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 2jch_1_A DATA FIRST_RESID 106 DATA SEQUENCE SEITYSDGTV IASIXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XDYLYFTTLA EAQERMYDYL DATA SEQUENCE AQRDNVSAXX XXXXATQKFY RDLAAKEIEN GGYKITTTID QKIHSAMQSA DATA SEQUENCE VADYGYLLDD GTGRVEVGNV LMDNQTGAIL GFVGGRNYQE NQNNHAFDTK DATA SEQUENCE RSPASTTKPL LAYGIAIDQG LMGSETILSN YPTNFANGNP IMYANSKGTG DATA SEQUENCE MMTLGEALNY SWNIPAYWTY RMLRENGVDV KGYMEKMGYE IPEYGIESLP DATA SEQUENCE MGGGIEVTVA QHTNGYQTLA NNGVYHQKHV ISKIEAADGR VVYEYQDKPV DATA SEQUENCE QVYSKATATI MQGLLREVLS SRVTTTFKSN LTSLNPTLAN ADWIGKTGTT DATA SEQUENCE NQDENMWLML STPRLTLGGW IGHDDNHSLS QQAGYSNNSN YMAHLVNAIQ DATA SEQUENCE QASPSIWGNE RFALDPSVVK SEVLKSTGQK PGKVSVEGKE VEVTGSTVTS DATA SEQUENCE YWANKSGAPA TSYRFAIGGS DADYQNAWSS IVGS 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 106 S HA 0.000 nan 4.470 nan 0.000 0.327 106 S C 0.000 174.637 174.600 0.062 0.000 1.055 106 S CA 0.000 58.248 58.200 0.080 0.000 1.107 106 S CB 0.000 63.274 63.200 0.124 0.000 0.593 107 E N 1.725 121.961 120.200 0.061 0.000 2.433 107 E HA 0.726 5.076 4.350 -0.000 0.000 0.273 107 E C -1.383 175.232 176.600 0.024 0.000 0.950 107 E CA -1.018 55.405 56.400 0.038 0.000 0.796 107 E CB 1.275 30.986 29.700 0.018 0.000 1.330 107 E HN 0.338 nan 8.360 nan 0.000 0.455 108 I N 1.156 121.726 120.570 0.001 0.000 2.339 108 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 108 I C 0.011 176.078 176.117 -0.083 0.000 0.994 108 I CA -0.367 60.907 61.300 -0.043 0.000 1.191 108 I CB 1.615 39.571 38.000 -0.073 0.000 1.343 108 I HN 0.575 nan 8.210 nan 0.000 0.458 109 T N 2.278 116.792 114.554 -0.067 0.000 2.940 109 T HA 0.631 4.981 4.350 -0.000 0.000 0.288 109 T C -0.243 174.404 174.700 -0.087 0.000 1.033 109 T CA -0.568 61.498 62.100 -0.057 0.000 1.033 109 T CB 0.834 69.717 68.868 0.024 0.000 1.079 109 T HN 0.228 nan 8.240 nan 0.000 0.496 110 Y N 0.791 121.086 120.300 -0.009 0.000 2.281 110 Y HA 0.308 4.858 4.550 -0.000 0.000 0.337 110 Y C 2.444 178.342 175.900 -0.004 0.000 1.304 110 Y CA 0.026 58.117 58.100 -0.015 0.000 1.465 110 Y CB 0.422 38.872 38.460 -0.017 0.000 1.350 110 Y HN 0.803 nan 8.280 nan 0.000 0.575 111 S N 0.367 116.195 115.700 0.213 0.000 2.407 111 S HA -0.231 4.239 4.470 -0.000 0.000 0.235 111 S C 1.367 176.017 174.600 0.082 0.000 1.036 111 S CA 1.825 60.091 58.200 0.109 0.000 1.013 111 S CB -0.514 62.732 63.200 0.076 0.000 0.820 111 S HN 0.835 nan 8.310 nan 0.000 0.476 112 D N -0.676 119.775 120.400 0.085 0.000 2.363 112 D HA 0.163 4.803 4.640 -0.000 0.000 0.226 112 D C 1.306 177.640 176.300 0.057 0.000 1.020 112 D CA 0.981 55.009 54.000 0.046 0.000 0.892 112 D CB -0.691 40.115 40.800 0.010 0.000 0.900 112 D HN 0.463 nan 8.370 nan 0.000 0.531 113 G N -0.694 108.156 108.800 0.084 0.000 2.234 113 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.235 113 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.235 113 G C 0.555 175.510 174.900 0.091 0.000 0.997 113 G CA 0.201 45.343 45.100 0.071 0.000 0.623 113 G HN 0.473 nan 8.290 nan 0.000 0.514 114 T N 1.609 116.242 114.554 0.130 0.000 2.946 114 T HA 0.357 4.707 4.350 -0.000 0.000 0.311 114 T C 0.848 175.661 174.700 0.187 0.000 1.063 114 T CA 0.302 62.499 62.100 0.162 0.000 1.139 114 T CB 1.805 70.782 68.868 0.182 0.000 0.994 114 T HN 0.551 nan 8.240 nan 0.000 0.547 115 V N 5.713 125.695 119.914 0.114 0.000 2.446 115 V HA 0.060 4.180 4.120 -0.000 0.000 0.276 115 V C 1.610 177.721 176.094 0.028 0.000 1.030 115 V CA 0.098 62.427 62.300 0.049 0.000 1.033 115 V CB -0.042 31.794 31.823 0.023 0.000 0.993 115 V HN 0.789 nan 8.190 nan 0.000 0.477 116 I N 3.910 124.400 120.570 -0.133 0.000 2.133 116 I HA 0.112 4.282 4.170 -0.000 0.000 0.238 116 I C 1.107 177.155 176.117 -0.116 0.000 1.074 116 I CA 1.670 62.818 61.300 -0.252 0.000 1.342 116 I CB -0.068 37.642 38.000 -0.484 0.000 1.053 116 I HN 0.754 nan 8.210 nan 0.000 0.404 117 A N -0.665 122.099 122.820 -0.093 0.000 2.490 117 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 117 A C -0.868 176.687 177.584 -0.047 0.000 1.047 117 A CA -0.604 51.372 52.037 -0.103 0.000 0.632 117 A CB 0.496 19.351 19.000 -0.242 0.000 1.323 117 A HN 0.079 nan 8.150 nan 0.000 0.448 118 S N -0.145 115.518 115.700 -0.061 0.000 2.722 118 S HA 0.806 5.276 4.470 -0.000 0.000 0.292 118 S C 0.381 174.991 174.600 0.015 0.000 1.135 118 S CA -0.594 57.601 58.200 -0.007 0.000 1.003 118 S CB 0.804 63.997 63.200 -0.011 0.000 1.067 118 S HN 0.782 nan 8.310 nan 0.000 0.546 338 Y N 1.198 121.354 120.300 -0.241 0.000 2.256 338 Y HA -0.117 4.433 4.550 -0.000 0.000 0.288 338 Y C 2.302 178.397 175.900 0.325 0.000 1.155 338 Y CA 1.004 59.213 58.100 0.183 0.000 1.203 338 Y CB -0.175 38.566 38.460 0.468 0.000 0.980 338 Y HN 0.100 nan 8.280 nan 0.000 0.530 339 L N -0.573 120.867 121.223 0.361 0.000 1.994 339 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 339 L C 2.259 179.181 176.870 0.086 0.000 1.071 339 L CA 1.787 56.761 54.840 0.223 0.000 0.745 339 L CB -1.356 40.673 42.059 -0.050 0.000 0.892 339 L HN 0.354 nan 8.230 nan 0.000 0.431 340 Y N -0.709 119.506 120.300 -0.142 0.000 2.097 340 Y HA -0.346 4.203 4.550 -0.000 0.000 0.282 340 Y C 2.214 177.924 175.900 -0.318 0.000 1.152 340 Y CA 2.255 60.175 58.100 -0.301 0.000 1.136 340 Y CB -0.442 37.740 38.460 -0.464 0.000 0.975 340 Y HN 0.225 nan 8.280 nan 0.000 0.498 341 F N -0.187 119.650 119.950 -0.189 0.000 2.186 341 F HA -0.189 4.338 4.527 0.000 0.000 0.299 341 F C 2.496 178.153 175.800 -0.238 0.000 1.090 341 F CA 1.892 59.743 58.000 -0.249 0.000 1.307 341 F CB -1.074 37.902 39.000 -0.040 0.000 1.019 341 F HN -0.028 nan 8.300 nan 0.000 0.489 342 T N -1.193 113.354 114.554 -0.013 0.000 2.857 342 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 342 T C 1.962 176.470 174.700 -0.320 0.000 1.048 342 T CA 1.815 63.757 62.100 -0.264 0.000 1.139 342 T CB -0.491 68.056 68.868 -0.535 0.000 0.874 342 T HN 0.259 nan 8.240 nan 0.000 0.455 343 T N 2.651 117.059 114.554 -0.243 0.000 2.770 343 T HA 0.009 4.359 4.350 -0.000 0.000 0.263 343 T C 1.908 176.458 174.700 -0.249 0.000 1.039 343 T CA 0.653 62.616 62.100 -0.228 0.000 1.142 343 T CB -0.538 68.216 68.868 -0.189 0.000 0.868 343 T HN 0.116 nan 8.240 nan 0.000 0.435 344 L N 1.958 122.968 121.223 -0.356 0.000 2.012 344 L HA 0.027 4.367 4.340 -0.000 0.000 0.210 344 L C 2.689 179.427 176.870 -0.221 0.000 1.073 344 L CA 1.972 56.611 54.840 -0.335 0.000 0.748 344 L CB -1.283 40.451 42.059 -0.541 0.000 0.891 344 L HN 0.256 nan 8.230 nan 0.000 0.431 345 A N -0.578 122.126 122.820 -0.194 0.000 1.884 345 A HA -0.353 3.967 4.320 -0.000 0.000 0.219 345 A C 2.351 179.846 177.584 -0.148 0.000 1.197 345 A CA 2.216 54.168 52.037 -0.142 0.000 0.637 345 A CB -0.958 17.971 19.000 -0.118 0.000 0.827 345 A HN 0.674 nan 8.150 nan 0.000 0.450 346 E N -0.395 119.704 120.200 -0.168 0.000 2.110 346 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 346 E C 2.042 178.552 176.600 -0.149 0.000 0.988 346 E CA 1.073 57.388 56.400 -0.141 0.000 0.804 346 E CB -0.275 29.347 29.700 -0.131 0.000 0.745 346 E HN 0.554 nan 8.360 nan 0.000 0.458 347 A N 0.742 123.466 122.820 -0.160 0.000 1.898 347 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 347 A C 2.085 179.565 177.584 -0.173 0.000 1.181 347 A CA 1.500 53.430 52.037 -0.178 0.000 0.620 347 A CB -0.471 18.433 19.000 -0.161 0.000 0.819 347 A HN 0.334 nan 8.150 nan 0.000 0.442 348 Q N -0.951 118.767 119.800 -0.136 0.000 2.124 348 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 348 Q C 2.006 177.969 176.000 -0.062 0.000 0.977 348 Q CA 1.592 57.339 55.803 -0.094 0.000 0.850 348 Q CB -0.150 28.535 28.738 -0.087 0.000 0.901 348 Q HN 0.811 nan 8.270 nan 0.000 0.429 349 E N 0.407 120.553 120.200 -0.091 0.000 2.204 349 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 349 E C 1.864 178.450 176.600 -0.024 0.000 0.989 349 E CA 0.589 56.958 56.400 -0.052 0.000 0.824 349 E CB 0.231 29.884 29.700 -0.077 0.000 0.756 349 E HN 0.028 nan 8.360 nan 0.000 0.477 350 R N 0.052 120.461 120.500 -0.151 0.000 2.070 350 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 350 R C 2.188 178.391 176.300 -0.161 0.000 1.138 350 R CA 1.706 57.621 56.100 -0.308 0.000 0.936 350 R CB -1.110 28.840 30.300 -0.582 0.000 0.839 350 R HN 0.333 nan 8.270 nan 0.000 0.429 351 M N -0.293 119.239 119.600 -0.113 0.000 2.082 351 M HA -0.243 4.237 4.480 -0.000 0.000 0.258 351 M C 2.049 178.413 176.300 0.106 0.000 1.071 351 M CA 1.785 57.086 55.300 0.002 0.000 1.103 351 M CB -1.062 31.512 32.600 -0.043 0.000 1.307 351 M HN 0.239 nan 8.290 nan 0.000 0.409 352 Y N 0.812 121.092 120.300 -0.033 0.000 2.102 352 Y HA -0.347 4.202 4.550 -0.000 0.000 0.280 352 Y C 1.919 177.789 175.900 -0.049 0.000 1.178 352 Y CA 2.559 60.645 58.100 -0.023 0.000 1.146 352 Y CB -0.743 37.702 38.460 -0.025 0.000 0.968 352 Y HN 0.392 nan 8.280 nan 0.000 0.504 353 D N -0.976 119.459 120.400 0.058 0.000 2.144 353 D HA -0.238 4.402 4.640 -0.000 0.000 0.199 353 D C 1.941 178.181 176.300 -0.100 0.000 0.984 353 D CA 1.719 55.677 54.000 -0.070 0.000 0.834 353 D CB -0.642 40.184 40.800 0.043 0.000 0.955 353 D HN 0.594 nan 8.370 nan 0.000 0.465 354 Y N 1.407 121.633 120.300 -0.123 0.000 2.133 354 Y HA -0.162 4.388 4.550 0.000 0.000 0.287 354 Y C 2.390 178.218 175.900 -0.120 0.000 1.134 354 Y CA 1.215 59.257 58.100 -0.096 0.000 1.133 354 Y CB -0.353 38.073 38.460 -0.056 0.000 0.987 354 Y HN -0.140 nan 8.280 nan 0.000 0.502 355 L N 0.477 121.498 121.223 -0.337 0.000 2.089 355 L HA -0.300 4.040 4.340 -0.000 0.000 0.213 355 L C 2.534 179.122 176.870 -0.470 0.000 1.079 355 L CA 1.114 55.742 54.840 -0.353 0.000 0.758 355 L CB -1.004 41.028 42.059 -0.044 0.000 0.891 355 L HN 0.429 nan 8.230 nan 0.000 0.433 356 A N -0.453 121.982 122.820 -0.642 0.000 2.292 356 A HA -0.130 4.190 4.320 -0.000 0.000 0.209 356 A C 0.477 177.787 177.584 -0.457 0.000 1.209 356 A CA 1.048 52.651 52.037 -0.723 0.000 0.746 356 A CB -0.413 18.177 19.000 -0.684 0.000 0.764 356 A HN 0.617 nan 8.150 nan 0.000 0.492 357 Q N -1.718 117.802 119.800 -0.467 0.000 3.693 357 Q HA 0.271 4.611 4.340 -0.000 0.000 0.226 357 Q C 0.263 175.927 176.000 -0.561 0.000 0.757 357 Q CA -0.002 55.569 55.803 -0.387 0.000 0.891 357 Q CB 0.258 28.851 28.738 -0.242 0.000 1.561 357 Q HN 0.491 nan 8.270 nan 0.000 0.390 358 R N 0.291 120.498 120.500 -0.488 0.000 2.197 358 R HA 0.098 4.437 4.340 -0.000 0.000 0.188 358 R C -0.491 175.766 176.300 -0.072 0.000 1.015 358 R CA 0.583 56.499 56.100 -0.305 0.000 1.132 358 R CB 0.650 30.825 30.300 -0.208 0.000 1.134 358 R HN 0.210 nan 8.270 nan 0.000 0.560 359 D N 1.951 122.332 120.400 -0.032 0.000 2.948 359 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 359 D C 0.130 176.445 176.300 0.025 0.000 1.198 359 D CA 0.167 54.188 54.000 0.035 0.000 0.926 359 D CB -0.597 40.261 40.800 0.095 0.000 1.151 359 D HN 0.343 nan 8.370 nan 0.000 0.441 360 N N -0.610 118.084 118.700 -0.009 0.000 3.051 360 N HA -0.377 4.363 4.740 -0.000 0.000 0.175 360 N C -0.161 175.312 175.510 -0.061 0.000 0.172 360 N CA 1.971 55.002 53.050 -0.032 0.000 2.347 360 N CB -0.530 37.951 38.487 -0.010 0.000 1.133 360 N HN 0.138 nan 8.380 nan 0.000 0.422 361 V N -2.214 117.689 119.914 -0.017 0.000 3.643 361 V HA -0.247 3.873 4.120 -0.000 0.000 0.520 361 V C 0.091 176.131 176.094 -0.089 0.000 0.682 361 V CA 1.235 63.522 62.300 -0.022 0.000 2.076 361 V CB -0.552 31.242 31.823 -0.048 0.000 2.490 361 V HN 0.646 nan 8.190 nan 0.000 0.513 362 S N -0.730 114.910 115.700 -0.100 0.000 3.629 362 S HA 0.981 5.451 4.470 -0.000 0.000 0.319 362 S C -0.228 174.284 174.600 -0.146 0.000 1.149 362 S CA 0.314 58.443 58.200 -0.119 0.000 1.099 362 S CB 1.800 64.964 63.200 -0.061 0.000 1.433 362 S HN 2.163 nan 8.310 nan 0.000 0.736 371 T N 0.281 114.910 114.554 0.124 0.000 3.313 371 T HA 0.544 4.894 4.350 -0.000 0.000 0.333 371 T C -0.495 174.370 174.700 0.276 0.000 0.904 371 T CA 0.256 62.466 62.100 0.184 0.000 1.079 371 T CB 1.102 70.048 68.868 0.130 0.000 1.017 371 T HN 1.312 nan 8.240 nan 0.000 0.471 372 Q N 2.224 122.262 119.800 0.395 0.000 0.459 372 Q HA -0.308 4.032 4.340 -0.000 0.000 0.299 372 Q C 1.147 177.365 176.000 0.364 0.000 1.085 372 Q CA 2.100 58.127 55.803 0.373 0.000 0.312 372 Q CB -0.312 28.563 28.738 0.230 0.000 5.515 372 Q HN 0.876 nan 8.270 nan 0.000 0.317 373 K N -1.268 119.290 120.400 0.264 0.000 8.940 373 K HA -0.336 3.984 4.320 -0.000 0.000 0.489 373 K C 0.940 177.644 176.600 0.173 0.000 0.452 373 K CA 3.241 59.630 56.287 0.171 0.000 1.842 373 K CB -2.116 30.465 32.500 0.135 0.000 0.915 373 K HN 0.685 nan 8.250 nan 0.000 1.015 374 F N 0.205 120.181 119.950 0.043 0.000 2.046 374 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 374 F C 2.107 177.863 175.800 -0.073 0.000 1.123 374 F CA 2.278 60.238 58.000 -0.067 0.000 1.199 374 F CB -0.746 38.150 39.000 -0.172 0.000 0.972 374 F HN 0.272 nan 8.300 nan 0.000 0.474 375 Y N 0.079 120.365 120.300 -0.024 0.000 2.333 375 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 375 Y C 2.649 178.637 175.900 0.148 0.000 1.144 375 Y CA 1.665 59.725 58.100 -0.067 0.000 1.228 375 Y CB -0.684 37.785 38.460 0.015 0.000 0.985 375 Y HN 0.018 nan 8.280 nan 0.000 0.542 376 R N 0.180 120.883 120.500 0.338 0.000 2.115 376 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 376 R C 1.611 177.935 176.300 0.039 0.000 1.111 376 R CA 1.544 57.733 56.100 0.148 0.000 0.976 376 R CB -0.151 30.149 30.300 0.000 0.000 0.870 376 R HN 0.216 nan 8.270 nan 0.000 0.445 377 D N -0.390 119.996 120.400 -0.023 0.000 2.197 377 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 377 D C 1.823 178.056 176.300 -0.112 0.000 0.963 377 D CA 0.460 54.422 54.000 -0.064 0.000 0.864 377 D CB -0.119 40.639 40.800 -0.071 0.000 1.009 377 D HN 0.143 nan 8.370 nan 0.000 0.479 378 L N 1.153 122.222 121.223 -0.256 0.000 1.991 378 L HA -0.323 4.017 4.340 -0.000 0.000 0.221 378 L C 2.335 179.150 176.870 -0.091 0.000 1.079 378 L CA 1.997 56.665 54.840 -0.286 0.000 0.778 378 L CB -0.325 41.394 42.059 -0.567 0.000 0.893 378 L HN -0.020 nan 8.230 nan 0.000 0.437 379 A N -0.539 122.275 122.820 -0.010 0.000 1.892 379 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 379 A C 2.354 179.944 177.584 0.010 0.000 1.188 379 A CA 2.086 54.148 52.037 0.042 0.000 0.631 379 A CB -0.934 18.140 19.000 0.123 0.000 0.822 379 A HN 0.621 nan 8.150 nan 0.000 0.447 380 A N 0.008 122.825 122.820 -0.004 0.000 2.067 380 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 380 A C 1.976 179.564 177.584 0.007 0.000 1.158 380 A CA 2.151 54.184 52.037 -0.007 0.000 0.661 380 A CB -0.342 18.653 19.000 -0.008 0.000 0.801 380 A HN 0.699 nan 8.150 nan 0.000 0.452 381 K N 0.124 120.526 120.400 0.003 0.000 2.044 381 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 381 K C 1.696 178.323 176.600 0.045 0.000 1.045 381 K CA 1.688 57.983 56.287 0.014 0.000 0.951 381 K CB -0.341 32.154 32.500 -0.009 0.000 0.738 381 K HN 0.111 nan 8.250 nan 0.000 0.443 382 E N 0.696 120.928 120.200 0.053 0.000 2.204 382 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 382 E C 1.677 178.388 176.600 0.185 0.000 0.990 382 E CA 1.110 57.580 56.400 0.116 0.000 0.821 382 E CB -0.104 29.660 29.700 0.106 0.000 0.750 382 E HN 0.461 nan 8.360 nan 0.000 0.477 383 I N 0.037 120.664 120.570 0.095 0.000 2.339 383 I HA -0.100 4.070 4.170 -0.000 0.000 0.245 383 I C 2.312 178.506 176.117 0.129 0.000 1.096 383 I CA 1.046 62.398 61.300 0.086 0.000 1.408 383 I CB -0.871 37.107 38.000 -0.036 0.000 1.092 383 I HN 0.256 nan 8.210 nan 0.000 0.423 384 E N 0.953 121.201 120.200 0.080 0.000 2.274 384 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 384 E C 1.666 178.311 176.600 0.074 0.000 0.996 384 E CA 0.932 57.375 56.400 0.072 0.000 0.840 384 E CB 0.275 30.006 29.700 0.052 0.000 0.772 384 E HN 0.400 nan 8.360 nan 0.000 0.491 385 N N -0.056 118.693 118.700 0.083 0.000 2.511 385 N HA 0.051 4.791 4.740 -0.000 0.000 0.190 385 N C 0.820 176.353 175.510 0.039 0.000 1.037 385 N CA 0.837 53.919 53.050 0.053 0.000 0.895 385 N CB -0.850 37.663 38.487 0.044 0.000 1.149 385 N HN 0.130 nan 8.380 nan 0.000 0.437 386 G N -0.420 108.422 108.800 0.070 0.000 3.255 386 G HA2 0.117 4.077 3.960 -0.000 0.000 0.249 386 G HA3 0.117 4.077 3.960 -0.000 0.000 0.249 386 G C 0.581 175.401 174.900 -0.133 0.000 1.269 386 G CA 0.460 45.506 45.100 -0.090 0.000 0.904 386 G HN 0.360 nan 8.290 nan 0.000 0.627 387 G N -0.869 107.733 108.800 -0.331 0.000 4.433 387 G HA2 0.432 4.392 3.960 -0.000 0.000 0.304 387 G HA3 0.432 4.392 3.960 -0.000 0.000 0.304 387 G C -0.354 174.471 174.900 -0.125 0.000 1.254 387 G CA -0.514 44.490 45.100 -0.161 0.000 0.999 387 G HN 0.406 nan 8.290 nan 0.000 0.576 388 Y N 1.014 121.317 120.300 0.005 0.000 2.377 388 Y HA 0.268 4.818 4.550 -0.000 0.000 0.330 388 Y C 0.912 176.814 175.900 0.004 0.000 1.108 388 Y CA -0.367 57.736 58.100 0.005 0.000 1.308 388 Y CB 1.181 39.645 38.460 0.006 0.000 1.216 388 Y HN -0.004 nan 8.280 nan 0.000 0.518 389 K N 5.477 125.986 120.400 0.181 0.000 2.293 389 K HA 0.425 4.745 4.320 -0.000 0.000 0.267 389 K C -1.474 175.185 176.600 0.098 0.000 1.010 389 K CA -0.353 55.995 56.287 0.101 0.000 0.875 389 K CB 0.266 32.805 32.500 0.065 0.000 1.106 389 K HN 0.758 nan 8.250 nan 0.000 0.450 390 I N 3.363 123.969 120.570 0.061 0.000 2.339 390 I HA 0.137 4.307 4.170 -0.000 0.000 0.290 390 I C 0.006 176.137 176.117 0.024 0.000 0.994 390 I CA -0.528 60.794 61.300 0.036 0.000 1.191 390 I CB 1.934 39.930 38.000 -0.006 0.000 1.343 390 I HN 0.423 nan 8.210 nan 0.000 0.458 391 T N 4.569 119.147 114.554 0.040 0.000 2.744 391 T HA 0.328 4.678 4.350 -0.000 0.000 0.291 391 T C 0.447 175.173 174.700 0.043 0.000 0.957 391 T CA -0.595 61.528 62.100 0.038 0.000 1.002 391 T CB 0.786 69.681 68.868 0.045 0.000 0.919 391 T HN 0.744 nan 8.240 nan 0.000 0.468 392 T N -0.298 114.271 114.554 0.024 0.000 2.810 392 T HA 0.308 4.658 4.350 -0.000 0.000 0.277 392 T C 1.629 176.364 174.700 0.059 0.000 0.973 392 T CA -0.264 61.853 62.100 0.029 0.000 0.949 392 T CB 0.819 69.674 68.868 -0.022 0.000 1.075 392 T HN 0.517 nan 8.240 nan 0.000 0.537 393 T N -1.622 112.968 114.554 0.059 0.000 3.057 393 T HA 0.215 4.565 4.350 -0.000 0.000 0.254 393 T C 0.987 175.725 174.700 0.062 0.000 1.094 393 T CA -0.394 61.732 62.100 0.043 0.000 1.088 393 T CB -0.246 68.607 68.868 -0.025 0.000 0.934 393 T HN 0.527 nan 8.240 nan 0.000 0.497 394 I N 3.991 124.617 120.570 0.094 0.000 2.872 394 I HA 0.031 4.201 4.170 -0.000 0.000 0.287 394 I C 0.546 176.780 176.117 0.194 0.000 1.197 394 I CA -0.265 61.124 61.300 0.148 0.000 1.390 394 I CB -0.745 37.317 38.000 0.105 0.000 1.400 394 I HN 0.347 nan 8.210 nan 0.000 0.544 395 D N 6.796 127.270 120.400 0.124 0.000 2.371 395 D HA -0.034 4.606 4.640 -0.000 0.000 0.256 395 D C 0.876 177.185 176.300 0.016 0.000 1.193 395 D CA 0.072 54.105 54.000 0.056 0.000 0.881 395 D CB 1.108 41.918 40.800 0.017 0.000 1.143 395 D HN 0.558 nan 8.370 nan 0.000 0.473 396 Q N 3.916 123.606 119.800 -0.184 0.000 2.049 396 Q HA -0.140 4.199 4.340 -0.000 0.000 0.198 396 Q C 1.454 177.293 176.000 -0.268 0.000 0.971 396 Q CA 0.963 56.436 55.803 -0.549 0.000 0.833 396 Q CB 0.264 28.404 28.738 -0.998 0.000 0.896 396 Q HN 0.457 nan 8.270 nan 0.000 0.434 397 K N 0.189 120.489 120.400 -0.167 0.000 2.057 397 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 397 K C 2.158 178.736 176.600 -0.037 0.000 1.050 397 K CA 1.091 57.325 56.287 -0.089 0.000 0.935 397 K CB -0.039 32.421 32.500 -0.067 0.000 0.715 397 K HN 0.250 nan 8.250 nan 0.000 0.439 398 I N 0.218 120.774 120.570 -0.023 0.000 2.179 398 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 398 I C 2.621 178.752 176.117 0.024 0.000 1.088 398 I CA 1.310 62.609 61.300 -0.002 0.000 1.357 398 I CB -0.528 37.461 38.000 -0.018 0.000 1.051 398 I HN 0.368 nan 8.210 nan 0.000 0.409 399 H N 1.289 120.343 119.070 -0.026 0.000 2.353 399 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 399 H C 2.322 177.638 175.328 -0.019 0.000 1.090 399 H CA 2.036 58.074 56.048 -0.016 0.000 1.327 399 H CB 0.300 30.082 29.762 0.034 0.000 1.383 399 H HN 0.296 nan 8.280 nan 0.000 0.508 400 S N 0.635 116.356 115.700 0.035 0.000 2.406 400 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 400 S C 2.470 177.058 174.600 -0.020 0.000 1.020 400 S CA 0.588 58.792 58.200 0.007 0.000 0.965 400 S CB -0.275 62.938 63.200 0.022 0.000 0.798 400 S HN 0.537 nan 8.310 nan 0.000 0.488 401 A N 2.338 125.152 122.820 -0.011 0.000 1.908 401 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 401 A C 2.235 179.827 177.584 0.012 0.000 1.181 401 A CA 1.646 53.692 52.037 0.015 0.000 0.627 401 A CB -0.746 18.271 19.000 0.030 0.000 0.818 401 A HN 0.486 nan 8.150 nan 0.000 0.445 402 M N -1.018 118.559 119.600 -0.038 0.000 2.132 402 M HA -0.186 4.293 4.480 -0.000 0.000 0.263 402 M C 2.362 178.629 176.300 -0.055 0.000 1.065 402 M CA 1.257 56.528 55.300 -0.049 0.000 1.122 402 M CB -0.388 32.144 32.600 -0.112 0.000 1.365 402 M HN 0.326 nan 8.290 nan 0.000 0.411 403 Q N 0.114 119.837 119.800 -0.128 0.000 2.096 403 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 403 Q C 2.203 178.219 176.000 0.027 0.000 0.982 403 Q CA 1.787 57.560 55.803 -0.049 0.000 0.850 403 Q CB -0.925 27.788 28.738 -0.041 0.000 0.901 403 Q HN 0.441 nan 8.270 nan 0.000 0.422 404 S N 0.866 116.581 115.700 0.025 0.000 2.368 404 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 404 S C 1.982 176.616 174.600 0.056 0.000 1.029 404 S CA 0.898 59.118 58.200 0.034 0.000 0.988 404 S CB -0.303 62.916 63.200 0.032 0.000 0.838 404 S HN 0.528 nan 8.310 nan 0.000 0.462 405 A N 1.021 123.908 122.820 0.112 0.000 1.873 405 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 405 A C 2.338 180.074 177.584 0.253 0.000 1.193 405 A CA 1.820 53.993 52.037 0.226 0.000 0.629 405 A CB -1.186 17.930 19.000 0.194 0.000 0.826 405 A HN 0.349 nan 8.150 nan 0.000 0.447 406 V N -0.376 119.674 119.914 0.226 0.000 2.407 406 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 406 V C 2.838 179.019 176.094 0.145 0.000 1.055 406 V CA 2.245 64.699 62.300 0.256 0.000 1.049 406 V CB -0.783 31.174 31.823 0.223 0.000 0.662 406 V HN 0.643 nan 8.190 nan 0.000 0.455 407 A N -0.339 122.532 122.820 0.085 0.000 1.855 407 A HA -0.217 4.102 4.320 -0.000 0.000 0.215 407 A C 1.956 179.522 177.584 -0.029 0.000 1.191 407 A CA 1.925 53.982 52.037 0.034 0.000 0.613 407 A CB -0.825 18.188 19.000 0.021 0.000 0.829 407 A HN 0.583 nan 8.150 nan 0.000 0.442 408 D N -1.675 118.646 120.400 -0.132 0.000 2.149 408 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 408 D C 0.868 176.860 176.300 -0.514 0.000 0.990 408 D CA 1.557 55.288 54.000 -0.448 0.000 0.839 408 D CB -0.199 40.186 40.800 -0.691 0.000 0.948 408 D HN 0.644 nan 8.370 nan 0.000 0.460 409 Y N -1.277 119.119 120.300 0.161 0.000 2.563 409 Y HA 0.342 4.892 4.550 -0.000 0.000 0.250 409 Y C 2.142 178.023 175.900 -0.032 0.000 1.126 409 Y CA -0.327 57.787 58.100 0.024 0.000 1.231 409 Y CB 0.149 38.534 38.460 -0.125 0.000 1.288 409 Y HN -0.097 nan 8.280 nan 0.000 0.537 410 G N 0.631 109.530 108.800 0.165 0.000 2.485 410 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.221 410 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.221 410 G C 1.436 176.284 174.900 -0.085 0.000 1.115 410 G CA 1.604 46.681 45.100 -0.038 0.000 0.751 410 G HN 0.647 nan 8.290 nan 0.000 0.567 411 Y N 0.077 120.362 120.300 -0.024 0.000 2.497 411 Y HA 0.212 4.762 4.550 -0.000 0.000 0.292 411 Y C 2.170 178.051 175.900 -0.032 0.000 1.137 411 Y CA 0.212 58.291 58.100 -0.035 0.000 1.285 411 Y CB -0.475 37.970 38.460 -0.025 0.000 0.991 411 Y HN 0.118 nan 8.280 nan 0.000 0.556 412 L N 0.189 120.957 121.223 -0.758 0.000 2.187 412 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 412 L C 2.258 178.967 176.870 -0.269 0.000 1.100 412 L CA 1.117 55.627 54.840 -0.550 0.000 0.765 412 L CB -0.461 41.315 42.059 -0.472 0.000 0.904 412 L HN 0.359 nan 8.230 nan 0.000 0.437 413 L N -1.156 119.910 121.223 -0.262 0.000 2.240 413 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 413 L C 0.360 177.121 176.870 -0.182 0.000 1.106 413 L CA 0.198 54.882 54.840 -0.261 0.000 0.793 413 L CB -0.314 41.512 42.059 -0.389 0.000 0.927 413 L HN 0.174 nan 8.230 nan 0.000 0.446 414 D N 1.177 121.508 120.400 -0.114 0.000 2.425 414 D HA 0.058 4.698 4.640 -0.000 0.000 0.247 414 D C 0.163 176.444 176.300 -0.031 0.000 1.147 414 D CA 0.373 54.345 54.000 -0.047 0.000 0.879 414 D CB 1.118 41.925 40.800 0.012 0.000 1.179 414 D HN 0.254 nan 8.370 nan 0.000 0.456 415 D N -0.022 120.370 120.400 -0.014 0.000 2.602 415 D HA 0.171 4.811 4.640 -0.000 0.000 0.265 415 D C 0.944 177.254 176.300 0.016 0.000 1.454 415 D CA -0.437 53.559 54.000 -0.008 0.000 0.795 415 D CB -0.131 40.651 40.800 -0.031 0.000 1.140 415 D HN 0.523 nan 8.370 nan 0.000 0.486 416 G N 0.817 109.634 108.800 0.029 0.000 2.171 416 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.238 416 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.238 416 G C 0.652 175.580 174.900 0.046 0.000 1.039 416 G CA 0.671 45.789 45.100 0.031 0.000 0.759 416 G HN 0.838 nan 8.290 nan 0.000 0.501 417 T N -3.290 111.312 114.554 0.080 0.000 3.144 417 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 417 T C 1.575 176.330 174.700 0.091 0.000 0.966 417 T CA 1.195 63.368 62.100 0.122 0.000 0.907 417 T CB 1.125 70.120 68.868 0.213 0.000 1.152 417 T HN 2.372 nan 8.240 nan 0.000 0.532 418 G N 2.226 111.073 108.800 0.079 0.000 2.447 418 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.220 418 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.220 418 G C -0.687 174.302 174.900 0.148 0.000 1.261 418 G CA -0.614 44.519 45.100 0.055 0.000 1.000 418 G HN 0.663 nan 8.290 nan 0.000 0.515 419 R N -0.045 120.545 120.500 0.151 0.000 2.291 419 R HA 0.463 4.803 4.340 -0.000 0.000 0.333 419 R C -0.134 176.282 176.300 0.194 0.000 1.082 419 R CA -0.346 55.838 56.100 0.139 0.000 0.948 419 R CB 0.178 30.546 30.300 0.113 0.000 1.009 419 R HN 0.516 nan 8.270 nan 0.000 0.460 420 V N 5.468 125.383 119.914 0.001 0.000 2.389 420 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 420 V C 0.478 176.393 176.094 -0.300 0.000 1.049 420 V CA -0.279 61.861 62.300 -0.267 0.000 0.932 420 V CB 0.901 32.507 31.823 -0.362 0.000 1.011 420 V HN 0.787 nan 8.190 nan 0.000 0.475 421 E N 2.603 122.592 120.200 -0.351 0.000 2.351 421 E HA 0.616 4.966 4.350 -0.000 0.000 0.255 421 E C -0.620 175.652 176.600 -0.547 0.000 1.188 421 E CA -0.236 55.924 56.400 -0.399 0.000 0.940 421 E CB 2.267 31.743 29.700 -0.373 0.000 1.094 421 E HN 0.417 nan 8.360 nan 0.000 0.474 422 V N -0.692 118.985 119.914 -0.396 0.000 3.048 422 V HA 0.745 4.865 4.120 -0.000 0.000 0.303 422 V C -1.026 175.116 176.094 0.080 0.000 1.214 422 V CA -0.184 61.955 62.300 -0.268 0.000 0.984 422 V CB 2.176 33.767 31.823 -0.387 0.000 1.054 422 V HN 0.642 nan 8.190 nan 0.000 0.430 423 G N 3.907 112.853 108.800 0.244 0.000 2.662 423 G HA2 0.699 4.659 3.960 -0.000 0.000 0.302 423 G HA3 0.699 4.659 3.960 -0.000 0.000 0.302 423 G C -1.584 173.414 174.900 0.163 0.000 1.389 423 G CA -0.650 44.591 45.100 0.234 0.000 0.998 423 G HN 0.722 nan 8.290 nan 0.000 0.502 424 N N -0.045 118.751 118.700 0.160 0.000 2.277 424 N HA 0.569 5.309 4.740 -0.000 0.000 0.286 424 N C -1.586 174.015 175.510 0.151 0.000 1.140 424 N CA -0.456 52.688 53.050 0.156 0.000 0.799 424 N CB 3.026 41.625 38.487 0.187 0.000 1.596 424 N HN 0.265 nan 8.380 nan 0.000 0.473 425 V N 1.897 121.880 119.914 0.116 0.000 2.569 425 V HA 0.348 4.468 4.120 -0.000 0.000 0.301 425 V C -0.711 175.459 176.094 0.126 0.000 1.044 425 V CA -0.694 61.668 62.300 0.103 0.000 0.874 425 V CB 2.089 33.869 31.823 -0.072 0.000 1.002 425 V HN 0.493 nan 8.190 nan 0.000 0.424 426 L N 5.974 127.284 121.223 0.144 0.000 2.272 426 L HA 0.732 5.071 4.340 -0.000 0.000 0.289 426 L C -0.401 176.499 176.870 0.050 0.000 1.032 426 L CA 0.222 55.114 54.840 0.088 0.000 0.810 426 L CB 1.136 43.219 42.059 0.041 0.000 1.205 426 L HN 0.793 nan 8.230 nan 0.000 0.422 427 M N 4.183 123.798 119.600 0.025 0.000 2.464 427 M HA 0.350 4.830 4.480 -0.000 0.000 0.308 427 M C -1.216 175.071 176.300 -0.021 0.000 1.127 427 M CA -0.657 54.644 55.300 0.002 0.000 0.913 427 M CB 1.692 34.313 32.600 0.035 0.000 1.689 427 M HN 0.591 nan 8.290 nan 0.000 0.445 428 D N 2.615 122.982 120.400 -0.054 0.000 2.343 428 D HA 0.084 4.723 4.640 -0.000 0.000 0.255 428 D C 0.162 176.468 176.300 0.009 0.000 1.187 428 D CA 0.117 54.090 54.000 -0.046 0.000 0.875 428 D CB 0.891 41.645 40.800 -0.076 0.000 1.136 428 D HN 0.647 nan 8.370 nan 0.000 0.469 429 N N 2.699 121.429 118.700 0.049 0.000 2.289 429 N HA -0.140 4.600 4.740 -0.000 0.000 0.184 429 N C 1.300 176.907 175.510 0.163 0.000 1.016 429 N CA 0.953 54.069 53.050 0.111 0.000 0.872 429 N CB 0.109 38.671 38.487 0.124 0.000 0.973 429 N HN 0.611 nan 8.380 nan 0.000 0.433 430 Q N -1.018 118.847 119.800 0.108 0.000 2.331 430 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 430 Q C 1.467 177.448 176.000 -0.033 0.000 0.944 430 Q CA 1.227 57.110 55.803 0.133 0.000 0.892 430 Q CB 0.392 29.162 28.738 0.053 0.000 0.983 430 Q HN 0.539 nan 8.270 nan 0.000 0.482 431 T N -6.179 108.319 114.554 -0.092 0.000 3.019 431 T HA 0.313 4.663 4.350 -0.000 0.000 0.247 431 T C 1.439 176.055 174.700 -0.141 0.000 0.992 431 T CA 0.553 62.508 62.100 -0.242 0.000 1.036 431 T CB 0.759 69.553 68.868 -0.123 0.000 1.063 431 T HN 0.261 nan 8.240 nan 0.000 0.476 432 G N 1.865 110.619 108.800 -0.077 0.000 2.176 432 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.253 432 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.253 432 G C 0.335 174.962 174.900 -0.456 0.000 0.979 432 G CA -0.004 45.016 45.100 -0.134 0.000 0.641 432 G HN 1.250 nan 8.290 nan 0.000 0.530 433 A N 0.087 122.557 122.820 -0.583 0.000 2.440 433 A HA 0.653 4.973 4.320 -0.000 0.000 0.251 433 A C 0.496 177.895 177.584 -0.308 0.000 1.089 433 A CA 0.147 51.752 52.037 -0.719 0.000 0.779 433 A CB 0.253 18.999 19.000 -0.424 0.000 1.022 433 A HN 0.764 nan 8.150 nan 0.000 0.492 434 I N 2.945 123.386 120.570 -0.215 0.000 2.342 434 I HA 0.120 4.290 4.170 -0.000 0.000 0.291 434 I C 0.678 176.834 176.117 0.064 0.000 1.010 434 I CA -0.099 61.196 61.300 -0.008 0.000 1.308 434 I CB 1.291 39.364 38.000 0.122 0.000 1.400 434 I HN 0.666 nan 8.210 nan 0.000 0.488 435 L N 5.865 127.134 121.223 0.077 0.000 2.529 435 L HA 0.410 4.750 4.340 -0.000 0.000 0.223 435 L C 0.900 177.888 176.870 0.196 0.000 1.113 435 L CA -0.041 54.852 54.840 0.088 0.000 0.861 435 L CB -0.300 41.758 42.059 -0.002 0.000 1.012 435 L HN 0.770 nan 8.230 nan 0.000 0.461 436 G N 0.383 109.369 108.800 0.310 0.000 2.411 436 G HA2 0.456 4.416 3.960 -0.000 0.000 0.295 436 G HA3 0.456 4.416 3.960 -0.000 0.000 0.295 436 G C -1.802 173.380 174.900 0.471 0.000 1.542 436 G CA -0.499 44.850 45.100 0.415 0.000 0.814 436 G HN -0.021 nan 8.290 nan 0.000 0.557 437 F N -1.427 118.684 119.950 0.269 0.000 2.719 437 F HA 0.781 5.308 4.527 -0.000 0.000 0.309 437 F C -1.533 174.307 175.800 0.067 0.000 1.138 437 F CA -1.469 56.638 58.000 0.179 0.000 0.943 437 F CB 1.541 40.727 39.000 0.312 0.000 1.304 437 F HN 0.461 nan 8.300 nan 0.000 0.445 438 V N 2.142 122.216 119.914 0.265 0.000 2.357 438 V HA 0.515 4.635 4.120 -0.000 0.000 0.284 438 V C 0.702 176.893 176.094 0.162 0.000 1.018 438 V CA 0.151 62.525 62.300 0.123 0.000 0.841 438 V CB 1.110 33.017 31.823 0.139 0.000 0.991 438 V HN 1.162 nan 8.190 nan 0.000 0.437 439 G N 3.101 111.825 108.800 -0.126 0.000 2.683 439 G HA2 0.515 4.475 3.960 -0.000 0.000 0.213 439 G HA3 0.515 4.475 3.960 -0.000 0.000 0.213 439 G C 0.542 175.307 174.900 -0.224 0.000 1.142 439 G CA 0.689 45.453 45.100 -0.560 0.000 0.793 439 G HN 1.139 nan 8.290 nan 0.000 0.534 440 G N -1.622 107.177 108.800 -0.002 0.000 2.313 440 G HA2 0.288 4.248 3.960 -0.000 0.000 0.296 440 G HA3 0.288 4.248 3.960 -0.000 0.000 0.296 440 G C 0.228 175.230 174.900 0.169 0.000 1.356 440 G CA -0.599 44.609 45.100 0.180 0.000 0.833 440 G HN -0.108 nan 8.290 nan 0.000 0.552 441 R N -0.151 120.400 120.500 0.086 0.000 2.091 441 R HA -0.028 4.312 4.340 -0.000 0.000 0.238 441 R C 0.521 176.913 176.300 0.154 0.000 1.136 441 R CA 1.575 57.717 56.100 0.070 0.000 0.959 441 R CB -0.442 29.866 30.300 0.014 0.000 0.856 441 R HN 0.590 nan 8.270 nan 0.000 0.437 442 N N -1.531 117.309 118.700 0.233 0.000 3.127 442 N HA -0.080 4.660 4.740 -0.000 0.000 0.239 442 N C -0.371 175.284 175.510 0.242 0.000 1.200 442 N CA -0.254 52.928 53.050 0.220 0.000 0.924 442 N CB -0.094 38.467 38.487 0.124 0.000 1.583 442 N HN -0.055 nan 8.380 nan 0.000 0.645 443 Y N 2.901 123.271 120.300 0.116 0.000 2.274 443 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 443 Y C 1.833 177.707 175.900 -0.043 0.000 1.145 443 Y CA 1.969 60.008 58.100 -0.103 0.000 1.203 443 Y CB 0.403 38.635 38.460 -0.380 0.000 0.984 443 Y HN 0.688 nan 8.280 nan 0.000 0.533 444 Q N -0.183 119.647 119.800 0.050 0.000 2.084 444 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 444 Q C 1.764 177.713 176.000 -0.084 0.000 0.978 444 Q CA 1.795 57.583 55.803 -0.026 0.000 0.844 444 Q CB 0.039 28.804 28.738 0.044 0.000 0.898 444 Q HN 0.411 nan 8.270 nan 0.000 0.426 445 E N -0.180 119.999 120.200 -0.034 0.000 2.442 445 E HA 0.054 4.404 4.350 -0.000 0.000 0.195 445 E C -0.086 176.490 176.600 -0.041 0.000 1.030 445 E CA 0.276 56.660 56.400 -0.026 0.000 0.869 445 E CB 0.276 29.985 29.700 0.014 0.000 0.857 445 E HN 0.127 nan 8.360 nan 0.000 0.505 446 N N 0.262 118.918 118.700 -0.073 0.000 2.999 446 N HA 0.013 4.753 4.740 -0.000 0.000 0.244 446 N C -0.605 174.865 175.510 -0.066 0.000 1.106 446 N CA 0.073 53.106 53.050 -0.027 0.000 1.018 446 N CB 0.866 39.411 38.487 0.097 0.000 1.600 446 N HN -0.333 nan 8.380 nan 0.000 0.621 447 Q N 1.075 120.769 119.800 -0.177 0.000 2.356 447 Q HA 0.354 4.694 4.340 -0.000 0.000 0.205 447 Q C -0.470 175.574 176.000 0.074 0.000 0.901 447 Q CA 0.177 55.795 55.803 -0.308 0.000 0.938 447 Q CB -0.034 28.428 28.738 -0.460 0.000 1.081 447 Q HN 0.593 nan 8.270 nan 0.000 0.517 448 N N 1.763 120.530 118.700 0.112 0.000 2.440 448 N HA -0.042 4.698 4.740 -0.000 0.000 0.265 448 N C -0.513 175.068 175.510 0.117 0.000 1.239 448 N CA -0.049 53.004 53.050 0.005 0.000 0.909 448 N CB 0.281 38.647 38.487 -0.201 0.000 1.066 448 N HN 0.058 nan 8.380 nan 0.000 0.474 449 N N 1.725 120.528 118.700 0.173 0.000 2.402 449 N HA 0.033 4.773 4.740 -0.000 0.000 0.252 449 N C -0.251 175.225 175.510 -0.057 0.000 1.118 449 N CA -0.015 53.181 53.050 0.243 0.000 0.945 449 N CB 0.284 38.969 38.487 0.330 0.000 1.147 449 N HN 0.525 nan 8.380 nan 0.000 0.495 450 H N 1.540 120.641 119.070 0.052 0.000 2.547 450 H HA 0.200 4.756 4.556 -0.000 0.000 0.266 450 H C 1.279 176.539 175.328 -0.113 0.000 0.988 450 H CA 0.769 56.780 56.048 -0.062 0.000 1.147 450 H CB 0.627 30.452 29.762 0.104 0.000 1.365 450 H HN 0.638 nan 8.280 nan 0.000 0.589 451 A N -0.689 122.132 122.820 0.001 0.000 2.014 451 A HA 0.150 4.470 4.320 -0.000 0.000 0.210 451 A C 1.056 178.361 177.584 -0.464 0.000 1.188 451 A CA 0.518 52.433 52.037 -0.203 0.000 0.731 451 A CB 0.138 19.025 19.000 -0.190 0.000 0.858 451 A HN 0.314 nan 8.150 nan 0.000 0.464 452 F N -1.147 118.724 119.950 -0.132 0.000 2.834 452 F HA 0.212 4.739 4.527 -0.000 0.000 0.332 452 F C 1.140 176.879 175.800 -0.102 0.000 1.056 452 F CA 0.035 57.955 58.000 -0.133 0.000 1.178 452 F CB 0.825 39.708 39.000 -0.195 0.000 1.037 452 F HN 0.076 nan 8.300 nan 0.000 0.580 453 D N -0.790 119.628 120.400 0.030 0.000 2.716 453 D HA 0.049 4.689 4.640 -0.000 0.000 0.273 453 D C 1.103 177.344 176.300 -0.099 0.000 1.024 453 D CA 1.052 55.038 54.000 -0.023 0.000 0.944 453 D CB -0.469 40.314 40.800 -0.027 0.000 1.186 453 D HN 0.084 nan 8.370 nan 0.000 0.485 454 T N -0.155 114.283 114.554 -0.193 0.000 2.907 454 T HA 0.371 4.721 4.350 -0.000 0.000 0.298 454 T C 0.071 174.623 174.700 -0.247 0.000 1.017 454 T CA -0.417 61.528 62.100 -0.257 0.000 1.118 454 T CB 1.395 70.016 68.868 -0.413 0.000 0.948 454 T HN -0.231 nan 8.240 nan 0.000 0.531 455 K N 3.000 123.291 120.400 -0.181 0.000 2.323 455 K HA 0.504 4.824 4.320 -0.000 0.000 0.259 455 K C -0.217 176.328 176.600 -0.092 0.000 0.947 455 K CA -0.971 55.257 56.287 -0.099 0.000 0.819 455 K CB 1.670 34.143 32.500 -0.044 0.000 1.109 455 K HN 0.548 nan 8.250 nan 0.000 0.429 456 R N 0.512 121.012 120.500 -0.001 0.000 2.808 456 R HA 0.271 4.611 4.340 -0.000 0.000 0.272 456 R C -0.462 175.954 176.300 0.193 0.000 0.995 456 R CA -0.910 55.260 56.100 0.116 0.000 0.917 456 R CB 2.025 32.391 30.300 0.110 0.000 1.217 456 R HN 0.567 nan 8.270 nan 0.000 0.471 457 S N 2.126 117.914 115.700 0.145 0.000 2.549 457 S HA 0.076 4.546 4.470 -0.000 0.000 0.286 457 S C -1.298 173.271 174.600 -0.051 0.000 1.314 457 S CA -1.028 57.177 58.200 0.009 0.000 1.062 457 S CB 0.498 63.698 63.200 -0.000 0.000 0.865 457 S HN 0.346 nan 8.310 nan 0.000 0.498 458 P HA 0.138 nan 4.420 nan 0.000 0.236 458 P C 0.823 177.722 177.300 -0.669 0.000 1.177 458 P CA 1.179 63.570 63.100 -1.182 0.000 0.773 458 P CB -0.403 30.510 31.700 -1.311 0.000 0.878 459 A N 0.109 122.757 122.820 -0.287 0.000 5.471 459 A HA -0.269 4.051 4.320 -0.000 0.000 0.292 459 A C 1.852 179.378 177.584 -0.096 0.000 2.024 459 A CA 1.587 53.561 52.037 -0.105 0.000 0.716 459 A CB -2.436 16.581 19.000 0.028 0.000 1.221 459 A HN 0.166 nan 8.150 nan 0.000 0.364 460 S N 0.373 116.064 115.700 -0.014 0.000 2.507 460 S HA 0.009 4.479 4.470 -0.000 0.000 0.235 460 S C 1.789 176.410 174.600 0.035 0.000 0.988 460 S CA 1.963 60.178 58.200 0.024 0.000 0.944 460 S CB -0.673 62.575 63.200 0.081 0.000 0.762 460 S HN 1.631 nan 8.310 nan 0.000 0.526 461 T N -0.852 113.709 114.554 0.012 0.000 3.098 461 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 461 T C 1.526 176.333 174.700 0.178 0.000 1.145 461 T CA 1.116 63.290 62.100 0.123 0.000 1.092 461 T CB -0.601 68.319 68.868 0.087 0.000 0.908 461 T HN 0.237 nan 8.240 nan 0.000 0.526 462 T N 1.968 116.516 114.554 -0.010 0.000 2.904 462 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 462 T C 1.877 176.521 174.700 -0.092 0.000 1.059 462 T CA 0.878 62.931 62.100 -0.079 0.000 1.137 462 T CB -0.123 68.622 68.868 -0.204 0.000 0.879 462 T HN 0.533 nan 8.240 nan 0.000 0.467 463 K N 0.933 121.288 120.400 -0.075 0.000 2.063 463 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 463 K C -0.699 175.806 176.600 -0.159 0.000 1.048 463 K CA 1.416 57.591 56.287 -0.185 0.000 0.928 463 K CB -1.128 31.311 32.500 -0.102 0.000 0.713 463 K HN 0.318 nan 8.250 nan 0.000 0.442 464 P HA -0.107 nan 4.420 nan 0.000 0.218 464 P C 1.250 178.460 177.300 -0.150 0.000 1.149 464 P CA 1.064 64.158 63.100 -0.010 0.000 0.817 464 P CB 0.082 31.775 31.700 -0.011 0.000 0.785 465 L N -1.777 119.357 121.223 -0.148 0.000 2.084 465 L HA -0.026 4.314 4.340 -0.000 0.000 0.202 465 L C 2.384 179.229 176.870 -0.041 0.000 1.074 465 L CA 1.107 55.897 54.840 -0.083 0.000 0.757 465 L CB -0.751 41.252 42.059 -0.094 0.000 0.918 465 L HN -0.060 nan 8.230 nan 0.000 0.444 466 L N -1.320 119.826 121.223 -0.129 0.000 2.249 466 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 466 L C 2.124 178.916 176.870 -0.130 0.000 1.090 466 L CA 0.923 55.680 54.840 -0.139 0.000 0.802 466 L CB 0.106 42.027 42.059 -0.230 0.000 0.947 466 L HN 0.168 nan 8.230 nan 0.000 0.453 467 A N -1.315 121.373 122.820 -0.219 0.000 2.134 467 A HA 0.031 4.351 4.320 -0.000 0.000 0.223 467 A C 1.737 179.230 177.584 -0.152 0.000 1.738 467 A CA 0.337 52.227 52.037 -0.244 0.000 0.722 467 A CB -0.966 17.707 19.000 -0.543 0.000 1.346 467 A HN 0.275 nan 8.150 nan 0.000 0.557 468 Y N 0.883 121.157 120.300 -0.043 0.000 2.145 468 Y HA -0.043 4.506 4.550 -0.000 0.000 0.286 468 Y C 2.792 178.618 175.900 -0.124 0.000 1.145 468 Y CA 0.676 58.731 58.100 -0.074 0.000 1.148 468 Y CB -1.421 36.998 38.460 -0.069 0.000 0.981 468 Y HN 0.324 nan 8.280 nan 0.000 0.507 469 G N 0.177 108.949 108.800 -0.047 0.000 2.418 469 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 469 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 469 G C 1.713 176.558 174.900 -0.092 0.000 1.158 469 G CA 1.166 46.138 45.100 -0.214 0.000 0.771 469 G HN 0.403 nan 8.290 nan 0.000 0.545 470 I N 1.200 121.720 120.570 -0.083 0.000 2.315 470 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 470 I C 3.259 179.319 176.117 -0.096 0.000 1.117 470 I CA 0.857 62.013 61.300 -0.239 0.000 1.404 470 I CB -0.324 37.412 38.000 -0.440 0.000 1.071 470 I HN 0.246 nan 8.210 nan 0.000 0.419 471 A N 1.517 124.318 122.820 -0.032 0.000 1.873 471 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 471 A C 2.303 179.889 177.584 0.002 0.000 1.186 471 A CA 1.351 53.395 52.037 0.011 0.000 0.616 471 A CB -0.787 18.241 19.000 0.047 0.000 0.823 471 A HN 0.310 nan 8.150 nan 0.000 0.442 472 I N -0.245 120.306 120.570 -0.031 0.000 2.118 472 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 472 I C 2.297 178.435 176.117 0.035 0.000 1.070 472 I CA 2.175 63.440 61.300 -0.057 0.000 1.327 472 I CB -0.404 37.543 38.000 -0.088 0.000 1.034 472 I HN 0.396 nan 8.210 nan 0.000 0.405 473 D N -0.156 120.290 120.400 0.076 0.000 2.144 473 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 473 D C 2.006 178.412 176.300 0.177 0.000 0.984 473 D CA 0.923 55.028 54.000 0.175 0.000 0.834 473 D CB 0.116 41.106 40.800 0.318 0.000 0.955 473 D HN 0.162 nan 8.370 nan 0.000 0.465 474 Q N -0.432 119.451 119.800 0.139 0.000 2.482 474 Q HA 0.145 4.484 4.340 -0.000 0.000 0.209 474 Q C 1.144 177.232 176.000 0.146 0.000 0.961 474 Q CA 0.733 56.622 55.803 0.144 0.000 0.945 474 Q CB 0.317 29.122 28.738 0.112 0.000 1.012 474 Q HN 0.401 nan 8.270 nan 0.000 0.515 475 G N 1.035 109.932 108.800 0.163 0.000 2.221 475 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.265 475 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.265 475 G C 0.532 175.613 174.900 0.301 0.000 1.041 475 G CA 0.514 45.764 45.100 0.249 0.000 0.807 475 G HN 0.434 nan 8.290 nan 0.000 0.502 476 L N -1.141 120.188 121.223 0.177 0.000 2.616 476 L HA 0.516 4.856 4.340 -0.000 0.000 0.229 476 L C 1.395 178.315 176.870 0.083 0.000 1.110 476 L CA 0.847 55.789 54.840 0.171 0.000 0.884 476 L CB -0.067 42.054 42.059 0.103 0.000 1.115 476 L HN 0.648 nan 8.230 nan 0.000 0.481 477 M N -2.896 116.578 119.600 -0.210 0.000 2.773 477 M HA 0.767 5.246 4.480 -0.000 0.000 0.270 477 M C -0.729 174.793 176.300 -1.296 0.000 1.238 477 M CA -0.699 54.249 55.300 -0.588 0.000 0.832 477 M CB 1.737 34.185 32.600 -0.254 0.000 1.672 477 M HN -0.178 nan 8.290 nan 0.000 0.480 478 G N -0.082 107.767 108.800 -1.584 0.000 3.015 478 G HA2 0.529 4.488 3.960 -0.000 0.000 0.281 478 G HA3 0.529 4.488 3.960 -0.000 0.000 0.281 478 G C 0.327 174.854 174.900 -0.622 0.000 1.386 478 G CA -0.265 43.960 45.100 -1.459 0.000 0.959 478 G HN 1.043 nan 8.290 nan 0.000 0.522 479 S N -0.726 114.755 115.700 -0.365 0.000 2.407 479 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 479 S C 1.020 175.504 174.600 -0.193 0.000 1.036 479 S CA 1.944 60.023 58.200 -0.202 0.000 1.013 479 S CB -0.035 63.111 63.200 -0.090 0.000 0.820 479 S HN 0.486 nan 8.310 nan 0.000 0.476 480 E N 0.690 120.784 120.200 -0.178 0.000 2.660 480 E HA 0.233 4.583 4.350 -0.000 0.000 0.216 480 E C -0.251 176.317 176.600 -0.053 0.000 0.986 480 E CA -0.060 56.276 56.400 -0.107 0.000 1.037 480 E CB 0.400 30.044 29.700 -0.093 0.000 1.041 480 E HN 0.379 nan 8.360 nan 0.000 0.480 481 T N 2.403 116.909 114.554 -0.080 0.000 2.946 481 T HA 0.007 4.356 4.350 -0.000 0.000 0.312 481 T C 0.569 175.255 174.700 -0.024 0.000 1.066 481 T CA 0.399 62.486 62.100 -0.022 0.000 1.138 481 T CB 0.455 69.257 68.868 -0.110 0.000 1.014 481 T HN -0.053 nan 8.240 nan 0.000 0.544 482 I N 3.673 124.270 120.570 0.045 0.000 2.428 482 I HA 0.453 4.623 4.170 -0.000 0.000 0.296 482 I C 0.063 176.174 176.117 -0.010 0.000 0.985 482 I CA -0.676 60.647 61.300 0.037 0.000 1.260 482 I CB 1.163 39.274 38.000 0.185 0.000 1.389 482 I HN 0.474 nan 8.210 nan 0.000 0.484 483 L N 3.248 124.435 121.223 -0.060 0.000 2.354 483 L HA 0.432 4.772 4.340 -0.000 0.000 0.264 483 L C 0.299 177.096 176.870 -0.122 0.000 1.008 483 L CA -0.565 54.231 54.840 -0.072 0.000 0.819 483 L CB 1.718 43.779 42.059 0.003 0.000 1.339 483 L HN 0.511 nan 8.230 nan 0.000 0.420 484 S N 0.517 116.127 115.700 -0.150 0.000 2.528 484 S HA 0.164 4.634 4.470 -0.000 0.000 0.277 484 S C 0.426 175.037 174.600 0.018 0.000 1.297 484 S CA -0.157 57.977 58.200 -0.110 0.000 1.052 484 S CB 0.047 63.103 63.200 -0.241 0.000 0.917 484 S HN 0.766 nan 8.310 nan 0.000 0.492 485 N N 3.361 121.963 118.700 -0.164 0.000 2.197 485 N HA 0.093 4.833 4.740 -0.000 0.000 0.228 485 N C -1.021 174.330 175.510 -0.264 0.000 1.212 485 N CA -0.243 52.658 53.050 -0.249 0.000 0.883 485 N CB 0.214 38.355 38.487 -0.576 0.000 1.107 485 N HN 0.624 nan 8.380 nan 0.000 0.519 486 Y N 1.944 122.153 120.300 -0.151 0.000 2.683 486 Y HA 0.092 4.642 4.550 -0.000 0.000 0.340 486 Y C -1.750 174.124 175.900 -0.043 0.000 1.245 486 Y CA -1.003 57.027 58.100 -0.117 0.000 1.485 486 Y CB 0.002 38.393 38.460 -0.114 0.000 1.328 486 Y HN 0.169 nan 8.280 nan 0.000 0.603 487 P HA -0.059 nan 4.420 nan 0.000 0.264 487 P C -0.294 177.037 177.300 0.053 0.000 1.179 487 P CA 0.547 63.674 63.100 0.044 0.000 0.763 487 P CB 0.594 32.317 31.700 0.039 0.000 0.806 488 T N 1.923 116.445 114.554 -0.053 0.000 2.786 488 T HA 0.411 4.761 4.350 -0.000 0.000 0.316 488 T C -1.546 172.977 174.700 -0.296 0.000 1.503 488 T CA -0.659 61.380 62.100 -0.102 0.000 1.019 488 T CB 0.721 69.563 68.868 -0.043 0.000 1.415 488 T HN 0.159 nan 8.240 nan 0.000 0.496 489 N N 0.731 119.243 118.700 -0.313 0.000 2.272 489 N HA 0.600 5.340 4.740 -0.000 0.000 0.305 489 N C -0.808 174.432 175.510 -0.449 0.000 1.103 489 N CA -0.551 52.304 53.050 -0.325 0.000 0.791 489 N CB 0.940 39.357 38.487 -0.117 0.000 1.356 489 N HN 0.409 nan 8.380 nan 0.000 0.486 490 F N 1.019 120.800 119.950 -0.282 0.000 2.532 490 F HA 0.124 4.651 4.527 -0.000 0.000 0.323 490 F C 1.927 177.666 175.800 -0.102 0.000 1.234 490 F CA -0.188 57.673 58.000 -0.233 0.000 1.323 490 F CB 0.146 39.049 39.000 -0.163 0.000 1.183 490 F HN 0.630 nan 8.300 nan 0.000 0.589 491 A N 0.986 123.919 122.820 0.189 0.000 2.019 491 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 491 A C 1.674 179.307 177.584 0.082 0.000 1.164 491 A CA 1.659 53.763 52.037 0.112 0.000 0.644 491 A CB -1.241 17.823 19.000 0.107 0.000 0.805 491 A HN 0.830 nan 8.150 nan 0.000 0.449 492 N N -1.434 117.317 118.700 0.085 0.000 2.521 492 N HA 0.252 4.992 4.740 -0.000 0.000 0.188 492 N C 1.108 176.652 175.510 0.056 0.000 1.146 492 N CA 1.312 54.395 53.050 0.056 0.000 0.893 492 N CB -0.277 38.231 38.487 0.035 0.000 0.975 492 N HN 0.674 nan 8.380 nan 0.000 0.451 493 G N -0.583 108.255 108.800 0.063 0.000 2.234 493 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 493 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 493 G C -0.422 174.504 174.900 0.044 0.000 0.987 493 G CA 0.108 45.232 45.100 0.041 0.000 0.625 493 G HN 0.607 nan 8.290 nan 0.000 0.532 494 N N 3.049 121.800 118.700 0.084 0.000 2.458 494 N HA 0.398 5.138 4.740 -0.000 0.000 0.258 494 N C -2.275 173.272 175.510 0.062 0.000 1.219 494 N CA -0.621 52.488 53.050 0.098 0.000 0.902 494 N CB 0.875 39.446 38.487 0.139 0.000 1.076 494 N HN 0.237 nan 8.380 nan 0.000 0.455 495 P HA 0.032 nan 4.420 nan 0.000 0.271 495 P C -0.365 176.838 177.300 -0.161 0.000 1.216 495 P CA 0.234 63.279 63.100 -0.090 0.000 0.776 495 P CB 0.707 32.388 31.700 -0.031 0.000 0.881 496 I N 3.687 124.013 120.570 -0.407 0.000 2.436 496 I HA 0.135 4.304 4.170 -0.000 0.000 0.289 496 I C 0.983 177.049 176.117 -0.086 0.000 1.083 496 I CA 0.142 61.190 61.300 -0.419 0.000 1.372 496 I CB -0.121 37.428 38.000 -0.753 0.000 1.408 496 I HN 0.122 nan 8.210 nan 0.000 0.516 497 M N 6.696 126.323 119.600 0.045 0.000 2.537 497 M HA 0.273 4.753 4.480 -0.000 0.000 0.324 497 M C -0.795 175.638 176.300 0.222 0.000 1.187 497 M CA -0.644 54.730 55.300 0.123 0.000 0.993 497 M CB 1.680 34.335 32.600 0.093 0.000 1.666 497 M HN 0.437 nan 8.290 nan 0.000 0.461 498 Y N 1.908 122.276 120.300 0.114 0.000 2.646 498 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 498 Y C 0.337 176.235 175.900 -0.004 0.000 1.004 498 Y CA 0.436 58.576 58.100 0.065 0.000 1.301 498 Y CB 0.278 38.820 38.460 0.136 0.000 1.093 498 Y HN 1.023 nan 8.280 nan 0.000 0.530 499 A N 3.471 126.143 122.820 -0.246 0.000 5.255 499 A HA -0.370 3.950 4.320 -0.000 0.000 0.295 499 A C 0.905 178.451 177.584 -0.063 0.000 2.040 499 A CA 1.588 53.492 52.037 -0.222 0.000 0.716 499 A CB -1.532 17.251 19.000 -0.361 0.000 1.229 499 A HN 0.717 nan 8.150 nan 0.000 0.358 500 N N 0.539 119.221 118.700 -0.031 0.000 2.299 500 N HA 0.174 4.914 4.740 -0.000 0.000 0.187 500 N C 0.559 176.121 175.510 0.087 0.000 1.099 500 N CA 0.975 54.041 53.050 0.026 0.000 0.867 500 N CB 0.425 38.920 38.487 0.013 0.000 0.974 500 N HN 0.835 nan 8.380 nan 0.000 0.477 501 S N 0.516 116.317 115.700 0.168 0.000 2.562 501 S HA 0.255 4.725 4.470 -0.000 0.000 0.275 501 S C 0.846 175.599 174.600 0.256 0.000 1.281 501 S CA -0.419 57.934 58.200 0.255 0.000 1.045 501 S CB 1.508 64.974 63.200 0.443 0.000 0.962 501 S HN -0.007 nan 8.310 nan 0.000 0.503 502 K N 2.271 122.768 120.400 0.161 0.000 2.374 502 K HA 0.369 4.689 4.320 -0.000 0.000 0.196 502 K C 0.695 177.321 176.600 0.044 0.000 1.023 502 K CA 0.345 56.688 56.287 0.093 0.000 1.103 502 K CB 0.401 32.929 32.500 0.047 0.000 0.848 502 K HN 0.875 nan 8.250 nan 0.000 0.528 503 G N -0.460 108.348 108.800 0.013 0.000 2.359 503 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.303 503 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.303 503 G C -0.060 174.624 174.900 -0.360 0.000 1.293 503 G CA -0.321 44.659 45.100 -0.200 0.000 0.964 503 G HN 0.035 nan 8.290 nan 0.000 0.531 504 T N -3.137 111.065 114.554 -0.587 0.000 2.709 504 T HA 0.822 5.172 4.350 -0.000 0.000 0.147 504 T C 1.102 175.358 174.700 -0.739 0.000 0.821 504 T CA 1.085 62.839 62.100 -0.577 0.000 0.830 504 T CB 0.796 69.225 68.868 -0.733 0.000 2.347 504 T HN 2.295 nan 8.240 nan 0.000 0.351 505 G N 0.856 109.117 108.800 -0.898 0.000 3.085 505 G HA2 0.569 4.529 3.960 -0.000 0.000 0.264 505 G HA3 0.569 4.529 3.960 -0.000 0.000 0.264 505 G C -1.045 173.318 174.900 -0.896 0.000 1.206 505 G CA -0.901 43.383 45.100 -1.361 0.000 0.809 505 G HN 0.447 nan 8.290 nan 0.000 0.592 506 M N 1.214 120.458 119.600 -0.592 0.000 2.249 506 M HA 0.448 4.928 4.480 -0.000 0.000 0.340 506 M C 0.265 176.400 176.300 -0.276 0.000 1.166 506 M CA 0.100 55.230 55.300 -0.285 0.000 1.115 506 M CB 0.013 32.558 32.600 -0.091 0.000 1.606 506 M HN 0.661 nan 8.290 nan 0.000 0.448 507 M N 0.488 119.959 119.600 -0.215 0.000 2.520 507 M HA 0.580 5.060 4.480 -0.000 0.000 0.280 507 M C -0.198 176.029 176.300 -0.121 0.000 1.232 507 M CA -0.946 54.240 55.300 -0.189 0.000 0.892 507 M CB 1.838 34.276 32.600 -0.269 0.000 1.728 507 M HN 0.647 nan 8.290 nan 0.000 0.475 508 T N -0.383 114.112 114.554 -0.099 0.000 2.748 508 T HA 0.197 4.547 4.350 -0.000 0.000 0.304 508 T C 0.843 175.476 174.700 -0.112 0.000 1.041 508 T CA -0.398 61.649 62.100 -0.088 0.000 1.033 508 T CB 0.818 69.640 68.868 -0.077 0.000 0.995 508 T HN 0.778 nan 8.240 nan 0.000 0.536 509 L N 2.024 123.157 121.223 -0.150 0.000 2.083 509 L HA 0.162 4.502 4.340 -0.000 0.000 0.209 509 L C 2.572 179.329 176.870 -0.187 0.000 1.083 509 L CA 2.466 57.162 54.840 -0.241 0.000 0.752 509 L CB -1.496 40.387 42.059 -0.295 0.000 0.899 509 L HN 0.977 nan 8.230 nan 0.000 0.433 510 G N -1.004 107.731 108.800 -0.108 0.000 2.476 510 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.218 510 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.218 510 G C 1.549 176.461 174.900 0.021 0.000 1.164 510 G CA 0.968 46.042 45.100 -0.042 0.000 0.768 510 G HN 0.570 nan 8.290 nan 0.000 0.560 511 E N 0.178 120.397 120.200 0.033 0.000 2.112 511 E HA 0.126 4.476 4.350 -0.000 0.000 0.190 511 E C 2.826 179.566 176.600 0.232 0.000 0.979 511 E CA 0.691 57.178 56.400 0.145 0.000 0.814 511 E CB -0.176 29.550 29.700 0.044 0.000 0.762 511 E HN 0.326 nan 8.360 nan 0.000 0.460 512 A N 1.381 124.263 122.820 0.104 0.000 1.859 512 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 512 A C 2.189 179.882 177.584 0.182 0.000 1.198 512 A CA 1.487 53.616 52.037 0.154 0.000 0.629 512 A CB -0.960 18.021 19.000 -0.032 0.000 0.830 512 A HN 0.320 nan 8.150 nan 0.000 0.446 513 L N -0.434 120.816 121.223 0.045 0.000 2.042 513 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 513 L C 2.420 179.354 176.870 0.107 0.000 1.076 513 L CA 1.771 56.660 54.840 0.081 0.000 0.749 513 L CB -0.621 41.434 42.059 -0.006 0.000 0.893 513 L HN 0.526 nan 8.230 nan 0.000 0.432 514 N N -1.513 117.258 118.700 0.117 0.000 2.223 514 N HA -0.196 4.544 4.740 -0.000 0.000 0.185 514 N C 1.519 176.987 175.510 -0.070 0.000 1.016 514 N CA 1.138 54.218 53.050 0.049 0.000 0.863 514 N CB 0.043 38.585 38.487 0.092 0.000 0.983 514 N HN 0.301 nan 8.380 nan 0.000 0.429 515 Y N -0.412 119.893 120.300 0.007 0.000 2.507 515 Y HA 0.184 4.734 4.550 -0.000 0.000 0.263 515 Y C 1.254 177.062 175.900 -0.154 0.000 1.093 515 Y CA -0.007 58.015 58.100 -0.130 0.000 1.285 515 Y CB 0.603 38.885 38.460 -0.298 0.000 1.115 515 Y HN -0.211 nan 8.280 nan 0.000 0.533 516 S N -0.768 115.004 115.700 0.120 0.000 3.695 516 S HA -0.205 4.265 4.470 -0.000 0.000 0.310 516 S C -0.316 174.362 174.600 0.130 0.000 1.166 516 S CA -0.109 58.188 58.200 0.161 0.000 0.882 516 S CB -1.739 61.561 63.200 0.166 0.000 0.949 516 S HN 0.483 nan 8.310 nan 0.000 0.540 517 W N 1.713 122.955 121.300 -0.098 0.000 2.293 517 W HA 0.143 4.802 4.660 -0.000 0.000 0.342 517 W C 1.414 177.940 176.519 0.011 0.000 1.274 517 W CA -0.149 57.017 57.345 -0.298 0.000 1.290 517 W CB 0.214 29.486 29.460 -0.314 0.000 1.176 517 W HN 0.273 nan 8.180 nan 0.000 0.570 518 N N 1.824 120.727 118.700 0.338 0.000 2.387 518 N HA -0.021 4.719 4.740 -0.000 0.000 0.176 518 N C 1.707 177.345 175.510 0.213 0.000 1.022 518 N CA 0.780 53.989 53.050 0.265 0.000 0.883 518 N CB -0.109 38.529 38.487 0.251 0.000 1.019 518 N HN 0.448 nan 8.380 nan 0.000 0.435 519 I N 1.925 122.599 120.570 0.174 0.000 2.163 519 I HA -0.176 3.994 4.170 -0.000 0.000 0.243 519 I C -0.807 175.467 176.117 0.261 0.000 1.085 519 I CA 1.303 62.669 61.300 0.111 0.000 1.347 519 I CB -1.224 36.802 38.000 0.044 0.000 1.044 519 I HN 0.054 nan 8.210 nan 0.000 0.408 520 P HA -0.145 nan 4.420 nan 0.000 0.221 520 P C 1.189 178.726 177.300 0.395 0.000 1.145 520 P CA 1.533 64.852 63.100 0.365 0.000 0.795 520 P CB -0.028 31.824 31.700 0.253 0.000 0.775 521 A N -1.444 121.563 122.820 0.311 0.000 1.935 521 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 521 A C 2.208 179.852 177.584 0.099 0.000 1.178 521 A CA 0.781 52.878 52.037 0.101 0.000 0.640 521 A CB -1.726 17.268 19.000 -0.010 0.000 0.825 521 A HN 0.125 nan 8.150 nan 0.000 0.447 522 Y N -0.505 119.812 120.300 0.028 0.000 2.069 522 Y HA -0.340 4.210 4.550 -0.000 0.000 0.278 522 Y C 2.090 177.993 175.900 0.005 0.000 1.175 522 Y CA 2.187 60.263 58.100 -0.040 0.000 1.134 522 Y CB -0.604 37.710 38.460 -0.245 0.000 0.965 522 Y HN 0.464 nan 8.280 nan 0.000 0.498 523 W N -0.088 121.119 121.300 -0.154 0.000 2.388 523 W HA -0.150 4.509 4.660 -0.000 0.000 0.294 523 W C 2.526 178.981 176.519 -0.106 0.000 1.212 523 W CA 1.408 58.635 57.345 -0.196 0.000 1.271 523 W CB -0.565 28.895 29.460 -0.000 0.000 1.126 523 W HN -0.056 nan 8.180 nan 0.000 0.535 524 T N -0.491 114.196 114.554 0.221 0.000 2.708 524 T HA -0.309 4.041 4.350 -0.000 0.000 0.266 524 T C 1.339 176.096 174.700 0.095 0.000 1.037 524 T CA 1.594 63.786 62.100 0.153 0.000 1.146 524 T CB -0.757 68.216 68.868 0.175 0.000 0.865 524 T HN 0.160 nan 8.240 nan 0.000 0.435 525 Y N 2.089 122.337 120.300 -0.086 0.000 2.263 525 Y HA 0.023 4.572 4.550 -0.000 0.000 0.292 525 Y C 2.608 178.458 175.900 -0.083 0.000 1.130 525 Y CA 1.011 59.057 58.100 -0.090 0.000 1.179 525 Y CB -0.313 38.089 38.460 -0.097 0.000 0.998 525 Y HN -0.009 nan 8.280 nan 0.000 0.532 526 R N 0.256 120.653 120.500 -0.172 0.000 2.091 526 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 526 R C 2.491 178.719 176.300 -0.121 0.000 1.136 526 R CA 2.098 58.058 56.100 -0.234 0.000 0.959 526 R CB -0.507 29.593 30.300 -0.332 0.000 0.856 526 R HN 0.536 nan 8.270 nan 0.000 0.437 527 M N 0.389 119.972 119.600 -0.028 0.000 2.213 527 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 527 M C 1.607 177.880 176.300 -0.044 0.000 1.062 527 M CA 1.561 56.859 55.300 -0.004 0.000 1.105 527 M CB 0.027 32.652 32.600 0.042 0.000 1.385 527 M HN 0.292 nan 8.290 nan 0.000 0.417 528 L N -0.293 120.877 121.223 -0.088 0.000 2.056 528 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 528 L C 2.673 179.448 176.870 -0.157 0.000 1.078 528 L CA 1.139 55.920 54.840 -0.098 0.000 0.749 528 L CB -0.643 41.369 42.059 -0.078 0.000 0.901 528 L HN 0.326 nan 8.230 nan 0.000 0.433 529 R N 0.213 120.543 120.500 -0.283 0.000 2.092 529 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 529 R C 2.045 178.277 176.300 -0.115 0.000 1.119 529 R CA 1.200 57.159 56.100 -0.235 0.000 0.970 529 R CB -0.259 29.847 30.300 -0.323 0.000 0.864 529 R HN 0.469 nan 8.270 nan 0.000 0.440 530 E N 0.408 120.558 120.200 -0.083 0.000 2.265 530 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 530 E C 0.933 177.522 176.600 -0.019 0.000 0.996 530 E CA 0.978 57.358 56.400 -0.033 0.000 0.832 530 E CB -0.087 29.608 29.700 -0.009 0.000 0.756 530 E HN 0.327 nan 8.360 nan 0.000 0.491 531 N N -0.671 118.015 118.700 -0.022 0.000 2.322 531 N HA 0.079 4.818 4.740 -0.000 0.000 0.194 531 N C 0.428 175.936 175.510 -0.005 0.000 1.126 531 N CA 0.559 53.607 53.050 -0.003 0.000 0.845 531 N CB 1.166 39.660 38.487 0.013 0.000 0.976 531 N HN 0.184 nan 8.380 nan 0.000 0.475 532 G N 0.116 108.903 108.800 -0.022 0.000 2.225 532 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.267 532 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.267 532 G C -0.023 174.874 174.900 -0.005 0.000 1.024 532 G CA 0.228 45.318 45.100 -0.018 0.000 0.784 532 G HN 0.182 nan 8.290 nan 0.000 0.507 533 V N 0.370 120.283 119.914 -0.002 0.000 2.637 533 V HA 0.210 4.330 4.120 -0.000 0.000 0.296 533 V C 0.980 177.098 176.094 0.041 0.000 1.046 533 V CA 0.111 62.435 62.300 0.041 0.000 1.066 533 V CB 1.564 33.418 31.823 0.052 0.000 0.968 533 V HN 0.363 nan 8.190 nan 0.000 0.483 534 D N 3.910 124.355 120.400 0.076 0.000 2.600 534 D HA 0.096 4.736 4.640 -0.000 0.000 0.226 534 D C 1.013 177.391 176.300 0.129 0.000 1.119 534 D CA 0.128 54.153 54.000 0.041 0.000 1.051 534 D CB 0.517 41.317 40.800 0.000 0.000 1.106 534 D HN 0.292 nan 8.370 nan 0.000 0.491 535 V N 2.916 122.882 119.914 0.086 0.000 2.392 535 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 535 V C 2.484 178.605 176.094 0.046 0.000 1.059 535 V CA 1.660 64.048 62.300 0.147 0.000 1.051 535 V CB -0.411 31.565 31.823 0.255 0.000 0.658 535 V HN 0.481 nan 8.190 nan 0.000 0.455 536 K N 0.353 120.556 120.400 -0.330 0.000 2.097 536 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 536 K C 2.189 178.707 176.600 -0.137 0.000 1.050 536 K CA 1.403 57.388 56.287 -0.503 0.000 0.938 536 K CB -0.552 31.388 32.500 -0.934 0.000 0.718 536 K HN 0.457 nan 8.250 nan 0.000 0.442 537 G N 0.469 109.210 108.800 -0.100 0.000 2.476 537 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.218 537 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.218 537 G C 1.171 176.017 174.900 -0.089 0.000 1.164 537 G CA 1.222 46.260 45.100 -0.104 0.000 0.768 537 G HN 0.338 nan 8.290 nan 0.000 0.560 538 Y N 0.262 120.502 120.300 -0.100 0.000 2.070 538 Y HA -0.159 4.391 4.550 -0.000 0.000 0.280 538 Y C 3.232 179.088 175.900 -0.073 0.000 1.148 538 Y CA 1.659 59.678 58.100 -0.136 0.000 1.125 538 Y CB -0.207 38.175 38.460 -0.130 0.000 0.975 538 Y HN 0.053 nan 8.280 nan 0.000 0.492 539 M N -0.198 119.528 119.600 0.210 0.000 2.149 539 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 539 M C 1.781 178.217 176.300 0.226 0.000 1.064 539 M CA 1.557 57.013 55.300 0.261 0.000 1.102 539 M CB -1.190 31.585 32.600 0.291 0.000 1.369 539 M HN 0.381 nan 8.290 nan 0.000 0.408 540 E N 0.194 120.460 120.200 0.110 0.000 2.285 540 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 540 E C 1.936 178.490 176.600 -0.077 0.000 0.997 540 E CA 0.519 56.944 56.400 0.043 0.000 0.845 540 E CB 0.042 29.757 29.700 0.025 0.000 0.782 540 E HN 0.528 nan 8.360 nan 0.000 0.491 541 K N 0.162 120.479 120.400 -0.138 0.000 2.211 541 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 541 K C 1.623 177.809 176.600 -0.690 0.000 1.050 541 K CA 0.923 57.040 56.287 -0.283 0.000 0.945 541 K CB 0.049 32.406 32.500 -0.239 0.000 0.732 541 K HN 0.153 nan 8.250 nan 0.000 0.451 542 M N -0.350 118.925 119.600 -0.540 0.000 2.494 542 M HA 0.123 4.603 4.480 -0.000 0.000 0.232 542 M C 0.525 176.481 176.300 -0.574 0.000 1.137 542 M CA 0.249 55.071 55.300 -0.796 0.000 1.012 542 M CB 0.920 33.412 32.600 -0.179 0.000 1.567 542 M HN 0.362 nan 8.290 nan 0.000 0.486 543 G N 0.376 108.968 108.800 -0.348 0.000 2.136 543 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 543 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 543 G C -0.400 174.430 174.900 -0.117 0.000 0.989 543 G CA -0.393 44.613 45.100 -0.157 0.000 0.682 543 G HN 0.508 nan 8.290 nan 0.000 0.522 544 Y N 1.104 121.415 120.300 0.018 0.000 2.336 544 Y HA 0.445 4.995 4.550 -0.000 0.000 0.335 544 Y C 0.954 176.887 175.900 0.056 0.000 1.046 544 Y CA -0.365 57.762 58.100 0.045 0.000 1.198 544 Y CB 0.835 39.327 38.460 0.053 0.000 1.182 544 Y HN 0.242 nan 8.280 nan 0.000 0.502 545 E N 5.415 125.734 120.200 0.198 0.000 2.035 545 E HA 0.351 4.701 4.350 -0.000 0.000 0.271 545 E C -1.029 175.619 176.600 0.081 0.000 0.953 545 E CA -0.199 56.281 56.400 0.133 0.000 0.777 545 E CB 0.863 30.614 29.700 0.086 0.000 1.104 545 E HN 0.518 nan 8.360 nan 0.000 0.408 546 I N 4.783 125.387 120.570 0.057 0.000 2.382 546 I HA 0.183 4.353 4.170 -0.000 0.000 0.286 546 I C -1.343 174.739 176.117 -0.059 0.000 1.002 546 I CA -1.973 59.245 61.300 -0.137 0.000 1.135 546 I CB 1.750 39.439 38.000 -0.518 0.000 1.288 546 I HN 0.358 nan 8.210 nan 0.000 0.448 547 P HA -0.062 nan 4.420 nan 0.000 0.221 547 P C 0.125 177.446 177.300 0.035 0.000 1.150 547 P CA 1.114 64.225 63.100 0.017 0.000 0.800 547 P CB 0.386 32.086 31.700 0.001 0.000 0.787 548 E N -1.360 118.810 120.200 -0.050 0.000 2.281 548 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 548 E C -0.782 175.781 176.600 -0.061 0.000 0.893 548 E CA -0.643 55.764 56.400 0.011 0.000 0.798 548 E CB 0.371 30.069 29.700 -0.003 0.000 1.245 548 E HN -0.149 nan 8.360 nan 0.000 0.410 549 Y N 1.863 122.197 120.300 0.056 0.000 2.500 549 Y HA 0.315 4.865 4.550 -0.000 0.000 0.270 549 Y C 1.598 177.604 175.900 0.178 0.000 1.134 549 Y CA 0.641 58.809 58.100 0.112 0.000 1.293 549 Y CB 1.148 39.688 38.460 0.134 0.000 1.063 549 Y HN 0.614 nan 8.280 nan 0.000 0.534 550 G N 1.189 110.120 108.800 0.220 0.000 3.343 550 G HA2 0.463 4.423 3.960 -0.000 0.000 0.279 550 G HA3 0.463 4.423 3.960 -0.000 0.000 0.279 550 G C -0.464 174.514 174.900 0.130 0.000 0.919 550 G CA -0.066 45.138 45.100 0.173 0.000 1.812 550 G HN 0.166 nan 8.290 nan 0.000 0.584 551 I N 0.354 121.025 120.570 0.168 0.000 2.534 551 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 551 I C 0.764 176.968 176.117 0.145 0.000 1.094 551 I CA -0.582 60.765 61.300 0.078 0.000 1.055 551 I CB 2.378 40.363 38.000 -0.025 0.000 1.225 551 I HN 0.306 nan 8.210 nan 0.000 0.435 552 E N 2.222 122.517 120.200 0.159 0.000 2.147 552 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 552 E C 1.481 178.288 176.600 0.344 0.000 1.005 552 E CA 1.973 58.568 56.400 0.325 0.000 0.810 552 E CB 0.088 30.040 29.700 0.420 0.000 0.736 552 E HN 0.717 nan 8.360 nan 0.000 0.460 553 S N -0.276 115.497 115.700 0.121 0.000 2.572 553 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 553 S C 1.539 176.112 174.600 -0.046 0.000 0.963 553 S CA -0.380 57.879 58.200 0.099 0.000 0.939 553 S CB 0.200 63.381 63.200 -0.031 0.000 0.804 553 S HN 0.083 nan 8.310 nan 0.000 0.480 554 L N 3.042 124.180 121.223 -0.141 0.000 2.021 554 L HA -0.020 4.320 4.340 -0.000 0.000 0.215 554 L C -0.922 175.721 176.870 -0.379 0.000 1.074 554 L CA 2.096 56.737 54.840 -0.331 0.000 0.760 554 L CB -1.002 40.734 42.059 -0.539 0.000 0.889 554 L HN 0.225 nan 8.230 nan 0.000 0.433 555 P HA -0.128 nan 4.420 nan 0.000 0.230 555 P C 1.213 178.406 177.300 -0.179 0.000 1.158 555 P CA 1.341 64.251 63.100 -0.316 0.000 0.769 555 P CB -0.042 31.485 31.700 -0.288 0.000 0.807 556 M N -1.677 117.861 119.600 -0.103 0.000 2.495 556 M HA 0.327 4.807 4.480 -0.000 0.000 0.237 556 M C 1.205 177.453 176.300 -0.085 0.000 1.131 556 M CA 0.812 56.086 55.300 -0.043 0.000 1.032 556 M CB -0.284 32.342 32.600 0.044 0.000 1.513 556 M HN 0.042 nan 8.290 nan 0.000 0.488 557 G N -0.372 108.338 108.800 -0.149 0.000 2.154 557 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.186 557 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.186 557 G C 0.288 175.097 174.900 -0.151 0.000 1.000 557 G CA -0.472 44.520 45.100 -0.179 0.000 0.664 557 G HN 0.669 nan 8.290 nan 0.000 0.513 558 G N -0.817 107.901 108.800 -0.137 0.000 2.355 558 G HA2 0.597 4.557 3.960 -0.000 0.000 0.276 558 G HA3 0.597 4.557 3.960 -0.000 0.000 0.276 558 G C 1.273 176.085 174.900 -0.146 0.000 1.198 558 G CA 1.048 46.075 45.100 -0.120 0.000 0.876 558 G HN 1.819 nan 8.290 nan 0.000 0.478 559 G N 0.892 109.618 108.800 -0.124 0.000 2.136 559 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.242 559 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.242 559 G C 0.088 174.894 174.900 -0.157 0.000 0.989 559 G CA 0.361 45.382 45.100 -0.131 0.000 0.682 559 G HN 0.859 nan 8.290 nan 0.000 0.522 560 I N 0.584 121.062 120.570 -0.153 0.000 2.569 560 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 560 I C -0.347 175.697 176.117 -0.122 0.000 1.088 560 I CA -0.892 60.308 61.300 -0.166 0.000 1.047 560 I CB 2.105 39.959 38.000 -0.244 0.000 1.237 560 I HN 0.350 nan 8.210 nan 0.000 0.421 561 E N 6.156 126.307 120.200 -0.083 0.000 2.292 561 E HA 0.744 5.094 4.350 -0.000 0.000 0.272 561 E C -1.415 175.171 176.600 -0.023 0.000 0.881 561 E CA -0.868 55.504 56.400 -0.048 0.000 0.754 561 E CB 2.792 32.480 29.700 -0.019 0.000 1.201 561 E HN 0.357 nan 8.360 nan 0.000 0.425 562 V N -1.186 118.725 119.914 -0.005 0.000 3.078 562 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 562 V C 0.227 176.388 176.094 0.111 0.000 1.138 562 V CA -0.619 61.711 62.300 0.050 0.000 1.007 562 V CB 1.299 33.140 31.823 0.029 0.000 1.045 562 V HN 0.904 nan 8.190 nan 0.000 0.432 563 T N -0.471 114.134 114.554 0.085 0.000 2.868 563 T HA 0.381 4.731 4.350 -0.000 0.000 0.292 563 T C 1.115 175.916 174.700 0.168 0.000 1.028 563 T CA 0.248 62.375 62.100 0.045 0.000 1.059 563 T CB 1.388 70.242 68.868 -0.023 0.000 0.991 563 T HN 0.773 nan 8.240 nan 0.000 0.531 564 V N 2.089 122.051 119.914 0.079 0.000 2.407 564 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 564 V C 3.064 179.211 176.094 0.087 0.000 1.055 564 V CA 2.214 64.632 62.300 0.196 0.000 1.049 564 V CB -1.687 30.159 31.823 0.039 0.000 0.662 564 V HN 1.075 nan 8.190 nan 0.000 0.455 565 A N -0.143 122.581 122.820 -0.160 0.000 1.873 565 A HA -0.265 4.055 4.320 -0.000 0.000 0.215 565 A C 2.208 179.771 177.584 -0.033 0.000 1.186 565 A CA 2.024 53.917 52.037 -0.240 0.000 0.616 565 A CB -0.527 18.094 19.000 -0.631 0.000 0.823 565 A HN 0.531 nan 8.150 nan 0.000 0.442 566 Q N -0.528 119.277 119.800 0.008 0.000 2.119 566 Q HA -0.192 4.148 4.340 -0.000 0.000 0.201 566 Q C 1.872 177.925 176.000 0.089 0.000 0.972 566 Q CA 2.196 58.004 55.803 0.008 0.000 0.847 566 Q CB -0.701 28.025 28.738 -0.020 0.000 0.903 566 Q HN 0.826 nan 8.270 nan 0.000 0.433 567 H N -1.139 118.002 119.070 0.119 0.000 2.387 567 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 567 H C 1.272 176.770 175.328 0.283 0.000 1.090 567 H CA 1.602 57.794 56.048 0.239 0.000 1.332 567 H CB 0.421 30.289 29.762 0.177 0.000 1.386 567 H HN 0.376 nan 8.280 nan 0.000 0.516 568 T N 0.625 115.300 114.554 0.202 0.000 2.803 568 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 568 T C 1.855 176.660 174.700 0.174 0.000 1.052 568 T CA 1.145 63.343 62.100 0.164 0.000 1.136 568 T CB -0.202 68.740 68.868 0.123 0.000 0.864 568 T HN 0.351 nan 8.240 nan 0.000 0.467 569 N N 0.959 119.744 118.700 0.142 0.000 2.270 569 N HA -0.013 4.727 4.740 -0.000 0.000 0.181 569 N C 2.105 177.740 175.510 0.208 0.000 1.016 569 N CA 1.175 54.322 53.050 0.161 0.000 0.870 569 N CB -0.580 37.995 38.487 0.147 0.000 0.979 569 N HN 0.477 nan 8.380 nan 0.000 0.431 570 G N -1.028 107.887 108.800 0.191 0.000 2.402 570 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 570 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 570 G C 1.196 176.141 174.900 0.075 0.000 1.162 570 G CA 0.412 45.658 45.100 0.243 0.000 0.777 570 G HN 0.313 nan 8.290 nan 0.000 0.539 571 Y N 0.681 120.995 120.300 0.023 0.000 2.352 571 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 571 Y C 2.955 178.913 175.900 0.097 0.000 1.136 571 Y CA 1.269 59.389 58.100 0.033 0.000 1.227 571 Y CB -0.128 38.328 38.460 -0.005 0.000 0.991 571 Y HN 0.224 nan 8.280 nan 0.000 0.545 572 Q N 0.296 120.226 119.800 0.216 0.000 2.124 572 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 572 Q C 1.645 177.745 176.000 0.167 0.000 0.977 572 Q CA 2.125 58.039 55.803 0.185 0.000 0.850 572 Q CB -0.347 28.483 28.738 0.154 0.000 0.901 572 Q HN 0.432 nan 8.270 nan 0.000 0.429 573 T N 1.789 116.450 114.554 0.178 0.000 2.777 573 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 573 T C 2.041 176.837 174.700 0.161 0.000 1.040 573 T CA 1.238 63.457 62.100 0.198 0.000 1.141 573 T CB -0.135 68.902 68.868 0.282 0.000 0.868 573 T HN 0.223 nan 8.240 nan 0.000 0.444 574 L N 0.793 122.059 121.223 0.071 0.000 2.072 574 L HA 0.028 4.368 4.340 -0.000 0.000 0.205 574 L C 3.110 179.988 176.870 0.014 0.000 1.079 574 L CA 1.033 55.853 54.840 -0.035 0.000 0.752 574 L CB -0.746 41.174 42.059 -0.231 0.000 0.906 574 L HN 0.215 nan 8.230 nan 0.000 0.436 575 A N 0.261 123.137 122.820 0.094 0.000 1.917 575 A HA -0.259 4.060 4.320 -0.000 0.000 0.219 575 A C 1.748 179.531 177.584 0.331 0.000 1.182 575 A CA 2.107 54.300 52.037 0.259 0.000 0.633 575 A CB -0.733 18.475 19.000 0.347 0.000 0.819 575 A HN 0.445 nan 8.150 nan 0.000 0.448 576 N N 1.074 119.899 118.700 0.208 0.000 2.623 576 N HA 0.012 4.752 4.740 -0.000 0.000 0.263 576 N C -0.391 175.199 175.510 0.134 0.000 1.218 576 N CA 0.132 53.281 53.050 0.166 0.000 0.949 576 N CB -0.909 37.656 38.487 0.129 0.000 1.270 576 N HN 0.364 nan 8.380 nan 0.000 0.507 577 N N 0.322 119.109 118.700 0.145 0.000 2.693 577 N HA -0.241 4.499 4.740 -0.000 0.000 0.250 577 N C 0.741 176.320 175.510 0.116 0.000 1.033 577 N CA 1.220 54.338 53.050 0.113 0.000 0.747 577 N CB -1.427 37.123 38.487 0.106 0.000 0.964 577 N HN 0.608 nan 8.380 nan 0.000 0.540 578 G N -2.810 106.077 108.800 0.144 0.000 2.179 578 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 578 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 578 G C -0.167 174.832 174.900 0.164 0.000 0.990 578 G CA 0.068 45.301 45.100 0.222 0.000 0.646 578 G HN 0.417 nan 8.290 nan 0.000 0.517 579 V N 1.585 121.552 119.914 0.088 0.000 2.311 579 V HA 0.499 4.619 4.120 -0.000 0.000 0.275 579 V C 0.162 176.214 176.094 -0.070 0.000 1.022 579 V CA -1.140 61.155 62.300 -0.008 0.000 0.830 579 V CB 0.977 32.754 31.823 -0.077 0.000 1.012 579 V HN 0.375 nan 8.190 nan 0.000 0.452 580 Y N 5.671 125.892 120.300 -0.131 0.000 2.442 580 Y HA 0.333 4.883 4.550 0.000 0.000 0.330 580 Y C 0.205 175.986 175.900 -0.198 0.000 1.129 580 Y CA 0.131 58.169 58.100 -0.103 0.000 1.365 580 Y CB 0.214 38.662 38.460 -0.019 0.000 1.233 580 Y HN 0.618 nan 8.280 nan 0.000 0.529 581 H N 5.532 124.366 119.070 -0.393 0.000 2.538 581 H HA 0.195 4.751 4.556 -0.000 0.000 0.353 581 H C -0.863 174.022 175.328 -0.738 0.000 1.109 581 H CA -0.825 54.973 56.048 -0.416 0.000 1.192 581 H CB 1.707 31.414 29.762 -0.091 0.000 1.555 581 H HN 0.723 nan 8.280 nan 0.000 0.518 582 Q N 2.972 122.521 119.800 -0.418 0.000 2.313 582 Q HA 0.114 4.454 4.340 -0.000 0.000 0.266 582 Q C -0.416 175.623 176.000 0.064 0.000 0.989 582 Q CA -0.564 55.121 55.803 -0.198 0.000 0.890 582 Q CB 0.590 29.400 28.738 0.120 0.000 1.200 582 Q HN 0.540 nan 8.270 nan 0.000 0.396 583 K N 3.630 124.051 120.400 0.036 0.000 2.440 583 K HA 0.072 4.392 4.320 -0.000 0.000 0.270 583 K C -0.409 176.251 176.600 0.099 0.000 0.980 583 K CA 0.111 56.399 56.287 0.002 0.000 0.953 583 K CB 0.326 32.849 32.500 0.038 0.000 0.925 583 K HN 0.760 nan 8.250 nan 0.000 0.497 584 H N -2.191 116.847 119.070 -0.054 0.000 3.114 584 H HA 0.149 4.705 4.556 -0.000 0.000 0.325 584 H C -1.425 173.879 175.328 -0.041 0.000 1.206 584 H CA -0.971 55.042 56.048 -0.058 0.000 1.316 584 H CB 0.755 30.396 29.762 -0.201 0.000 1.981 584 H HN 0.356 nan 8.280 nan 0.000 0.527 585 V N 2.318 122.285 119.914 0.089 0.000 3.477 585 V HA 0.178 4.298 4.120 -0.000 0.000 0.297 585 V C -0.392 175.743 176.094 0.070 0.000 1.433 585 V CA 0.130 62.450 62.300 0.033 0.000 1.052 585 V CB 0.238 32.035 31.823 -0.042 0.000 0.895 585 V HN 0.508 nan 8.190 nan 0.000 0.438 586 I N 0.600 121.261 120.570 0.151 0.000 2.418 586 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 586 I C 1.289 177.563 176.117 0.261 0.000 1.008 586 I CA 0.109 61.512 61.300 0.171 0.000 1.104 586 I CB 1.416 39.510 38.000 0.157 0.000 1.264 586 I HN 0.153 nan 8.210 nan 0.000 0.438 587 S N 4.601 120.412 115.700 0.185 0.000 2.441 587 S HA 0.184 4.654 4.470 -0.000 0.000 0.224 587 S C 0.730 175.346 174.600 0.027 0.000 1.043 587 S CA 0.207 58.477 58.200 0.117 0.000 0.948 587 S CB 0.495 63.748 63.200 0.089 0.000 0.810 587 S HN 0.593 nan 8.310 nan 0.000 0.504 588 K N 0.881 121.323 120.400 0.070 0.000 2.565 588 K HA 0.508 4.827 4.320 -0.000 0.000 0.249 588 K C -1.744 174.915 176.600 0.100 0.000 0.958 588 K CA -0.463 55.845 56.287 0.034 0.000 0.806 588 K CB 1.450 33.957 32.500 0.011 0.000 1.194 588 K HN 0.238 nan 8.250 nan 0.000 0.434 589 I N 2.646 123.297 120.570 0.135 0.000 2.354 589 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 589 I C -0.239 175.951 176.117 0.122 0.000 0.989 589 I CA -0.711 60.655 61.300 0.111 0.000 1.188 589 I CB 1.686 39.708 38.000 0.036 0.000 1.342 589 I HN 0.538 nan 8.210 nan 0.000 0.457 590 E N 3.592 123.886 120.200 0.156 0.000 2.212 590 E HA 0.624 4.974 4.350 -0.000 0.000 0.268 590 E C -0.275 176.463 176.600 0.230 0.000 0.902 590 E CA -0.744 55.748 56.400 0.154 0.000 0.779 590 E CB 2.449 32.196 29.700 0.078 0.000 1.172 590 E HN 0.763 nan 8.360 nan 0.000 0.409 591 A N 1.667 124.569 122.820 0.137 0.000 2.454 591 A HA 0.175 4.495 4.320 -0.000 0.000 0.256 591 A C 1.264 178.787 177.584 -0.102 0.000 1.132 591 A CA 0.869 52.872 52.037 -0.057 0.000 0.810 591 A CB -0.111 18.849 19.000 -0.066 0.000 1.083 591 A HN 0.812 nan 8.150 nan 0.000 0.516 592 A N -0.329 122.376 122.820 -0.191 0.000 2.015 592 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 592 A C 1.405 178.951 177.584 -0.064 0.000 1.163 592 A CA 1.791 53.762 52.037 -0.109 0.000 0.646 592 A CB -0.470 18.457 19.000 -0.122 0.000 0.806 592 A HN 0.890 nan 8.150 nan 0.000 0.448 593 D N -1.287 119.075 120.400 -0.063 0.000 2.370 593 D HA 0.235 4.875 4.640 -0.000 0.000 0.230 593 D C 1.100 177.388 176.300 -0.020 0.000 1.143 593 D CA 0.668 54.646 54.000 -0.036 0.000 0.834 593 D CB -0.702 40.077 40.800 -0.035 0.000 0.944 593 D HN 0.587 nan 8.370 nan 0.000 0.504 594 G N 1.171 109.963 108.800 -0.013 0.000 2.205 594 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.269 594 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.269 594 G C 0.469 175.372 174.900 0.005 0.000 0.977 594 G CA 0.267 45.367 45.100 0.000 0.000 0.652 594 G HN 0.484 nan 8.290 nan 0.000 0.539 595 R N -0.326 120.177 120.500 0.003 0.000 2.537 595 R HA 0.371 4.711 4.340 -0.000 0.000 0.280 595 R C 0.584 176.897 176.300 0.021 0.000 1.058 595 R CA -0.348 55.755 56.100 0.007 0.000 1.057 595 R CB 0.960 31.262 30.300 0.004 0.000 0.973 595 R HN 0.053 nan 8.270 nan 0.000 0.438 596 V N 5.298 125.216 119.914 0.006 0.000 2.390 596 V HA -0.064 4.056 4.120 -0.000 0.000 0.260 596 V C 1.259 177.351 176.094 -0.003 0.000 1.043 596 V CA 0.334 62.633 62.300 -0.001 0.000 1.047 596 V CB 0.800 32.605 31.823 -0.030 0.000 1.066 596 V HN 0.716 nan 8.190 nan 0.000 0.481 597 V N 5.267 125.204 119.914 0.037 0.000 2.302 597 V HA -0.047 4.073 4.120 -0.000 0.000 0.243 597 V C 0.466 176.557 176.094 -0.004 0.000 1.036 597 V CA 1.233 63.550 62.300 0.028 0.000 1.020 597 V CB -0.139 31.765 31.823 0.135 0.000 0.657 597 V HN 0.780 nan 8.190 nan 0.000 0.453 598 Y N 0.606 120.850 120.300 -0.092 0.000 2.376 598 Y HA 0.527 5.077 4.550 0.000 0.000 0.340 598 Y C -0.422 175.441 175.900 -0.061 0.000 0.965 598 Y CA -0.841 57.198 58.100 -0.102 0.000 1.078 598 Y CB 1.330 39.717 38.460 -0.121 0.000 1.193 598 Y HN 0.184 nan 8.280 nan 0.000 0.452 599 E N 5.623 125.179 120.200 -1.073 0.000 2.224 599 E HA 0.050 4.400 4.350 -0.000 0.000 0.265 599 E C -1.765 174.194 176.600 -1.068 0.000 0.878 599 E CA -1.148 54.745 56.400 -0.845 0.000 0.759 599 E CB 2.079 31.522 29.700 -0.428 0.000 1.164 599 E HN 0.703 nan 8.360 nan 0.000 0.414 600 Y N 2.517 122.363 120.300 -0.756 0.000 2.802 600 Y HA -0.105 4.445 4.550 -0.000 0.000 0.333 600 Y C -0.287 175.401 175.900 -0.353 0.000 1.244 600 Y CA 0.673 58.488 58.100 -0.476 0.000 1.558 600 Y CB 0.362 38.502 38.460 -0.533 0.000 1.233 600 Y HN 0.433 nan 8.280 nan 0.000 0.547 601 Q N 5.177 124.311 119.800 -1.109 0.000 2.372 601 Q HA 0.170 4.510 4.340 -0.000 0.000 0.259 601 Q C -1.179 174.184 176.000 -1.062 0.000 0.993 601 Q CA -0.717 54.571 55.803 -0.858 0.000 0.854 601 Q CB 0.752 29.235 28.738 -0.425 0.000 1.231 601 Q HN 0.636 nan 8.270 nan 0.000 0.462 602 D N 3.064 123.028 120.400 -0.727 0.000 2.412 602 D HA -0.027 4.613 4.640 -0.000 0.000 0.257 602 D C -0.717 175.518 176.300 -0.110 0.000 1.217 602 D CA 0.325 54.167 54.000 -0.262 0.000 0.897 602 D CB 0.586 41.370 40.800 -0.026 0.000 1.132 602 D HN 0.317 nan 8.370 nan 0.000 0.493 603 K N 5.456 125.857 120.400 0.003 0.000 2.606 603 K HA 0.298 4.618 4.320 -0.000 0.000 0.196 603 K C -2.373 174.315 176.600 0.147 0.000 1.048 603 K CA -1.682 54.642 56.287 0.061 0.000 1.017 603 K CB 1.221 33.746 32.500 0.041 0.000 1.413 603 K HN 0.287 nan 8.250 nan 0.000 0.568 604 P HA 0.005 nan 4.420 nan 0.000 0.265 604 P C -0.322 177.034 177.300 0.092 0.000 1.193 604 P CA -0.140 63.041 63.100 0.134 0.000 0.765 604 P CB 0.837 32.639 31.700 0.169 0.000 0.823 605 V N 3.582 123.551 119.914 0.092 0.000 2.577 605 V HA 0.203 4.323 4.120 -0.000 0.000 0.303 605 V C 0.198 176.319 176.094 0.045 0.000 1.042 605 V CA -0.700 61.648 62.300 0.079 0.000 0.872 605 V CB 1.772 33.663 31.823 0.115 0.000 0.998 605 V HN 0.407 nan 8.190 nan 0.000 0.423 606 Q N 3.066 122.875 119.800 0.016 0.000 2.431 606 Q HA 0.265 4.605 4.340 -0.000 0.000 0.234 606 Q C 0.490 176.469 176.000 -0.034 0.000 1.203 606 Q CA 0.134 55.947 55.803 0.016 0.000 0.902 606 Q CB 0.837 29.589 28.738 0.023 0.000 1.455 606 Q HN 0.653 nan 8.270 nan 0.000 0.515 607 V N 3.817 123.699 119.914 -0.053 0.000 2.244 607 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 607 V C 0.273 176.189 176.094 -0.297 0.000 1.042 607 V CA 1.408 63.572 62.300 -0.227 0.000 1.006 607 V CB -0.528 31.143 31.823 -0.253 0.000 0.641 607 V HN 0.628 nan 8.190 nan 0.000 0.446 608 Y N -0.122 120.267 120.300 0.148 0.000 2.528 608 Y HA 0.528 5.078 4.550 -0.000 0.000 0.335 608 Y C 0.907 176.869 175.900 0.103 0.000 1.093 608 Y CA -0.682 57.526 58.100 0.180 0.000 1.134 608 Y CB 1.052 39.589 38.460 0.128 0.000 1.253 608 Y HN 0.117 nan 8.280 nan 0.000 0.478 609 S N 0.765 116.625 115.700 0.267 0.000 2.633 609 S HA 0.186 4.656 4.470 -0.000 0.000 0.257 609 S C 0.724 175.412 174.600 0.146 0.000 1.265 609 S CA -0.583 57.715 58.200 0.163 0.000 0.980 609 S CB 0.773 64.053 63.200 0.135 0.000 1.017 609 S HN 0.735 nan 8.310 nan 0.000 0.577 610 K N 0.237 120.698 120.400 0.102 0.000 2.137 610 K HA 0.086 4.406 4.320 -0.000 0.000 0.202 610 K C 2.505 179.142 176.600 0.061 0.000 1.052 610 K CA 0.845 57.180 56.287 0.081 0.000 0.961 610 K CB -0.713 31.827 32.500 0.066 0.000 0.741 610 K HN 0.650 nan 8.250 nan 0.000 0.452 611 A N 1.798 124.656 122.820 0.064 0.000 1.869 611 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 611 A C 2.334 179.940 177.584 0.036 0.000 1.203 611 A CA 2.623 54.692 52.037 0.052 0.000 0.638 611 A CB -1.384 17.665 19.000 0.081 0.000 0.831 611 A HN 0.277 nan 8.150 nan 0.000 0.450 612 T N 0.192 114.780 114.554 0.057 0.000 2.607 612 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 612 T C 2.239 176.899 174.700 -0.066 0.000 1.049 612 T CA 2.235 64.344 62.100 0.016 0.000 1.162 612 T CB -0.679 68.244 68.868 0.093 0.000 0.863 612 T HN 0.686 nan 8.240 nan 0.000 0.424 613 A N 1.680 124.479 122.820 -0.034 0.000 1.877 613 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 613 A C 2.638 180.173 177.584 -0.081 0.000 1.186 613 A CA 2.450 54.436 52.037 -0.085 0.000 0.620 613 A CB -1.381 17.628 19.000 0.015 0.000 0.822 613 A HN 0.658 nan 8.150 nan 0.000 0.443 614 T N -1.721 112.814 114.554 -0.032 0.000 2.929 614 T HA -0.044 4.306 4.350 -0.000 0.000 0.271 614 T C 1.755 176.410 174.700 -0.075 0.000 1.085 614 T CA 1.431 63.508 62.100 -0.040 0.000 1.125 614 T CB -0.558 68.305 68.868 -0.008 0.000 0.874 614 T HN 0.372 nan 8.240 nan 0.000 0.494 615 I N 0.330 120.860 120.570 -0.068 0.000 2.233 615 I HA -0.065 4.105 4.170 -0.000 0.000 0.243 615 I C 2.766 178.846 176.117 -0.060 0.000 1.093 615 I CA 0.974 62.248 61.300 -0.043 0.000 1.380 615 I CB -0.351 37.645 38.000 -0.007 0.000 1.067 615 I HN 0.157 nan 8.210 nan 0.000 0.413 616 M N 0.162 119.696 119.600 -0.110 0.000 2.149 616 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 616 M C 2.265 178.472 176.300 -0.154 0.000 1.064 616 M CA 1.829 57.046 55.300 -0.139 0.000 1.102 616 M CB -1.153 31.318 32.600 -0.215 0.000 1.369 616 M HN 0.328 nan 8.290 nan 0.000 0.408 617 Q N -0.504 119.175 119.800 -0.203 0.000 2.061 617 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 617 Q C 2.194 178.072 176.000 -0.203 0.000 0.984 617 Q CA 1.659 57.266 55.803 -0.326 0.000 0.846 617 Q CB -0.506 27.956 28.738 -0.460 0.000 0.902 617 Q HN 0.683 nan 8.270 nan 0.000 0.421 618 G N 0.554 109.296 108.800 -0.096 0.000 2.408 618 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 618 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 618 G C 1.366 176.272 174.900 0.010 0.000 1.150 618 G CA 0.555 45.651 45.100 -0.007 0.000 0.776 618 G HN 0.167 nan 8.290 nan 0.000 0.542 619 L N -0.055 121.161 121.223 -0.011 0.000 2.017 619 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 619 L C 2.785 179.651 176.870 -0.006 0.000 1.073 619 L CA 0.709 55.541 54.840 -0.014 0.000 0.745 619 L CB -0.413 41.621 42.059 -0.041 0.000 0.894 619 L HN 0.141 nan 8.230 nan 0.000 0.432 620 L N -0.715 120.494 121.223 -0.023 0.000 2.291 620 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 620 L C 2.769 179.653 176.870 0.023 0.000 1.120 620 L CA 0.612 55.456 54.840 0.007 0.000 0.799 620 L CB -0.476 41.584 42.059 0.002 0.000 0.925 620 L HN 0.270 nan 8.230 nan 0.000 0.446 621 R N 0.412 120.918 120.500 0.011 0.000 2.081 621 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 621 R C 2.043 178.386 176.300 0.071 0.000 1.131 621 R CA 1.285 57.424 56.100 0.065 0.000 0.960 621 R CB 0.100 30.443 30.300 0.072 0.000 0.856 621 R HN 0.262 nan 8.270 nan 0.000 0.436 622 E N 0.192 120.422 120.200 0.050 0.000 2.204 622 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 622 E C 2.044 178.666 176.600 0.037 0.000 0.989 622 E CA 0.717 57.144 56.400 0.045 0.000 0.824 622 E CB -0.157 29.566 29.700 0.038 0.000 0.756 622 E HN 0.192 nan 8.360 nan 0.000 0.477 623 V N 1.371 121.307 119.914 0.036 0.000 2.332 623 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 623 V C 2.392 178.501 176.094 0.024 0.000 1.055 623 V CA 1.504 63.821 62.300 0.028 0.000 1.038 623 V CB -0.470 31.377 31.823 0.040 0.000 0.651 623 V HN 0.221 nan 8.190 nan 0.000 0.450 624 L N -1.035 120.216 121.223 0.048 0.000 2.127 624 L HA -0.048 4.292 4.340 -0.000 0.000 0.203 624 L C 2.641 179.540 176.870 0.050 0.000 1.080 624 L CA 1.142 56.019 54.840 0.062 0.000 0.768 624 L CB -0.610 41.520 42.059 0.118 0.000 0.924 624 L HN 0.245 nan 8.230 nan 0.000 0.444 625 S N 0.134 115.866 115.700 0.055 0.000 2.359 625 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 625 S C 2.180 176.788 174.600 0.013 0.000 1.035 625 S CA 1.830 60.052 58.200 0.036 0.000 1.018 625 S CB -0.243 62.985 63.200 0.046 0.000 0.876 625 S HN 0.601 nan 8.310 nan 0.000 0.448 626 S N 0.564 116.269 115.700 0.008 0.000 2.447 626 S HA 0.000 4.470 4.470 -0.000 0.000 0.233 626 S C 0.891 175.476 174.600 -0.025 0.000 1.006 626 S CA 0.890 59.086 58.200 -0.007 0.000 0.957 626 S CB -0.320 62.873 63.200 -0.011 0.000 0.773 626 S HN 0.446 nan 8.310 nan 0.000 0.507 627 R N -0.915 119.572 120.500 -0.022 0.000 3.875 627 R HA -0.129 4.211 4.340 -0.000 0.000 0.321 627 R C 0.779 177.092 176.300 0.022 0.000 1.196 627 R CA 0.612 56.703 56.100 -0.015 0.000 0.868 627 R CB -2.457 27.830 30.300 -0.021 0.000 1.333 627 R HN 0.421 nan 8.270 nan 0.000 0.522 628 V N -0.714 119.165 119.914 -0.059 0.000 2.307 628 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 628 V C 2.152 178.252 176.094 0.011 0.000 1.045 628 V CA 2.403 64.615 62.300 -0.147 0.000 1.024 628 V CB -0.267 31.233 31.823 -0.538 0.000 0.651 628 V HN 0.663 nan 8.190 nan 0.000 0.449 629 T N -4.433 110.143 114.554 0.037 0.000 3.044 629 T HA 0.234 4.584 4.350 -0.000 0.000 0.260 629 T C 0.455 175.276 174.700 0.202 0.000 1.019 629 T CA 0.528 62.701 62.100 0.121 0.000 0.921 629 T CB 0.439 69.325 68.868 0.030 0.000 1.053 629 T HN 0.419 nan 8.240 nan 0.000 0.533 630 T N 0.915 115.525 114.554 0.093 0.000 3.097 630 T HA 0.385 4.735 4.350 -0.000 0.000 0.332 630 T C 0.636 175.184 174.700 -0.252 0.000 1.269 630 T CA 0.126 62.159 62.100 -0.113 0.000 1.076 630 T CB 1.646 70.484 68.868 -0.050 0.000 1.209 630 T HN 0.144 nan 8.240 nan 0.000 0.474 631 T N 2.247 116.505 114.554 -0.493 0.000 3.194 631 T HA 0.095 4.445 4.350 -0.000 0.000 0.251 631 T C 1.608 176.166 174.700 -0.237 0.000 1.132 631 T CA 0.346 62.214 62.100 -0.386 0.000 1.028 631 T CB -0.707 67.861 68.868 -0.499 0.000 0.976 631 T HN 0.592 nan 8.240 nan 0.000 0.535 632 F N 2.939 122.712 119.950 -0.295 0.000 2.065 632 F HA -0.130 4.396 4.527 -0.000 0.000 0.298 632 F C 2.180 177.779 175.800 -0.336 0.000 1.112 632 F CA 1.486 59.298 58.000 -0.313 0.000 1.212 632 F CB -0.183 38.625 39.000 -0.320 0.000 0.975 632 F HN -0.009 nan 8.300 nan 0.000 0.476 633 K N 0.375 120.548 120.400 -0.378 0.000 2.103 633 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 633 K C 2.219 178.567 176.600 -0.420 0.000 1.048 633 K CA 1.610 57.613 56.287 -0.473 0.000 0.930 633 K CB -0.798 31.589 32.500 -0.189 0.000 0.716 633 K HN 0.321 nan 8.250 nan 0.000 0.444 634 S N 1.606 117.121 115.700 -0.308 0.000 2.383 634 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 634 S C 1.647 176.067 174.600 -0.301 0.000 1.026 634 S CA 0.948 58.996 58.200 -0.253 0.000 0.981 634 S CB -0.208 62.875 63.200 -0.194 0.000 0.818 634 S HN 0.309 nan 8.310 nan 0.000 0.472 635 N N 1.457 119.933 118.700 -0.374 0.000 2.120 635 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 635 N C 1.650 176.869 175.510 -0.485 0.000 1.024 635 N CA 0.861 53.677 53.050 -0.389 0.000 0.852 635 N CB -0.474 37.788 38.487 -0.376 0.000 1.003 635 N HN 0.280 nan 8.380 nan 0.000 0.424 636 L N 1.225 122.053 121.223 -0.657 0.000 2.209 636 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 636 L C 1.930 178.538 176.870 -0.438 0.000 1.094 636 L CA 1.408 55.842 54.840 -0.677 0.000 0.790 636 L CB -1.001 40.418 42.059 -1.067 0.000 0.932 636 L HN 0.015 nan 8.230 nan 0.000 0.447 637 T N -0.749 113.585 114.554 -0.367 0.000 2.665 637 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 637 T C 1.912 176.493 174.700 -0.198 0.000 1.035 637 T CA 1.946 63.909 62.100 -0.229 0.000 1.151 637 T CB -0.368 68.391 68.868 -0.181 0.000 0.862 637 T HN 0.395 nan 8.240 nan 0.000 0.438 638 S N 0.892 116.461 115.700 -0.218 0.000 2.436 638 S HA 0.155 4.624 4.470 -0.000 0.000 0.228 638 S C 1.977 176.464 174.600 -0.188 0.000 1.014 638 S CA 0.559 58.653 58.200 -0.177 0.000 0.950 638 S CB -0.248 62.851 63.200 -0.168 0.000 0.784 638 S HN 0.371 nan 8.310 nan 0.000 0.504 639 L N 0.492 121.560 121.223 -0.258 0.000 2.127 639 L HA 0.199 4.539 4.340 -0.000 0.000 0.203 639 L C 0.952 177.711 176.870 -0.185 0.000 1.080 639 L CA 0.678 55.362 54.840 -0.260 0.000 0.768 639 L CB -0.171 41.642 42.059 -0.410 0.000 0.924 639 L HN 0.232 nan 8.230 nan 0.000 0.444 640 N N -0.467 118.122 118.700 -0.185 0.000 2.751 640 N HA 0.139 4.879 4.740 -0.000 0.000 0.238 640 N C -2.237 173.209 175.510 -0.107 0.000 1.351 640 N CA -0.923 52.055 53.050 -0.119 0.000 0.751 640 N CB 1.408 39.832 38.487 -0.105 0.000 1.342 640 N HN -0.229 nan 8.380 nan 0.000 0.540 641 P HA -0.112 nan 4.420 nan 0.000 0.218 641 P C 1.007 178.282 177.300 -0.042 0.000 1.148 641 P CA 1.336 64.392 63.100 -0.074 0.000 0.822 641 P CB 0.225 31.889 31.700 -0.061 0.000 0.784 642 T N 0.257 114.795 114.554 -0.027 0.000 2.821 642 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 642 T C 1.734 176.442 174.700 0.013 0.000 1.046 642 T CA 0.785 62.881 62.100 -0.005 0.000 1.139 642 T CB -0.779 68.088 68.868 -0.000 0.000 0.871 642 T HN 0.009 nan 8.240 nan 0.000 0.454 643 L N 1.604 122.836 121.223 0.015 0.000 2.156 643 L HA 0.263 4.603 4.340 -0.000 0.000 0.208 643 L C 2.568 179.542 176.870 0.174 0.000 1.095 643 L CA 1.322 56.201 54.840 0.066 0.000 0.770 643 L CB -1.011 41.076 42.059 0.045 0.000 0.914 643 L HN 0.220 nan 8.230 nan 0.000 0.439 644 A N -0.462 122.387 122.820 0.049 0.000 2.076 644 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 644 A C 1.883 179.555 177.584 0.146 0.000 1.160 644 A CA 1.816 53.873 52.037 0.032 0.000 0.653 644 A CB -0.696 18.227 19.000 -0.128 0.000 0.801 644 A HN 0.616 nan 8.150 nan 0.000 0.455 645 N N 0.084 118.839 118.700 0.091 0.000 2.422 645 N HA 0.178 4.918 4.740 -0.000 0.000 0.181 645 N C 0.870 176.402 175.510 0.036 0.000 1.080 645 N CA 0.729 53.817 53.050 0.064 0.000 0.893 645 N CB -0.491 38.010 38.487 0.024 0.000 0.973 645 N HN 0.492 nan 8.380 nan 0.000 0.456 646 A N 0.864 123.681 122.820 -0.005 0.000 2.567 646 A HA -0.087 4.233 4.320 -0.000 0.000 0.236 646 A C 0.297 177.749 177.584 -0.220 0.000 1.088 646 A CA 0.237 52.155 52.037 -0.199 0.000 0.776 646 A CB 0.010 18.753 19.000 -0.429 0.000 1.033 646 A HN 0.095 nan 8.150 nan 0.000 0.513 647 D N 0.680 120.914 120.400 -0.277 0.000 2.522 647 D HA 0.319 4.959 4.640 -0.000 0.000 0.218 647 D C -1.092 175.230 176.300 0.035 0.000 1.149 647 D CA -0.058 53.910 54.000 -0.053 0.000 0.981 647 D CB -0.325 40.469 40.800 -0.011 0.000 1.041 647 D HN 0.376 nan 8.370 nan 0.000 0.518 648 W N 4.432 125.837 121.300 0.174 0.000 2.311 648 W HA 0.335 4.995 4.660 0.000 0.000 0.310 648 W C 0.793 177.415 176.519 0.172 0.000 1.274 648 W CA -0.899 56.558 57.345 0.187 0.000 1.215 648 W CB 0.468 30.020 29.460 0.155 0.000 1.227 648 W HN 0.197 nan 8.180 nan 0.000 0.523 649 I N 1.488 122.302 120.570 0.407 0.000 2.797 649 I HA 1.075 5.245 4.170 -0.000 0.000 0.307 649 I C 0.222 176.442 176.117 0.170 0.000 1.033 649 I CA -0.892 60.517 61.300 0.182 0.000 1.071 649 I CB 2.317 40.272 38.000 -0.075 0.000 1.255 649 I HN 0.534 nan 8.210 nan 0.000 0.445 650 G N 2.418 111.276 108.800 0.097 0.000 2.349 650 G HA2 0.518 4.478 3.960 -0.000 0.000 0.294 650 G HA3 0.518 4.478 3.960 -0.000 0.000 0.294 650 G C -2.204 172.718 174.900 0.037 0.000 1.380 650 G CA -0.775 44.350 45.100 0.043 0.000 0.811 650 G HN 0.826 nan 8.290 nan 0.000 0.519 651 K N -0.510 119.867 120.400 -0.037 0.000 2.562 651 K HA 0.757 5.077 4.320 -0.000 0.000 0.267 651 K C -0.295 176.286 176.600 -0.031 0.000 0.938 651 K CA -0.103 56.189 56.287 0.007 0.000 0.840 651 K CB 1.645 34.223 32.500 0.130 0.000 1.390 651 K HN 1.064 nan 8.250 nan 0.000 0.428 652 T N -0.699 113.872 114.554 0.028 0.000 2.950 652 T HA 0.917 5.267 4.350 -0.000 0.000 0.288 652 T C 0.041 174.803 174.700 0.103 0.000 1.035 652 T CA -0.802 61.336 62.100 0.062 0.000 1.028 652 T CB 1.846 70.746 68.868 0.053 0.000 1.109 652 T HN 0.651 nan 8.240 nan 0.000 0.514 653 G N -0.083 108.815 108.800 0.164 0.000 2.733 653 G HA2 0.584 4.544 3.960 -0.000 0.000 0.297 653 G HA3 0.584 4.544 3.960 -0.000 0.000 0.297 653 G C -1.331 173.688 174.900 0.199 0.000 1.422 653 G CA -0.790 44.402 45.100 0.153 0.000 0.942 653 G HN 0.812 nan 8.290 nan 0.000 0.510 654 T N 1.048 115.677 114.554 0.124 0.000 2.879 654 T HA 0.602 4.951 4.350 -0.000 0.000 0.290 654 T C 0.486 175.235 174.700 0.082 0.000 0.993 654 T CA -0.452 61.702 62.100 0.089 0.000 0.975 654 T CB 1.437 70.314 68.868 0.015 0.000 0.981 654 T HN 0.938 nan 8.240 nan 0.000 0.439 655 T N 0.211 114.829 114.554 0.106 0.000 2.868 655 T HA 0.245 4.595 4.350 -0.000 0.000 0.292 655 T C 0.647 175.369 174.700 0.038 0.000 1.028 655 T CA -0.969 61.180 62.100 0.083 0.000 1.059 655 T CB 0.273 69.212 68.868 0.119 0.000 0.991 655 T HN 0.668 nan 8.240 nan 0.000 0.531 656 N N 1.931 120.648 118.700 0.028 0.000 3.245 656 N HA 0.106 4.846 4.740 -0.000 0.000 0.296 656 N C -0.122 175.390 175.510 0.003 0.000 1.254 656 N CA -0.702 52.353 53.050 0.008 0.000 1.190 656 N CB 0.139 38.633 38.487 0.011 0.000 1.460 656 N HN 0.598 nan 8.380 nan 0.000 0.538 657 Q N 0.526 120.326 119.800 -0.000 0.000 1.276 657 Q HA -0.050 4.290 4.340 -0.000 0.000 0.120 657 Q C -0.866 175.135 176.000 0.003 0.000 0.712 657 Q CA -0.102 55.705 55.803 0.006 0.000 0.583 657 Q CB -0.334 28.418 28.738 0.023 0.000 1.032 657 Q HN 0.543 nan 8.270 nan 0.000 0.318 658 D N 0.250 120.645 120.400 -0.008 0.000 3.068 658 D HA -0.157 4.482 4.640 -0.000 0.000 0.218 658 D C 0.723 176.999 176.300 -0.039 0.000 1.145 658 D CA 1.592 55.575 54.000 -0.029 0.000 0.896 658 D CB -0.908 39.870 40.800 -0.038 0.000 1.105 658 D HN 0.484 nan 8.370 nan 0.000 0.423 659 E N -0.338 119.860 120.200 -0.004 0.000 2.158 659 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 659 E C 0.469 177.044 176.600 -0.042 0.000 0.982 659 E CA 0.660 57.056 56.400 -0.007 0.000 0.823 659 E CB 0.250 29.983 29.700 0.055 0.000 0.766 659 E HN 0.329 nan 8.360 nan 0.000 0.468 660 N N 0.272 118.979 118.700 0.012 0.000 2.260 660 N HA 0.269 5.009 4.740 -0.000 0.000 0.293 660 N C -1.028 174.471 175.510 -0.018 0.000 1.058 660 N CA -0.367 52.678 53.050 -0.007 0.000 0.824 660 N CB 1.818 40.520 38.487 0.358 0.000 1.551 660 N HN -0.092 nan 8.380 nan 0.000 0.475 661 M N 1.098 120.546 119.600 -0.253 0.000 2.456 661 M HA 0.468 4.947 4.480 -0.000 0.000 0.324 661 M C -1.180 175.010 176.300 -0.184 0.000 1.124 661 M CA -0.281 54.945 55.300 -0.124 0.000 0.959 661 M CB 1.499 33.972 32.600 -0.212 0.000 1.692 661 M HN 0.452 nan 8.290 nan 0.000 0.444 662 W N 2.999 124.281 121.300 -0.030 0.000 2.819 662 W HA 0.714 5.374 4.660 -0.000 0.000 0.337 662 W C -1.199 175.292 176.519 -0.047 0.000 1.077 662 W CA -0.607 56.744 57.345 0.010 0.000 1.226 662 W CB 1.403 30.908 29.460 0.076 0.000 1.419 662 W HN 0.465 nan 8.180 nan 0.000 0.502 663 L N 4.583 125.900 121.223 0.157 0.000 2.482 663 L HA 0.581 4.921 4.340 -0.000 0.000 0.269 663 L C -1.390 175.453 176.870 -0.045 0.000 0.967 663 L CA -0.891 53.950 54.840 0.001 0.000 0.851 663 L CB 1.002 43.006 42.059 -0.092 0.000 1.242 663 L HN 0.247 nan 8.230 nan 0.000 0.404 664 M N 6.541 126.051 119.600 -0.151 0.000 2.227 664 M HA 0.549 5.029 4.480 -0.000 0.000 0.335 664 M C -1.070 175.116 176.300 -0.191 0.000 1.053 664 M CA -0.353 54.795 55.300 -0.254 0.000 0.973 664 M CB 1.422 33.539 32.600 -0.805 0.000 1.623 664 M HN 0.471 nan 8.290 nan 0.000 0.434 665 L N 1.941 123.128 121.223 -0.060 0.000 2.385 665 L HA 0.699 5.039 4.340 -0.000 0.000 0.273 665 L C -0.371 176.686 176.870 0.311 0.000 0.990 665 L CA -0.387 54.487 54.840 0.058 0.000 0.821 665 L CB 2.346 44.352 42.059 -0.088 0.000 1.279 665 L HN 0.679 nan 8.230 nan 0.000 0.412 666 S N 0.143 116.090 115.700 0.412 0.000 2.547 666 S HA 0.615 5.085 4.470 -0.000 0.000 0.281 666 S C -0.235 174.621 174.600 0.426 0.000 1.118 666 S CA -0.811 57.666 58.200 0.461 0.000 0.947 666 S CB 2.152 65.625 63.200 0.455 0.000 1.053 666 S HN 0.710 nan 8.310 nan 0.000 0.482 667 T N -0.321 114.333 114.554 0.166 0.000 2.881 667 T HA 0.462 4.812 4.350 -0.000 0.000 0.278 667 T C -2.259 172.335 174.700 -0.176 0.000 0.982 667 T CA -2.034 59.988 62.100 -0.130 0.000 0.989 667 T CB 0.475 69.132 68.868 -0.353 0.000 1.058 667 T HN 0.151 nan 8.240 nan 0.000 0.529 668 P HA -0.057 nan 4.420 nan 0.000 0.217 668 P C 1.503 178.707 177.300 -0.160 0.000 1.148 668 P CA 1.075 63.787 63.100 -0.647 0.000 0.828 668 P CB 0.114 31.390 31.700 -0.707 0.000 0.783 669 R N -1.580 118.853 120.500 -0.111 0.000 2.066 669 R HA 0.152 4.492 4.340 -0.000 0.000 0.224 669 R C 0.899 177.195 176.300 -0.006 0.000 1.122 669 R CA 0.708 56.779 56.100 -0.049 0.000 0.974 669 R CB -0.289 29.969 30.300 -0.071 0.000 0.871 669 R HN 0.200 nan 8.270 nan 0.000 0.435 670 L N -0.767 120.480 121.223 0.039 0.000 2.279 670 L HA 0.498 4.837 4.340 -0.000 0.000 0.262 670 L C -0.507 176.511 176.870 0.246 0.000 1.019 670 L CA -0.866 54.001 54.840 0.045 0.000 0.823 670 L CB 2.350 44.256 42.059 -0.255 0.000 1.358 670 L HN -0.144 nan 8.230 nan 0.000 0.432 671 T N 1.993 116.686 114.554 0.231 0.000 3.109 671 T HA 0.472 4.822 4.350 -0.000 0.000 0.311 671 T C -1.398 173.463 174.700 0.268 0.000 1.011 671 T CA -0.301 61.974 62.100 0.292 0.000 1.026 671 T CB 1.723 70.733 68.868 0.236 0.000 1.047 671 T HN 0.283 nan 8.240 nan 0.000 0.448 672 L N 3.584 125.004 121.223 0.328 0.000 2.325 672 L HA 0.847 5.187 4.340 -0.000 0.000 0.281 672 L C 0.274 177.242 176.870 0.163 0.000 1.004 672 L CA 0.016 55.015 54.840 0.266 0.000 0.823 672 L CB 1.079 43.375 42.059 0.395 0.000 1.236 672 L HN 0.715 nan 8.230 nan 0.000 0.415 673 G N 2.623 111.512 108.800 0.147 0.000 2.400 673 G HA2 0.625 4.585 3.960 -0.000 0.000 0.301 673 G HA3 0.625 4.585 3.960 -0.000 0.000 0.301 673 G C -0.592 174.398 174.900 0.150 0.000 1.154 673 G CA -0.212 44.980 45.100 0.154 0.000 0.852 673 G HN 0.993 nan 8.290 nan 0.000 0.511 674 G N -0.468 108.428 108.800 0.160 0.000 2.740 674 G HA2 0.488 4.448 3.960 -0.000 0.000 0.296 674 G HA3 0.488 4.448 3.960 -0.000 0.000 0.296 674 G C -1.871 173.012 174.900 -0.028 0.000 1.439 674 G CA -0.726 44.425 45.100 0.086 0.000 1.066 674 G HN 0.762 nan 8.290 nan 0.000 0.527 675 W N 5.038 126.081 121.300 -0.428 0.000 2.702 675 W HA 0.759 5.419 4.660 -0.000 0.000 0.331 675 W C -0.494 175.730 176.519 -0.492 0.000 1.049 675 W CA -1.186 55.680 57.345 -0.798 0.000 1.230 675 W CB 1.313 29.985 29.460 -1.314 0.000 1.408 675 W HN 0.630 nan 8.180 nan 0.000 0.492 676 I N 4.051 123.731 120.570 -1.483 0.000 2.797 676 I HA 1.072 5.242 4.170 -0.000 0.000 0.307 676 I C 0.174 174.968 176.117 -2.206 0.000 1.033 676 I CA -0.871 59.419 61.300 -1.683 0.000 1.071 676 I CB 2.049 39.512 38.000 -0.894 0.000 1.255 676 I HN 0.766 nan 8.210 nan 0.000 0.445 677 G N 1.830 109.589 108.800 -1.735 0.000 2.317 677 G HA2 0.284 4.244 3.960 -0.000 0.000 0.293 677 G HA3 0.284 4.244 3.960 -0.000 0.000 0.293 677 G C -2.090 172.444 174.900 -0.610 0.000 1.287 677 G CA -0.956 43.566 45.100 -0.962 0.000 0.850 677 G HN 0.870 nan 8.290 nan 0.000 0.515 678 H N 0.194 119.218 119.070 -0.076 0.000 2.457 678 H HA 0.363 4.919 4.556 -0.000 0.000 0.335 678 H C 0.363 175.807 175.328 0.192 0.000 1.115 678 H CA -0.740 55.315 56.048 0.011 0.000 1.219 678 H CB 1.949 31.614 29.762 -0.162 0.000 1.471 678 H HN 0.380 nan 8.280 nan 0.000 0.491 679 D N 1.176 121.784 120.400 0.347 0.000 2.182 679 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 679 D C 1.176 177.607 176.300 0.218 0.000 0.986 679 D CA 1.297 55.469 54.000 0.286 0.000 0.847 679 D CB -0.053 40.892 40.800 0.241 0.000 0.942 679 D HN 0.707 nan 8.370 nan 0.000 0.467 680 D N -0.109 120.432 120.400 0.234 0.000 2.413 680 D HA -0.062 4.578 4.640 -0.000 0.000 0.237 680 D C -0.471 175.963 176.300 0.224 0.000 1.171 680 D CA -0.467 53.651 54.000 0.196 0.000 0.839 680 D CB -1.373 39.525 40.800 0.163 0.000 0.950 680 D HN -0.058 nan 8.370 nan 0.000 0.499 681 N N 0.848 119.682 118.700 0.223 0.000 2.684 681 N HA -0.275 4.465 4.740 -0.000 0.000 0.284 681 N C -0.992 174.643 175.510 0.209 0.000 1.067 681 N CA 1.118 54.282 53.050 0.189 0.000 0.791 681 N CB -0.971 37.602 38.487 0.143 0.000 0.934 681 N HN 0.766 nan 8.380 nan 0.000 0.566 682 H N -2.282 116.884 119.070 0.160 0.000 2.928 682 H HA 0.668 5.224 4.556 -0.000 0.000 0.371 682 H C -0.292 175.144 175.328 0.180 0.000 1.186 682 H CA -0.907 55.205 56.048 0.108 0.000 1.134 682 H CB 0.741 30.513 29.762 0.016 0.000 1.824 682 H HN -0.010 nan 8.280 nan 0.000 0.554 683 S N 0.997 116.756 115.700 0.098 0.000 2.561 683 S HA 0.056 4.526 4.470 -0.000 0.000 0.294 683 S C 0.192 174.788 174.600 -0.007 0.000 1.294 683 S CA -0.122 58.100 58.200 0.038 0.000 1.055 683 S CB -0.146 63.103 63.200 0.083 0.000 0.819 683 S HN 0.411 nan 8.310 nan 0.000 0.503 684 L N 1.897 123.087 121.223 -0.055 0.000 2.416 684 L HA 0.396 4.736 4.340 -0.000 0.000 0.263 684 L C 0.969 177.822 176.870 -0.028 0.000 1.065 684 L CA -0.761 54.037 54.840 -0.071 0.000 0.798 684 L CB 0.623 42.551 42.059 -0.218 0.000 1.267 684 L HN 0.753 nan 8.230 nan 0.000 0.467 685 S N -0.773 114.910 115.700 -0.028 0.000 2.572 685 S HA -0.084 4.386 4.470 -0.000 0.000 0.267 685 S C 0.715 175.292 174.600 -0.038 0.000 1.361 685 S CA -0.090 58.097 58.200 -0.023 0.000 1.009 685 S CB 0.617 63.806 63.200 -0.018 0.000 0.888 685 S HN 0.735 nan 8.310 nan 0.000 0.553 686 Q N 0.341 120.122 119.800 -0.031 0.000 2.096 686 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 686 Q C 1.061 177.040 176.000 -0.035 0.000 0.982 686 Q CA 1.390 57.167 55.803 -0.043 0.000 0.850 686 Q CB -0.104 28.605 28.738 -0.048 0.000 0.901 686 Q HN 0.773 nan 8.270 nan 0.000 0.422 687 Q N -0.946 118.849 119.800 -0.008 0.000 2.212 687 Q HA 0.205 4.545 4.340 -0.000 0.000 0.213 687 Q C 1.090 177.106 176.000 0.027 0.000 0.874 687 Q CA 0.488 56.324 55.803 0.054 0.000 0.965 687 Q CB 0.818 29.629 28.738 0.121 0.000 1.074 687 Q HN 0.391 nan 8.270 nan 0.000 0.473 688 A N 0.747 123.547 122.820 -0.034 0.000 1.908 688 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 688 A C 2.091 179.618 177.584 -0.095 0.000 1.181 688 A CA 1.904 53.886 52.037 -0.091 0.000 0.627 688 A CB -0.604 18.308 19.000 -0.147 0.000 0.818 688 A HN 0.460 nan 8.150 nan 0.000 0.445 689 G N -2.223 106.544 108.800 -0.056 0.000 2.417 689 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.212 689 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.212 689 G C 1.494 176.398 174.900 0.008 0.000 1.187 689 G CA 0.925 46.001 45.100 -0.040 0.000 0.804 689 G HN 0.492 nan 8.290 nan 0.000 0.534 690 Y N 1.650 121.908 120.300 -0.071 0.000 2.062 690 Y HA -0.251 4.299 4.550 -0.000 0.000 0.276 690 Y C 2.924 178.792 175.900 -0.053 0.000 1.189 690 Y CA 2.504 60.567 58.100 -0.062 0.000 1.130 690 Y CB -0.138 38.281 38.460 -0.068 0.000 0.959 690 Y HN 0.267 nan 8.280 nan 0.000 0.499 691 S N -2.002 113.613 115.700 -0.141 0.000 3.039 691 S HA 0.072 4.541 4.470 -0.000 0.000 0.251 691 S C 1.480 176.009 174.600 -0.119 0.000 1.064 691 S CA 0.458 58.534 58.200 -0.206 0.000 0.822 691 S CB -0.558 62.597 63.200 -0.074 0.000 0.802 691 S HN 0.542 nan 8.310 nan 0.000 0.519 692 N N 2.307 120.958 118.700 -0.081 0.000 2.080 692 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 692 N C 1.657 177.126 175.510 -0.069 0.000 1.036 692 N CA 1.624 54.620 53.050 -0.091 0.000 0.846 692 N CB -0.333 38.086 38.487 -0.113 0.000 1.015 692 N HN 0.431 nan 8.380 nan 0.000 0.423 693 N N 0.248 118.899 118.700 -0.082 0.000 2.142 693 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 693 N C 1.284 176.818 175.510 0.039 0.000 1.023 693 N CA 1.127 54.158 53.050 -0.032 0.000 0.852 693 N CB -0.165 38.252 38.487 -0.116 0.000 0.998 693 N HN 0.051 nan 8.380 nan 0.000 0.424 694 S N 0.029 115.717 115.700 -0.020 0.000 2.387 694 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 694 S C 1.668 176.283 174.600 0.026 0.000 1.035 694 S CA 1.489 59.693 58.200 0.006 0.000 1.014 694 S CB -0.583 62.569 63.200 -0.081 0.000 0.836 694 S HN 0.564 nan 8.310 nan 0.000 0.466 695 N N 0.467 119.157 118.700 -0.017 0.000 2.290 695 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 695 N C 1.554 177.124 175.510 0.100 0.000 1.016 695 N CA 0.973 54.014 53.050 -0.015 0.000 0.871 695 N CB -0.505 37.958 38.487 -0.040 0.000 0.987 695 N HN 0.480 nan 8.380 nan 0.000 0.431 696 Y N 1.078 121.352 120.300 -0.043 0.000 2.114 696 Y HA -0.101 4.449 4.550 -0.000 0.000 0.284 696 Y C 2.161 178.073 175.900 0.019 0.000 1.143 696 Y CA 1.980 60.049 58.100 -0.052 0.000 1.135 696 Y CB -0.462 37.931 38.460 -0.113 0.000 0.980 696 Y HN 0.035 nan 8.280 nan 0.000 0.499 697 M N -0.036 119.439 119.600 -0.207 0.000 2.195 697 M HA -0.246 4.234 4.480 -0.000 0.000 0.260 697 M C 2.298 178.540 176.300 -0.097 0.000 1.066 697 M CA 1.741 56.906 55.300 -0.226 0.000 1.089 697 M CB -0.513 32.039 32.600 -0.079 0.000 1.377 697 M HN 0.549 nan 8.290 nan 0.000 0.411 698 A N -1.030 121.754 122.820 -0.059 0.000 1.975 698 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 698 A C 1.739 179.139 177.584 -0.307 0.000 1.170 698 A CA 0.874 52.782 52.037 -0.215 0.000 0.656 698 A CB -0.823 17.903 19.000 -0.456 0.000 0.821 698 A HN 0.486 nan 8.150 nan 0.000 0.449 699 H N -1.206 117.656 119.070 -0.346 0.000 2.428 699 H HA -0.062 4.493 4.556 -0.000 0.000 0.296 699 H C 2.052 177.224 175.328 -0.261 0.000 1.062 699 H CA 1.507 57.314 56.048 -0.401 0.000 1.350 699 H CB 0.001 29.349 29.762 -0.689 0.000 1.403 699 H HN 0.427 nan 8.280 nan 0.000 0.533 700 L N 0.717 121.818 121.223 -0.202 0.000 2.027 700 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 700 L C 2.421 179.322 176.870 0.052 0.000 1.074 700 L CA 1.086 55.840 54.840 -0.143 0.000 0.745 700 L CB -0.725 41.131 42.059 -0.338 0.000 0.898 700 L HN -0.075 nan 8.230 nan 0.000 0.433 701 V N 0.464 120.425 119.914 0.078 0.000 2.380 701 V HA -0.341 3.779 4.120 -0.000 0.000 0.251 701 V C 2.426 178.670 176.094 0.249 0.000 1.063 701 V CA 2.097 64.543 62.300 0.242 0.000 1.055 701 V CB -0.921 30.876 31.823 -0.044 0.000 0.657 701 V HN 0.676 nan 8.190 nan 0.000 0.455 702 N N 0.215 118.950 118.700 0.058 0.000 2.132 702 N HA -0.061 4.679 4.740 -0.000 0.000 0.187 702 N C 1.846 177.422 175.510 0.110 0.000 1.038 702 N CA 1.538 54.612 53.050 0.041 0.000 0.846 702 N CB -0.455 37.969 38.487 -0.105 0.000 1.012 702 N HN 0.299 nan 8.380 nan 0.000 0.429 703 A N 0.986 123.865 122.820 0.099 0.000 1.944 703 A HA -0.254 4.066 4.320 -0.000 0.000 0.222 703 A C 2.313 179.982 177.584 0.143 0.000 1.237 703 A CA 2.091 54.205 52.037 0.127 0.000 0.668 703 A CB -1.373 17.710 19.000 0.138 0.000 0.830 703 A HN 0.492 nan 8.150 nan 0.000 0.471 704 I N -1.132 119.561 120.570 0.204 0.000 2.286 704 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 704 I C 2.823 179.053 176.117 0.189 0.000 1.115 704 I CA 1.692 63.109 61.300 0.194 0.000 1.392 704 I CB -0.326 37.831 38.000 0.261 0.000 1.065 704 I HN 0.463 nan 8.210 nan 0.000 0.418 705 Q N 0.441 120.438 119.800 0.328 0.000 2.123 705 Q HA -0.200 4.140 4.340 -0.000 0.000 0.199 705 Q C 2.158 178.252 176.000 0.155 0.000 0.966 705 Q CA 1.211 57.195 55.803 0.300 0.000 0.845 705 Q CB 0.050 29.007 28.738 0.365 0.000 0.907 705 Q HN 0.416 nan 8.270 nan 0.000 0.439 706 Q N -0.490 119.384 119.800 0.124 0.000 2.297 706 Q HA -0.047 4.292 4.340 -0.000 0.000 0.208 706 Q C 1.276 177.312 176.000 0.059 0.000 0.981 706 Q CA 1.356 57.207 55.803 0.080 0.000 0.876 706 Q CB -0.188 28.594 28.738 0.074 0.000 0.921 706 Q HN 0.404 nan 8.270 nan 0.000 0.446 707 A N -1.516 121.338 122.820 0.056 0.000 2.343 707 A HA 0.268 4.588 4.320 -0.000 0.000 0.223 707 A C 0.642 178.233 177.584 0.012 0.000 1.214 707 A CA 0.244 52.297 52.037 0.028 0.000 0.900 707 A CB 0.648 19.661 19.000 0.022 0.000 0.942 707 A HN 0.059 nan 8.150 nan 0.000 0.507 708 S N -0.170 115.542 115.700 0.020 0.000 2.397 708 S HA 0.430 4.900 4.470 -0.000 0.000 0.190 708 S C -2.651 171.963 174.600 0.023 0.000 1.100 708 S CA -0.730 57.468 58.200 -0.002 0.000 1.150 708 S CB 0.930 64.106 63.200 -0.041 0.000 1.302 708 S HN 0.016 nan 8.310 nan 0.000 0.417 709 P HA 0.014 nan 4.420 nan 0.000 0.220 709 P C 0.692 178.030 177.300 0.063 0.000 1.148 709 P CA 0.803 63.937 63.100 0.058 0.000 0.803 709 P CB 0.238 31.961 31.700 0.038 0.000 0.782 710 S N -1.853 113.866 115.700 0.031 0.000 2.539 710 S HA 0.109 4.579 4.470 -0.000 0.000 0.221 710 S C 1.427 176.030 174.600 0.005 0.000 0.987 710 S CA -0.306 57.909 58.200 0.025 0.000 0.929 710 S CB -0.512 62.691 63.200 0.003 0.000 0.832 710 S HN 0.012 nan 8.310 nan 0.000 0.492 711 I N 1.273 121.824 120.570 -0.031 0.000 2.286 711 I HA -0.038 4.132 4.170 -0.000 0.000 0.248 711 I C 1.438 177.461 176.117 -0.156 0.000 1.115 711 I CA 1.190 62.408 61.300 -0.137 0.000 1.392 711 I CB -0.284 37.569 38.000 -0.245 0.000 1.065 711 I HN 0.400 nan 8.210 nan 0.000 0.418 712 W N 1.239 122.510 121.300 -0.048 0.000 2.467 712 W HA 0.266 4.926 4.660 -0.000 0.000 0.275 712 W C 1.542 177.955 176.519 -0.177 0.000 1.239 712 W CA 0.891 58.170 57.345 -0.110 0.000 1.266 712 W CB -0.596 28.803 29.460 -0.101 0.000 1.112 712 W HN 0.359 nan 8.180 nan 0.000 0.576 713 G N 0.494 109.329 108.800 0.058 0.000 2.758 713 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.686 713 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.686 713 G C 0.025 174.891 174.900 -0.057 0.000 1.389 713 G CA -0.165 44.918 45.100 -0.029 0.000 0.845 713 G HN 0.167 nan 8.290 nan 0.000 0.572 714 N N 0.139 118.796 118.700 -0.072 0.000 2.171 714 N HA 0.128 4.868 4.740 -0.000 0.000 0.212 714 N C 0.480 175.927 175.510 -0.106 0.000 1.184 714 N CA 0.408 53.411 53.050 -0.077 0.000 0.888 714 N CB 0.590 39.050 38.487 -0.045 0.000 1.038 714 N HN 0.676 nan 8.380 nan 0.000 0.517 715 E N 0.894 121.013 120.200 -0.135 0.000 2.409 715 E HA 0.144 4.494 4.350 -0.000 0.000 0.257 715 E C 0.370 176.843 176.600 -0.212 0.000 1.150 715 E CA 0.267 56.574 56.400 -0.155 0.000 0.942 715 E CB 0.896 30.496 29.700 -0.166 0.000 0.979 715 E HN -0.076 nan 8.360 nan 0.000 0.447 716 R N 0.977 121.375 120.500 -0.170 0.000 2.562 716 R HA 0.358 4.698 4.340 -0.000 0.000 0.298 716 R C -0.639 175.592 176.300 -0.115 0.000 0.961 716 R CA -0.772 55.251 56.100 -0.128 0.000 0.881 716 R CB 0.737 31.021 30.300 -0.027 0.000 1.159 716 R HN 0.374 nan 8.270 nan 0.000 0.450 717 F N 1.038 120.981 119.950 -0.011 0.000 2.471 717 F HA 0.377 4.904 4.527 0.000 0.000 0.353 717 F C 0.798 176.591 175.800 -0.012 0.000 1.113 717 F CA 0.230 58.227 58.000 -0.005 0.000 1.262 717 F CB 0.968 39.971 39.000 0.004 0.000 1.146 717 F HN 0.499 nan 8.300 nan 0.000 0.578 718 A N 3.382 126.308 122.820 0.176 0.000 2.488 718 A HA 0.610 4.930 4.320 -0.000 0.000 0.298 718 A C -1.350 176.248 177.584 0.024 0.000 1.044 718 A CA -0.856 51.224 52.037 0.071 0.000 0.693 718 A CB 0.914 19.936 19.000 0.037 0.000 1.272 718 A HN 0.492 nan 8.150 nan 0.000 0.402 719 L N 1.717 122.912 121.223 -0.046 0.000 2.593 719 L HA -0.004 4.336 4.340 -0.000 0.000 0.287 719 L C 0.572 177.411 176.870 -0.051 0.000 1.243 719 L CA 0.796 55.573 54.840 -0.104 0.000 0.890 719 L CB -0.508 41.407 42.059 -0.240 0.000 1.134 719 L HN 0.834 nan 8.230 nan 0.000 0.502 720 D N 5.258 125.638 120.400 -0.033 0.000 2.382 720 D HA 0.120 4.760 4.640 -0.000 0.000 0.245 720 D C -1.423 174.872 176.300 -0.008 0.000 1.120 720 D CA -0.981 53.017 54.000 -0.003 0.000 0.890 720 D CB 1.077 41.887 40.800 0.016 0.000 1.201 720 D HN 0.348 nan 8.370 nan 0.000 0.433 721 P HA -0.191 nan 4.420 nan 0.000 0.218 721 P C 0.948 178.261 177.300 0.023 0.000 1.146 721 P CA 1.175 64.283 63.100 0.012 0.000 0.820 721 P CB -0.004 31.707 31.700 0.018 0.000 0.778 722 S N -2.086 113.632 115.700 0.030 0.000 2.522 722 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 722 S C 0.839 175.473 174.600 0.056 0.000 0.986 722 S CA -0.122 58.104 58.200 0.044 0.000 0.929 722 S CB -1.124 62.106 63.200 0.050 0.000 0.769 722 S HN -0.130 nan 8.310 nan 0.000 0.529 723 V N 2.544 122.483 119.914 0.041 0.000 2.673 723 V HA 0.115 4.235 4.120 -0.000 0.000 0.303 723 V C 0.250 176.404 176.094 0.100 0.000 1.046 723 V CA -0.116 62.220 62.300 0.060 0.000 1.126 723 V CB 1.030 32.840 31.823 -0.023 0.000 0.934 723 V HN 0.353 nan 8.190 nan 0.000 0.487 724 V N 6.664 126.679 119.914 0.168 0.000 2.333 724 V HA 0.258 4.378 4.120 -0.000 0.000 0.274 724 V C 0.350 176.607 176.094 0.272 0.000 1.028 724 V CA -0.834 61.575 62.300 0.182 0.000 0.851 724 V CB 1.025 32.944 31.823 0.159 0.000 1.000 724 V HN 0.838 nan 8.190 nan 0.000 0.456 725 K N 3.539 124.087 120.400 0.247 0.000 2.297 725 K HA 0.544 4.864 4.320 -0.000 0.000 0.286 725 K C -0.201 176.499 176.600 0.168 0.000 1.053 725 K CA -0.166 56.301 56.287 0.299 0.000 0.940 725 K CB 1.116 33.789 32.500 0.287 0.000 1.019 725 K HN 0.540 nan 8.250 nan 0.000 0.475 726 S N 1.686 117.477 115.700 0.152 0.000 2.621 726 S HA 0.165 4.635 4.470 -0.000 0.000 0.302 726 S C -0.637 173.986 174.600 0.039 0.000 1.093 726 S CA -0.866 57.362 58.200 0.047 0.000 1.017 726 S CB 1.700 64.871 63.200 -0.049 0.000 1.077 726 S HN 0.557 nan 8.310 nan 0.000 0.517 727 E N 2.550 122.756 120.200 0.009 0.000 2.046 727 E HA 0.425 4.775 4.350 -0.000 0.000 0.279 727 E C -0.801 175.796 176.600 -0.005 0.000 0.989 727 E CA -0.436 55.965 56.400 0.002 0.000 0.798 727 E CB 0.620 30.320 29.700 0.000 0.000 1.086 727 E HN 0.516 nan 8.360 nan 0.000 0.399 728 V N 1.608 121.522 119.914 0.000 0.000 3.019 728 V HA 0.537 4.657 4.120 -0.000 0.000 0.317 728 V C 0.026 176.106 176.094 -0.022 0.000 1.094 728 V CA -1.159 61.142 62.300 0.001 0.000 1.000 728 V CB 1.525 33.377 31.823 0.049 0.000 1.060 728 V HN 0.513 nan 8.190 nan 0.000 0.443 729 L N 2.094 123.293 121.223 -0.039 0.000 2.367 729 L HA 0.328 4.668 4.340 -0.000 0.000 0.275 729 L C 1.758 178.576 176.870 -0.087 0.000 1.129 729 L CA -0.171 54.627 54.840 -0.070 0.000 0.839 729 L CB 0.850 42.848 42.059 -0.102 0.000 1.133 729 L HN 0.809 nan 8.230 nan 0.000 0.453 730 K N 1.037 121.386 120.400 -0.085 0.000 2.173 730 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 730 K C 1.888 178.405 176.600 -0.139 0.000 1.046 730 K CA 1.957 58.188 56.287 -0.094 0.000 0.929 730 K CB -0.040 32.411 32.500 -0.081 0.000 0.720 730 K HN 0.817 nan 8.250 nan 0.000 0.453 731 S N -0.686 114.892 115.700 -0.203 0.000 2.458 731 S HA -0.047 4.423 4.470 -0.000 0.000 0.223 731 S C 1.921 176.212 174.600 -0.515 0.000 1.019 731 S CA 1.067 59.082 58.200 -0.309 0.000 0.937 731 S CB 0.072 63.078 63.200 -0.323 0.000 0.788 731 S HN 0.373 nan 8.310 nan 0.000 0.511 732 T N -3.550 110.710 114.554 -0.490 0.000 2.999 732 T HA 0.531 4.881 4.350 -0.000 0.000 0.247 732 T C 1.783 176.416 174.700 -0.111 0.000 1.012 732 T CA 0.745 62.461 62.100 -0.640 0.000 1.048 732 T CB -0.238 68.287 68.868 -0.570 0.000 1.020 732 T HN 1.103 nan 8.240 nan 0.000 0.478 733 G N 1.246 110.011 108.800 -0.058 0.000 2.184 733 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.264 733 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.264 733 G C -0.064 174.919 174.900 0.138 0.000 0.975 733 G CA 0.480 45.617 45.100 0.062 0.000 0.642 733 G HN 0.712 nan 8.290 nan 0.000 0.536 734 Q N -0.329 119.519 119.800 0.081 0.000 2.240 734 Q HA 0.644 4.984 4.340 -0.000 0.000 0.260 734 Q C 0.252 176.259 176.000 0.012 0.000 1.018 734 Q CA -0.913 54.932 55.803 0.070 0.000 0.898 734 Q CB 1.220 30.015 28.738 0.094 0.000 1.301 734 Q HN 0.270 nan 8.270 nan 0.000 0.469 735 K N 1.361 121.755 120.400 -0.009 0.000 2.380 735 K HA 0.107 4.427 4.320 -0.000 0.000 0.267 735 K C -2.283 174.313 176.600 -0.007 0.000 0.990 735 K CA -1.028 55.247 56.287 -0.020 0.000 0.946 735 K CB -0.026 32.450 32.500 -0.040 0.000 0.937 735 K HN 0.297 nan 8.250 nan 0.000 0.491 736 P HA 0.293 nan 4.420 nan 0.000 0.276 736 P C -0.449 176.858 177.300 0.011 0.000 1.261 736 P CA -0.415 62.686 63.100 0.002 0.000 0.800 736 P CB 1.108 32.806 31.700 -0.004 0.000 1.066 737 G N -0.724 108.090 108.800 0.024 0.000 2.327 737 G HA2 0.242 4.202 3.960 -0.000 0.000 0.291 737 G HA3 0.242 4.202 3.960 -0.000 0.000 0.291 737 G C -1.768 173.153 174.900 0.035 0.000 1.290 737 G CA -0.797 44.318 45.100 0.025 0.000 0.857 737 G HN 0.385 nan 8.290 nan 0.000 0.520 738 K N -0.458 119.955 120.400 0.021 0.000 2.172 738 K HA 0.692 5.012 4.320 -0.000 0.000 0.276 738 K C -0.522 176.080 176.600 0.003 0.000 1.013 738 K CA -0.416 55.875 56.287 0.006 0.000 0.913 738 K CB 1.799 34.294 32.500 -0.009 0.000 1.055 738 K HN 0.465 nan 8.250 nan 0.000 0.461 739 V N 1.177 121.070 119.914 -0.034 0.000 2.760 739 V HA 0.381 4.501 4.120 -0.000 0.000 0.309 739 V C -0.051 175.945 176.094 -0.164 0.000 1.077 739 V CA -1.191 61.064 62.300 -0.076 0.000 0.910 739 V CB 1.641 33.402 31.823 -0.103 0.000 1.008 739 V HN 0.898 nan 8.190 nan 0.000 0.424 740 S N 2.552 118.150 115.700 -0.171 0.000 3.024 740 S HA 0.447 4.917 4.470 -0.000 0.000 0.316 740 S C 0.048 174.440 174.600 -0.347 0.000 1.197 740 S CA -0.190 57.877 58.200 -0.222 0.000 1.097 740 S CB -0.279 62.803 63.200 -0.196 0.000 1.471 740 S HN 0.654 nan 8.310 nan 0.000 0.543 741 V N 4.419 124.127 119.914 -0.343 0.000 2.352 741 V HA 0.147 4.267 4.120 -0.000 0.000 0.253 741 V C 0.595 176.521 176.094 -0.281 0.000 1.083 741 V CA -0.159 61.900 62.300 -0.401 0.000 0.993 741 V CB -0.922 30.650 31.823 -0.418 0.000 1.111 741 V HN 1.040 nan 8.190 nan 0.000 0.490 742 E N 3.335 123.312 120.200 -0.371 0.000 2.160 742 E HA -0.177 4.173 4.350 -0.000 0.000 0.180 742 E C 0.528 177.008 176.600 -0.199 0.000 1.452 742 E CA 0.563 56.795 56.400 -0.280 0.000 0.683 742 E CB -1.987 27.619 29.700 -0.157 0.000 1.072 742 E HN 1.531 nan 8.360 nan 0.000 0.332 743 G N 1.435 110.104 108.800 -0.218 0.000 2.880 743 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 743 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 743 G C 0.137 174.963 174.900 -0.122 0.000 0.486 743 G CA 0.624 45.632 45.100 -0.154 0.000 0.914 743 G HN 0.726 nan 8.290 nan 0.000 0.427 744 K N 1.090 121.422 120.400 -0.114 0.000 1.869 744 K HA -0.075 4.245 4.320 -0.000 0.000 0.119 744 K C 0.280 176.822 176.600 -0.096 0.000 1.265 744 K CA 0.222 56.455 56.287 -0.090 0.000 0.342 744 K CB -0.630 31.824 32.500 -0.077 0.000 3.138 744 K HN 0.952 nan 8.250 nan 0.000 0.648 745 E N 1.408 121.549 120.200 -0.097 0.000 3.212 745 E HA -0.145 4.205 4.350 -0.000 0.000 0.266 745 E C -0.413 176.143 176.600 -0.072 0.000 0.836 745 E CA 0.587 56.933 56.400 -0.089 0.000 1.012 745 E CB -0.088 29.572 29.700 -0.066 0.000 0.777 745 E HN 0.176 nan 8.360 nan 0.000 0.505 746 V N 3.635 123.495 119.914 -0.090 0.000 2.732 746 V HA 0.148 4.268 4.120 -0.000 0.000 0.297 746 V C 0.509 176.586 176.094 -0.028 0.000 1.060 746 V CA -0.405 61.859 62.300 -0.060 0.000 1.038 746 V CB 1.552 33.330 31.823 -0.075 0.000 1.003 746 V HN 0.576 nan 8.190 nan 0.000 0.481 747 E N 3.237 123.435 120.200 -0.004 0.000 2.014 747 E HA 0.348 4.697 4.350 -0.000 0.000 0.275 747 E C -0.972 175.649 176.600 0.036 0.000 0.997 747 E CA -0.249 56.158 56.400 0.011 0.000 0.804 747 E CB 0.829 30.533 29.700 0.006 0.000 1.090 747 E HN 0.424 nan 8.360 nan 0.000 0.401 748 V N 4.534 124.481 119.914 0.055 0.000 2.383 748 V HA 0.497 4.617 4.120 -0.000 0.000 0.275 748 V C 0.462 176.581 176.094 0.043 0.000 1.036 748 V CA -0.416 61.935 62.300 0.086 0.000 0.889 748 V CB 1.320 33.249 31.823 0.176 0.000 0.985 748 V HN 0.691 nan 8.190 nan 0.000 0.459 749 T N 2.649 117.221 114.554 0.029 0.000 2.841 749 T HA 0.884 5.234 4.350 -0.000 0.000 0.296 749 T C -0.166 174.530 174.700 -0.007 0.000 1.166 749 T CA 0.454 62.559 62.100 0.008 0.000 1.007 749 T CB 1.858 70.733 68.868 0.012 0.000 1.253 749 T HN 1.439 nan 8.240 nan 0.000 0.511 750 G N 1.157 109.949 108.800 -0.014 0.000 2.334 750 G HA2 0.252 4.212 3.960 -0.000 0.000 0.315 750 G HA3 0.252 4.212 3.960 -0.000 0.000 0.315 750 G C -0.559 174.323 174.900 -0.029 0.000 1.284 750 G CA -0.153 44.932 45.100 -0.024 0.000 0.985 750 G HN 1.362 nan 8.290 nan 0.000 0.504 751 S N -0.722 114.958 115.700 -0.033 0.000 2.572 751 S HA 0.602 5.072 4.470 -0.000 0.000 0.279 751 S C 0.704 175.281 174.600 -0.039 0.000 1.341 751 S CA 0.885 59.066 58.200 -0.032 0.000 1.043 751 S CB 1.295 64.477 63.200 -0.030 0.000 0.887 751 S HN 2.082 nan 8.310 nan 0.000 0.516 752 T N -1.423 113.112 114.554 -0.032 0.000 2.940 752 T HA 0.783 5.133 4.350 -0.000 0.000 0.288 752 T C -0.513 174.168 174.700 -0.033 0.000 1.045 752 T CA -0.838 61.243 62.100 -0.032 0.000 1.018 752 T CB 1.479 70.333 68.868 -0.023 0.000 1.151 752 T HN 1.043 nan 8.240 nan 0.000 0.529 753 V N 0.193 120.085 119.914 -0.037 0.000 3.048 753 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 753 V C -0.508 175.551 176.094 -0.058 0.000 1.214 753 V CA -0.589 61.681 62.300 -0.050 0.000 0.984 753 V CB 2.482 34.268 31.823 -0.062 0.000 1.054 753 V HN 1.249 nan 8.190 nan 0.000 0.430 754 T N 3.932 118.435 114.554 -0.086 0.000 2.884 754 T HA 0.399 4.749 4.350 -0.000 0.000 0.298 754 T C -0.194 174.332 174.700 -0.289 0.000 0.998 754 T CA 0.317 62.342 62.100 -0.126 0.000 1.124 754 T CB 1.010 69.830 68.868 -0.081 0.000 0.931 754 T HN 0.717 nan 8.240 nan 0.000 0.531 755 S N 1.966 117.564 115.700 -0.171 0.000 2.561 755 S HA 0.558 5.028 4.470 -0.000 0.000 0.303 755 S C -1.429 173.219 174.600 0.080 0.000 1.110 755 S CA -0.751 57.380 58.200 -0.116 0.000 1.034 755 S CB 0.285 63.602 63.200 0.195 0.000 1.010 755 S HN 0.479 nan 8.310 nan 0.000 0.482 756 Y N 2.362 122.735 120.300 0.121 0.000 2.323 756 Y HA 0.594 5.144 4.550 0.000 0.000 0.331 756 Y C -0.274 175.651 175.900 0.041 0.000 1.092 756 Y CA -1.162 57.011 58.100 0.122 0.000 1.150 756 Y CB 0.640 39.121 38.460 0.035 0.000 1.200 756 Y HN 0.616 nan 8.280 nan 0.000 0.472 757 W N -0.089 121.318 121.300 0.178 0.000 2.936 757 W HA 0.668 5.328 4.660 -0.000 0.000 0.338 757 W C -0.084 176.489 176.519 0.091 0.000 1.121 757 W CA -0.956 56.452 57.345 0.105 0.000 1.209 757 W CB 2.072 31.579 29.460 0.079 0.000 1.420 757 W HN 0.533 nan 8.180 nan 0.000 0.516 758 A N 2.126 125.099 122.820 0.254 0.000 2.500 758 A HA 0.175 4.495 4.320 -0.000 0.000 0.267 758 A C 0.474 178.181 177.584 0.204 0.000 1.290 758 A CA -0.101 52.048 52.037 0.187 0.000 0.928 758 A CB -1.076 17.998 19.000 0.123 0.000 1.066 758 A HN 0.562 nan 8.150 nan 0.000 0.516 759 N N 0.106 118.967 118.700 0.269 0.000 2.669 759 N HA 0.168 4.908 4.740 -0.000 0.000 0.306 759 N C 1.009 176.600 175.510 0.134 0.000 1.352 759 N CA 0.133 53.301 53.050 0.196 0.000 0.886 759 N CB 0.136 38.751 38.487 0.214 0.000 1.107 759 N HN 0.004 nan 8.380 nan 0.000 0.534 760 K N -1.107 119.347 120.400 0.088 0.000 2.214 760 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 760 K C 1.220 177.833 176.600 0.021 0.000 1.049 760 K CA 1.452 57.771 56.287 0.053 0.000 0.978 760 K CB -0.750 31.775 32.500 0.040 0.000 0.842 760 K HN 0.563 nan 8.250 nan 0.000 0.474 761 S N 0.029 115.721 115.700 -0.015 0.000 2.557 761 S HA 0.331 4.801 4.470 -0.000 0.000 0.223 761 S C 1.037 175.539 174.600 -0.163 0.000 0.969 761 S CA 0.243 58.401 58.200 -0.070 0.000 0.927 761 S CB -0.419 62.733 63.200 -0.079 0.000 0.806 761 S HN 0.712 nan 8.310 nan 0.000 0.489 762 G N 1.879 110.571 108.800 -0.180 0.000 2.574 762 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.282 762 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.282 762 G C 0.209 174.437 174.900 -1.119 0.000 1.257 762 G CA -0.216 44.600 45.100 -0.473 0.000 0.956 762 G HN 1.560 nan 8.290 nan 0.000 0.560 763 A N 2.011 124.013 122.820 -1.362 0.000 2.354 763 A HA 0.731 5.051 4.320 -0.000 0.000 0.269 763 A C -0.713 176.519 177.584 -0.587 0.000 1.109 763 A CA 0.000 51.226 52.037 -1.353 0.000 0.800 763 A CB 0.346 18.981 19.000 -0.607 0.000 1.045 763 A HN 0.795 nan 8.150 nan 0.000 0.489 764 P HA 0.360 nan 4.420 nan 0.000 0.293 764 P C -0.084 177.161 177.300 -0.093 0.000 1.298 764 P CA -0.101 62.892 63.100 -0.178 0.000 0.757 764 P CB 0.493 32.146 31.700 -0.078 0.000 1.262 765 A N -0.410 122.386 122.820 -0.040 0.000 2.302 765 A HA 0.406 4.726 4.320 -0.000 0.000 0.285 765 A C 0.180 177.790 177.584 0.044 0.000 1.105 765 A CA -0.219 51.815 52.037 -0.004 0.000 0.816 765 A CB -0.724 18.275 19.000 -0.001 0.000 1.067 765 A HN 0.466 nan 8.150 nan 0.000 0.489 766 T N 2.444 117.039 114.554 0.068 0.000 2.867 766 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 766 T C 0.799 175.602 174.700 0.172 0.000 0.989 766 T CA 0.620 62.801 62.100 0.135 0.000 1.159 766 T CB -0.140 68.808 68.868 0.133 0.000 0.928 766 T HN 0.852 nan 8.240 nan 0.000 0.538 767 S N 2.734 118.566 115.700 0.220 0.000 2.786 767 S HA 0.420 4.890 4.470 -0.000 0.000 0.307 767 S C 0.742 175.579 174.600 0.395 0.000 1.121 767 S CA -1.000 57.337 58.200 0.229 0.000 0.975 767 S CB 0.663 63.955 63.200 0.152 0.000 1.220 767 S HN 0.699 nan 8.310 nan 0.000 0.550 768 Y N 1.199 121.615 120.300 0.194 0.000 2.243 768 Y HA 0.200 4.750 4.550 -0.000 0.000 0.293 768 Y C 1.272 177.323 175.900 0.251 0.000 1.124 768 Y CA 0.884 59.154 58.100 0.284 0.000 1.159 768 Y CB 0.068 38.473 38.460 -0.092 0.000 1.008 768 Y HN 0.476 nan 8.280 nan 0.000 0.527 769 R N 1.965 122.366 120.500 -0.165 0.000 3.268 769 R HA 0.076 4.416 4.340 -0.000 0.000 0.217 769 R C 0.387 176.646 176.300 -0.069 0.000 1.568 769 R CA 0.136 55.939 56.100 -0.496 0.000 1.322 769 R CB -0.778 29.317 30.300 -0.343 0.000 1.280 769 R HN 0.518 nan 8.270 nan 0.000 0.667 770 F N -0.343 119.667 119.950 0.101 0.000 2.270 770 F HA 0.271 4.798 4.527 -0.000 0.000 0.295 770 F C 1.079 176.922 175.800 0.071 0.000 1.087 770 F CA -0.643 57.409 58.000 0.086 0.000 1.365 770 F CB -0.160 38.860 39.000 0.034 0.000 1.056 770 F HN 0.102 nan 8.300 nan 0.000 0.506 771 A N 1.882 124.443 122.820 -0.433 0.000 2.386 771 A HA 0.381 4.701 4.320 -0.000 0.000 0.246 771 A C 0.294 177.792 177.584 -0.145 0.000 1.089 771 A CA -0.557 51.327 52.037 -0.256 0.000 0.790 771 A CB -0.167 18.525 19.000 -0.513 0.000 1.042 771 A HN 0.256 nan 8.150 nan 0.000 0.497 772 I N 1.662 122.168 120.570 -0.108 0.000 2.436 772 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 772 I C 1.162 177.098 176.117 -0.302 0.000 1.083 772 I CA 1.412 62.649 61.300 -0.104 0.000 1.372 772 I CB -1.287 36.727 38.000 0.023 0.000 1.408 772 I HN 1.160 nan 8.210 nan 0.000 0.516 773 G N 4.304 112.780 108.800 -0.540 0.000 2.760 773 G HA2 0.374 4.334 3.960 -0.000 0.000 0.246 773 G HA3 0.374 4.334 3.960 -0.000 0.000 0.246 773 G C -0.111 174.087 174.900 -1.170 0.000 1.359 773 G CA -0.060 44.165 45.100 -1.459 0.000 0.861 773 G HN 1.825 nan 8.290 nan 0.000 0.541 774 G N -2.222 105.726 108.800 -1.420 0.000 2.640 774 G HA2 0.547 4.507 3.960 -0.000 0.000 0.686 774 G HA3 0.547 4.507 3.960 -0.000 0.000 0.686 774 G C -0.008 174.662 174.900 -0.384 0.000 1.229 774 G CA 0.653 45.320 45.100 -0.721 0.000 0.796 774 G HN 2.664 nan 8.290 nan 0.000 0.654 775 S N 0.447 116.021 115.700 -0.209 0.000 2.646 775 S HA 0.607 5.077 4.470 -0.000 0.000 0.276 775 S C 1.054 175.660 174.600 0.010 0.000 1.222 775 S CA 0.269 58.443 58.200 -0.042 0.000 1.014 775 S CB 1.777 64.973 63.200 -0.007 0.000 0.991 775 S HN 0.580 nan 8.310 nan 0.000 0.533 776 D N 1.761 122.219 120.400 0.096 0.000 2.149 776 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 776 D C 2.208 178.560 176.300 0.087 0.000 1.001 776 D CA 1.973 56.063 54.000 0.149 0.000 0.849 776 D CB -1.005 39.860 40.800 0.109 0.000 0.939 776 D HN 0.724 nan 8.370 nan 0.000 0.449 777 A N 1.729 124.551 122.820 0.002 0.000 1.873 777 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 777 A C 1.860 179.333 177.584 -0.184 0.000 1.193 777 A CA 2.210 54.216 52.037 -0.051 0.000 0.629 777 A CB -0.564 18.405 19.000 -0.051 0.000 0.826 777 A HN 0.088 nan 8.150 nan 0.000 0.447 778 D N -1.134 119.021 120.400 -0.409 0.000 2.106 778 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 778 D C 1.679 177.582 176.300 -0.662 0.000 0.997 778 D CA 1.723 55.118 54.000 -1.009 0.000 0.834 778 D CB -0.592 39.388 40.800 -1.368 0.000 0.956 778 D HN 0.624 nan 8.370 nan 0.000 0.448 779 Y N 1.455 121.560 120.300 -0.324 0.000 2.439 779 Y HA -0.117 4.433 4.550 -0.000 0.000 0.292 779 Y C 2.609 178.582 175.900 0.122 0.000 1.130 779 Y CA 0.805 58.816 58.100 -0.147 0.000 1.254 779 Y CB -0.315 38.045 38.460 -0.166 0.000 1.000 779 Y HN 0.115 nan 8.280 nan 0.000 0.554 780 Q N 0.602 120.553 119.800 0.251 0.000 2.016 780 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 780 Q C 1.976 178.091 176.000 0.193 0.000 0.978 780 Q CA 1.816 57.761 55.803 0.237 0.000 0.833 780 Q CB -0.674 28.144 28.738 0.134 0.000 0.895 780 Q HN 0.478 nan 8.270 nan 0.000 0.427 781 N N 0.867 119.617 118.700 0.084 0.000 2.080 781 N HA -0.161 4.579 4.740 -0.000 0.000 0.189 781 N C 1.939 177.525 175.510 0.126 0.000 1.036 781 N CA 1.604 54.703 53.050 0.080 0.000 0.846 781 N CB -0.253 38.250 38.487 0.028 0.000 1.015 781 N HN 0.362 nan 8.380 nan 0.000 0.423 782 A N 0.845 123.724 122.820 0.098 0.000 1.859 782 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 782 A C 2.147 179.805 177.584 0.124 0.000 1.209 782 A CA 1.697 53.796 52.037 0.104 0.000 0.639 782 A CB -1.711 17.289 19.000 0.000 0.000 0.835 782 A HN 0.626 nan 8.150 nan 0.000 0.450 783 W N 0.411 121.820 121.300 0.182 0.000 2.364 783 W HA -0.137 4.523 4.660 -0.000 0.000 0.281 783 W C 2.480 179.066 176.519 0.112 0.000 1.219 783 W CA 1.442 58.889 57.345 0.169 0.000 1.220 783 W CB 0.046 29.634 29.460 0.213 0.000 1.127 783 W HN 0.481 nan 8.180 nan 0.000 0.556 784 S N -0.925 114.979 115.700 0.340 0.000 2.679 784 S HA 0.059 4.529 4.470 -0.000 0.000 0.233 784 S C 1.148 175.834 174.600 0.142 0.000 0.951 784 S CA 0.436 58.767 58.200 0.218 0.000 0.973 784 S CB -0.394 62.909 63.200 0.172 0.000 0.778 784 S HN 0.126 nan 8.310 nan 0.000 0.477 785 S N 0.128 115.901 115.700 0.122 0.000 2.593 785 S HA 0.326 4.796 4.470 -0.000 0.000 0.235 785 S C 1.435 176.061 174.600 0.044 0.000 1.059 785 S CA -0.175 58.064 58.200 0.065 0.000 0.953 785 S CB -0.734 62.487 63.200 0.034 0.000 0.897 785 S HN 0.443 nan 8.310 nan 0.000 0.507 786 I N 1.679 122.274 120.570 0.042 0.000 2.226 786 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 786 I C 2.405 178.588 176.117 0.110 0.000 1.100 786 I CA 1.023 62.322 61.300 -0.002 0.000 1.374 786 I CB -0.391 37.493 38.000 -0.193 0.000 1.057 786 I HN 0.195 nan 8.210 nan 0.000 0.413 787 V N 1.125 121.162 119.914 0.206 0.000 2.270 787 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 787 V C 2.435 178.589 176.094 0.101 0.000 1.043 787 V CA 2.086 64.494 62.300 0.181 0.000 1.014 787 V CB -1.188 30.750 31.823 0.192 0.000 0.645 787 V HN 0.569 nan 8.190 nan 0.000 0.447 788 G N 0.056 108.908 108.800 0.086 0.000 2.873 788 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 788 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 788 G C 0.470 175.392 174.900 0.037 0.000 1.129 788 G CA 1.250 46.382 45.100 0.054 0.000 0.725 788 G HN 0.608 nan 8.290 nan 0.000 0.591 789 S N 0.000 115.723 115.700 0.038 0.000 2.498 789 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 789 S CA 0.000 58.213 58.200 0.021 0.000 1.107 789 S CB 0.000 63.203 63.200 0.005 0.000 0.593 789 S HN 0.000 nan 8.310 nan 0.000 0.517