 55.300 -0.317 0.000 1.090 106 M CB -0.880 31.365 32.600 -0.593 0.000 1.392 106 M HN -0.160 nan 8.290 nan 0.000 0.422 107 W N 3.718 125.054 121.300 0.061 0.000 1.518 107 W HA 0.318 4.978 4.660 -0.000 0.000 0.426 107 W C 1.350 177.904 176.519 0.058 0.000 0.675 107 W CA -0.607 56.788 57.345 0.083 0.000 1.936 107 W CB -0.677 28.861 29.460 0.130 0.000 1.749 107 W HN 0.195 nan 8.180 nan 0.000 0.247 108 V N 0.148 120.185 119.914 0.204 0.000 3.330 108 V HA -0.171 3.949 4.120 -0.000 0.000 0.273 108 V C 1.901 178.062 176.094 0.113 0.000 1.179 108 V CA 1.826 64.209 62.300 0.140 0.000 1.174 108 V CB -0.976 30.921 31.823 0.124 0.000 0.794 108 V HN 0.250 nan 8.190 nan 0.000 0.527 109 A N 1.198 124.100 122.820 0.136 0.000 2.067 109 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 109 A C 1.777 179.365 177.584 0.006 0.000 1.158 109 A CA 1.875 53.952 52.037 0.067 0.000 0.661 109 A CB -0.763 18.280 19.000 0.072 0.000 0.801 109 A HN 0.699 nan 8.150 nan 0.000 0.452 110 N N -0.645 118.076 118.700 0.035 0.000 2.230 110 N HA 0.347 5.087 4.740 -0.000 0.000 0.202 110 N C 1.343 176.868 175.510 0.025 0.000 1.119 110 N CA 0.550 53.593 53.050 -0.012 0.000 0.851 110 N CB 0.248 38.744 38.487 0.016 0.000 0.990 110 N HN 0.384 nan 8.380 nan 0.000 0.497 111 A N 0.305 123.148 122.820 0.039 0.000 1.898 111 A HA 0.458 4.778 4.320 -0.000 0.000 0.216 111 A C 1.063 178.649 177.584 0.004 0.000 1.181 111 A CA 1.534 53.593 52.037 0.037 0.000 0.620 111 A CB -0.072 18.954 19.000 0.044 0.000 0.819 111 A HN 0.329 nan 8.150 nan 0.000 0.442 112 A N -3.307 119.494 122.820 -0.032 0.000 2.467 112 A HA 0.604 4.924 4.320 -0.000 0.000 0.301 112 A C -0.724 176.804 177.584 -0.094 0.000 1.126 112 A CA 0.022 52.026 52.037 -0.055 0.000 0.632 112 A CB 0.066 19.015 19.000 -0.086 0.000 1.331 112 A HN 0.229 nan 8.150 nan 0.000 0.482 113 T N 1.525 116.011 114.554 -0.113 0.000 2.807 113 T HA 0.600 4.950 4.350 -0.000 0.000 0.279 113 T C -0.465 174.100 174.700 -0.225 0.000 0.993 113 T CA -0.281 61.685 62.100 -0.223 0.000 0.970 113 T CB 0.785 69.530 68.868 -0.204 0.000 0.950 113 T HN 0.453 nan 8.240 nan 0.000 0.441 114 I N 2.296 122.693 120.570 -0.287 0.000 2.460 114 I HA 0.688 4.858 4.170 -0.000 0.000 0.298 114 I C 0.164 176.217 176.117 -0.106 0.000 0.989 114 I CA -1.241 59.952 61.300 -0.178 0.000 1.173 114 I CB 1.287 39.195 38.000 -0.152 0.000 1.338 114 I HN 0.758 nan 8.210 nan 0.000 0.456 115 A N 7.700 130.524 122.820 0.006 0.000 2.410 115 A HA 0.736 5.056 4.320 -0.000 0.000 0.289 115 A C -2.673 174.978 177.584 0.112 0.000 1.200 115 A CA -1.389 50.703 52.037 0.091 0.000 0.751 115 A CB 0.768 19.852 19.000 0.141 0.000 1.161 115 A HN 0.400 nan 8.150 nan 0.000 0.459 116 P HA 0.067 nan 4.420 nan 0.000 0.269 116 P C 1.229 178.596 177.300 0.112 0.000 1.209 116 P CA 0.198 63.362 63.100 0.105 0.000 0.776 116 P CB 0.914 32.681 31.700 0.112 0.000 0.876 117 S N 2.026 117.782 115.700 0.095 0.000 2.440 117 S HA -0.237 4.233 4.470 -0.000 0.000 0.240 117 S C 1.735 176.382 174.600 0.079 0.000 1.014 117 S CA 1.214 59.461 58.200 0.079 0.000 0.980 117 S CB -1.216 62.003 63.200 0.031 0.000 0.775 117 S HN 0.512 nan 8.310 nan 0.000 0.499 118 A N 1.193 124.063 122.820 0.085 0.000 2.168 118 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 118 A C 1.431 179.062 177.584 0.078 0.000 1.152 118 A CA 1.072 53.157 52.037 0.079 0.000 0.716 118 A CB -0.163 18.893 19.000 0.092 0.000 0.794 118 A HN 0.495 nan 8.150 nan 0.000 0.465 119 D N -0.995 119.459 120.400 0.089 0.000 2.474 119 D HA 0.078 4.718 4.640 -0.000 0.000 0.213 119 D C 0.740 177.089 176.300 0.081 0.000 1.120 119 D CA 0.904 54.954 54.000 0.083 0.000 0.836 119 D CB 0.250 41.108 40.800 0.097 0.000 1.019 119 D HN 0.486 nan 8.370 nan 0.000 0.507 120 T N -1.778 112.835 114.554 0.099 0.000 2.928 120 T HA 0.395 4.745 4.350 -0.000 0.000 0.284 120 T C 1.594 176.338 174.700 0.073 0.000 1.008 120 T CA -0.665 61.493 62.100 0.096 0.000 1.057 120 T CB 1.589 70.589 68.868 0.220 0.000 1.018 120 T HN -0.158 nan 8.240 nan 0.000 0.493 121 L N 1.045 122.293 121.223 0.042 0.000 2.093 121 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 121 L C 2.110 179.015 176.870 0.058 0.000 1.085 121 L CA 1.468 56.330 54.840 0.036 0.000 0.755 121 L CB -0.455 41.610 42.059 0.010 0.000 0.904 121 L HN 0.821 nan 8.230 nan 0.000 0.435 122 D N -0.926 119.535 120.400 0.102 0.000 2.349 122 D HA 0.055 4.695 4.640 -0.000 0.000 0.214 122 D C 1.389 177.740 176.300 0.085 0.000 1.063 122 D CA 0.581 54.642 54.000 0.103 0.000 0.847 122 D CB 0.086 40.974 40.800 0.147 0.000 0.933 122 D HN 0.202 nan 8.370 nan 0.000 0.513 123 G N 0.266 109.120 108.800 0.090 0.000 2.168 123 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.257 123 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.257 123 G C 0.144 175.059 174.900 0.026 0.000 0.997 123 G CA 0.493 45.626 45.100 0.055 0.000 0.708 123 G HN 0.486 nan 8.290 nan 0.000 0.520 124 K N -0.894 119.532 120.400 0.043 0.000 2.211 124 K HA 0.660 4.980 4.320 -0.000 0.000 0.237 124 K C 0.113 176.667 176.600 -0.076 0.000 1.002 124 K CA -0.981 55.247 56.287 -0.099 0.000 0.885 124 K CB 2.218 34.572 32.500 -0.244 0.000 1.136 124 K HN -0.011 nan 8.250 nan 0.000 0.448 125 V N 2.872 122.710 119.914 -0.127 0.000 2.432 125 V HA 0.107 4.227 4.120 -0.000 0.000 0.271 125 V C -0.143 175.872 176.094 -0.132 0.000 1.046 125 V CA -0.329 61.972 62.300 0.002 0.000 0.945 125 V CB 0.309 32.245 31.823 0.188 0.000 0.992 125 V HN 0.576 nan 8.190 nan 0.000 0.471 126 H N 5.444 124.529 119.070 0.025 0.000 2.457 126 H HA 0.614 5.170 4.556 -0.000 0.000 0.335 126 H C -1.091 174.200 175.328 -0.063 0.000 1.115 126 H CA -0.622 55.434 56.048 0.012 0.000 1.219 126 H CB 2.150 31.992 29.762 0.135 0.000 1.471 126 H HN 0.367 nan 8.280 nan 0.000 0.491 127 L N 2.491 123.699 121.223 -0.024 0.000 2.404 127 L HA 0.237 4.577 4.340 -0.000 0.000 0.272 127 L C 0.232 177.098 176.870 -0.006 0.000 0.980 127 L CA -0.313 54.458 54.840 -0.115 0.000 0.836 127 L CB 1.933 43.789 42.059 -0.340 0.000 1.238 127 L HN 0.493 nan 8.230 nan 0.000 0.408 128 T N 2.407 116.991 114.554 0.051 0.000 2.756 128 T HA 0.493 4.843 4.350 -0.000 0.000 0.290 128 T C 0.147 174.868 174.700 0.036 0.000 0.985 128 T CA -0.418 61.746 62.100 0.106 0.000 0.955 128 T CB 1.240 70.184 68.868 0.127 0.000 0.930 128 T HN 0.212 nan 8.240 nan 0.000 0.451 129 V N 3.385 123.322 119.914 0.038 0.000 2.673 129 V HA 0.336 4.456 4.120 -0.000 0.000 0.303 129 V C 0.869 176.988 176.094 0.042 0.000 1.046 129 V CA -0.552 61.765 62.300 0.027 0.000 1.126 129 V CB 0.380 32.224 31.823 0.035 0.000 0.934 129 V HN 1.022 nan 8.190 nan 0.000 0.487 130 A N 3.957 126.800 122.820 0.038 0.000 2.328 130 A HA 0.429 4.749 4.320 -0.000 0.000 0.284 130 A C 1.128 178.748 177.584 0.059 0.000 1.160 130 A CA -0.374 51.692 52.037 0.049 0.000 0.818 130 A CB 0.173 19.195 19.000 0.037 0.000 1.087 130 A HN 0.994 nan 8.150 nan 0.000 0.504 131 N N 2.480 121.221 118.700 0.068 0.000 2.331 131 N HA -0.116 4.624 4.740 -0.000 0.000 0.180 131 N C 0.485 176.041 175.510 0.077 0.000 1.019 131 N CA 1.035 54.130 53.050 0.074 0.000 0.881 131 N CB -0.831 37.702 38.487 0.077 0.000 0.972 131 N HN 0.746 nan 8.380 nan 0.000 0.435 132 L N 0.121 121.390 121.223 0.077 0.000 3.742 132 L HA -0.256 4.084 4.340 -0.000 0.000 0.431 132 L C 1.218 178.138 176.870 0.083 0.000 1.220 132 L CA 0.433 55.319 54.840 0.076 0.000 0.863 132 L CB -1.904 40.185 42.059 0.050 0.000 1.751 132 L HN 0.442 nan 8.230 nan 0.000 0.922 133 N N 0.879 119.639 118.700 0.100 0.000 2.309 133 N HA -0.184 4.556 4.740 -0.000 0.000 0.182 133 N C 1.451 177.038 175.510 0.128 0.000 1.018 133 N CA 1.454 54.574 53.050 0.118 0.000 0.876 133 N CB 0.059 38.609 38.487 0.106 0.000 0.972 133 N HN 0.666 nan 8.380 nan 0.000 0.434 134 N N 0.588 119.359 118.700 0.118 0.000 2.120 134 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 134 N C -0.430 175.160 175.510 0.134 0.000 1.024 134 N CA 0.975 54.099 53.050 0.124 0.000 0.852 134 N CB 0.142 38.703 38.487 0.122 0.000 1.003 134 N HN 0.096 nan 8.380 nan 0.000 0.424 135 K N 0.915 121.375 120.400 0.099 0.000 2.265 135 K HA 0.064 4.384 4.320 -0.000 0.000 0.267 135 K C 0.493 177.174 176.600 0.135 0.000 0.994 135 K CA -0.555 55.791 56.287 0.098 0.000 0.860 135 K CB 0.901 33.357 32.500 -0.072 0.000 1.099 135 K HN 0.085 nan 8.250 nan 0.000 0.448 136 F N 4.445 124.478 119.950 0.139 0.000 2.065 136 F HA -0.339 4.188 4.527 -0.000 0.000 0.298 136 F C 2.505 178.415 175.800 0.183 0.000 1.112 136 F CA 1.813 59.924 58.000 0.185 0.000 1.212 136 F CB 0.154 39.327 39.000 0.288 0.000 0.975 136 F HN 0.778 nan 8.300 nan 0.000 0.476 137 H N -0.010 119.011 119.070 -0.082 0.000 2.422 137 H HA -0.111 4.445 4.556 -0.000 0.000 0.298 137 H C 1.850 177.112 175.328 -0.109 0.000 1.098 137 H CA 1.374 57.302 56.048 -0.200 0.000 1.315 137 H CB -0.668 29.074 29.762 -0.032 0.000 1.382 137 H HN 0.277 nan 8.280 nan 0.000 0.523 138 R N 0.984 121.147 120.500 -0.562 0.000 2.127 138 R HA -0.025 4.315 4.340 -0.000 0.000 0.217 138 R C 2.672 178.905 176.300 -0.111 0.000 1.074 138 R CA 1.057 56.964 56.100 -0.322 0.000 0.991 138 R CB -0.436 29.660 30.300 -0.339 0.000 0.895 138 R HN 0.568 nan 8.270 nan 0.000 0.450 139 S N 0.903 116.574 115.700 -0.048 0.000 2.469 139 S HA -0.044 4.426 4.470 -0.000 0.000 0.238 139 S C 1.977 176.609 174.600 0.054 0.000 0.998 139 S CA 0.737 58.972 58.200 0.059 0.000 0.957 139 S CB -0.411 62.898 63.200 0.182 0.000 0.764 139 S HN 0.233 nan 8.310 nan 0.000 0.514 140 L N 0.537 121.742 121.223 -0.029 0.000 2.395 140 L HA 0.095 4.435 4.340 -0.000 0.000 0.218 140 L C 2.576 179.434 176.870 -0.020 0.000 1.130 140 L CA 0.802 55.633 54.840 -0.015 0.000 0.826 140 L CB -0.491 41.509 42.059 -0.098 0.000 0.941 140 L HN 0.374 nan 8.230 nan 0.000 0.451 141 E N 0.749 120.948 120.200 -0.001 0.000 2.072 141 E HA -0.167 4.182 4.350 -0.000 0.000 0.190 141 E C 2.391 179.070 176.600 0.131 0.000 0.982 141 E CA 0.992 57.441 56.400 0.082 0.000 0.803 141 E CB -0.150 29.563 29.700 0.021 0.000 0.755 141 E HN 0.456 nan 8.360 nan 0.000 0.453 142 A N 2.012 124.885 122.820 0.088 0.000 1.906 142 A HA -0.244 4.076 4.320 -0.000 0.000 0.222 142 A C -0.233 177.392 177.584 0.068 0.000 1.282 142 A CA 2.288 54.374 52.037 0.081 0.000 0.675 142 A CB -1.874 17.171 19.000 0.075 0.000 0.838 142 A HN 0.173 nan 8.150 nan 0.000 0.469 143 P HA -0.105 nan 4.420 nan 0.000 0.215 143 P C 1.640 178.946 177.300 0.010 0.000 1.157 143 P CA 1.547 64.680 63.100 0.054 0.000 0.868 143 P CB -0.126 31.630 31.700 0.094 0.000 0.788 144 V N -0.864 119.034 119.914 -0.027 0.000 2.548 144 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 144 V C 2.250 178.224 176.094 -0.200 0.000 1.055 144 V CA 2.276 64.481 62.300 -0.158 0.000 1.065 144 V CB -1.627 30.018 31.823 -0.296 0.000 0.681 144 V HN 0.198 nan 8.190 nan 0.000 0.462 145 T N -0.522 114.009 114.554 -0.038 0.000 2.788 145 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 145 T C 1.852 176.546 174.700 -0.010 0.000 1.044 145 T CA 1.821 63.948 62.100 0.044 0.000 1.139 145 T CB -0.129 68.829 68.868 0.150 0.000 0.867 145 T HN 0.635 nan 8.240 nan 0.000 0.454 146 E N 0.664 120.857 120.200 -0.011 0.000 2.077 146 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 146 E C 2.317 178.889 176.600 -0.046 0.000 0.989 146 E CA 1.193 57.581 56.400 -0.020 0.000 0.800 146 E CB -0.043 29.657 29.700 -0.001 0.000 0.746 146 E HN 0.336 nan 8.360 nan 0.000 0.452 147 S N 0.672 116.328 115.700 -0.073 0.000 2.370 147 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 147 S C 1.945 176.464 174.600 -0.135 0.000 1.033 147 S CA 0.996 59.132 58.200 -0.108 0.000 1.011 147 S CB -0.219 62.891 63.200 -0.150 0.000 0.852 147 S HN 0.268 nan 8.310 nan 0.000 0.457 148 L N 0.831 121.963 121.223 -0.153 0.000 2.056 148 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 148 L C 2.208 179.048 176.870 -0.050 0.000 1.078 148 L CA 0.995 55.754 54.840 -0.135 0.000 0.749 148 L CB -0.511 41.477 42.059 -0.118 0.000 0.901 148 L HN 0.279 nan 8.230 nan 0.000 0.433 149 L N -0.465 120.753 121.223 -0.008 0.000 2.141 149 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 149 L C 2.449 179.374 176.870 0.090 0.000 1.094 149 L CA 1.224 56.110 54.840 0.076 0.000 0.763 149 L CB -0.361 41.687 42.059 -0.019 0.000 0.908 149 L HN 0.210 nan 8.230 nan 0.000 0.437 150 K N -0.223 120.178 120.400 0.002 0.000 2.296 150 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 150 K C 2.034 178.619 176.600 -0.024 0.000 1.048 150 K CA 0.873 57.158 56.287 -0.003 0.000 0.966 150 K CB 0.036 32.522 32.500 -0.024 0.000 0.754 150 K HN 0.239 nan 8.250 nan 0.000 0.466 151 A N 0.483 123.267 122.820 -0.060 0.000 2.072 151 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 151 A C 1.783 179.297 177.584 -0.118 0.000 1.156 151 A CA 0.828 52.811 52.037 -0.089 0.000 0.701 151 A CB -0.010 18.916 19.000 -0.123 0.000 0.816 151 A HN 0.064 nan 8.150 nan 0.000 0.458 152 I N -2.187 118.291 120.570 -0.154 0.000 2.729 152 I HA 0.125 4.295 4.170 -0.000 0.000 0.256 152 I C -0.064 175.703 176.117 -0.583 0.000 1.115 152 I CA 0.699 61.790 61.300 -0.350 0.000 1.446 152 I CB -0.022 37.718 38.000 -0.434 0.000 1.176 152 I HN 0.207 nan 8.210 nan 0.000 0.446 153 F N 0.930 120.676 119.950 -0.340 0.000 2.441 153 F HA 0.267 4.793 4.527 -0.000 0.000 0.337 153 F C 1.341 177.033 175.800 -0.181 0.000 1.182 153 F CA -0.333 57.283 58.000 -0.640 0.000 1.279 153 F CB -0.582 37.833 39.000 -0.974 0.000 1.614 153 F HN -0.037 nan 8.300 nan 0.000 0.574 154 N N 0.475 119.206 118.700 0.051 0.000 2.416 154 N HA -0.134 4.606 4.740 -0.000 0.000 0.177 154 N C 0.407 176.034 175.510 0.196 0.000 1.036 154 N CA 0.426 53.539 53.050 0.106 0.000 0.901 154 N CB 0.057 38.560 38.487 0.028 0.000 0.976 154 N HN 0.184 nan 8.380 nan 0.000 0.444 155 D N 1.013 121.630 120.400 0.362 0.000 2.398 155 D HA -0.057 4.583 4.640 -0.000 0.000 0.250 155 D C 0.675 177.054 176.300 0.132 0.000 1.287 155 D CA 0.136 54.261 54.000 0.207 0.000 0.992 155 D CB 0.201 41.077 40.800 0.127 0.000 1.071 155 D HN 0.330 nan 8.370 nan 0.000 0.514 156 E N 2.249 122.493 120.200 0.074 0.000 2.333 156 E HA -0.203 4.147 4.350 -0.000 0.000 0.200 156 E C 0.873 177.441 176.600 -0.053 0.000 1.010 156 E CA 1.107 57.520 56.400 0.022 0.000 0.841 156 E CB 0.319 30.026 29.700 0.011 0.000 0.757 156 E HN 0.555 nan 8.360 nan 0.000 0.508 157 E N -0.533 119.615 120.200 -0.086 0.000 2.435 157 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 157 E C 1.337 177.808 176.600 -0.216 0.000 1.029 157 E CA 0.501 56.830 56.400 -0.119 0.000 0.865 157 E CB 0.295 29.940 29.700 -0.092 0.000 0.833 157 E HN 0.176 nan 8.360 nan 0.000 0.510 158 K N -0.459 119.714 120.400 -0.378 0.000 2.474 158 K HA 0.190 4.510 4.320 -0.000 0.000 0.204 158 K C -0.161 175.954 176.600 -0.808 0.000 1.220 158 K CA 0.059 55.945 56.287 -0.669 0.000 0.966 158 K CB 0.924 32.849 32.500 -0.958 0.000 1.049 158 K HN -0.083 nan 8.250 nan 0.000 0.554 159 F N 0.595 120.493 119.950 -0.086 0.000 2.540 159 F HA 0.360 4.887 4.527 -0.000 0.000 0.317 159 F C -0.270 175.396 175.800 -0.223 0.000 1.104 159 F CA -1.147 56.768 58.000 -0.142 0.000 0.913 159 F CB 2.242 41.230 39.000 -0.020 0.000 1.170 159 F HN -0.335 nan 8.300 nan 0.000 0.450 160 S N 2.105 117.691 115.700 -0.191 0.000 2.718 160 S HA 0.473 4.943 4.470 -0.000 0.000 0.294 160 S C -0.741 173.594 174.600 -0.442 0.000 1.157 160 S CA -0.682 57.313 58.200 -0.341 0.000 1.121 160 S CB 1.258 64.148 63.200 -0.517 0.000 1.015 160 S HN 0.326 nan 8.310 nan 0.000 0.479 161 V N 5.523 125.236 119.914 -0.335 0.000 2.383 161 V HA 0.322 4.442 4.120 -0.000 0.000 0.275 161 V C -0.030 175.869 176.094 -0.324 0.000 1.036 161 V CA -0.492 61.633 62.300 -0.292 0.000 0.889 161 V CB 0.310 32.046 31.823 -0.146 0.000 0.985 161 V HN 0.766 nan 8.190 nan 0.000 0.459 162 H N 2.040 121.124 119.070 0.025 0.000 2.479 162 H HA 0.459 5.015 4.556 -0.000 0.000 0.335 162 H C 0.167 175.507 175.328 0.020 0.000 1.142 162 H CA -0.552 55.516 56.048 0.035 0.000 1.234 162 H CB 1.793 31.585 29.762 0.050 0.000 1.503 162 H HN 0.562 nan 8.280 nan 0.000 0.510 163 S N 0.697 116.485 115.700 0.148 0.000 2.593 163 S HA 0.324 4.794 4.470 -0.000 0.000 0.269 163 S C 0.613 175.265 174.600 0.088 0.000 1.334 163 S CA -0.645 57.609 58.200 0.090 0.000 1.015 163 S CB 0.818 64.062 63.200 0.074 0.000 0.912 163 S HN 0.765 nan 8.310 nan 0.000 0.541 164 A N 1.863 124.725 122.820 0.070 0.000 2.448 164 A HA 0.368 4.688 4.320 -0.000 0.000 0.239 164 A C 0.353 177.972 177.584 0.059 0.000 1.080 164 A CA -0.352 51.725 52.037 0.065 0.000 0.779 164 A CB -0.220 18.819 19.000 0.065 0.000 1.026 164 A HN 0.772 nan 8.150 nan 0.000 0.499 165 L N 1.227 122.482 121.223 0.054 0.000 2.479 165 L HA 0.159 4.499 4.340 -0.000 0.000 0.270 165 L C -1.808 175.090 176.870 0.046 0.000 1.236 165 L CA -1.369 53.496 54.840 0.043 0.000 0.823 165 L CB -0.170 41.913 42.059 0.040 0.000 1.098 165 L HN 0.463 nan 8.230 nan 0.000 0.500 166 P HA -0.058 nan 4.420 nan 0.000 0.265 166 P C -1.023 176.307 177.300 0.050 0.000 1.187 166 P CA 0.039 63.163 63.100 0.040 0.000 0.766 166 P CB 0.290 32.007 31.700 0.028 0.000 0.820 167 Q N 2.050 121.886 119.800 0.059 0.000 2.837 167 Q HA 0.228 4.567 4.340 -0.000 0.000 0.235 167 Q C -0.281 175.757 176.000 0.065 0.000 1.348 167 Q CA 0.100 55.947 55.803 0.073 0.000 0.990 167 Q CB -0.238 28.555 28.738 0.090 0.000 1.570 167 Q HN 0.256 nan 8.270 nan 0.000 0.575 168 V N -2.988 116.961 119.914 0.058 0.000 2.971 168 V HA 0.646 4.765 4.120 -0.000 0.000 0.309 168 V C 0.906 177.032 176.094 0.054 0.000 1.130 168 V CA -0.619 61.711 62.300 0.050 0.000 0.964 168 V CB 1.467 33.311 31.823 0.035 0.000 1.029 168 V HN 0.340 nan 8.190 nan 0.000 0.427 169 A N 2.069 124.922 122.820 0.055 0.000 1.986 169 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 169 A C 1.752 179.365 177.584 0.049 0.000 1.171 169 A CA 2.385 54.459 52.037 0.060 0.000 0.640 169 A CB -0.663 18.372 19.000 0.059 0.000 0.811 169 A HN 1.232 nan 8.150 nan 0.000 0.451 170 L N -1.130 120.113 121.223 0.033 0.000 2.187 170 L HA -0.018 4.322 4.340 -0.000 0.000 0.213 170 L C 1.158 178.036 176.870 0.014 0.000 1.100 170 L CA 1.502 56.352 54.840 0.017 0.000 0.765 170 L CB -0.089 41.973 42.059 0.005 0.000 0.904 170 L HN 0.407 nan 8.230 nan 0.000 0.437 171 L N -0.597 120.643 121.223 0.028 0.000 3.209 171 L HA 0.368 4.708 4.340 -0.000 0.000 0.279 171 L C 0.737 177.641 176.870 0.057 0.000 1.301 171 L CA -0.500 54.359 54.840 0.031 0.000 1.004 171 L CB -0.034 42.039 42.059 0.023 0.000 1.402 171 L HN 0.084 nan 8.230 nan 0.000 0.577 172 G N 0.199 109.042 108.800 0.071 0.000 2.254 172 G HA2 0.165 4.124 3.960 -0.000 0.000 0.253 172 G HA3 0.165 4.124 3.960 -0.000 0.000 0.253 172 G C -0.850 174.114 174.900 0.108 0.000 1.246 172 G CA 0.223 45.380 45.100 0.094 0.000 0.946 172 G HN 0.242 nan 8.290 nan 0.000 0.474 173 D N 1.214 121.678 120.400 0.106 0.000 2.629 173 D HA 0.288 4.927 4.640 -0.000 0.000 0.250 173 D C 0.483 176.841 176.300 0.097 0.000 1.126 173 D CA -0.646 53.421 54.000 0.112 0.000 0.852 173 D CB 1.434 42.294 40.800 0.099 0.000 1.335 173 D HN 0.247 nan 8.370 nan 0.000 0.518 174 E N 2.356 122.609 120.200 0.088 0.000 2.548 174 E HA 0.310 4.659 4.350 -0.000 0.000 0.206 174 E C 1.110 177.680 176.600 -0.050 0.000 1.005 174 E CA 0.011 56.424 56.400 0.022 0.000 0.951 174 E CB 0.534 30.237 29.700 0.006 0.000 1.035 174 E HN 0.788 nan 8.360 nan 0.000 0.470 175 G N 1.798 110.601 108.800 0.004 0.000 2.569 175 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.259 175 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.259 175 G C 1.105 175.974 174.900 -0.051 0.000 1.263 175 G CA 0.559 45.645 45.100 -0.023 0.000 0.928 175 G HN 0.347 nan 8.290 nan 0.000 0.572 176 A N -0.753 122.022 122.820 -0.075 0.000 1.997 176 A HA 0.114 4.433 4.320 -0.000 0.000 0.221 176 A C 3.045 180.612 177.584 -0.030 0.000 1.172 176 A CA 3.787 55.792 52.037 -0.054 0.000 0.645 176 A CB -1.098 17.875 19.000 -0.045 0.000 0.813 176 A HN 2.479 nan 8.150 nan 0.000 0.454 177 A N -0.588 122.174 122.820 -0.096 0.000 2.084 177 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 177 A C 1.585 179.115 177.584 -0.089 0.000 1.161 177 A CA 1.771 53.721 52.037 -0.145 0.000 0.653 177 A CB -0.618 18.142 19.000 -0.401 0.000 0.802 177 A HN 0.732 nan 8.150 nan 0.000 0.457 178 N N -1.938 116.740 118.700 -0.036 0.000 2.204 178 N HA 0.103 4.843 4.740 -0.000 0.000 0.219 178 N C 0.004 175.546 175.510 0.053 0.000 1.151 178 N CA -0.138 52.933 53.050 0.035 0.000 0.867 178 N CB 0.323 38.868 38.487 0.097 0.000 1.043 178 N HN 0.581 nan 8.380 nan 0.000 0.516 179 H N 0.535 119.523 119.070 -0.136 0.000 2.567 179 H HA 0.446 5.002 4.556 -0.000 0.000 0.345 179 H C -0.902 174.320 175.328 -0.177 0.000 1.169 179 H CA -0.325 55.557 56.048 -0.278 0.000 1.227 179 H CB 1.076 30.620 29.762 -0.364 0.000 1.607 179 H HN 0.075 nan 8.280 nan 0.000 0.534 180 N N 1.928 120.248 118.700 -0.633 0.000 2.484 180 N HA 0.200 4.940 4.740 -0.000 0.000 0.269 180 N C -1.364 173.878 175.510 -0.447 0.000 1.237 180 N CA -0.681 52.162 53.050 -0.346 0.000 0.838 180 N CB 3.019 41.395 38.487 -0.186 0.000 1.593 180 N HN 0.538 nan 8.380 nan 0.000 0.485 181 R N 1.676 122.074 120.500 -0.170 0.000 2.518 181 R HA 0.494 4.834 4.340 -0.000 0.000 0.296 181 R C -1.633 174.676 176.300 0.015 0.000 1.080 181 R CA -0.377 55.668 56.100 -0.091 0.000 0.922 181 R CB 0.845 31.147 30.300 0.004 0.000 1.184 181 R HN 0.502 nan 8.270 nan 0.000 0.445 182 L N 3.651 124.870 121.223 -0.006 0.000 2.346 182 L HA 0.890 5.230 4.340 -0.000 0.000 0.274 182 L C 0.416 177.309 176.870 0.039 0.000 1.007 182 L CA -0.561 54.306 54.840 0.045 0.000 0.818 182 L CB 2.289 44.372 42.059 0.040 0.000 1.284 182 L HN 0.916 nan 8.230 nan 0.000 0.424 183 G N 0.691 109.526 108.800 0.060 0.000 2.325 183 G HA2 0.412 4.372 3.960 -0.000 0.000 0.295 183 G HA3 0.412 4.372 3.960 -0.000 0.000 0.295 183 G C -0.324 174.583 174.900 0.012 0.000 1.274 183 G CA -0.061 45.060 45.100 0.035 0.000 0.857 183 G HN 0.771 nan 8.290 nan 0.000 0.499 184 G N -1.238 107.545 108.800 -0.029 0.000 3.078 184 G HA2 0.398 4.357 3.960 -0.000 0.000 0.163 184 G HA3 0.398 4.357 3.960 -0.000 0.000 0.163 184 G C 0.116 174.977 174.900 -0.066 0.000 1.894 184 G CA -0.120 44.912 45.100 -0.113 0.000 0.951 184 G HN 0.770 nan 8.290 nan 0.000 0.446 185 H N -0.531 118.520 119.070 -0.033 0.000 2.683 185 H HA 0.166 4.721 4.556 -0.000 0.000 0.339 185 H C 0.964 176.319 175.328 0.044 0.000 1.081 185 H CA -0.437 55.580 56.048 -0.052 0.000 1.432 185 H CB 1.031 30.804 29.762 0.018 0.000 1.462 185 H HN 0.452 nan 8.280 nan 0.000 0.557 186 Y N 1.988 122.428 120.300 0.233 0.000 2.133 186 Y HA -0.323 4.227 4.550 -0.000 0.000 0.279 186 Y C 2.652 178.648 175.900 0.160 0.000 1.209 186 Y CA 0.670 58.877 58.100 0.179 0.000 1.152 186 Y CB -0.231 38.345 38.460 0.193 0.000 0.961 186 Y HN 0.860 nan 8.280 nan 0.000 0.512 187 G N -0.321 108.679 108.800 0.333 0.000 2.509 187 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.218 187 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.218 187 G C 0.284 175.283 174.900 0.165 0.000 1.124 187 G CA 0.218 45.450 45.100 0.220 0.000 0.776 187 G HN 0.364 nan 8.290 nan 0.000 0.547 188 E N 0.563 120.861 120.200 0.163 0.000 2.349 188 E HA 0.269 4.619 4.350 -0.000 0.000 0.262 188 E C -2.452 174.205 176.600 0.094 0.000 1.088 188 E CA -2.049 54.413 56.400 0.105 0.000 0.899 188 E CB 0.627 30.367 29.700 0.067 0.000 1.044 188 E HN -0.023 nan 8.360 nan 0.000 0.420 189 P HA 0.017 nan 4.420 nan 0.000 0.264 189 P C -0.520 176.813 177.300 0.055 0.000 1.193 189 P CA 0.300 63.437 63.100 0.061 0.000 0.763 189 P CB 0.648 32.374 31.700 0.043 0.000 0.810 190 G N 2.000 110.838 108.800 0.063 0.000 2.597 190 G HA2 0.616 4.576 3.960 -0.000 0.000 0.317 190 G HA3 0.616 4.576 3.960 -0.000 0.000 0.317 190 G C -1.272 173.639 174.900 0.018 0.000 1.230 190 G CA -0.594 44.536 45.100 0.049 0.000 0.996 190 G HN 0.350 nan 8.290 nan 0.000 0.490 191 M N 0.849 120.441 119.600 -0.013 0.000 2.088 191 M HA 0.339 4.819 4.480 -0.000 0.000 0.346 191 M C -0.116 176.128 176.300 -0.094 0.000 1.111 191 M CA -0.323 54.945 55.300 -0.053 0.000 1.017 191 M CB 1.248 33.796 32.600 -0.086 0.000 1.568 191 M HN 0.442 nan 8.290 nan 0.000 0.445 192 Q N 3.412 123.157 119.800 -0.093 0.000 2.274 192 Q HA 0.490 4.830 4.340 -0.000 0.000 0.256 192 Q C -1.289 174.559 176.000 -0.252 0.000 0.927 192 Q CA -0.689 54.981 55.803 -0.222 0.000 0.939 192 Q CB 1.742 30.451 28.738 -0.048 0.000 1.201 192 Q HN 0.596 nan 8.270 nan 0.000 0.426 193 L N 3.723 124.696 121.223 -0.417 0.000 2.294 193 L HA 0.444 4.784 4.340 -0.000 0.000 0.283 193 L C -1.637 175.063 176.870 -0.282 0.000 1.015 193 L CA -0.232 54.446 54.840 -0.270 0.000 0.831 193 L CB 0.413 42.325 42.059 -0.243 0.000 1.217 193 L HN 0.402 nan 8.230 nan 0.000 0.420 194 F N 4.972 124.801 119.950 -0.201 0.000 2.404 194 F HA 0.460 4.987 4.527 -0.000 0.000 0.358 194 F C 0.253 176.133 175.800 0.134 0.000 1.120 194 F CA -0.401 57.614 58.000 0.025 0.000 1.144 194 F CB 1.300 40.353 39.000 0.088 0.000 1.133 194 F HN 0.132 nan 8.300 nan 0.000 0.495 195 V N 5.276 125.352 119.914 0.269 0.000 2.427 195 V HA 0.385 4.505 4.120 -0.000 0.000 0.286 195 V C -0.559 175.679 176.094 0.239 0.000 1.034 195 V CA -0.852 61.565 62.300 0.194 0.000 0.893 195 V CB 0.799 32.727 31.823 0.174 0.000 0.982 195 V HN 0.604 nan 8.190 nan 0.000 0.452 196 Y N 1.571 122.004 120.300 0.222 0.000 2.602 196 Y HA 0.853 5.403 4.550 -0.000 0.000 0.342 196 Y C 0.865 176.842 175.900 0.129 0.000 1.029 196 Y CA -0.830 57.376 58.100 0.177 0.000 1.080 196 Y CB 1.698 40.263 38.460 0.175 0.000 1.284 196 Y HN 0.494 nan 8.280 nan 0.000 0.485 197 G N 0.744 109.739 108.800 0.325 0.000 2.608 197 G HA2 0.253 4.213 3.960 -0.000 0.000 0.210 197 G HA3 0.253 4.213 3.960 -0.000 0.000 0.210 197 G C -0.004 175.065 174.900 0.282 0.000 1.139 197 G CA -0.096 45.129 45.100 0.209 0.000 0.812 197 G HN 0.778 nan 8.290 nan 0.000 0.529 198 R N -0.864 119.857 120.500 0.368 0.000 2.734 198 R HA 0.742 5.082 4.340 -0.000 0.000 0.271 198 R C -1.834 174.528 176.300 0.104 0.000 1.021 198 R CA -0.899 55.344 56.100 0.239 0.000 0.893 198 R CB 1.509 31.891 30.300 0.137 0.000 1.244 198 R HN 0.056 nan 8.270 nan 0.000 0.464 199 E N 0.962 121.173 120.200 0.018 0.000 2.372 199 E HA 0.165 4.515 4.350 -0.000 0.000 0.279 199 E C -1.209 175.358 176.600 -0.055 0.000 0.946 199 E CA -0.644 55.687 56.400 -0.116 0.000 0.769 199 E CB 2.512 32.071 29.700 -0.235 0.000 1.230 199 E HN 0.616 nan 8.360 nan 0.000 0.442 200 E N 0.790 120.948 120.200 -0.070 0.000 2.413 200 E HA 0.200 4.550 4.350 -0.000 0.000 0.263 200 E C 0.583 177.159 176.600 -0.040 0.000 1.015 200 E CA 1.356 57.730 56.400 -0.043 0.000 0.916 200 E CB 0.636 30.307 29.700 -0.048 0.000 0.947 200 E HN 0.844 nan 8.360 nan 0.000 0.440 201 G N 3.175 111.962 108.800 -0.020 0.000 2.179 201 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G C 0.158 175.055 174.900 -0.005 0.000 0.977 201 G CA 0.178 45.269 45.100 -0.016 0.000 0.641 201 G HN 0.528 nan 8.290 nan 0.000 0.533 202 N N 0.959 119.661 118.700 0.004 0.000 2.424 202 N HA 0.419 5.159 4.740 -0.000 0.000 0.271 202 N C 0.906 176.435 175.510 0.033 0.000 0.985 202 N CA 0.134 53.199 53.050 0.025 0.000 0.921 202 N CB 1.307 39.820 38.487 0.044 0.000 1.149 202 N HN 0.236 nan 8.380 nan 0.000 0.492 203 D N 0.523 120.941 120.400 0.030 0.000 2.347 203 D HA -0.035 4.605 4.640 -0.000 0.000 0.215 203 D C -0.031 176.291 176.300 0.036 0.000 0.976 203 D CA 0.588 54.605 54.000 0.028 0.000 0.884 203 D CB -0.194 40.618 40.800 0.021 0.000 0.915 203 D HN 0.270 nan 8.370 nan 0.000 0.526 204 T N 1.689 116.271 114.554 0.047 0.000 2.743 204 T HA 0.380 4.730 4.350 -0.000 0.000 0.290 204 T C 0.143 174.883 174.700 0.067 0.000 0.908 204 T CA -0.469 61.662 62.100 0.052 0.000 1.092 204 T CB 0.009 68.914 68.868 0.061 0.000 0.882 204 T HN 0.360 nan 8.240 nan 0.000 0.531 205 R N 2.364 122.896 120.500 0.054 0.000 2.739 205 R HA 0.443 4.783 4.340 -0.000 0.000 0.266 205 R C -3.392 172.936 176.300 0.047 0.000 1.044 205 R CA -1.905 54.233 56.100 0.064 0.000 0.885 205 R CB 0.293 30.636 30.300 0.072 0.000 1.260 205 R HN 0.213 nan 8.270 nan 0.000 0.477 206 P HA -0.035 nan 4.420 nan 0.000 0.268 206 P C -0.006 177.319 177.300 0.042 0.000 1.208 206 P CA -0.080 63.045 63.100 0.042 0.000 0.777 206 P CB 1.051 32.791 31.700 0.067 0.000 0.875 207 S N 0.371 116.081 115.700 0.017 0.000 2.666 207 S HA 0.162 4.632 4.470 -0.000 0.000 0.239 207 S C 1.473 176.078 174.600 0.009 0.000 1.031 207 S CA -0.510 57.701 58.200 0.018 0.000 1.015 207 S CB 0.241 63.443 63.200 0.003 0.000 0.981 207 S HN 0.477 nan 8.310 nan 0.000 0.547 208 R N -0.181 120.301 120.500 -0.031 0.000 2.191 208 R HA 0.381 4.721 4.340 -0.000 0.000 0.187 208 R C -0.517 175.800 176.300 0.029 0.000 1.078 208 R CA 0.133 56.173 56.100 -0.101 0.000 1.139 208 R CB 0.301 30.376 30.300 -0.375 0.000 1.120 208 R HN 0.440 nan 8.270 nan 0.000 0.536 209 Y N 2.308 122.628 120.300 0.033 0.000 2.419 209 Y HA 0.427 4.977 4.550 -0.000 0.000 0.328 209 Y C -1.916 174.015 175.900 0.053 0.000 1.162 209 Y CA -2.994 55.074 58.100 -0.054 0.000 1.174 209 Y CB 1.417 39.750 38.460 -0.211 0.000 1.228 209 Y HN 0.200 nan 8.280 nan 0.000 0.473 210 P HA 0.132 nan 4.420 nan 0.000 0.274 210 P C -1.289 176.101 177.300 0.150 0.000 1.231 210 P CA -0.347 62.871 63.100 0.197 0.000 0.790 210 P CB 1.167 32.990 31.700 0.205 0.000 0.951 211 A N 3.597 126.500 122.820 0.139 0.000 2.341 211 A HA 0.244 4.564 4.320 -0.000 0.000 0.326 211 A C 1.424 179.097 177.584 0.148 0.000 1.402 211 A CA -0.672 51.447 52.037 0.137 0.000 0.957 211 A CB -0.181 18.901 19.000 0.135 0.000 1.151 211 A HN 0.434 nan 8.150 nan 0.000 0.533 212 R N 0.762 121.359 120.500 0.162 0.000 2.115 212 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 212 R C 0.591 176.995 176.300 0.173 0.000 1.111 212 R CA 0.965 57.168 56.100 0.172 0.000 0.976 212 R CB 0.030 30.459 30.300 0.214 0.000 0.870 212 R HN 0.747 nan 8.270 nan 0.000 0.445 213 Q N 1.455 121.371 119.800 0.193 0.000 2.257 213 Q HA 0.107 4.447 4.340 -0.000 0.000 0.255 213 Q C -0.893 175.236 176.000 0.216 0.000 0.920 213 Q CA -0.270 55.656 55.803 0.206 0.000 0.927 213 Q CB 1.622 30.502 28.738 0.238 0.000 1.229 213 Q HN 0.104 nan 8.270 nan 0.000 0.433 214 T N 0.281 114.932 114.554 0.162 0.000 2.888 214 T HA 0.397 4.747 4.350 -0.000 0.000 0.284 214 T C 0.665 175.360 174.700 -0.009 0.000 1.017 214 T CA -0.836 61.312 62.100 0.081 0.000 1.022 214 T CB 1.519 70.403 68.868 0.025 0.000 1.013 214 T HN 0.808 nan 8.240 nan 0.000 0.465 215 R N 0.740 121.053 120.500 -0.313 0.000 2.120 215 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 215 R C 1.679 177.777 176.300 -0.336 0.000 1.123 215 R CA 1.756 57.508 56.100 -0.580 0.000 0.975 215 R CB -0.277 29.291 30.300 -1.221 0.000 0.866 215 R HN 0.786 nan 8.270 nan 0.000 0.446 216 E N 0.366 120.419 120.200 -0.246 0.000 2.058 216 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 216 E C 1.832 178.367 176.600 -0.108 0.000 0.997 216 E CA 1.785 58.079 56.400 -0.177 0.000 0.801 216 E CB -0.311 29.319 29.700 -0.117 0.000 0.746 216 E HN 0.488 nan 8.360 nan 0.000 0.450 217 A N 0.316 123.112 122.820 -0.040 0.000 1.858 217 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 217 A C 2.374 179.988 177.584 0.050 0.000 1.190 217 A CA 1.953 54.002 52.037 0.020 0.000 0.617 217 A CB -0.842 18.199 19.000 0.068 0.000 0.827 217 A HN 0.222 nan 8.150 nan 0.000 0.443 218 S N 0.063 115.828 115.700 0.108 0.000 2.387 218 S HA -0.217 4.253 4.470 -0.000 0.000 0.230 218 S C 1.789 176.402 174.600 0.020 0.000 1.035 218 S CA 1.727 60.053 58.200 0.210 0.000 1.014 218 S CB -0.404 63.064 63.200 0.446 0.000 0.836 218 S HN 0.712 nan 8.310 nan 0.000 0.466 219 E N 1.260 121.409 120.200 -0.085 0.000 2.106 219 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 219 E C 2.388 178.927 176.600 -0.102 0.000 0.984 219 E CA 0.952 57.251 56.400 -0.168 0.000 0.806 219 E CB -0.258 29.198 29.700 -0.407 0.000 0.750 219 E HN 0.538 nan 8.360 nan 0.000 0.458 220 A N 1.149 123.919 122.820 -0.083 0.000 1.930 220 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 220 A C 2.512 180.070 177.584 -0.045 0.000 1.175 220 A CA 0.994 52.994 52.037 -0.061 0.000 0.627 220 A CB -0.546 18.428 19.000 -0.043 0.000 0.815 220 A HN 0.102 nan 8.150 nan 0.000 0.443 221 V N -0.064 119.850 119.914 -0.000 0.000 2.358 221 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 221 V C 3.049 179.162 176.094 0.031 0.000 1.047 221 V CA 1.800 64.132 62.300 0.055 0.000 1.035 221 V CB -1.285 30.658 31.823 0.199 0.000 0.658 221 V HN 0.599 nan 8.190 nan 0.000 0.452 222 A N 0.153 122.928 122.820 -0.074 0.000 1.940 222 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 222 A C 2.384 179.934 177.584 -0.057 0.000 1.176 222 A CA 2.071 54.048 52.037 -0.100 0.000 0.631 222 A CB -0.452 18.355 19.000 -0.321 0.000 0.814 222 A HN 0.558 nan 8.150 nan 0.000 0.446 223 R N -0.708 119.746 120.500 -0.077 0.000 2.057 223 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 223 R C 2.131 178.335 176.300 -0.159 0.000 1.136 223 R CA 1.298 57.340 56.100 -0.097 0.000 0.952 223 R CB -0.600 29.645 30.300 -0.091 0.000 0.848 223 R HN 0.465 nan 8.270 nan 0.000 0.430 224 L N 1.195 122.307 121.223 -0.185 0.000 2.043 224 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 224 L C 1.397 178.010 176.870 -0.428 0.000 1.075 224 L CA 1.173 55.793 54.840 -0.366 0.000 0.752 224 L CB -0.471 41.402 42.059 -0.311 0.000 0.891 224 L HN 0.226 nan 8.230 nan 0.000 0.432 225 N N 0.166 118.753 118.700 -0.189 0.000 2.521 225 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 225 N C -0.004 175.278 175.510 -0.380 0.000 1.146 225 N CA 0.167 53.123 53.050 -0.158 0.000 0.893 225 N CB 0.021 38.538 38.487 0.050 0.000 0.975 225 N HN 0.258 nan 8.380 nan 0.000 0.451 226 Q N -0.960 118.645 119.800 -0.325 0.000 2.434 226 Q HA -0.162 4.178 4.340 -0.000 0.000 0.299 226 Q C -0.846 175.090 176.000 -0.107 0.000 1.286 226 Q CA 0.191 55.852 55.803 -0.238 0.000 0.872 226 Q CB -1.969 26.569 28.738 -0.333 0.000 1.193 226 Q HN 0.082 nan 8.270 nan 0.000 0.466 227 V N 1.536 121.426 119.914 -0.040 0.000 2.555 227 V HA 0.050 4.170 4.120 -0.000 0.000 0.286 227 V C 1.007 177.111 176.094 0.018 0.000 1.044 227 V CA -0.395 61.923 62.300 0.030 0.000 1.026 227 V CB 1.210 33.096 31.823 0.106 0.000 0.981 227 V HN 0.359 nan 8.190 nan 0.000 0.480 228 N N 6.730 125.445 118.700 0.026 0.000 2.411 228 N HA 0.007 4.747 4.740 -0.000 0.000 0.265 228 N C -1.570 173.950 175.510 0.016 0.000 1.266 228 N CA -1.014 52.047 53.050 0.018 0.000 0.889 228 N CB 1.497 39.998 38.487 0.023 0.000 1.069 228 N HN 0.323 nan 8.380 nan 0.000 0.476 229 P HA -0.182 nan 4.420 nan 0.000 0.218 229 P C 0.561 177.868 177.300 0.012 0.000 1.150 229 P CA 1.622 64.731 63.100 0.015 0.000 0.841 229 P CB 0.195 31.903 31.700 0.014 0.000 0.784 230 Q N -1.227 118.578 119.800 0.008 0.000 2.472 230 Q HA -0.037 4.303 4.340 -0.000 0.000 0.208 230 Q C 1.102 177.098 176.000 -0.006 0.000 0.958 230 Q CA 0.663 56.467 55.803 0.001 0.000 0.932 230 Q CB -0.148 28.591 28.738 0.002 0.000 1.007 230 Q HN 0.498 nan 8.270 nan 0.000 0.508 231 Q N 0.211 120.010 119.800 -0.001 0.000 2.175 231 Q HA 0.222 4.562 4.340 -0.000 0.000 0.225 231 Q C -0.884 175.108 176.000 -0.013 0.000 0.837 231 Q CA -0.160 55.640 55.803 -0.005 0.000 1.032 231 Q CB 1.379 30.128 28.738 0.018 0.000 1.137 231 Q HN -0.005 nan 8.270 nan 0.000 0.483 232 V N 1.173 121.063 119.914 -0.040 0.000 2.656 232 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 232 V C -0.498 175.485 176.094 -0.186 0.000 1.051 232 V CA -0.684 61.550 62.300 -0.111 0.000 0.893 232 V CB 2.283 33.997 31.823 -0.182 0.000 0.999 232 V HN 0.178 nan 8.190 nan 0.000 0.426 233 I N 3.881 124.291 120.570 -0.266 0.000 2.569 233 I HA 0.512 4.682 4.170 -0.000 0.000 0.290 233 I C -1.455 174.514 176.117 -0.247 0.000 1.088 233 I CA -0.265 60.921 61.300 -0.189 0.000 1.047 233 I CB 2.302 40.222 38.000 -0.133 0.000 1.237 233 I HN 0.424 nan 8.210 nan 0.000 0.421 234 F N 4.473 124.485 119.950 0.105 0.000 2.458 234 F HA 0.798 5.325 4.527 -0.000 0.000 0.336 234 F C 0.375 176.263 175.800 0.147 0.000 1.114 234 F CA -0.575 57.546 58.000 0.202 0.000 0.987 234 F CB 1.916 41.053 39.000 0.229 0.000 1.130 234 F HN 0.408 nan 8.300 nan 0.000 0.458 235 A N 2.922 125.873 122.820 0.218 0.000 2.475 235 A HA 0.625 4.945 4.320 -0.000 0.000 0.301 235 A C -1.258 176.100 177.584 -0.376 0.000 1.059 235 A CA -0.790 51.230 52.037 -0.028 0.000 0.710 235 A CB 1.751 20.664 19.000 -0.145 0.000 1.288 235 A HN 0.727 nan 8.150 nan 0.000 0.408 236 Q N 1.212 120.743 119.800 -0.448 0.000 2.256 236 Q HA 0.432 4.772 4.340 -0.000 0.000 0.254 236 Q C -0.197 175.693 176.000 -0.184 0.000 0.916 236 Q CA -0.511 54.878 55.803 -0.691 0.000 0.932 236 Q CB 0.945 29.457 28.738 -0.377 0.000 1.207 236 Q HN 0.746 nan 8.270 nan 0.000 0.426 237 Q N 2.350 122.036 119.800 -0.189 0.000 2.395 237 Q HA 0.013 4.353 4.340 -0.000 0.000 0.271 237 Q C -0.536 175.397 176.000 -0.113 0.000 1.026 237 Q CA 0.073 55.790 55.803 -0.144 0.000 0.900 237 Q CB 0.602 29.250 28.738 -0.149 0.000 1.266 237 Q HN 0.611 nan 8.270 nan 0.000 0.430 238 N N 4.807 123.415 118.700 -0.153 0.000 2.427 238 N HA 0.037 4.777 4.740 -0.000 0.000 0.269 238 N C -1.961 173.497 175.510 -0.086 0.000 1.235 238 N CA -1.534 51.457 53.050 -0.100 0.000 0.934 238 N CB 0.829 39.239 38.487 -0.128 0.000 1.121 238 N HN 0.438 nan 8.380 nan 0.000 0.480 239 P HA -0.180 nan 4.420 nan 0.000 0.217 239 P C 0.340 177.620 177.300 -0.034 0.000 1.148 239 P CA 1.277 64.365 63.100 -0.019 0.000 0.828 239 P CB 0.429 32.131 31.700 0.004 0.000 0.783 240 D N -0.206 120.164 120.400 -0.050 0.000 2.117 240 D HA -0.090 4.549 4.640 -0.000 0.000 0.197 240 D C 2.091 178.344 176.300 -0.079 0.000 0.987 240 D CA 0.880 54.844 54.000 -0.061 0.000 0.829 240 D CB -0.567 40.195 40.800 -0.063 0.000 0.961 240 D HN 0.066 nan 8.370 nan 0.000 0.460 241 V N 1.203 121.048 119.914 -0.115 0.000 2.667 241 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 241 V C 2.362 178.401 176.094 -0.091 0.000 1.065 241 V CA 0.695 62.904 62.300 -0.151 0.000 1.083 241 V CB -0.114 31.558 31.823 -0.252 0.000 0.692 241 V HN 0.148 nan 8.190 nan 0.000 0.468 242 I N -0.272 120.265 120.570 -0.054 0.000 2.252 242 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 242 I C 1.765 177.962 176.117 0.134 0.000 1.102 242 I CA 1.311 62.621 61.300 0.017 0.000 1.385 242 I CB -0.404 37.615 38.000 0.031 0.000 1.064 242 I HN 0.283 nan 8.210 nan 0.000 0.414 243 D N 0.794 121.230 120.400 0.060 0.000 2.390 243 D HA -0.108 4.532 4.640 -0.000 0.000 0.235 243 D C 1.449 177.749 176.300 0.000 0.000 1.040 243 D CA 0.812 54.801 54.000 -0.018 0.000 0.923 243 D CB 0.061 40.795 40.800 -0.111 0.000 0.886 243 D HN 0.528 nan 8.370 nan 0.000 0.532 244 Q N -1.303 118.572 119.800 0.124 0.000 2.149 244 Q HA 0.298 4.638 4.340 -0.000 0.000 0.221 244 Q C 0.904 177.009 176.000 0.175 0.000 0.807 244 Q CA 0.082 55.956 55.803 0.117 0.000 1.000 244 Q CB 1.785 30.522 28.738 -0.001 0.000 1.157 244 Q HN 0.234 nan 8.270 nan 0.000 0.487 245 G N 0.364 109.285 108.800 0.201 0.000 2.205 245 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.180 245 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.180 245 G C 0.144 175.061 174.900 0.028 0.000 1.004 245 G CA -0.334 44.784 45.100 0.031 0.000 0.670 245 G HN 0.147 nan 8.290 nan 0.000 0.496 246 V N 3.527 123.413 119.914 -0.048 0.000 2.229 246 V HA 0.327 4.447 4.120 -0.000 0.000 0.245 246 V C 1.501 177.492 176.094 -0.173 0.000 1.243 246 V CA 0.533 62.714 62.300 -0.199 0.000 1.176 246 V CB -1.349 30.335 31.823 -0.231 0.000 1.323 246 V HN 0.499 nan 8.190 nan 0.000 0.499 247 F N 0.609 120.406 119.950 -0.254 0.000 2.661 247 F HA 0.288 4.815 4.527 -0.000 0.000 0.298 247 F C 0.878 176.531 175.800 -0.246 0.000 1.137 247 F CA -0.098 57.722 58.000 -0.300 0.000 1.454 247 F CB -0.475 38.249 39.000 -0.459 0.000 1.103 247 F HN 0.393 nan 8.300 nan 0.000 0.577 248 H N -0.400 118.368 119.070 -0.502 0.000 2.895 248 H HA 0.193 4.749 4.556 -0.000 0.000 0.373 248 H C 0.564 175.689 175.328 -0.337 0.000 1.174 248 H CA -0.830 55.013 56.048 -0.341 0.000 1.144 248 H CB 1.300 30.813 29.762 -0.415 0.000 1.793 248 H HN -0.125 nan 8.280 nan 0.000 0.551 249 N N 1.335 119.986 118.700 -0.081 0.000 2.223 249 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 249 N C 0.652 176.051 175.510 -0.185 0.000 1.016 249 N CA 1.495 54.451 53.050 -0.157 0.000 0.863 249 N CB 0.078 38.527 38.487 -0.064 0.000 0.983 249 N HN 0.710 nan 8.380 nan 0.000 0.429 250 D N -0.013 120.301 120.400 -0.143 0.000 2.358 250 D HA -0.049 4.591 4.640 -0.000 0.000 0.241 250 D C 1.262 177.424 176.300 -0.230 0.000 1.094 250 D CA 0.218 54.141 54.000 -0.129 0.000 0.907 250 D CB -0.095 40.658 40.800 -0.079 0.000 0.893 250 D HN 0.088 nan 8.370 nan 0.000 0.528 251 V N -0.105 119.597 119.914 -0.353 0.000 3.578 251 V HA 0.266 4.386 4.120 -0.000 0.000 0.290 251 V C 1.458 177.366 176.094 -0.310 0.000 1.376 251 V CA 0.136 62.134 62.300 -0.504 0.000 1.083 251 V CB 0.168 31.573 31.823 -0.698 0.000 0.911 251 V HN 0.292 nan 8.190 nan 0.000 0.433 252 I N -0.492 119.886 120.570 -0.321 0.000 4.620 252 I HA 0.625 4.795 4.170 -0.000 0.000 0.347 252 I C 0.030 175.654 176.117 -0.821 0.000 1.302 252 I CA 0.348 61.328 61.300 -0.535 0.000 1.277 252 I CB 0.900 38.573 38.000 -0.545 0.000 1.566 252 I HN 0.202 nan 8.210 nan 0.000 0.547 253 A N 0.407 122.987 122.820 -0.401 0.000 2.594 253 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 253 A C -2.023 175.578 177.584 0.027 0.000 1.056 253 A CA -0.355 51.537 52.037 -0.241 0.000 0.693 253 A CB 1.859 20.758 19.000 -0.168 0.000 1.278 253 A HN -0.011 nan 8.150 nan 0.000 0.408 254 V N 1.422 121.433 119.914 0.162 0.000 2.969 254 V HA 0.829 4.949 4.120 -0.000 0.000 0.304 254 V C -0.405 175.823 176.094 0.224 0.000 1.192 254 V CA 0.380 62.797 62.300 0.196 0.000 0.962 254 V CB 2.382 34.359 31.823 0.257 0.000 1.045 254 V HN 2.050 nan 8.190 nan 0.000 0.428 255 S N 4.249 120.048 115.700 0.164 0.000 2.648 255 S HA 0.867 5.337 4.470 -0.000 0.000 0.305 255 S C -0.772 173.924 174.600 0.160 0.000 1.094 255 S CA -0.701 57.598 58.200 0.164 0.000 0.983 255 S CB 1.921 65.191 63.200 0.116 0.000 1.101 255 S HN 1.302 nan 8.310 nan 0.000 0.514 256 N N 0.038 118.837 118.700 0.164 0.000 2.999 256 N HA 0.289 5.029 4.740 -0.000 0.000 0.244 256 N C -0.160 175.428 175.510 0.131 0.000 1.106 256 N CA -0.252 52.907 53.050 0.182 0.000 1.018 256 N CB 0.660 39.247 38.487 0.166 0.000 1.600 256 N HN 0.738 nan 8.380 nan 0.000 0.621 257 R N 0.532 121.104 120.500 0.119 0.000 3.934 257 R HA -0.227 4.113 4.340 -0.000 0.000 0.384 257 R C 0.861 177.205 176.300 0.074 0.000 0.241 257 R CA 1.812 57.925 56.100 0.022 0.000 1.241 257 R CB -1.538 28.730 30.300 -0.053 0.000 0.999 257 R HN 0.864 nan 8.270 nan 0.000 0.562 258 Q N 2.077 121.912 119.800 0.059 0.000 2.403 258 Q HA 0.156 4.495 4.340 -0.000 0.000 0.203 258 Q C 0.401 176.471 176.000 0.117 0.000 0.932 258 Q CA 0.620 56.488 55.803 0.108 0.000 0.945 258 Q CB 0.393 29.162 28.738 0.052 0.000 1.045 258 Q HN 0.296 nan 8.270 nan 0.000 0.511 259 V N 2.300 122.265 119.914 0.084 0.000 2.481 259 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 259 V C -0.237 175.956 176.094 0.165 0.000 1.042 259 V CA -0.708 61.627 62.300 0.058 0.000 0.928 259 V CB 1.667 33.511 31.823 0.037 0.000 0.986 259 V HN 0.369 nan 8.190 nan 0.000 0.462 260 L N 5.833 127.162 121.223 0.176 0.000 2.401 260 L HA 0.522 4.862 4.340 -0.000 0.000 0.263 260 L C -1.194 175.849 176.870 0.288 0.000 1.004 260 L CA -0.529 54.477 54.840 0.275 0.000 0.881 260 L CB 0.774 43.085 42.059 0.419 0.000 1.219 260 L HN 0.635 nan 8.230 nan 0.000 0.441 261 F N 6.749 126.791 119.950 0.154 0.000 2.421 261 F HA 0.556 5.083 4.527 -0.000 0.000 0.358 261 F C 0.006 175.955 175.800 0.248 0.000 1.115 261 F CA -0.973 57.156 58.000 0.215 0.000 1.160 261 F CB 0.336 39.476 39.000 0.233 0.000 1.123 261 F HN 0.601 nan 8.300 nan 0.000 0.508 262 C N 5.138 124.364 119.300 -0.123 0.000 3.285 262 C HA 0.455 4.915 4.460 -0.000 0.000 0.325 262 C C -0.465 174.138 174.990 -0.645 0.000 1.304 262 C CA -0.942 57.748 59.018 -0.548 0.000 1.319 262 C CB 1.271 28.916 27.740 -0.158 0.000 1.640 262 C HN 0.903 nan 8.230 nan 0.000 0.477 263 H N 1.292 119.660 119.070 -1.170 0.000 2.679 263 H HA 0.169 4.725 4.556 -0.000 0.000 0.369 263 H C 1.225 176.365 175.328 -0.313 0.000 1.178 263 H CA 1.498 57.166 56.048 -0.634 0.000 1.419 263 H CB 1.494 30.870 29.762 -0.643 0.000 1.458 263 H HN 0.947 nan 8.280 nan 0.000 0.605 264 Q N 1.758 121.504 119.800 -0.091 0.000 2.224 264 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 264 Q C 0.575 176.661 176.000 0.143 0.000 0.970 264 Q CA 1.355 57.185 55.803 0.045 0.000 0.865 264 Q CB 0.064 28.788 28.738 -0.023 0.000 0.922 264 Q HN 0.638 nan 8.270 nan 0.000 0.445 265 Q N -0.185 119.781 119.800 0.276 0.000 2.211 265 Q HA 0.345 4.684 4.340 -0.000 0.000 0.231 265 Q C 1.106 176.980 176.000 -0.209 0.000 0.865 265 Q CA 0.157 55.941 55.803 -0.032 0.000 0.997 265 Q CB 0.754 29.407 28.738 -0.142 0.000 1.101 265 Q HN 0.497 nan 8.270 nan 0.000 0.468 266 A N 0.574 123.235 122.820 -0.265 0.000 1.855 266 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 266 A C 0.416 177.525 177.584 -0.792 0.000 1.191 266 A CA 1.136 52.775 52.037 -0.663 0.000 0.613 266 A CB 0.088 18.541 19.000 -0.911 0.000 0.829 266 A HN 0.287 nan 8.150 nan 0.000 0.442 267 F N -2.058 117.825 119.950 -0.112 0.000 2.575 267 F HA 0.687 5.214 4.527 -0.000 0.000 0.330 267 F C 0.471 176.225 175.800 -0.077 0.000 1.056 267 F CA -1.061 56.877 58.000 -0.104 0.000 0.964 267 F CB 1.339 40.279 39.000 -0.099 0.000 1.258 267 F HN 0.138 nan 8.300 nan 0.000 0.484 268 A N 0.743 123.639 122.820 0.128 0.000 2.363 268 A HA 0.601 4.921 4.320 -0.000 0.000 0.270 268 A C 0.452 178.078 177.584 0.071 0.000 1.121 268 A CA -0.612 51.462 52.037 0.062 0.000 0.800 268 A CB -0.062 18.958 19.000 0.033 0.000 1.052 268 A HN 0.919 nan 8.150 nan 0.000 0.493 269 R N 0.872 121.402 120.500 0.050 0.000 3.422 269 R HA -0.237 4.103 4.340 -0.000 0.000 0.267 269 R C 1.028 177.348 176.300 0.034 0.000 1.074 269 R CA 0.952 57.073 56.100 0.035 0.000 0.718 269 R CB -1.964 28.351 30.300 0.025 0.000 1.157 269 R HN 0.974 nan 8.270 nan 0.000 0.440 270 Q N 0.683 120.524 119.800 0.069 0.000 2.112 270 Q HA -0.222 4.117 4.340 -0.000 0.000 0.206 270 Q C 1.990 178.007 176.000 0.029 0.000 0.987 270 Q CA 2.268 58.118 55.803 0.079 0.000 0.858 270 Q CB -0.092 28.732 28.738 0.143 0.000 0.905 270 Q HN 0.450 nan 8.270 nan 0.000 0.420 271 S N -0.469 115.250 115.700 0.032 0.000 2.370 271 S HA -0.265 4.205 4.470 -0.000 0.000 0.226 271 S C 1.930 176.535 174.600 0.008 0.000 1.033 271 S CA 1.689 59.905 58.200 0.026 0.000 1.011 271 S CB -0.291 62.924 63.200 0.026 0.000 0.852 271 S HN 0.584 nan 8.310 nan 0.000 0.457 272 Q N -0.245 119.553 119.800 -0.003 0.000 2.084 272 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 272 Q C 2.232 178.203 176.000 -0.048 0.000 0.978 272 Q CA 1.626 57.420 55.803 -0.016 0.000 0.844 272 Q CB -0.288 28.444 28.738 -0.011 0.000 0.898 272 Q HN 0.573 nan 8.270 nan 0.000 0.426 273 L N 0.663 121.839 121.223 -0.079 0.000 2.017 273 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 273 L C 2.064 178.832 176.870 -0.170 0.000 1.073 273 L CA 1.657 56.401 54.840 -0.160 0.000 0.745 273 L CB -0.593 41.302 42.059 -0.273 0.000 0.894 273 L HN 0.289 nan 8.230 nan 0.000 0.432 274 L N -0.599 120.576 121.223 -0.080 0.000 2.083 274 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 274 L C 2.648 179.543 176.870 0.043 0.000 1.083 274 L CA 1.098 55.962 54.840 0.040 0.000 0.752 274 L CB -0.893 41.262 42.059 0.159 0.000 0.899 274 L HN 0.429 nan 8.230 nan 0.000 0.433 275 A N 0.177 123.003 122.820 0.010 0.000 1.898 275 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 275 A C 2.090 179.649 177.584 -0.041 0.000 1.181 275 A CA 1.976 54.020 52.037 0.012 0.000 0.620 275 A CB -0.865 18.140 19.000 0.007 0.000 0.819 275 A HN 0.570 nan 8.150 nan 0.000 0.442 276 N N -0.719 117.928 118.700 -0.087 0.000 2.084 276 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 276 N C 1.676 177.068 175.510 -0.196 0.000 1.030 276 N CA 1.375 54.355 53.050 -0.117 0.000 0.849 276 N CB -0.159 38.257 38.487 -0.119 0.000 1.012 276 N HN 0.269 nan 8.380 nan 0.000 0.423 277 L N 1.754 122.769 121.223 -0.348 0.000 2.056 277 L HA -0.044 4.296 4.340 -0.000 0.000 0.207 277 L C 2.443 178.998 176.870 -0.526 0.000 1.078 277 L CA 1.375 55.825 54.840 -0.652 0.000 0.749 277 L CB -0.719 40.555 42.059 -1.309 0.000 0.901 277 L HN 0.152 nan 8.230 nan 0.000 0.433 278 R N -1.094 119.287 120.500 -0.199 0.000 2.105 278 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 278 R C 2.144 178.473 176.300 0.049 0.000 1.135 278 R CA 1.348 57.551 56.100 0.171 0.000 0.967 278 R CB -0.532 29.915 30.300 0.244 0.000 0.861 278 R HN 0.391 nan 8.270 nan 0.000 0.442 279 A N 0.547 123.357 122.820 -0.017 0.000 2.016 279 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 279 A C 2.028 179.592 177.584 -0.034 0.000 1.162 279 A CA 0.761 52.788 52.037 -0.016 0.000 0.662 279 A CB -0.142 18.846 19.000 -0.020 0.000 0.812 279 A HN 0.176 nan 8.150 nan 0.000 0.450 280 R N -0.919 119.536 120.500 -0.075 0.000 2.265 280 R HA 0.214 4.554 4.340 -0.000 0.000 0.194 280 R C -0.873 175.383 176.300 -0.073 0.000 0.931 280 R CA 0.428 56.482 56.100 -0.077 0.000 1.032 280 R CB 0.397 30.635 30.300 -0.104 0.000 0.980 280 R HN 0.206 nan 8.270 nan 0.000 0.497 281 V N 2.768 122.635 119.914 -0.078 0.000 2.376 281 V HA 0.114 4.234 4.120 -0.000 0.000 0.287 281 V C -0.862 175.263 176.094 0.053 0.000 1.015 281 V CA -1.137 61.145 62.300 -0.030 0.000 0.834 281 V CB 1.159 32.937 31.823 -0.074 0.000 1.001 281 V HN 0.268 nan 8.190 nan 0.000 0.428 282 N N 4.077 122.797 118.700 0.033 0.000 2.454 282 N HA 0.304 5.044 4.740 -0.000 0.000 0.260 282 N C 1.220 176.764 175.510 0.058 0.000 1.218 282 N CA 1.599 54.671 53.050 0.037 0.000 0.904 282 N CB 0.947 39.438 38.487 0.005 0.000 1.065 282 N HN 1.046 nan 8.380 nan 0.000 0.462 283 G N 2.951 111.788 108.800 0.063 0.000 2.162 283 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 283 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 283 G C 0.183 175.129 174.900 0.076 0.000 0.976 283 G CA 0.200 45.328 45.100 0.046 0.000 0.655 283 G HN 0.771 nan 8.290 nan 0.000 0.533 284 F N 1.102 121.042 119.950 -0.016 0.000 2.623 284 F HA 0.412 4.939 4.527 -0.000 0.000 0.386 284 F C 0.729 176.529 175.800 -0.000 0.000 1.068 284 F CA 0.462 58.456 58.000 -0.010 0.000 1.265 284 F CB 0.307 39.297 39.000 -0.017 0.000 1.026 284 F HN 0.180 nan 8.300 nan 0.000 0.568 285 M N 7.718 126.829 119.600 -0.814 0.000 2.142 285 M HA 0.568 5.048 4.480 -0.000 0.000 0.299 285 M C -1.490 174.274 176.300 -0.893 0.000 0.960 285 M CA -0.553 54.321 55.300 -0.711 0.000 0.920 285 M CB 1.271 33.700 32.600 -0.286 0.000 1.541 285 M HN 0.704 nan 8.290 nan 0.000 0.429 286 A N 6.584 128.899 122.820 -0.842 0.000 2.260 286 A HA 0.638 4.958 4.320 -0.000 0.000 0.308 286 A C -0.697 176.828 177.584 -0.098 0.000 1.254 286 A CA -0.562 51.241 52.037 -0.389 0.000 0.874 286 A CB 0.135 19.040 19.000 -0.158 0.000 1.153 286 A HN 0.921 nan 8.150 nan 0.000 0.527 287 I N 3.260 123.866 120.570 0.059 0.000 2.347 287 I HA 0.173 4.342 4.170 -0.000 0.000 0.283 287 I C -0.154 176.105 176.117 0.236 0.000 1.058 287 I CA 0.040 61.451 61.300 0.185 0.000 1.202 287 I CB 0.839 39.028 38.000 0.316 0.000 1.386 287 I HN 0.692 nan 8.210 nan 0.000 0.475 288 E N 5.406 125.683 120.200 0.129 0.000 2.197 288 E HA 0.388 4.738 4.350 -0.000 0.000 0.281 288 E C -0.877 175.732 176.600 0.015 0.000 0.995 288 E CA -0.689 55.742 56.400 0.052 0.000 0.808 288 E CB 2.623 32.333 29.700 0.017 0.000 1.093 288 E HN 0.244 nan 8.360 nan 0.000 0.394 289 V N 5.703 125.552 119.914 -0.109 0.000 2.350 289 V HA 0.242 4.362 4.120 -0.000 0.000 0.276 289 V C -1.885 173.923 176.094 -0.478 0.000 1.028 289 V CA -1.826 60.300 62.300 -0.290 0.000 0.860 289 V CB 0.893 32.527 31.823 -0.315 0.000 0.990 289 V HN 0.594 nan 8.190 nan 0.000 0.453 290 P HA 0.192 nan 4.420 nan 0.000 0.277 290 P C 0.531 177.679 177.300 -0.253 0.000 1.240 290 P CA -0.258 62.695 63.100 -0.244 0.000 0.798 290 P CB 1.592 33.222 31.700 -0.115 0.000 0.979 291 A N 2.808 125.581 122.820 -0.079 0.000 2.024 291 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 291 A C 2.102 179.695 177.584 0.016 0.000 1.164 291 A CA 2.096 54.176 52.037 0.071 0.000 0.643 291 A CB -1.855 17.224 19.000 0.130 0.000 0.806 291 A HN 0.581 nan 8.150 nan 0.000 0.451 292 T N -0.268 114.276 114.554 -0.017 0.000 2.788 292 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 292 T C 2.055 176.746 174.700 -0.015 0.000 1.044 292 T CA 1.638 63.734 62.100 -0.007 0.000 1.139 292 T CB -0.157 68.707 68.868 -0.008 0.000 0.867 292 T HN 0.563 nan 8.240 nan 0.000 0.454 293 Q N -0.111 119.647 119.800 -0.070 0.000 2.165 293 Q HA 0.117 4.457 4.340 -0.000 0.000 0.197 293 Q C 0.073 176.031 176.000 -0.070 0.000 0.952 293 Q CA 0.811 56.566 55.803 -0.080 0.000 0.848 293 Q CB 0.535 29.154 28.738 -0.198 0.000 0.931 293 Q HN 0.303 nan 8.270 nan 0.000 0.470 294 V N 1.547 121.395 119.914 -0.110 0.000 2.567 294 V HA 0.158 4.278 4.120 -0.000 0.000 0.298 294 V C -0.191 175.964 176.094 0.102 0.000 1.047 294 V CA -0.809 61.483 62.300 -0.014 0.000 0.880 294 V CB 1.644 33.417 31.823 -0.084 0.000 1.009 294 V HN 0.214 nan 8.190 nan 0.000 0.429 295 S N 3.602 119.374 115.700 0.121 0.000 2.593 295 S HA 0.333 4.803 4.470 -0.000 0.000 0.269 295 S C 1.182 175.858 174.600 0.125 0.000 1.334 295 S CA -0.250 58.032 58.200 0.136 0.000 1.015 295 S CB 1.637 64.887 63.200 0.084 0.000 0.912 295 S HN 0.453 nan 8.310 nan 0.000 0.541 296 V N 2.157 122.082 119.914 0.019 0.000 2.392 296 V HA -0.141 3.979 4.120 -0.000 0.000 0.249 296 V C 2.890 178.966 176.094 -0.029 0.000 1.059 296 V CA 2.258 64.483 62.300 -0.125 0.000 1.051 296 V CB -1.327 30.353 31.823 -0.239 0.000 0.658 296 V HN 1.027 nan 8.190 nan 0.000 0.455 297 S N -0.221 115.481 115.700 0.003 0.000 2.356 297 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 297 S C 1.779 176.396 174.600 0.028 0.000 1.032 297 S CA 1.857 60.071 58.200 0.024 0.000 1.005 297 S CB -0.418 62.803 63.200 0.035 0.000 0.867 297 S HN 0.655 nan 8.310 nan 0.000 0.449 298 D N 0.211 120.625 120.400 0.023 0.000 2.178 298 D HA -0.043 4.597 4.640 -0.000 0.000 0.202 298 D C 2.001 178.260 176.300 -0.068 0.000 0.974 298 D CA 1.000 54.957 54.000 -0.072 0.000 0.841 298 D CB -0.736 40.022 40.800 -0.070 0.000 0.953 298 D HN 0.359 nan 8.370 nan 0.000 0.478 299 T N 0.187 114.762 114.554 0.036 0.000 2.746 299 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 299 T C 2.096 176.866 174.700 0.116 0.000 1.039 299 T CA 0.631 62.796 62.100 0.108 0.000 1.142 299 T CB -0.059 68.933 68.868 0.207 0.000 0.866 299 T HN -0.068 nan 8.240 nan 0.000 0.444 300 V N 1.789 121.760 119.914 0.095 0.000 2.515 300 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 300 V C 2.721 178.978 176.094 0.271 0.000 1.058 300 V CA 1.956 64.361 62.300 0.174 0.000 1.064 300 V CB -0.582 31.303 31.823 0.104 0.000 0.675 300 V HN 0.651 nan 8.190 nan 0.000 0.461 301 S N 0.571 116.345 115.700 0.123 0.000 2.395 301 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 301 S C 2.010 176.639 174.600 0.048 0.000 1.027 301 S CA 1.449 59.687 58.200 0.063 0.000 0.965 301 S CB -0.525 62.693 63.200 0.030 0.000 0.812 301 S HN 0.701 nan 8.310 nan 0.000 0.482 302 T N -3.951 110.633 114.554 0.051 0.000 3.035 302 T HA 0.120 4.470 4.350 -0.000 0.000 0.259 302 T C 0.365 175.196 174.700 0.218 0.000 1.078 302 T CA 0.386 62.522 62.100 0.059 0.000 1.132 302 T CB -0.743 68.103 68.868 -0.036 0.000 0.900 302 T HN 0.287 nan 8.240 nan 0.000 0.480 303 Y N 1.129 121.429 120.300 0.001 0.000 3.790 303 Y HA -0.191 4.359 4.550 -0.000 0.000 0.226 303 Y C 1.266 177.179 175.900 0.022 0.000 1.257 303 Y CA -0.227 57.889 58.100 0.027 0.000 1.765 303 Y CB -2.502 35.982 38.460 0.041 0.000 1.552 303 Y HN 0.520 nan 8.280 nan 0.000 0.650 304 L N -4.075 117.175 121.223 0.044 0.000 2.191 304 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 304 L C 1.847 178.618 176.870 -0.165 0.000 1.103 304 L CA 1.676 56.470 54.840 -0.077 0.000 0.769 304 L CB -0.667 41.252 42.059 -0.234 0.000 0.908 304 L HN 0.134 nan 8.230 nan 0.000 0.438 305 F N -0.086 119.885 119.950 0.035 0.000 2.776 305 F HA 0.125 4.652 4.527 -0.000 0.000 0.300 305 F C 1.876 177.643 175.800 -0.054 0.000 1.116 305 F CA 0.111 58.086 58.000 -0.042 0.000 1.375 305 F CB -0.120 38.757 39.000 -0.204 0.000 1.109 305 F HN 0.211 nan 8.300 nan 0.000 0.585 306 N N 0.866 119.590 118.700 0.039 0.000 2.346 306 N HA -0.001 4.739 4.740 -0.000 0.000 0.225 306 N C -0.039 175.537 175.510 0.111 0.000 1.144 306 N CA -0.100 52.946 53.050 -0.006 0.000 0.837 306 N CB 0.235 38.639 38.487 -0.138 0.000 1.069 306 N HN 0.153 nan 8.380 nan 0.000 0.487 307 S N -0.540 115.247 115.700 0.145 0.000 2.693 307 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 307 S C -0.087 174.581 174.600 0.114 0.000 1.192 307 S CA -0.660 57.625 58.200 0.141 0.000 0.994 307 S CB 1.778 65.075 63.200 0.161 0.000 1.012 307 S HN 0.183 nan 8.310 nan 0.000 0.550 308 Q N 0.196 120.035 119.800 0.065 0.000 2.290 308 Q HA 0.504 4.844 4.340 -0.000 0.000 0.259 308 Q C -1.453 174.551 176.000 0.007 0.000 0.941 308 Q CA -0.677 55.140 55.803 0.023 0.000 0.912 308 Q CB 1.555 30.265 28.738 -0.046 0.000 1.244 308 Q HN 0.538 nan 8.270 nan 0.000 0.441 309 L N 4.876 126.119 121.223 0.033 0.000 2.283 309 L HA 0.399 4.739 4.340 -0.000 0.000 0.281 309 L C -1.456 175.421 176.870 0.011 0.000 1.033 309 L CA 0.007 54.860 54.840 0.021 0.000 0.848 309 L CB 0.480 42.584 42.059 0.075 0.000 1.226 309 L HN 0.535 nan 8.230 nan 0.000 0.429 310 L N 2.880 124.064 121.223 -0.065 0.000 2.334 310 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 310 L C 0.398 177.318 176.870 0.083 0.000 1.036 310 L CA -0.525 54.269 54.840 -0.078 0.000 0.807 310 L CB 1.624 43.355 42.059 -0.546 0.000 1.231 310 L HN 0.448 nan 8.230 nan 0.000 0.438 311 S N 1.924 117.760 115.700 0.226 0.000 2.457 311 S HA 0.450 4.920 4.470 -0.000 0.000 0.289 311 S C -0.197 174.567 174.600 0.273 0.000 1.163 311 S CA -0.830 57.486 58.200 0.194 0.000 1.078 311 S CB 0.806 64.077 63.200 0.118 0.000 0.987 311 S HN 0.403 nan 8.310 nan 0.000 0.482 312 R N 1.903 122.504 120.500 0.169 0.000 2.528 312 R HA 0.182 4.522 4.340 -0.000 0.000 0.271 312 R C 0.277 176.578 176.300 0.002 0.000 1.056 312 R CA -0.522 55.640 56.100 0.103 0.000 1.117 312 R CB 0.347 30.692 30.300 0.075 0.000 1.085 312 R HN 0.564 nan 8.270 nan 0.000 0.530 313 D N 0.923 121.280 120.400 -0.072 0.000 2.203 313 D HA -0.215 4.425 4.640 -0.000 0.000 0.199 313 D C 0.761 177.028 176.300 -0.055 0.000 0.997 313 D CA 1.793 55.739 54.000 -0.090 0.000 0.863 313 D CB -0.114 40.613 40.800 -0.121 0.000 0.928 313 D HN 0.631 nan 8.370 nan 0.000 0.458 314 D N -1.841 118.537 120.400 -0.036 0.000 2.336 314 D HA 0.246 4.886 4.640 -0.000 0.000 0.228 314 D C 1.509 177.801 176.300 -0.012 0.000 1.120 314 D CA 0.353 54.338 54.000 -0.024 0.000 0.839 314 D CB 0.197 40.983 40.800 -0.022 0.000 0.932 314 D HN 0.178 nan 8.370 nan 0.000 0.509 315 G N 0.202 108.997 108.800 -0.009 0.000 2.253 315 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.251 315 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.251 315 G C 0.667 175.566 174.900 -0.000 0.000 0.998 315 G CA 0.347 45.446 45.100 -0.002 0.000 0.621 315 G HN 0.838 nan 8.290 nan 0.000 0.524 316 S N 0.173 115.873 115.700 0.000 0.000 2.596 316 S HA 0.735 5.205 4.470 -0.000 0.000 0.260 316 S C 0.321 174.929 174.600 0.013 0.000 1.336 316 S CA 0.261 58.458 58.200 -0.004 0.000 0.993 316 S CB 1.085 64.280 63.200 -0.008 0.000 0.923 316 S HN 0.547 nan 8.310 nan 0.000 0.567 317 M N 1.203 120.801 119.600 -0.003 0.000 2.591 317 M HA 0.478 4.958 4.480 -0.000 0.000 0.306 317 M C -0.625 175.668 176.300 -0.012 0.000 1.190 317 M CA -0.411 54.891 55.300 0.004 0.000 0.889 317 M CB 2.337 34.925 32.600 -0.019 0.000 1.728 317 M HN 0.728 nan 8.290 nan 0.000 0.458 318 M N 2.455 122.052 119.600 -0.005 0.000 2.456 318 M HA 0.544 5.024 4.480 -0.000 0.000 0.324 318 M C -1.942 174.324 176.300 -0.057 0.000 1.124 318 M CA -0.753 54.536 55.300 -0.019 0.000 0.959 318 M CB 1.664 34.276 32.600 0.019 0.000 1.692 318 M HN 0.669 nan 8.290 nan 0.000 0.444 319 L N 5.288 126.481 121.223 -0.051 0.000 2.276 319 L HA 0.438 4.778 4.340 -0.000 0.000 0.286 319 L C -1.096 175.795 176.870 0.035 0.000 1.024 319 L CA -0.760 54.055 54.840 -0.041 0.000 0.826 319 L CB 1.624 43.625 42.059 -0.097 0.000 1.211 319 L HN 0.485 nan 8.230 nan 0.000 0.422 320 V N 6.369 126.310 119.914 0.045 0.000 2.368 320 V HA 0.317 4.437 4.120 -0.000 0.000 0.266 320 V C 0.263 176.448 176.094 0.151 0.000 1.045 320 V CA -0.174 62.200 62.300 0.122 0.000 0.899 320 V CB 1.116 32.960 31.823 0.035 0.000 1.006 320 V HN 0.538 nan 8.190 nan 0.000 0.470 321 L N 7.529 128.878 121.223 0.210 0.000 2.319 321 L HA 0.671 5.011 4.340 -0.000 0.000 0.267 321 L C -2.427 174.571 176.870 0.212 0.000 1.011 321 L CA -2.065 52.895 54.840 0.200 0.000 0.818 321 L CB 2.641 44.825 42.059 0.209 0.000 1.316 321 L HN 0.359 nan 8.230 nan 0.000 0.432 322 P HA 0.063 nan 4.420 nan 0.000 0.282 322 P C -0.174 177.180 177.300 0.089 0.000 1.249 322 P CA -0.499 62.692 63.100 0.151 0.000 0.806 322 P CB 1.434 33.220 31.700 0.143 0.000 0.984 323 Q N 2.368 122.199 119.800 0.052 0.000 2.182 323 Q HA -0.258 4.081 4.340 -0.000 0.000 0.213 323 Q C 1.403 177.379 176.000 -0.041 0.000 1.000 323 Q CA 2.336 58.125 55.803 -0.024 0.000 0.889 323 Q CB -0.199 28.528 28.738 -0.018 0.000 0.932 323 Q HN 0.426 nan 8.270 nan 0.000 0.415 324 E N -0.374 119.829 120.200 0.004 0.000 2.396 324 E HA -0.174 4.176 4.350 -0.000 0.000 0.200 324 E C 1.887 178.523 176.600 0.060 0.000 1.023 324 E CA 1.021 57.434 56.400 0.022 0.000 0.857 324 E CB -0.750 28.965 29.700 0.025 0.000 0.775 324 E HN 0.429 nan 8.360 nan 0.000 0.525 325 C N 0.766 120.108 119.300 0.070 0.000 2.464 325 C HA 0.093 4.553 4.460 -0.000 0.000 0.278 325 C C 2.650 177.732 174.990 0.154 0.000 1.375 325 C CA 0.388 59.503 59.018 0.162 0.000 1.761 325 C CB -0.885 26.986 27.740 0.218 0.000 1.944 325 C HN 0.426 nan 8.230 nan 0.000 0.509 326 R N 0.817 121.197 120.500 -0.199 0.000 2.210 326 R HA 0.015 4.355 4.340 -0.000 0.000 0.203 326 R C 1.587 177.618 176.300 -0.449 0.000 1.010 326 R CA 0.809 56.420 56.100 -0.815 0.000 1.008 326 R CB -0.019 29.577 30.300 -1.175 0.000 0.923 326 R HN 0.578 nan 8.270 nan 0.000 0.469 327 E N -1.033 119.065 120.200 -0.171 0.000 2.489 327 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 327 E C -0.467 176.156 176.600 0.037 0.000 1.057 327 E CA 0.167 56.521 56.400 -0.077 0.000 0.866 327 E CB 0.206 29.880 29.700 -0.043 0.000 0.916 327 E HN 0.283 nan 8.360 nan 0.000 0.500 328 H N -0.123 118.959 119.070 0.019 0.000 2.623 328 H HA 0.379 4.935 4.556 -0.000 0.000 0.299 328 H C 0.840 176.258 175.328 0.150 0.000 1.052 328 H CA -0.212 55.886 56.048 0.082 0.000 1.231 328 H CB 0.960 30.783 29.762 0.103 0.000 1.389 328 H HN 0.027 nan 8.280 nan 0.000 0.469 329 A N 3.845 126.618 122.820 -0.078 0.000 1.884 329 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 329 A C 2.447 180.109 177.584 0.130 0.000 1.197 329 A CA 2.044 54.108 52.037 0.044 0.000 0.637 329 A CB -1.331 17.648 19.000 -0.035 0.000 0.827 329 A HN 0.869 nan 8.150 nan 0.000 0.450 330 G N -0.871 107.954 108.800 0.041 0.000 2.480 330 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 330 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 330 G C 1.542 176.667 174.900 0.375 0.000 1.200 330 G CA 1.456 46.688 45.100 0.220 0.000 0.782 330 G HN 0.387 nan 8.290 nan 0.000 0.554 331 V N -0.090 120.196 119.914 0.621 0.000 2.343 331 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 331 V C 2.265 178.600 176.094 0.402 0.000 1.051 331 V CA 1.741 64.291 62.300 0.417 0.000 1.036 331 V CB -0.649 31.330 31.823 0.259 0.000 0.654 331 V HN 0.633 nan 8.190 nan 0.000 0.451 332 W N 1.101 122.510 121.300 0.181 0.000 2.358 332 W HA -0.155 4.504 4.660 -0.000 0.000 0.303 332 W C 2.184 178.741 176.519 0.064 0.000 1.208 332 W CA 1.328 58.729 57.345 0.094 0.000 1.274 332 W CB -0.294 29.209 29.460 0.072 0.000 1.138 332 W HN 0.372 nan 8.180 nan 0.000 0.515 333 G N -0.497 108.379 108.800 0.127 0.000 2.418 333 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.217 333 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.217 333 G C 1.177 176.047 174.900 -0.049 0.000 1.158 333 G CA 1.170 46.262 45.100 -0.013 0.000 0.771 333 G HN 0.430 nan 8.290 nan 0.000 0.545 334 Y N 0.797 121.084 120.300 -0.021 0.000 2.200 334 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 334 Y C 2.466 178.313 175.900 -0.088 0.000 1.137 334 Y CA 0.741 58.825 58.100 -0.028 0.000 1.163 334 Y CB -0.258 38.218 38.460 0.027 0.000 0.988 334 Y HN 0.048 nan 8.280 nan 0.000 0.518 335 L N 0.840 121.842 121.223 -0.367 0.000 2.042 335 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 335 L C 1.932 178.451 176.870 -0.585 0.000 1.076 335 L CA 1.771 56.318 54.840 -0.489 0.000 0.749 335 L CB -1.773 40.116 42.059 -0.283 0.000 0.893 335 L HN 0.304 nan 8.230 nan 0.000 0.432 336 N N -0.593 117.734 118.700 -0.622 0.000 2.188 336 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 336 N C 1.846 177.127 175.510 -0.381 0.000 1.018 336 N CA 0.972 53.699 53.050 -0.538 0.000 0.858 336 N CB -0.053 38.106 38.487 -0.546 0.000 0.989 336 N HN 0.388 nan 8.380 nan 0.000 0.426 337 E N -0.093 119.889 120.200 -0.362 0.000 2.077 337 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 337 E C 1.700 178.112 176.600 -0.313 0.000 0.989 337 E CA 0.626 56.867 56.400 -0.265 0.000 0.800 337 E CB -0.043 29.552 29.700 -0.176 0.000 0.746 337 E HN 0.161 nan 8.360 nan 0.000 0.452 338 L N 0.854 121.766 121.223 -0.518 0.000 2.083 338 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 338 L C 2.228 178.909 176.870 -0.314 0.000 1.083 338 L CA 1.254 55.823 54.840 -0.452 0.000 0.752 338 L CB -0.536 41.124 42.059 -0.665 0.000 0.899 338 L HN 0.234 nan 8.230 nan 0.000 0.433 339 L N -0.252 120.774 121.223 -0.329 0.000 2.046 339 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 339 L C 2.405 179.163 176.870 -0.186 0.000 1.077 339 L CA 2.144 56.834 54.840 -0.249 0.000 0.747 339 L CB -1.023 40.876 42.059 -0.266 0.000 0.896 339 L HN 0.238 nan 8.230 nan 0.000 0.432 340 A N -0.180 122.530 122.820 -0.183 0.000 2.014 340 A HA 0.332 4.652 4.320 -0.000 0.000 0.218 340 A C 1.563 179.082 177.584 -0.108 0.000 1.163 340 A CA 0.632 52.590 52.037 -0.131 0.000 0.652 340 A CB -1.136 17.790 19.000 -0.123 0.000 0.808 340 A HN 0.542 nan 8.150 nan 0.000 0.449 341 A N 0.312 123.061 122.820 -0.119 0.000 2.475 341 A HA 0.296 4.616 4.320 -0.000 0.000 0.239 341 A C -0.036 177.502 177.584 -0.077 0.000 1.087 341 A CA 0.189 52.174 52.037 -0.087 0.000 0.779 341 A CB -0.065 18.884 19.000 -0.085 0.000 1.036 341 A HN 0.287 nan 8.150 nan 0.000 0.506 342 D N 0.698 121.064 120.400 -0.057 0.000 2.374 342 D HA 0.402 5.042 4.640 -0.000 0.000 0.240 342 D C -0.290 175.978 176.300 -0.053 0.000 1.229 342 D CA 0.298 54.268 54.000 -0.051 0.000 0.895 342 D CB -0.511 40.266 40.800 -0.038 0.000 1.046 342 D HN 0.675 nan 8.370 nan 0.000 0.498 343 N N 1.141 119.803 118.700 -0.063 0.000 3.261 343 N HA 0.353 5.093 4.740 -0.000 0.000 0.248 343 N C -2.566 172.902 175.510 -0.070 0.000 1.498 343 N CA -0.976 52.034 53.050 -0.066 0.000 0.884 343 N CB 0.348 38.791 38.487 -0.073 0.000 1.428 343 N HN -0.158 nan 8.380 nan 0.000 0.517 344 P HA 0.137 nan 4.420 nan 0.000 0.220 344 P C -0.244 177.010 177.300 -0.077 0.000 1.148 344 P CA 0.854 63.917 63.100 -0.062 0.000 0.803 344 P CB 0.169 31.838 31.700 -0.052 0.000 0.782 345 I N 0.581 121.082 120.570 -0.115 0.000 2.453 345 I HA -0.021 4.149 4.170 -0.000 0.000 0.300 345 I C 0.967 177.009 176.117 -0.125 0.000 1.159 345 I CA 0.352 61.566 61.300 -0.144 0.000 1.379 345 I CB -0.090 37.768 38.000 -0.237 0.000 1.460 345 I HN 0.018 nan 8.210 nan 0.000 0.601 346 S N 3.740 119.389 115.700 -0.086 0.000 2.568 346 S HA 0.259 4.729 4.470 -0.000 0.000 0.232 346 S C 0.169 174.733 174.600 -0.061 0.000 0.975 346 S CA -0.440 57.717 58.200 -0.072 0.000 0.949 346 S CB 0.226 63.397 63.200 -0.048 0.000 0.829 346 S HN 0.712 nan 8.310 nan 0.000 0.479 347 E N 0.579 120.741 120.200 -0.062 0.000 2.381 347 E HA 0.456 4.806 4.350 -0.000 0.000 0.286 347 E C -1.896 174.683 176.600 -0.034 0.000 0.960 347 E CA -0.690 55.689 56.400 -0.035 0.000 0.793 347 E CB 1.311 31.015 29.700 0.007 0.000 1.225 347 E HN 0.324 nan 8.360 nan 0.000 0.420 348 L N 3.188 124.403 121.223 -0.014 0.000 2.322 348 L HA 0.618 4.958 4.340 -0.000 0.000 0.281 348 L C -0.503 176.423 176.870 0.092 0.000 1.014 348 L CA -0.982 53.877 54.840 0.033 0.000 0.815 348 L CB 1.634 43.708 42.059 0.023 0.000 1.247 348 L HN 0.344 nan 8.230 nan 0.000 0.421 349 K N 2.324 122.794 120.400 0.117 0.000 2.426 349 K HA 0.643 4.962 4.320 -0.000 0.000 0.254 349 K C -1.485 175.200 176.600 0.142 0.000 0.936 349 K CA -0.410 55.941 56.287 0.108 0.000 0.801 349 K CB 2.019 34.626 32.500 0.177 0.000 1.139 349 K HN 0.323 nan 8.250 nan 0.000 0.424 350 V N 5.135 125.042 119.914 -0.011 0.000 2.555 350 V HA 0.615 4.735 4.120 -0.000 0.000 0.302 350 V C -0.912 175.053 176.094 -0.214 0.000 1.038 350 V CA -0.653 61.650 62.300 0.005 0.000 0.887 350 V CB 1.110 32.898 31.823 -0.058 0.000 0.991 350 V HN 0.633 nan 8.190 nan 0.000 0.434 351 F N 1.274 121.234 119.950 0.017 0.000 2.577 351 F HA 0.470 4.997 4.527 -0.000 0.000 0.318 351 F C -0.091 175.715 175.800 0.011 0.000 1.065 351 F CA -1.001 57.009 58.000 0.016 0.000 0.929 351 F CB 1.737 40.754 39.000 0.028 0.000 1.237 351 F HN 0.478 nan 8.300 nan 0.000 0.468 352 D N 2.227 122.737 120.400 0.184 0.000 2.411 352 D HA 0.379 5.019 4.640 -0.000 0.000 0.225 352 D C -0.745 175.629 176.300 0.124 0.000 1.156 352 D CA 0.025 54.089 54.000 0.106 0.000 0.874 352 D CB 0.515 41.348 40.800 0.055 0.000 1.034 352 D HN 0.278 nan 8.370 nan 0.000 0.502 353 L N 4.374 125.662 121.223 0.109 0.000 3.168 353 L HA 0.359 4.699 4.340 -0.000 0.000 0.277 353 L C 1.847 178.761 176.870 0.073 0.000 1.308 353 L CA -0.194 54.703 54.840 0.096 0.000 0.976 353 L CB 0.148 42.277 42.059 0.116 0.000 1.383 353 L HN 0.353 nan 8.230 nan 0.000 0.572 354 R N -0.133 120.399 120.500 0.053 0.000 2.091 354 R HA -0.151 4.188 4.340 -0.000 0.000 0.238 354 R C 1.577 177.915 176.300 0.063 0.000 1.136 354 R CA 1.384 57.502 56.100 0.030 0.000 0.959 354 R CB 0.213 30.525 30.300 0.021 0.000 0.856 354 R HN 0.368 nan 8.270 nan 0.000 0.437 355 E N 0.021 120.286 120.200 0.108 0.000 2.058 355 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 355 E C 1.963 178.739 176.600 0.293 0.000 0.997 355 E CA 1.415 57.949 56.400 0.224 0.000 0.801 355 E CB -0.438 29.305 29.700 0.071 0.000 0.746 355 E HN 0.160 nan 8.360 nan 0.000 0.450 356 S N -0.151 115.659 115.700 0.183 0.000 2.383 356 S HA -0.086 4.384 4.470 -0.000 0.000 0.227 356 S C 1.897 176.706 174.600 0.349 0.000 1.026 356 S CA 0.781 59.182 58.200 0.335 0.000 0.981 356 S CB -0.010 63.365 63.200 0.292 0.000 0.818 356 S HN 0.092 nan 8.310 nan 0.000 0.472 357 M N 1.274 120.962 119.600 0.146 0.000 2.213 357 M HA 0.020 4.500 4.480 -0.000 0.000 0.263 357 M C 2.380 178.620 176.300 -0.100 0.000 1.062 357 M CA 1.299 56.582 55.300 -0.028 0.000 1.105 357 M CB -1.566 30.977 32.600 -0.096 0.000 1.385 357 M HN 0.523 nan 8.290 nan 0.000 0.417 358 A N -0.049 122.692 122.820 -0.132 0.000 2.125 358 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 358 A C 1.654 179.151 177.584 -0.145 0.000 1.156 358 A CA 1.394 53.102 52.037 -0.549 0.000 0.671 358 A CB -0.511 17.959 19.000 -0.883 0.000 0.794 358 A HN 0.461 nan 8.150 nan 0.000 0.459 359 N N -1.175 117.652 118.700 0.210 0.000 2.238 359 N HA 0.245 4.985 4.740 -0.000 0.000 0.222 359 N C 0.790 176.303 175.510 0.005 0.000 1.133 359 N CA 0.848 54.056 53.050 0.264 0.000 0.854 359 N CB 0.630 39.502 38.487 0.642 0.000 1.041 359 N HN 0.526 nan 8.380 nan 0.000 0.510 360 G N -0.659 108.133 108.800 -0.014 0.000 2.132 360 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.228 360 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.228 360 G C 0.231 175.191 174.900 0.100 0.000 1.000 360 G CA -0.085 45.023 45.100 0.013 0.000 0.693 360 G HN 0.546 nan 8.290 nan 0.000 0.515 361 G N -0.624 108.225 108.800 0.081 0.000 2.609 361 G HA2 0.799 4.759 3.960 -0.000 0.000 0.308 361 G HA3 0.799 4.759 3.960 -0.000 0.000 0.308 361 G C 0.364 175.478 174.900 0.357 0.000 1.369 361 G CA 0.418 45.663 45.100 0.241 0.000 0.958 361 G HN 1.026 nan 8.290 nan 0.000 0.499 362 G N 1.713 110.773 108.800 0.434 0.000 2.736 362 G HA2 0.624 4.584 3.960 -0.000 0.000 0.229 362 G HA3 0.624 4.584 3.960 -0.000 0.000 0.229 362 G C -1.306 173.748 174.900 0.256 0.000 1.380 362 G CA -1.068 44.244 45.100 0.353 0.000 1.040 362 G HN 0.347 nan 8.290 nan 0.000 0.568 363 P HA -0.109 nan 4.420 nan 0.000 0.214 363 P C 2.082 179.439 177.300 0.096 0.000 1.163 363 P CA 2.560 65.718 63.100 0.096 0.000 0.889 363 P CB 0.046 31.787 31.700 0.068 0.000 0.790 364 A N -0.084 122.802 122.820 0.110 0.000 1.930 364 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 364 A C 2.351 180.011 177.584 0.126 0.000 1.175 364 A CA 2.126 54.218 52.037 0.093 0.000 0.627 364 A CB -1.706 17.340 19.000 0.076 0.000 0.815 364 A HN 0.333 nan 8.150 nan 0.000 0.443 365 S N 0.053 115.861 115.700 0.180 0.000 2.419 365 S HA -0.067 4.403 4.470 -0.000 0.000 0.233 365 S C 1.476 176.290 174.600 0.355 0.000 1.016 365 S CA 1.432 59.784 58.200 0.253 0.000 0.974 365 S CB -0.605 62.767 63.200 0.288 0.000 0.786 365 S HN 0.442 nan 8.310 nan 0.000 0.492 366 L N 0.965 122.363 121.223 0.292 0.000 2.591 366 L HA 0.309 4.649 4.340 -0.000 0.000 0.228 366 L C 0.695 177.646 176.870 0.135 0.000 1.133 366 L CA -0.248 54.718 54.840 0.211 0.000 0.880 366 L CB -0.297 41.846 42.059 0.140 0.000 1.033 366 L HN 0.386 nan 8.230 nan 0.000 0.450 367 R N 0.001 120.579 120.500 0.131 0.000 2.725 367 R HA 0.668 5.008 4.340 -0.000 0.000 0.277 367 R C -1.408 174.962 176.300 0.116 0.000 0.987 367 R CA -0.744 55.425 56.100 0.115 0.000 0.901 367 R CB 1.496 31.840 30.300 0.074 0.000 1.207 367 R HN -0.120 nan 8.270 nan 0.000 0.463 368 L N 1.820 123.130 121.223 0.145 0.000 2.342 368 L HA 0.542 4.882 4.340 -0.000 0.000 0.276 368 L C -0.824 176.131 176.870 0.141 0.000 0.997 368 L CA -0.556 54.347 54.840 0.104 0.000 0.838 368 L CB 1.503 43.598 42.059 0.061 0.000 1.224 368 L HN 0.674 nan 8.230 nan 0.000 0.416 369 R N 4.103 124.656 120.500 0.088 0.000 2.316 369 R HA 0.516 4.856 4.340 -0.000 0.000 0.314 369 R C -1.059 175.279 176.300 0.064 0.000 1.069 369 R CA -0.305 55.846 56.100 0.085 0.000 0.959 369 R CB 0.818 31.140 30.300 0.037 0.000 0.987 369 R HN 0.469 nan 8.270 nan 0.000 0.446 370 V N 4.576 124.572 119.914 0.136 0.000 2.380 370 V HA 0.141 4.261 4.120 -0.000 0.000 0.286 370 V C -0.009 176.167 176.094 0.137 0.000 1.015 370 V CA -0.888 61.474 62.300 0.103 0.000 0.834 370 V CB 1.723 33.612 31.823 0.109 0.000 1.009 370 V HN 0.472 nan 8.190 nan 0.000 0.428 371 V N 7.303 127.255 119.914 0.064 0.000 2.439 371 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 371 V C -0.039 176.137 176.094 0.136 0.000 1.040 371 V CA 0.335 62.673 62.300 0.062 0.000 1.002 371 V CB 0.872 32.724 31.823 0.049 0.000 1.000 371 V HN 0.634 nan 8.190 nan 0.000 0.477 372 L N 4.887 126.207 121.223 0.161 0.000 2.381 372 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 372 L C 0.495 177.394 176.870 0.048 0.000 0.997 372 L CA -0.615 54.318 54.840 0.156 0.000 0.818 372 L CB 2.515 44.719 42.059 0.242 0.000 1.310 372 L HN 0.670 nan 8.230 nan 0.000 0.416 373 T N -3.164 111.397 114.554 0.011 0.000 2.788 373 T HA 0.097 4.447 4.350 -0.000 0.000 0.287 373 T C 0.953 175.550 174.700 -0.171 0.000 1.007 373 T CA -0.257 61.795 62.100 -0.080 0.000 1.005 373 T CB 1.274 70.111 68.868 -0.052 0.000 1.012 373 T HN 0.818 nan 8.240 nan 0.000 0.530 374 E N 0.272 120.312 120.200 -0.265 0.000 2.070 374 E HA -0.299 4.051 4.350 -0.000 0.000 0.197 374 E C 1.950 178.449 176.600 -0.167 0.000 1.004 374 E CA 1.827 58.039 56.400 -0.313 0.000 0.805 374 E CB -0.172 29.361 29.700 -0.278 0.000 0.744 374 E HN 0.889 nan 8.360 nan 0.000 0.451 375 E N -0.006 120.126 120.200 -0.113 0.000 2.150 375 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 375 E C 1.871 178.441 176.600 -0.049 0.000 0.985 375 E CA 1.307 57.661 56.400 -0.076 0.000 0.814 375 E CB 0.080 29.735 29.700 -0.076 0.000 0.752 375 E HN 0.392 nan 8.360 nan 0.000 0.466 376 E N -0.014 120.166 120.200 -0.034 0.000 2.072 376 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 376 E C 2.245 178.975 176.600 0.218 0.000 0.982 376 E CA 0.566 56.999 56.400 0.054 0.000 0.803 376 E CB -0.001 29.746 29.700 0.079 0.000 0.755 376 E HN 0.100 nan 8.360 nan 0.000 0.453 377 R N 0.657 121.216 120.500 0.098 0.000 2.091 377 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 377 R C 2.317 178.659 176.300 0.069 0.000 1.136 377 R CA 1.371 57.522 56.100 0.085 0.000 0.959 377 R CB -0.097 30.169 30.300 -0.057 0.000 0.856 377 R HN -0.099 nan 8.270 nan 0.000 0.437 378 R N 0.206 120.722 120.500 0.026 0.000 2.189 378 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 378 R C 1.537 177.870 176.300 0.055 0.000 1.092 378 R CA 1.502 57.612 56.100 0.017 0.000 0.989 378 R CB -0.245 30.046 30.300 -0.015 0.000 0.876 378 R HN 0.253 nan 8.270 nan 0.000 0.457 379 A N -0.322 122.573 122.820 0.126 0.000 2.169 379 A HA 0.201 4.520 4.320 -0.000 0.000 0.212 379 A C 0.382 178.115 177.584 0.248 0.000 1.153 379 A CA 0.024 52.181 52.037 0.199 0.000 0.756 379 A CB 0.089 19.218 19.000 0.214 0.000 0.813 379 A HN 0.067 nan 8.150 nan 0.000 0.471 380 V N 1.794 121.798 119.914 0.150 0.000 2.811 380 V HA 0.010 4.130 4.120 -0.000 0.000 0.302 380 V C 0.703 176.736 176.094 -0.101 0.000 1.063 380 V CA -0.739 61.505 62.300 -0.093 0.000 1.088 380 V CB 0.602 32.360 31.823 -0.107 0.000 0.982 380 V HN 0.556 nan 8.190 nan 0.000 0.485 381 N N 5.691 124.282 118.700 -0.182 0.000 2.386 381 N HA 0.006 4.746 4.740 -0.000 0.000 0.273 381 N C -1.614 173.838 175.510 -0.097 0.000 1.331 381 N CA -1.073 51.904 53.050 -0.121 0.000 0.891 381 N CB 1.270 39.671 38.487 -0.143 0.000 1.139 381 N HN 0.344 nan 8.380 nan 0.000 0.487 382 P HA -0.105 nan 4.420 nan 0.000 0.218 382 P C 0.746 178.011 177.300 -0.058 0.000 1.148 382 P CA 1.188 64.257 63.100 -0.051 0.000 0.822 382 P CB 0.133 31.814 31.700 -0.031 0.000 0.784 383 A N -0.389 122.395 122.820 -0.060 0.000 2.125 383 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 383 A C 1.937 179.478 177.584 -0.071 0.000 1.156 383 A CA 1.827 53.828 52.037 -0.059 0.000 0.671 383 A CB -1.392 17.572 19.000 -0.059 0.000 0.794 383 A HN 0.268 nan 8.150 nan 0.000 0.459 384 V N -4.246 115.617 119.914 -0.086 0.000 3.621 384 V HA 0.295 4.415 4.120 -0.000 0.000 0.285 384 V C 0.421 176.438 176.094 -0.129 0.000 1.346 384 V CA -0.387 61.857 62.300 -0.093 0.000 1.104 384 V CB -0.568 31.211 31.823 -0.074 0.000 0.913 384 V HN 0.292 nan 8.190 nan 0.000 0.432 385 M N 1.850 121.377 119.600 -0.122 0.000 2.200 385 M HA 0.438 4.918 4.480 -0.000 0.000 0.355 385 M C -0.117 176.131 176.300 -0.087 0.000 1.283 385 M CA -0.291 54.927 55.300 -0.137 0.000 1.124 385 M CB 0.663 33.206 32.600 -0.095 0.000 1.625 385 M HN 0.393 nan 8.290 nan 0.000 0.463 386 M N 5.179 124.724 119.600 -0.091 0.000 2.228 386 M HA 0.247 4.727 4.480 -0.000 0.000 0.351 386 M C -0.604 175.682 176.300 -0.023 0.000 1.233 386 M CA 0.474 55.751 55.300 -0.039 0.000 1.129 386 M CB -0.104 32.470 32.600 -0.044 0.000 1.604 386 M HN 0.807 nan 8.290 nan 0.000 0.457 387 N N 1.461 120.168 118.700 0.011 0.000 3.373 387 N HA 0.277 5.017 4.740 -0.000 0.000 0.275 387 N C -0.461 175.084 175.510 0.058 0.000 1.489 387 N CA -0.659 52.395 53.050 0.007 0.000 0.872 387 N CB 0.050 38.539 38.487 0.004 0.000 1.555 387 N HN 0.482 nan 8.380 nan 0.000 0.500 388 D N -0.134 120.295 120.400 0.047 0.000 2.106 388 D HA -0.141 4.499 4.640 -0.000 0.000 0.191 388 D C 1.059 177.441 176.300 0.137 0.000 0.997 388 D CA 2.283 56.344 54.000 0.102 0.000 0.834 388 D CB -0.296 40.540 40.800 0.060 0.000 0.956 388 D HN 0.650 nan 8.370 nan 0.000 0.448 389 T N 1.530 116.131 114.554 0.079 0.000 2.652 389 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 389 T C 1.955 176.693 174.700 0.064 0.000 1.039 389 T CA 0.831 62.968 62.100 0.061 0.000 1.153 389 T CB -0.463 68.424 68.868 0.033 0.000 0.863 389 T HN 0.039 nan 8.240 nan 0.000 0.428 390 L N 0.466 121.727 121.223 0.063 0.000 2.083 390 L HA 0.068 4.408 4.340 -0.000 0.000 0.209 390 L C 2.026 178.947 176.870 0.086 0.000 1.083 390 L CA 1.515 56.383 54.840 0.046 0.000 0.752 390 L CB -0.928 41.146 42.059 0.025 0.000 0.899 390 L HN 0.210 nan 8.230 nan 0.000 0.433 391 F N 0.722 120.663 119.950 -0.015 0.000 2.069 391 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 391 F C 2.361 178.166 175.800 0.009 0.000 1.113 391 F CA 2.046 60.043 58.000 -0.005 0.000 1.214 391 F CB -0.565 38.434 39.000 -0.001 0.000 0.978 391 F HN 0.258 nan 8.300 nan 0.000 0.474 392 N N 0.762 119.470 118.700 0.012 0.000 2.120 392 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 392 N C 2.024 177.486 175.510 -0.079 0.000 1.024 392 N CA 1.473 54.477 53.050 -0.078 0.000 0.852 392 N CB -0.909 37.599 38.487 0.035 0.000 1.003 392 N HN 0.425 nan 8.380 nan 0.000 0.424 393 A N 1.274 124.081 122.820 -0.022 0.000 1.877 393 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 393 A C 2.206 179.804 177.584 0.024 0.000 1.186 393 A CA 1.038 53.080 52.037 0.008 0.000 0.620 393 A CB -0.655 18.348 19.000 0.005 0.000 0.822 393 A HN 0.108 nan 8.150 nan 0.000 0.443 394 L N 0.681 121.884 121.223 -0.034 0.000 2.083 394 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 394 L C 2.092 178.971 176.870 0.015 0.000 1.083 394 L CA 1.593 56.432 54.840 -0.003 0.000 0.752 394 L CB -1.030 40.990 42.059 -0.066 0.000 0.899 394 L HN 0.401 nan 8.230 nan 0.000 0.433 395 N N -0.497 118.098 118.700 -0.175 0.000 2.188 395 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 395 N C 1.335 176.795 175.510 -0.082 0.000 1.018 395 N CA 1.205 54.128 53.050 -0.211 0.000 0.858 395 N CB -0.121 38.126 38.487 -0.400 0.000 0.989 395 N HN 0.388 nan 8.380 nan 0.000 0.426 396 D N -0.093 120.294 120.400 -0.022 0.000 2.123 396 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 396 D C 1.714 178.068 176.300 0.090 0.000 0.976 396 D CA 0.413 54.421 54.000 0.015 0.000 0.831 396 D CB -0.341 40.476 40.800 0.028 0.000 0.974 396 D HN 0.311 nan 8.370 nan 0.000 0.469 397 W N 1.923 123.217 121.300 -0.009 0.000 2.335 397 W HA -0.232 4.428 4.660 -0.000 0.000 0.311 397 W C 2.130 178.740 176.519 0.153 0.000 1.213 397 W CA 1.285 58.699 57.345 0.116 0.000 1.274 397 W CB -0.480 29.056 29.460 0.127 0.000 1.148 397 W HN -0.249 nan 8.180 nan 0.000 0.498 398 V N 0.949 120.929 119.914 0.109 0.000 2.295 398 V HA -0.325 3.794 4.120 -0.000 0.000 0.246 398 V C 2.085 178.118 176.094 -0.102 0.000 1.049 398 V CA 2.439 64.616 62.300 -0.204 0.000 1.024 398 V CB -0.953 30.633 31.823 -0.395 0.000 0.648 398 V HN 0.103 nan 8.190 nan 0.000 0.447 399 D N -0.390 119.953 120.400 -0.096 0.000 2.218 399 D HA -0.132 4.508 4.640 -0.000 0.000 0.204 399 D C 2.399 178.612 176.300 -0.146 0.000 0.976 399 D CA 1.040 54.984 54.000 -0.094 0.000 0.853 399 D CB -0.127 40.622 40.800 -0.084 0.000 0.939 399 D HN 0.428 nan 8.370 nan 0.000 0.481 400 R N -0.898 119.458 120.500 -0.240 0.000 2.093 400 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 400 R C 1.488 177.370 176.300 -0.697 0.000 1.101 400 R CA 0.912 56.706 56.100 -0.509 0.000 0.979 400 R CB 0.040 29.908 30.300 -0.720 0.000 0.877 400 R HN 0.321 nan 8.270 nan 0.000 0.441 401 Y N -2.598 117.582 120.300 -0.201 0.000 2.467 401 Y HA 0.202 4.752 4.550 -0.000 0.000 0.259 401 Y C -0.032 175.739 175.900 -0.215 0.000 1.084 401 Y CA -0.709 57.236 58.100 -0.260 0.000 1.275 401 Y CB 0.415 38.578 38.460 -0.496 0.000 1.208 401 Y HN -0.152 nan 8.280 nan 0.000 0.511 402 Y N 2.033 122.235 120.300 -0.164 0.000 2.309 402 Y HA 0.349 4.899 4.550 -0.000 0.000 0.327 402 Y C 0.576 176.422 175.900 -0.089 0.000 1.172 402 Y CA -1.221 56.804 58.100 -0.124 0.000 1.280 402 Y CB 0.475 38.865 38.460 -0.116 0.000 1.234 402 Y HN -0.144 nan 8.280 nan 0.000 0.512 403 R N 1.551 122.071 120.500 0.035 0.000 2.532 403 R HA 0.144 4.484 4.340 -0.000 0.000 0.272 403 R C 0.088 176.417 176.300 0.048 0.000 1.032 403 R CA -0.533 55.575 56.100 0.014 0.000 1.089 403 R CB 0.665 30.950 30.300 -0.025 0.000 1.098 403 R HN 0.666 nan 8.270 nan 0.000 0.526 404 D N 0.187 120.605 120.400 0.030 0.000 2.323 404 D HA -0.040 4.599 4.640 -0.000 0.000 0.209 404 D C 0.431 176.757 176.300 0.043 0.000 0.973 404 D CA 0.612 54.634 54.000 0.037 0.000 0.874 404 D CB 0.326 41.139 40.800 0.022 0.000 0.930 404 D HN 0.267 nan 8.370 nan 0.000 0.521 405 R N -0.547 119.972 120.500 0.031 0.000 2.698 405 R HA 0.624 4.964 4.340 -0.000 0.000 0.275 405 R C -2.246 174.061 176.300 0.012 0.000 1.001 405 R CA -0.903 55.216 56.100 0.032 0.000 0.896 405 R CB 1.563 31.880 30.300 0.028 0.000 1.218 405 R HN 0.060 nan 8.270 nan 0.000 0.462 406 L N 1.557 122.786 121.223 0.010 0.000 2.591 406 L HA 0.529 4.869 4.340 -0.000 0.000 0.257 406 L C -1.560 175.306 176.870 -0.007 0.000 0.935 406 L CA 0.031 54.859 54.840 -0.021 0.000 0.873 406 L CB 2.479 44.509 42.059 -0.048 0.000 1.397 406 L HN 0.920 nan 8.230 nan 0.000 0.414 407 T N 0.652 115.198 114.554 -0.014 0.000 2.896 407 T HA 0.704 5.054 4.350 -0.000 0.000 0.297 407 T C 0.855 175.551 174.700 -0.007 0.000 1.108 407 T CA -0.111 62.012 62.100 0.039 0.000 1.004 407 T CB 1.603 70.512 68.868 0.068 0.000 1.159 407 T HN 0.967 nan 8.240 nan 0.000 0.499 408 A N 1.341 124.217 122.820 0.095 0.000 1.958 408 A HA 0.100 4.419 4.320 -0.000 0.000 0.221 408 A C 2.557 180.131 177.584 -0.017 0.000 1.178 408 A CA 2.499 54.566 52.037 0.050 0.000 0.642 408 A CB -1.528 17.689 19.000 0.363 0.000 0.816 408 A HN 1.508 nan 8.150 nan 0.000 0.453 409 A N -0.139 122.683 122.820 0.003 0.000 1.972 409 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 409 A C 1.680 179.232 177.584 -0.054 0.000 1.169 409 A CA 1.732 53.749 52.037 -0.033 0.000 0.635 409 A CB -0.480 18.504 19.000 -0.026 0.000 0.810 409 A HN 0.543 nan 8.150 nan 0.000 0.446 410 D N 0.126 120.489 120.400 -0.062 0.000 2.269 410 D HA -0.043 4.596 4.640 -0.000 0.000 0.208 410 D C 1.705 177.944 176.300 -0.103 0.000 0.963 410 D CA 0.581 54.536 54.000 -0.076 0.000 0.864 410 D CB -0.241 40.515 40.800 -0.073 0.000 0.936 410 D HN 0.489 nan 8.370 nan 0.000 0.505 411 L N 0.699 121.841 121.223 -0.135 0.000 2.447 411 L HA -0.124 4.216 4.340 -0.000 0.000 0.225 411 L C 2.267 179.075 176.870 -0.104 0.000 1.148 411 L CA 0.611 55.360 54.840 -0.151 0.000 0.808 411 L CB -0.381 41.557 42.059 -0.201 0.000 0.928 411 L HN -0.023 nan 8.230 nan 0.000 0.448 412 A N -1.497 121.271 122.820 -0.087 0.000 2.195 412 A HA -0.062 4.258 4.320 -0.000 0.000 0.210 412 A C 0.880 178.422 177.584 -0.070 0.000 1.165 412 A CA -0.111 51.880 52.037 -0.076 0.000 0.806 412 A CB -0.174 18.783 19.000 -0.071 0.000 0.847 412 A HN 0.252 nan 8.150 nan 0.000 0.482 413 D N 1.402 121.759 120.400 -0.072 0.000 2.402 413 D HA 0.009 4.649 4.640 -0.000 0.000 0.268 413 D C -1.102 175.158 176.300 -0.067 0.000 1.294 413 D CA -1.405 52.556 54.000 -0.065 0.000 0.945 413 D CB 0.960 41.720 40.800 -0.068 0.000 1.112 413 D HN 0.192 nan 8.370 nan 0.000 0.517 414 P HA -0.226 nan 4.420 nan 0.000 0.218 414 P C 1.207 178.470 177.300 -0.061 0.000 1.146 414 P CA 1.001 64.067 63.100 -0.056 0.000 0.813 414 P CB 0.473 32.146 31.700 -0.044 0.000 0.778 415 Q N 0.125 119.890 119.800 -0.058 0.000 2.119 415 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 415 Q C 2.173 178.127 176.000 -0.077 0.000 0.972 415 Q CA 1.005 56.774 55.803 -0.058 0.000 0.847 415 Q CB -1.368 27.341 28.738 -0.049 0.000 0.903 415 Q HN 0.139 nan 8.270 nan 0.000 0.433 416 L N -0.199 120.971 121.223 -0.088 0.000 2.042 416 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 416 L C 2.051 178.841 176.870 -0.134 0.000 1.076 416 L CA 1.605 56.377 54.840 -0.114 0.000 0.749 416 L CB -0.833 41.154 42.059 -0.119 0.000 0.893 416 L HN 0.443 nan 8.230 nan 0.000 0.432 417 L N -0.369 120.783 121.223 -0.119 0.000 2.012 417 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 417 L C 2.679 179.453 176.870 -0.160 0.000 1.073 417 L CA 1.813 56.573 54.840 -0.134 0.000 0.748 417 L CB -0.640 41.358 42.059 -0.103 0.000 0.891 417 L HN 0.246 nan 8.230 nan 0.000 0.431 418 R N -0.477 119.950 120.500 -0.121 0.000 2.070 418 R HA -0.174 4.166 4.340 -0.000 0.000 0.233 418 R C 2.203 178.422 176.300 -0.135 0.000 1.137 418 R CA 1.926 57.959 56.100 -0.111 0.000 0.945 418 R CB -0.421 29.841 30.300 -0.062 0.000 0.845 418 R HN 0.513 nan 8.270 nan 0.000 0.430 419 E N -0.737 119.395 120.200 -0.114 0.000 2.114 419 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 419 E C 1.987 178.432 176.600 -0.259 0.000 1.008 419 E CA 1.325 57.661 56.400 -0.106 0.000 0.810 419 E CB -0.257 29.395 29.700 -0.079 0.000 0.739 419 E HN 0.521 nan 8.360 nan 0.000 0.456 420 G N 1.036 109.665 108.800 -0.284 0.000 2.404 420 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 420 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 420 G C 1.556 176.203 174.900 -0.422 0.000 1.174 420 G CA 0.306 45.192 45.100 -0.356 0.000 0.780 420 G HN 0.018 nan 8.290 nan 0.000 0.537 421 R N 0.549 120.775 120.500 -0.457 0.000 2.083 421 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 421 R C 2.364 178.465 176.300 -0.333 0.000 1.137 421 R CA 1.501 57.201 56.100 -0.666 0.000 0.951 421 R CB -0.989 28.993 30.300 -0.531 0.000 0.851 421 R HN 0.637 nan 8.270 nan 0.000 0.434 422 E N 0.445 120.503 120.200 -0.237 0.000 2.077 422 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 422 E C 1.890 178.285 176.600 -0.342 0.000 0.989 422 E CA 1.138 57.438 56.400 -0.166 0.000 0.800 422 E CB -0.030 29.614 29.700 -0.094 0.000 0.746 422 E HN 0.287 nan 8.360 nan 0.000 0.452 423 A N 1.278 123.673 122.820 -0.708 0.000 1.883 423 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 423 A C 2.242 179.889 177.584 0.105 0.000 1.186 423 A CA 1.390 52.917 52.037 -0.851 0.000 0.624 423 A CB -0.766 17.647 19.000 -0.978 0.000 0.822 423 A HN 0.349 nan 8.150 nan 0.000 0.444 424 L N -0.838 120.407 121.223 0.036 0.000 2.093 424 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 424 L C 2.403 179.445 176.870 0.287 0.000 1.085 424 L CA 1.554 56.480 54.840 0.144 0.000 0.755 424 L CB -0.592 41.380 42.059 -0.145 0.000 0.904 424 L HN 0.409 nan 8.230 nan 0.000 0.435 425 D N -0.088 120.497 120.400 0.310 0.000 2.117 425 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 425 D C 2.203 178.620 176.300 0.194 0.000 0.987 425 D CA 1.136 55.308 54.000 0.287 0.000 0.829 425 D CB 0.244 41.205 40.800 0.268 0.000 0.961 425 D HN 0.064 nan 8.370 nan 0.000 0.460 426 V N 1.008 121.041 119.914 0.198 0.000 2.358 426 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 426 V C 2.577 178.756 176.094 0.140 0.000 1.047 426 V CA 0.972 63.402 62.300 0.217 0.000 1.035 426 V CB -0.370 31.667 31.823 0.356 0.000 0.658 426 V HN 0.186 nan 8.190 nan 0.000 0.452 427 L N 1.100 122.393 121.223 0.117 0.000 2.046 427 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 427 L C 2.754 179.586 176.870 -0.064 0.000 1.077 427 L CA 2.465 57.176 54.840 -0.215 0.000 0.747 427 L CB -0.778 41.048 42.059 -0.388 0.000 0.896 427 L HN 0.531 nan 8.230 nan 0.000 0.432 428 S N -1.512 114.242 115.700 0.090 0.000 2.383 428 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 428 S C 1.874 176.481 174.600 0.012 0.000 1.030 428 S CA 1.441 59.687 58.200 0.078 0.000 1.002 428 S CB -0.641 62.640 63.200 0.136 0.000 0.829 428 S HN 0.659 nan 8.310 nan 0.000 0.467 429 Q N 0.601 120.415 119.800 0.024 0.000 2.049 429 Q HA 0.184 4.524 4.340 -0.000 0.000 0.198 429 Q C 2.333 178.324 176.000 -0.014 0.000 0.971 429 Q CA 1.149 56.959 55.803 0.011 0.000 0.833 429 Q CB -0.345 28.416 28.738 0.037 0.000 0.896 429 Q HN 0.497 nan 8.270 nan 0.000 0.434 430 L N 0.572 121.774 121.223 -0.034 0.000 2.012 430 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 430 L C 1.600 178.424 176.870 -0.077 0.000 1.073 430 L CA 1.443 56.245 54.840 -0.065 0.000 0.748 430 L CB -0.068 41.908 42.059 -0.138 0.000 0.891 430 L HN 0.311 nan 8.230 nan 0.000 0.431 431 L N -0.228 120.938 121.223 -0.094 0.000 2.612 431 L HA 0.034 4.373 4.340 -0.000 0.000 0.230 431 L C 0.542 177.371 176.870 -0.068 0.000 1.140 431 L CA -0.014 54.774 54.840 -0.087 0.000 0.896 431 L CB -0.665 41.334 42.059 -0.100 0.000 1.065 431 L HN 0.464 nan 8.230 nan 0.000 0.447 432 N N 0.759 119.428 118.700 -0.053 0.000 2.688 432 N HA -0.232 4.507 4.740 -0.000 0.000 0.258 432 N C 0.214 175.688 175.510 -0.060 0.000 1.016 432 N CA 0.435 53.457 53.050 -0.046 0.000 0.747 432 N CB -0.869 37.593 38.487 -0.043 0.000 0.895 432 N HN 0.387 nan 8.380 nan 0.000 0.543 433 L N -0.389 120.794 121.223 -0.066 0.000 2.638 433 L HA 0.399 4.739 4.340 -0.000 0.000 0.232 433 L C 1.724 178.535 176.870 -0.099 0.000 1.099 433 L CA 0.216 54.999 54.840 -0.095 0.000 0.883 433 L CB -0.226 41.757 42.059 -0.126 0.000 1.136 433 L HN 0.593 nan 8.230 nan 0.000 0.492 434 G N 0.797 109.555 108.800 -0.070 0.000 2.645 434 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.239 434 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.239 434 G C 0.071 174.916 174.900 -0.091 0.000 1.331 434 G CA -0.123 44.936 45.100 -0.068 0.000 0.890 434 G HN 0.308 nan 8.290 nan 0.000 0.572 435 S N -0.386 115.254 115.700 -0.099 0.000 3.900 435 S HA 0.379 4.848 4.470 -0.000 0.000 0.248 435 S C 1.070 175.567 174.600 -0.171 0.000 1.310 435 S CA 0.329 58.448 58.200 -0.134 0.000 0.915 435 S CB 1.241 64.368 63.200 -0.122 0.000 1.588 435 S HN 1.705 nan 8.310 nan 0.000 0.472 436 V N 2.094 121.856 119.914 -0.254 0.000 3.174 436 V HA 0.211 4.331 4.120 -0.000 0.000 0.254 436 V C -0.345 175.495 176.094 -0.423 0.000 1.120 436 V CA 0.471 62.550 62.300 -0.367 0.000 1.114 436 V CB -0.362 31.166 31.823 -0.493 0.000 0.756 436 V HN 0.775 nan 8.190 nan 0.000 0.467 437 Y N 0.448 120.684 120.300 -0.107 0.000 2.310 437 Y HA 0.357 4.907 4.550 -0.000 0.000 0.326 437 Y C -1.098 174.766 175.900 -0.060 0.000 1.151 437 Y CA -2.073 56.013 58.100 -0.023 0.000 1.195 437 Y CB 0.559 39.115 38.460 0.160 0.000 1.210 437 Y HN 0.024 nan 8.280 nan 0.000 0.483 438 P HA -0.270 nan 4.420 nan 0.000 0.216 438 P C 1.334 178.724 177.300 0.150 0.000 1.154 438 P CA 1.788 65.023 63.100 0.225 0.000 0.865 438 P CB -0.128 31.804 31.700 0.387 0.000 0.789 439 F N -0.434 119.617 119.950 0.167 0.000 2.546 439 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 439 F C 1.564 177.414 175.800 0.084 0.000 1.120 439 F CA 0.846 58.903 58.000 0.094 0.000 1.456 439 F CB -1.315 37.733 39.000 0.080 0.000 1.088 439 F HN -0.046 nan 8.300 nan 0.000 0.572 440 Q N 0.419 119.765 119.800 -0.757 0.000 2.392 440 Q HA 0.180 4.520 4.340 -0.000 0.000 0.203 440 Q C 0.569 176.432 176.000 -0.228 0.000 0.917 440 Q CA 0.045 55.491 55.803 -0.594 0.000 0.939 440 Q CB 0.283 28.644 28.738 -0.629 0.000 1.063 440 Q HN 0.453 nan 8.270 nan 0.000 0.516 441 R N 0.000 120.417 120.500 -0.138 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 441 R CA 0.000 56.061 56.100 -0.065 0.000 0.921 441 R CB 0.000 30.276 30.300 -0.039 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535