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 1dqa_1_A DATA FIRST_RESID 462 DATA SEQUENCE LSDAEIIQLV NAKHIPAYKL ETLIETHERG VSIRRQLLSK KLSEPSSLQY DATA SEQUENCE LPYRDYNYSL VMGACCENVI GYMPIPVGVA GPLCLDEKEF QVPMATTEGC DATA SEQUENCE LVASTNRGCR AIGLGGGASS RVLADGMTRG PVVRLPRACD SAEVKAWLET DATA SEQUENCE SEGFAVIKEA FDSTSRFARL QKLHTSIAGR NLYIRFQSRS GDAMGMNMIS DATA SEQUENCE KGTEKALSKL HEYFPEMQIL AVSGNYCTDK KPAAINWIEG RGKSVVCEAV DATA SEQUENCE IPAKVVREVL KTTTEAMIEV NINKNLVGSA MAGSIGGYNA HAANIVTAIY DATA SEQUENCE IACGQDAAQN VGSSNCITLM EASGPTNEDL YISCTMPSIE IGTVGGGTNL DATA SEQUENCE LPQQACLQML GVQGACKDNP GENARQLARI VCGTVMAGEL SLMAALAAGH DATA SEQUENCE LVKSHMIHN 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 462 L HA 0.000 nan 4.340 nan 0.000 0.249 462 L C 0.000 176.864 176.870 -0.010 0.000 1.165 462 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 462 L CB 0.000 42.050 42.059 -0.015 0.000 0.961 463 S N -1.576 114.118 115.700 -0.011 0.000 2.707 463 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 463 S C 0.186 174.778 174.600 -0.014 0.000 1.179 463 S CA -0.422 57.772 58.200 -0.009 0.000 0.992 463 S CB 1.684 64.879 63.200 -0.009 0.000 1.030 463 S HN 0.645 nan 8.310 nan 0.000 0.554 464 D N 1.105 121.497 120.400 -0.013 0.000 2.097 464 D HA 0.033 4.673 4.640 -0.000 0.000 0.197 464 D C 2.244 178.529 176.300 -0.025 0.000 0.984 464 D CA 1.901 55.889 54.000 -0.020 0.000 0.826 464 D CB -0.925 39.865 40.800 -0.018 0.000 0.973 464 D HN 0.686 nan 8.370 nan 0.000 0.460 465 A N 0.870 123.678 122.820 -0.021 0.000 1.940 465 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 465 A C 2.042 179.612 177.584 -0.024 0.000 1.176 465 A CA 1.644 53.667 52.037 -0.022 0.000 0.631 465 A CB -0.536 18.454 19.000 -0.017 0.000 0.814 465 A HN 0.237 nan 8.150 nan 0.000 0.446 466 E N -0.438 119.750 120.200 -0.021 0.000 2.072 466 E HA -0.100 4.249 4.350 -0.000 0.000 0.191 466 E C 1.902 178.486 176.600 -0.027 0.000 0.985 466 E CA 1.056 57.444 56.400 -0.021 0.000 0.801 466 E CB -0.261 29.429 29.700 -0.017 0.000 0.750 466 E HN 0.690 nan 8.360 nan 0.000 0.452 467 I N 1.090 121.643 120.570 -0.029 0.000 2.226 467 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 467 I C 2.343 178.433 176.117 -0.045 0.000 1.100 467 I CA 1.069 62.346 61.300 -0.037 0.000 1.374 467 I CB -0.221 37.757 38.000 -0.038 0.000 1.057 467 I HN 0.123 nan 8.210 nan 0.000 0.413 468 I N 0.156 120.700 120.570 -0.045 0.000 2.179 468 I HA -0.331 3.838 4.170 -0.000 0.000 0.242 468 I C 2.640 178.729 176.117 -0.048 0.000 1.088 468 I CA 1.474 62.744 61.300 -0.051 0.000 1.357 468 I CB -0.419 37.553 38.000 -0.047 0.000 1.051 468 I HN 0.294 nan 8.210 nan 0.000 0.409 469 Q N 0.183 119.961 119.800 -0.037 0.000 2.135 469 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 469 Q C 2.316 178.296 176.000 -0.033 0.000 0.981 469 Q CA 1.287 57.071 55.803 -0.032 0.000 0.856 469 Q CB -0.029 28.694 28.738 -0.024 0.000 0.902 469 Q HN 0.447 nan 8.270 nan 0.000 0.425 470 L N 0.140 121.341 121.223 -0.036 0.000 2.109 470 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 470 L C 2.122 178.962 176.870 -0.049 0.000 1.086 470 L CA 1.189 56.007 54.840 -0.036 0.000 0.760 470 L CB -0.645 41.393 42.059 -0.035 0.000 0.910 470 L HN 0.121 nan 8.230 nan 0.000 0.437 471 V N 0.771 120.645 119.914 -0.065 0.000 2.237 471 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 471 V C 2.437 178.466 176.094 -0.109 0.000 1.046 471 V CA 1.922 64.165 62.300 -0.095 0.000 1.007 471 V CB -0.725 31.034 31.823 -0.106 0.000 0.638 471 V HN 0.487 nan 8.190 nan 0.000 0.445 472 N N 0.718 119.364 118.700 -0.091 0.000 2.036 472 N HA -0.193 4.547 4.740 -0.000 0.000 0.195 472 N C 1.930 177.416 175.510 -0.040 0.000 1.037 472 N CA 1.921 54.923 53.050 -0.081 0.000 0.855 472 N CB -0.710 37.746 38.487 -0.052 0.000 1.033 472 N HN 0.488 nan 8.380 nan 0.000 0.423 473 A N 1.284 124.089 122.820 -0.026 0.000 1.917 473 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 473 A C 1.468 179.059 177.584 0.011 0.000 1.182 473 A CA 1.518 53.553 52.037 -0.004 0.000 0.633 473 A CB -0.097 18.897 19.000 -0.009 0.000 0.819 473 A HN 0.099 nan 8.150 nan 0.000 0.448 474 K N -0.174 120.223 120.400 -0.004 0.000 2.814 474 K HA 0.081 4.401 4.320 -0.000 0.000 0.213 474 K C -0.023 176.610 176.600 0.057 0.000 1.113 474 K CA -0.410 55.889 56.287 0.020 0.000 1.145 474 K CB -0.515 31.982 32.500 -0.005 0.000 0.948 474 K HN 0.608 nan 8.250 nan 0.000 0.464 475 H N 1.168 120.220 119.070 -0.031 0.000 2.038 475 H HA -0.212 4.343 4.556 -0.001 0.000 0.333 475 H C -0.504 174.793 175.328 -0.051 0.000 0.914 475 H CA 0.512 56.540 56.048 -0.034 0.000 1.094 475 H CB -1.134 28.614 29.762 -0.024 0.000 1.569 475 H HN 0.291 nan 8.280 nan 0.000 0.345 476 I N 2.771 123.229 120.570 -0.187 0.000 2.496 476 I HA 0.070 4.240 4.170 -0.000 0.000 0.285 476 I C -1.520 174.431 176.117 -0.276 0.000 1.080 476 I CA -1.665 59.531 61.300 -0.173 0.000 1.404 476 I CB 0.758 38.673 38.000 -0.142 0.000 1.403 476 I HN 0.201 nan 8.210 nan 0.000 0.539 477 P HA 0.025 nan 4.420 nan 0.000 0.267 477 P C 0.314 177.341 177.300 -0.455 0.000 1.205 477 P CA -0.028 62.762 63.100 -0.516 0.000 0.765 477 P CB 0.985 32.004 31.700 -1.135 0.000 0.828 478 A N 3.774 126.436 122.820 -0.263 0.000 1.972 478 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 478 A C 1.692 179.223 177.584 -0.089 0.000 1.169 478 A CA 1.555 53.510 52.037 -0.137 0.000 0.635 478 A CB -1.619 17.351 19.000 -0.051 0.000 0.810 478 A HN 0.754 nan 8.150 nan 0.000 0.446 479 Y N -1.229 119.056 120.300 -0.024 0.000 2.497 479 Y HA 0.135 4.685 4.550 -0.000 0.000 0.292 479 Y C 1.601 177.498 175.900 -0.004 0.000 1.137 479 Y CA 1.135 59.228 58.100 -0.010 0.000 1.285 479 Y CB -0.284 38.176 38.460 0.001 0.000 0.991 479 Y HN 0.143 nan 8.280 nan 0.000 0.556 480 K N 0.596 120.837 120.400 -0.264 0.000 2.404 480 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 480 K C 1.523 178.070 176.600 -0.090 0.000 1.023 480 K CA 0.058 56.255 56.287 -0.149 0.000 1.094 480 K CB 0.030 32.378 32.500 -0.252 0.000 0.841 480 K HN 0.383 nan 8.250 nan 0.000 0.523 481 L N 1.042 122.212 121.223 -0.088 0.000 2.051 481 L HA -0.275 4.065 4.340 -0.000 0.000 0.214 481 L C 1.742 178.582 176.870 -0.050 0.000 1.076 481 L CA 1.491 56.288 54.840 -0.071 0.000 0.758 481 L CB -0.303 41.715 42.059 -0.069 0.000 0.890 481 L HN 0.170 nan 8.230 nan 0.000 0.433 482 E N -0.714 119.473 120.200 -0.022 0.000 2.204 482 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 482 E C 2.087 178.653 176.600 -0.055 0.000 0.989 482 E CA 1.574 57.956 56.400 -0.030 0.000 0.824 482 E CB -0.195 29.538 29.700 0.056 0.000 0.756 482 E HN 0.557 nan 8.360 nan 0.000 0.477 483 T N -1.844 112.693 114.554 -0.028 0.000 3.088 483 T HA 0.057 4.407 4.350 -0.000 0.000 0.259 483 T C 1.680 176.356 174.700 -0.040 0.000 1.122 483 T CA 0.272 62.356 62.100 -0.027 0.000 1.095 483 T CB 0.050 68.914 68.868 -0.006 0.000 0.930 483 T HN 0.136 nan 8.240 nan 0.000 0.508 484 L N -0.525 120.668 121.223 -0.050 0.000 2.269 484 L HA 0.524 4.864 4.340 -0.000 0.000 0.200 484 L C 0.755 177.594 176.870 -0.051 0.000 1.069 484 L CA 0.137 54.947 54.840 -0.050 0.000 0.804 484 L CB 0.223 42.247 42.059 -0.057 0.000 0.987 484 L HN 0.188 nan 8.230 nan 0.000 0.468 485 I N -0.413 120.121 120.570 -0.059 0.000 2.834 485 I HA 0.036 4.205 4.170 -0.000 0.000 0.305 485 I C 0.973 177.043 176.117 -0.078 0.000 1.008 485 I CA -0.150 61.115 61.300 -0.059 0.000 1.273 485 I CB 1.256 39.224 38.000 -0.053 0.000 1.432 485 I HN 0.149 nan 8.210 nan 0.000 0.557 486 E N 0.779 120.940 120.200 -0.066 0.000 2.030 486 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 486 E C 0.698 177.229 176.600 -0.115 0.000 0.974 486 E CA 0.813 57.167 56.400 -0.076 0.000 0.807 486 E CB 0.032 29.708 29.700 -0.041 0.000 0.771 486 E HN 0.638 nan 8.360 nan 0.000 0.451 487 T N -0.634 113.881 114.554 -0.065 0.000 2.869 487 T HA 0.058 4.408 4.350 -0.000 0.000 0.295 487 T C 0.589 175.270 174.700 -0.032 0.000 0.987 487 T CA -0.203 61.879 62.100 -0.030 0.000 1.109 487 T CB 0.849 69.742 68.868 0.043 0.000 0.932 487 T HN 0.097 nan 8.240 nan 0.000 0.518 488 H N 1.940 121.057 119.070 0.078 0.000 2.321 488 H HA 0.006 4.561 4.556 -0.000 0.000 0.300 488 H C 2.173 177.516 175.328 0.026 0.000 1.087 488 H CA 2.128 58.219 56.048 0.072 0.000 1.319 488 H CB 0.221 30.085 29.762 0.170 0.000 1.379 488 H HN 0.817 nan 8.280 nan 0.000 0.501 489 E N 0.893 121.251 120.200 0.263 0.000 2.085 489 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 489 E C 2.342 179.035 176.600 0.154 0.000 0.994 489 E CA 0.910 57.453 56.400 0.238 0.000 0.801 489 E CB 0.054 29.954 29.700 0.332 0.000 0.743 489 E HN 0.316 nan 8.360 nan 0.000 0.453 490 R N -0.437 120.128 120.500 0.107 0.000 2.115 490 R HA -0.088 4.252 4.340 -0.000 0.000 0.230 490 R C 2.317 178.613 176.300 -0.008 0.000 1.111 490 R CA 1.309 57.443 56.100 0.057 0.000 0.976 490 R CB -0.386 29.937 30.300 0.038 0.000 0.870 490 R HN 0.252 nan 8.270 nan 0.000 0.445 491 G N -0.070 108.716 108.800 -0.023 0.000 2.418 491 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 491 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 491 G C 1.360 176.201 174.900 -0.098 0.000 1.158 491 G CA 0.810 45.877 45.100 -0.055 0.000 0.771 491 G HN 0.211 nan 8.290 nan 0.000 0.545 492 V N 0.724 120.553 119.914 -0.140 0.000 2.343 492 V HA -0.177 3.942 4.120 -0.000 0.000 0.247 492 V C 3.030 178.951 176.094 -0.288 0.000 1.051 492 V CA 2.197 64.359 62.300 -0.231 0.000 1.036 492 V CB -0.344 31.262 31.823 -0.362 0.000 0.654 492 V HN 0.486 nan 8.190 nan 0.000 0.451 493 S N -0.219 115.325 115.700 -0.261 0.000 2.359 493 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 493 S C 1.982 176.451 174.600 -0.218 0.000 1.035 493 S CA 1.601 59.596 58.200 -0.342 0.000 1.018 493 S CB -0.255 62.889 63.200 -0.095 0.000 0.876 493 S HN 0.390 nan 8.310 nan 0.000 0.448 494 I N 1.811 122.300 120.570 -0.134 0.000 2.226 494 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 494 I C 2.642 178.689 176.117 -0.116 0.000 1.100 494 I CA 1.404 62.642 61.300 -0.104 0.000 1.374 494 I CB -1.418 36.536 38.000 -0.077 0.000 1.057 494 I HN 0.415 nan 8.210 nan 0.000 0.413 495 R N 1.054 121.478 120.500 -0.126 0.000 2.091 495 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 495 R C 2.455 178.681 176.300 -0.124 0.000 1.136 495 R CA 1.477 57.510 56.100 -0.111 0.000 0.959 495 R CB -0.085 30.155 30.300 -0.100 0.000 0.856 495 R HN 0.267 nan 8.270 nan 0.000 0.437 496 R N -0.017 120.376 120.500 -0.179 0.000 2.096 496 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 496 R C 2.479 178.697 176.300 -0.137 0.000 1.127 496 R CA 1.897 57.887 56.100 -0.183 0.000 0.968 496 R CB -0.158 29.962 30.300 -0.300 0.000 0.861 496 R HN 0.440 nan 8.270 nan 0.000 0.440 497 Q N 0.015 119.736 119.800 -0.131 0.000 2.079 497 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 497 Q C 1.921 177.877 176.000 -0.074 0.000 0.974 497 Q CA 0.985 56.732 55.803 -0.094 0.000 0.840 497 Q CB -0.017 28.670 28.738 -0.084 0.000 0.898 497 Q HN 0.153 nan 8.270 nan 0.000 0.430 498 L N 0.258 121.435 121.223 -0.077 0.000 2.083 498 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 498 L C 2.132 178.968 176.870 -0.056 0.000 1.083 498 L CA 1.287 56.088 54.840 -0.066 0.000 0.752 498 L CB -0.858 41.157 42.059 -0.073 0.000 0.899 498 L HN 0.246 nan 8.230 nan 0.000 0.433 499 L N -1.270 119.918 121.223 -0.059 0.000 2.072 499 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 499 L C 2.493 179.338 176.870 -0.041 0.000 1.079 499 L CA 1.483 56.295 54.840 -0.047 0.000 0.752 499 L CB -0.754 41.275 42.059 -0.051 0.000 0.906 499 L HN 0.154 nan 8.230 nan 0.000 0.436 500 S N -0.165 115.505 115.700 -0.050 0.000 2.402 500 S HA -0.230 4.240 4.470 -0.000 0.000 0.233 500 S C 1.834 176.416 174.600 -0.031 0.000 1.030 500 S CA 1.591 59.767 58.200 -0.041 0.000 1.003 500 S CB -0.348 62.822 63.200 -0.049 0.000 0.813 500 S HN 0.497 nan 8.310 nan 0.000 0.477 501 K N 0.845 121.226 120.400 -0.032 0.000 2.283 501 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 501 K C 1.379 177.968 176.600 -0.019 0.000 1.048 501 K CA 0.798 57.070 56.287 -0.025 0.000 0.948 501 K CB -0.016 32.468 32.500 -0.027 0.000 0.742 501 K HN 0.282 nan 8.250 nan 0.000 0.458 502 K N 0.593 120.982 120.400 -0.019 0.000 2.387 502 K HA 0.177 4.497 4.320 -0.000 0.000 0.198 502 K C -0.084 176.511 176.600 -0.009 0.000 1.022 502 K CA 0.000 56.280 56.287 -0.012 0.000 1.128 502 K CB 0.323 32.816 32.500 -0.011 0.000 0.853 502 K HN 0.014 nan 8.250 nan 0.000 0.523 503 L N 0.879 122.096 121.223 -0.011 0.000 2.322 503 L HA 0.161 4.501 4.340 -0.000 0.000 0.279 503 L C 1.572 178.440 176.870 -0.005 0.000 1.036 503 L CA -0.481 54.355 54.840 -0.007 0.000 0.807 503 L CB 1.742 43.795 42.059 -0.010 0.000 1.226 503 L HN 0.076 nan 8.230 nan 0.000 0.433 504 S N 0.658 116.357 115.700 -0.001 0.000 2.419 504 S HA -0.099 4.371 4.470 -0.000 0.000 0.233 504 S C 0.522 175.123 174.600 0.001 0.000 1.016 504 S CA 0.696 58.896 58.200 0.000 0.000 0.974 504 S CB -0.233 62.968 63.200 0.002 0.000 0.786 504 S HN 0.705 nan 8.310 nan 0.000 0.492 505 E N 1.692 121.893 120.200 0.002 0.000 2.489 505 E HA 0.294 4.644 4.350 -0.000 0.000 0.232 505 E C -2.382 174.218 176.600 0.001 0.000 0.990 505 E CA -2.268 54.135 56.400 0.004 0.000 0.768 505 E CB 1.641 31.347 29.700 0.010 0.000 1.270 505 E HN 0.198 nan 8.360 nan 0.000 0.423 506 P HA -0.220 nan 4.420 nan 0.000 0.218 506 P C 1.168 178.460 177.300 -0.014 0.000 1.146 506 P CA 1.189 64.282 63.100 -0.011 0.000 0.813 506 P CB 0.205 31.898 31.700 -0.012 0.000 0.778 507 S N -2.712 112.985 115.700 -0.005 0.000 2.593 507 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 507 S C 1.755 176.358 174.600 0.005 0.000 0.966 507 S CA 0.140 58.337 58.200 -0.006 0.000 0.914 507 S CB -0.978 62.225 63.200 0.005 0.000 0.776 507 S HN -0.032 nan 8.310 nan 0.000 0.523 508 S N 2.234 117.940 115.700 0.010 0.000 2.380 508 S HA -0.068 4.402 4.470 -0.000 0.000 0.229 508 S C 1.405 176.019 174.600 0.023 0.000 1.043 508 S CA 1.329 59.543 58.200 0.023 0.000 1.038 508 S CB -0.459 62.748 63.200 0.011 0.000 0.872 508 S HN 0.415 nan 8.310 nan 0.000 0.456 509 L N 1.828 123.045 121.223 -0.010 0.000 2.551 509 L HA 0.088 4.428 4.340 -0.000 0.000 0.228 509 L C 2.215 179.060 176.870 -0.043 0.000 1.153 509 L CA 0.944 55.769 54.840 -0.026 0.000 0.851 509 L CB -1.251 40.774 42.059 -0.057 0.000 0.959 509 L HN 0.362 nan 8.230 nan 0.000 0.451 510 Q N -0.534 119.223 119.800 -0.073 0.000 2.096 510 Q HA -0.263 4.077 4.340 -0.000 0.000 0.208 510 Q C 1.152 176.939 176.000 -0.354 0.000 0.993 510 Q CA 2.156 57.821 55.803 -0.229 0.000 0.862 510 Q CB -0.127 28.425 28.738 -0.309 0.000 0.915 510 Q HN 0.549 nan 8.270 nan 0.000 0.416 511 Y N -0.313 119.985 120.300 -0.003 0.000 2.493 511 Y HA 0.227 4.777 4.550 -0.001 0.000 0.275 511 Y C 0.213 176.093 175.900 -0.034 0.000 1.183 511 Y CA -0.327 57.766 58.100 -0.012 0.000 1.258 511 Y CB 0.578 39.032 38.460 -0.010 0.000 1.108 511 Y HN 0.132 nan 8.280 nan 0.000 0.521 512 L N 5.093 126.340 121.223 0.040 0.000 2.261 512 L HA 0.351 4.691 4.340 -0.000 0.000 0.289 512 L C -2.450 174.377 176.870 -0.073 0.000 1.059 512 L CA -1.767 53.058 54.840 -0.026 0.000 0.816 512 L CB 1.069 43.113 42.059 -0.025 0.000 1.191 512 L HN -0.040 nan 8.230 nan 0.000 0.431 513 P HA 0.120 nan 4.420 nan 0.000 0.274 513 P C -0.984 176.066 177.300 -0.417 0.000 1.237 513 P CA 0.186 63.076 63.100 -0.350 0.000 0.793 513 P CB 0.993 32.357 31.700 -0.561 0.000 0.977 514 Y N -1.314 118.849 120.300 -0.227 0.000 2.506 514 Y HA 0.379 4.929 4.550 0.000 0.000 0.290 514 Y C 0.568 176.745 175.900 0.461 0.000 1.003 514 Y CA -0.607 57.580 58.100 0.145 0.000 1.082 514 Y CB -0.071 38.449 38.460 0.099 0.000 1.399 514 Y HN 0.011 nan 8.280 nan 0.000 0.586 515 R N 2.516 122.765 120.500 -0.417 0.000 2.615 515 R HA 0.155 4.495 4.340 -0.000 0.000 0.270 515 R C -0.511 175.846 176.300 0.094 0.000 1.081 515 R CA 0.451 56.391 56.100 -0.267 0.000 1.154 515 R CB 0.029 30.072 30.300 -0.430 0.000 1.063 515 R HN 0.277 nan 8.270 nan 0.000 0.519 516 D N -0.018 120.425 120.400 0.072 0.000 2.772 516 D HA -0.252 4.388 4.640 -0.000 0.000 0.233 516 D C -1.125 175.186 176.300 0.020 0.000 1.143 516 D CA 1.274 55.302 54.000 0.046 0.000 0.700 516 D CB -1.293 39.520 40.800 0.023 0.000 1.076 516 D HN 0.420 nan 8.370 nan 0.000 0.430 517 Y N 0.512 120.715 120.300 -0.162 0.000 2.446 517 Y HA 0.361 4.912 4.550 0.001 0.000 0.345 517 Y C 0.056 175.658 175.900 -0.497 0.000 0.984 517 Y CA -1.256 56.575 58.100 -0.449 0.000 1.058 517 Y CB 1.161 39.192 38.460 -0.714 0.000 1.220 517 Y HN -0.159 nan 8.280 nan 0.000 0.455 518 N N 5.116 123.222 118.700 -0.990 0.000 2.466 518 N HA -0.026 4.714 4.740 -0.000 0.000 0.263 518 N C -0.143 175.031 175.510 -0.560 0.000 1.178 518 N CA 0.467 53.145 53.050 -0.620 0.000 0.983 518 N CB -0.012 38.162 38.487 -0.520 0.000 1.331 518 N HN 0.815 nan 8.380 nan 0.000 0.500 519 Y N 0.774 121.014 120.300 -0.099 0.000 2.509 519 Y HA -0.158 4.392 4.550 -0.000 0.000 0.293 519 Y C 2.550 178.208 175.900 -0.403 0.000 1.133 519 Y CA 0.664 58.710 58.100 -0.090 0.000 1.283 519 Y CB 0.147 38.626 38.460 0.030 0.000 1.001 519 Y HN 0.555 nan 8.280 nan 0.000 0.555 520 S N -0.213 115.265 115.700 -0.370 0.000 2.382 520 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 520 S C 1.749 176.246 174.600 -0.172 0.000 1.027 520 S CA 1.174 59.135 58.200 -0.398 0.000 0.991 520 S CB -0.640 62.492 63.200 -0.113 0.000 0.823 520 S HN 0.284 nan 8.310 nan 0.000 0.469 521 L N 1.270 122.410 121.223 -0.139 0.000 2.156 521 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 521 L C 2.619 179.469 176.870 -0.035 0.000 1.095 521 L CA 0.754 55.543 54.840 -0.086 0.000 0.770 521 L CB -0.891 41.096 42.059 -0.120 0.000 0.914 521 L HN 0.235 nan 8.230 nan 0.000 0.439 522 V N -1.284 118.627 119.914 -0.004 0.000 2.346 522 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 522 V C 1.356 177.492 176.094 0.069 0.000 1.037 522 V CA 0.546 62.893 62.300 0.078 0.000 1.029 522 V CB -0.406 31.545 31.823 0.213 0.000 0.663 522 V HN 0.228 nan 8.190 nan 0.000 0.454 523 M N 0.522 120.149 119.600 0.045 0.000 2.252 523 M HA 0.266 4.746 4.480 -0.000 0.000 0.348 523 M C 1.444 177.783 176.300 0.065 0.000 1.334 523 M CA 1.024 56.367 55.300 0.072 0.000 1.071 523 M CB -1.161 31.501 32.600 0.104 0.000 1.763 523 M HN 0.453 nan 8.290 nan 0.000 0.452 524 G N 2.177 111.018 108.800 0.069 0.000 2.155 524 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.257 524 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.257 524 G C 0.541 175.463 174.900 0.037 0.000 0.983 524 G CA 0.818 45.950 45.100 0.054 0.000 0.676 524 G HN 1.089 nan 8.290 nan 0.000 0.528 525 A N -2.867 119.974 122.820 0.036 0.000 1.827 525 A HA 0.486 4.806 4.320 -0.000 0.000 0.196 525 A C 1.636 179.236 177.584 0.026 0.000 1.833 525 A CA 1.656 53.707 52.037 0.024 0.000 1.363 525 A CB -0.168 18.841 19.000 0.015 0.000 1.439 525 A HN 0.921 nan 8.150 nan 0.000 0.391 526 C N -1.158 118.167 119.300 0.040 0.000 3.545 526 C HA 0.602 5.062 4.460 -0.000 0.000 0.368 526 C C 0.463 175.486 174.990 0.054 0.000 1.400 526 C CA -0.062 58.983 59.018 0.045 0.000 1.848 526 C CB -0.508 27.264 27.740 0.053 0.000 2.576 526 C HN 0.699 nan 8.230 nan 0.000 0.683 527 C N 1.038 120.378 119.300 0.066 0.000 3.302 527 C HA 0.583 5.043 4.460 -0.000 0.000 0.347 527 C C -1.959 173.073 174.990 0.069 0.000 1.218 527 C CA -0.230 58.828 59.018 0.066 0.000 1.234 527 C CB 0.972 28.765 27.740 0.088 0.000 1.551 527 C HN 0.514 nan 8.230 nan 0.000 0.501 528 E N 1.629 121.859 120.200 0.051 0.000 2.320 528 E HA 0.537 4.887 4.350 -0.000 0.000 0.264 528 E C -0.135 176.498 176.600 0.055 0.000 0.923 528 E CA -0.414 56.017 56.400 0.052 0.000 0.796 528 E CB 0.680 30.387 29.700 0.012 0.000 1.262 528 E HN 0.629 nan 8.360 nan 0.000 0.428 529 N N -0.076 118.671 118.700 0.079 0.000 2.714 529 N HA -0.148 4.592 4.740 -0.000 0.000 0.252 529 N C -1.259 174.272 175.510 0.035 0.000 1.014 529 N CA 0.295 53.389 53.050 0.073 0.000 0.735 529 N CB -0.944 37.588 38.487 0.074 0.000 0.924 529 N HN 0.250 nan 8.380 nan 0.000 0.540 530 V N 1.537 121.468 119.914 0.029 0.000 2.529 530 V HA 0.052 4.172 4.120 -0.000 0.000 0.292 530 V C 1.920 177.987 176.094 -0.045 0.000 1.028 530 V CA 0.494 62.804 62.300 0.017 0.000 1.074 530 V CB 0.712 32.562 31.823 0.045 0.000 0.958 530 V HN 0.384 nan 8.190 nan 0.000 0.481 531 I N 1.282 121.838 120.570 -0.023 0.000 4.154 531 I HA 0.758 4.928 4.170 -0.000 0.000 0.334 531 I C 0.719 176.818 176.117 -0.030 0.000 1.371 531 I CA 0.295 61.554 61.300 -0.067 0.000 1.110 531 I CB 0.433 38.396 38.000 -0.063 0.000 1.085 531 I HN 0.746 nan 8.210 nan 0.000 0.398 532 G N 1.505 110.354 108.800 0.082 0.000 2.332 532 G HA2 0.187 4.147 3.960 -0.000 0.000 0.265 532 G HA3 0.187 4.147 3.960 -0.000 0.000 0.265 532 G C -1.864 173.136 174.900 0.166 0.000 1.329 532 G CA -0.310 44.890 45.100 0.165 0.000 0.949 532 G HN 0.388 nan 8.290 nan 0.000 0.476 533 Y N -2.385 117.918 120.300 0.005 0.000 2.553 533 Y HA 0.869 5.419 4.550 0.000 0.000 0.347 533 Y C -0.387 175.475 175.900 -0.064 0.000 1.019 533 Y CA -1.871 56.148 58.100 -0.134 0.000 1.032 533 Y CB 2.104 40.301 38.460 -0.438 0.000 1.284 533 Y HN 0.718 nan 8.280 nan 0.000 0.466 534 M N 4.059 123.719 119.600 0.101 0.000 2.072 534 M HA 0.588 5.068 4.480 -0.000 0.000 0.331 534 M C -3.020 173.352 176.300 0.121 0.000 1.004 534 M CA -2.765 52.573 55.300 0.063 0.000 0.952 534 M CB 0.880 33.504 32.600 0.040 0.000 1.511 534 M HN 0.478 nan 8.290 nan 0.000 0.422 535 P HA 0.321 nan 4.420 nan 0.000 0.282 535 P C -1.228 176.118 177.300 0.077 0.000 1.274 535 P CA -0.196 62.985 63.100 0.135 0.000 0.770 535 P CB 0.326 32.112 31.700 0.144 0.000 0.867 536 I N 5.318 125.927 120.570 0.065 0.000 2.362 536 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 536 I C -2.115 174.026 176.117 0.041 0.000 0.994 536 I CA -3.209 58.119 61.300 0.047 0.000 1.158 536 I CB 0.919 38.945 38.000 0.042 0.000 1.315 536 I HN 0.153 nan 8.210 nan 0.000 0.451 537 P HA 0.113 nan 4.420 nan 0.000 0.265 537 P C -0.569 176.745 177.300 0.025 0.000 1.193 537 P CA 0.008 63.125 63.100 0.029 0.000 0.765 537 P CB 0.629 32.344 31.700 0.025 0.000 0.823 538 V N 3.199 123.126 119.914 0.022 0.000 2.448 538 V HA 0.687 4.806 4.120 -0.000 0.000 0.295 538 V C 0.746 176.847 176.094 0.013 0.000 1.025 538 V CA -0.248 62.062 62.300 0.018 0.000 0.859 538 V CB 1.605 33.439 31.823 0.018 0.000 0.988 538 V HN 0.770 nan 8.190 nan 0.000 0.431 539 G N 2.351 111.156 108.800 0.008 0.000 2.735 539 G HA2 0.696 4.656 3.960 -0.000 0.000 0.301 539 G HA3 0.696 4.656 3.960 -0.000 0.000 0.301 539 G C -1.430 173.472 174.900 0.004 0.000 1.279 539 G CA -0.733 44.368 45.100 0.002 0.000 1.019 539 G HN 0.664 nan 8.290 nan 0.000 0.497 540 V N -0.535 119.380 119.914 0.002 0.000 2.656 540 V HA 0.805 4.925 4.120 -0.000 0.000 0.307 540 V C -0.440 175.657 176.094 0.005 0.000 1.051 540 V CA -0.432 61.873 62.300 0.008 0.000 0.893 540 V CB 1.493 33.324 31.823 0.013 0.000 0.999 540 V HN 1.358 nan 8.190 nan 0.000 0.426 541 A N 4.401 127.228 122.820 0.011 0.000 2.343 541 A HA 1.052 5.372 4.320 -0.000 0.000 0.316 541 A C 0.108 177.708 177.584 0.027 0.000 1.104 541 A CA 0.179 52.223 52.037 0.011 0.000 0.768 541 A CB 1.433 20.437 19.000 0.006 0.000 1.213 541 A HN 2.230 nan 8.150 nan 0.000 0.456 542 G N 1.489 110.304 108.800 0.025 0.000 2.356 542 G HA2 0.454 4.414 3.960 -0.000 0.000 0.300 542 G HA3 0.454 4.414 3.960 -0.000 0.000 0.300 542 G C -3.428 171.486 174.900 0.023 0.000 1.331 542 G CA -0.424 44.699 45.100 0.037 0.000 0.905 542 G HN 0.721 nan 8.290 nan 0.000 0.587 543 P HA 0.439 nan 4.420 nan 0.000 0.275 543 P C -0.647 176.684 177.300 0.052 0.000 1.227 543 P CA -0.319 62.801 63.100 0.032 0.000 0.781 543 P CB 1.708 33.411 31.700 0.004 0.000 0.906 544 L N 4.863 126.146 121.223 0.100 0.000 2.261 544 L HA 0.266 4.605 4.340 -0.000 0.000 0.289 544 L C -0.606 176.350 176.870 0.143 0.000 1.059 544 L CA -0.463 54.453 54.840 0.126 0.000 0.816 544 L CB -0.242 41.919 42.059 0.170 0.000 1.191 544 L HN 0.352 nan 8.230 nan 0.000 0.431 545 C N 6.394 125.743 119.300 0.082 0.000 2.322 545 C HA 0.554 5.014 4.460 -0.000 0.000 0.343 545 C C -0.015 175.031 174.990 0.093 0.000 1.190 545 C CA -0.635 58.416 59.018 0.056 0.000 1.704 545 C CB -0.958 26.797 27.740 0.025 0.000 2.293 545 C HN 0.712 nan 8.230 nan 0.000 0.523 546 L N 4.279 125.590 121.223 0.146 0.000 2.439 546 L HA 0.460 4.800 4.340 -0.000 0.000 0.270 546 L C -0.352 176.621 176.870 0.172 0.000 0.972 546 L CA 0.471 55.420 54.840 0.181 0.000 0.836 546 L CB 1.018 43.247 42.059 0.284 0.000 1.255 546 L HN 0.681 nan 8.230 nan 0.000 0.404 547 D N 4.256 124.720 120.400 0.107 0.000 2.697 547 D HA -0.244 4.396 4.640 -0.000 0.000 0.238 547 D C 0.427 176.761 176.300 0.056 0.000 1.152 547 D CA 1.367 55.418 54.000 0.084 0.000 0.666 547 D CB -0.401 40.463 40.800 0.107 0.000 1.037 547 D HN 0.970 nan 8.370 nan 0.000 0.423 548 E N -2.245 117.973 120.200 0.029 0.000 3.370 548 E HA -0.282 4.068 4.350 -0.000 0.000 0.291 548 E C 0.112 176.683 176.600 -0.048 0.000 0.916 548 E CA 1.426 57.823 56.400 -0.004 0.000 0.981 548 E CB -0.411 29.289 29.700 0.000 0.000 1.498 548 E HN 0.531 nan 8.360 nan 0.000 0.452 549 K N 0.156 120.509 120.400 -0.078 0.000 2.306 549 K HA 0.549 4.869 4.320 -0.000 0.000 0.236 549 K C -0.502 175.889 176.600 -0.348 0.000 1.013 549 K CA -0.722 55.407 56.287 -0.263 0.000 0.857 549 K CB 1.648 33.900 32.500 -0.413 0.000 1.214 549 K HN -0.055 nan 8.250 nan 0.000 0.449 550 E N 1.262 121.161 120.200 -0.502 0.000 2.199 550 E HA 0.332 4.682 4.350 -0.000 0.000 0.265 550 E C -1.356 174.934 176.600 -0.516 0.000 0.882 550 E CA -0.486 55.706 56.400 -0.347 0.000 0.759 550 E CB 1.260 30.857 29.700 -0.172 0.000 1.148 550 E HN 0.256 nan 8.360 nan 0.000 0.412 551 F N 1.305 121.255 119.950 0.000 0.000 2.508 551 F HA 0.293 4.820 4.527 0.000 0.000 0.325 551 F C 0.386 176.186 175.800 -0.001 0.000 1.090 551 F CA -1.002 56.998 58.000 -0.000 0.000 0.945 551 F CB 1.678 40.679 39.000 0.001 0.000 1.156 551 F HN 0.118 nan 8.300 nan 0.000 0.463 552 Q N 2.947 122.859 119.800 0.186 0.000 2.431 552 Q HA 0.346 4.686 4.340 -0.000 0.000 0.249 552 Q C -0.882 175.179 176.000 0.103 0.000 1.025 552 Q CA -0.495 55.370 55.803 0.103 0.000 0.835 552 Q CB 1.916 30.689 28.738 0.059 0.000 1.207 552 Q HN 0.393 nan 8.270 nan 0.000 0.490 553 V N 5.694 125.657 119.914 0.081 0.000 2.408 553 V HA 0.262 4.382 4.120 -0.000 0.000 0.267 553 V C -1.901 174.210 176.094 0.029 0.000 1.047 553 V CA -1.445 60.884 62.300 0.049 0.000 0.937 553 V CB 0.877 32.718 31.823 0.030 0.000 0.999 553 V HN 0.513 nan 8.190 nan 0.000 0.472 554 P HA 0.448 nan 4.420 nan 0.000 0.285 554 P C -1.004 176.306 177.300 0.016 0.000 1.259 554 P CA -0.484 62.628 63.100 0.019 0.000 0.794 554 P CB 1.126 32.838 31.700 0.019 0.000 0.940 555 M N 2.221 121.829 119.600 0.013 0.000 2.165 555 M HA 0.483 4.963 4.480 -0.000 0.000 0.283 555 M C -0.530 175.778 176.300 0.014 0.000 0.978 555 M CA -0.666 54.641 55.300 0.011 0.000 0.948 555 M CB 2.581 35.180 32.600 -0.001 0.000 1.599 555 M HN 0.274 nan 8.290 nan 0.000 0.450 556 A N 2.489 125.322 122.820 0.022 0.000 2.252 556 A HA 0.811 5.131 4.320 -0.000 0.000 0.309 556 A C -0.198 177.400 177.584 0.022 0.000 1.285 556 A CA -0.254 51.797 52.037 0.025 0.000 0.900 556 A CB 0.763 19.783 19.000 0.033 0.000 1.157 556 A HN 0.767 nan 8.150 nan 0.000 0.536 557 T N 0.074 114.641 114.554 0.020 0.000 2.802 557 T HA 0.525 4.874 4.350 -0.000 0.000 0.311 557 T C 0.479 175.193 174.700 0.023 0.000 1.405 557 T CA 0.375 62.488 62.100 0.020 0.000 1.016 557 T CB 1.288 70.165 68.868 0.015 0.000 1.352 557 T HN 1.034 nan 8.240 nan 0.000 0.498 558 T N -0.972 113.598 114.554 0.027 0.000 3.091 558 T HA 0.376 4.726 4.350 -0.000 0.000 0.277 558 T C 0.269 174.992 174.700 0.038 0.000 0.996 558 T CA -0.253 61.865 62.100 0.029 0.000 0.897 558 T CB 0.004 68.888 68.868 0.027 0.000 1.109 558 T HN 0.555 nan 8.240 nan 0.000 0.534 559 E N 1.647 121.873 120.200 0.044 0.000 2.089 559 E HA 0.505 4.855 4.350 -0.000 0.000 0.284 559 E C 0.637 177.271 176.600 0.057 0.000 1.023 559 E CA -0.700 55.742 56.400 0.069 0.000 0.819 559 E CB 0.303 30.056 29.700 0.089 0.000 1.076 559 E HN 0.490 nan 8.360 nan 0.000 0.396 560 G N 2.454 111.288 108.800 0.056 0.000 2.554 560 G HA2 0.068 4.028 3.960 -0.000 0.000 0.238 560 G HA3 0.068 4.028 3.960 -0.000 0.000 0.238 560 G C 0.547 175.404 174.900 -0.072 0.000 1.259 560 G CA 0.035 45.143 45.100 0.014 0.000 0.843 560 G HN 0.942 nan 8.290 nan 0.000 0.582 561 C N 0.260 119.476 119.300 -0.139 0.000 5.824 561 C HA -0.201 4.259 4.460 -0.000 0.000 0.298 561 C C 2.389 177.318 174.990 -0.102 0.000 2.179 561 C CA 0.730 59.611 59.018 -0.229 0.000 1.933 561 C CB -1.880 25.564 27.740 -0.493 0.000 2.949 561 C HN 0.844 nan 8.230 nan 0.000 0.415 562 L N 1.654 122.866 121.223 -0.018 0.000 1.989 562 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 562 L C 2.273 179.140 176.870 -0.005 0.000 1.071 562 L CA 2.779 57.640 54.840 0.035 0.000 0.749 562 L CB -0.687 41.398 42.059 0.044 0.000 0.890 562 L HN 0.365 nan 8.230 nan 0.000 0.431 563 V N 0.032 119.925 119.914 -0.035 0.000 2.427 563 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 563 V C 2.785 178.843 176.094 -0.061 0.000 1.051 563 V CA 1.500 63.776 62.300 -0.040 0.000 1.048 563 V CB -1.362 30.438 31.823 -0.038 0.000 0.666 563 V HN 0.619 nan 8.190 nan 0.000 0.456 564 A N -0.666 122.083 122.820 -0.118 0.000 1.877 564 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 564 A C 2.566 180.102 177.584 -0.080 0.000 1.186 564 A CA 2.311 54.258 52.037 -0.150 0.000 0.620 564 A CB -0.826 17.978 19.000 -0.326 0.000 0.822 564 A HN 0.469 nan 8.150 nan 0.000 0.443 565 S N -1.035 114.636 115.700 -0.049 0.000 2.356 565 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 565 S C 2.082 176.701 174.600 0.032 0.000 1.032 565 S CA 2.179 60.387 58.200 0.013 0.000 1.005 565 S CB -0.605 62.637 63.200 0.070 0.000 0.867 565 S HN 0.632 nan 8.310 nan 0.000 0.449 566 T N 1.801 116.372 114.554 0.028 0.000 2.788 566 T HA -0.079 4.270 4.350 -0.000 0.000 0.268 566 T C 1.738 176.444 174.700 0.011 0.000 1.044 566 T CA 1.556 63.668 62.100 0.020 0.000 1.139 566 T CB -0.648 68.218 68.868 -0.003 0.000 0.867 566 T HN 0.494 nan 8.240 nan 0.000 0.454 567 N N 0.935 119.634 118.700 -0.002 0.000 2.142 567 N HA -0.064 4.676 4.740 -0.000 0.000 0.186 567 N C 1.920 177.432 175.510 0.003 0.000 1.023 567 N CA 1.076 54.125 53.050 -0.003 0.000 0.852 567 N CB -0.143 38.334 38.487 -0.017 0.000 0.998 567 N HN 0.301 nan 8.380 nan 0.000 0.424 568 R N -0.519 119.982 120.500 0.001 0.000 2.081 568 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 568 R C 2.134 178.444 176.300 0.018 0.000 1.131 568 R CA 1.655 57.761 56.100 0.009 0.000 0.960 568 R CB -0.744 29.563 30.300 0.012 0.000 0.856 568 R HN 0.323 nan 8.270 nan 0.000 0.436 569 G N 0.152 108.966 108.800 0.023 0.000 2.418 569 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 569 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 569 G C 1.558 176.470 174.900 0.020 0.000 1.158 569 G CA 0.991 46.106 45.100 0.025 0.000 0.771 569 G HN 0.444 nan 8.290 nan 0.000 0.545 570 C N -0.060 119.252 119.300 0.020 0.000 2.413 570 C HA 0.010 4.470 4.460 -0.000 0.000 0.276 570 C C 2.863 177.865 174.990 0.020 0.000 1.248 570 C CA 1.040 60.072 59.018 0.024 0.000 1.742 570 C CB -0.731 27.025 27.740 0.027 0.000 2.017 570 C HN 0.529 nan 8.230 nan 0.000 0.481 571 R N 1.702 122.211 120.500 0.016 0.000 2.081 571 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 571 R C 2.114 178.423 176.300 0.014 0.000 1.131 571 R CA 2.143 58.251 56.100 0.014 0.000 0.960 571 R CB -0.739 29.568 30.300 0.011 0.000 0.856 571 R HN 0.447 nan 8.270 nan 0.000 0.436 572 A N 0.360 123.189 122.820 0.015 0.000 1.877 572 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 572 A C 2.320 179.911 177.584 0.012 0.000 1.186 572 A CA 1.629 53.674 52.037 0.014 0.000 0.620 572 A CB -0.596 18.412 19.000 0.015 0.000 0.822 572 A HN 0.376 nan 8.150 nan 0.000 0.443 573 I N -0.279 120.298 120.570 0.012 0.000 2.226 573 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 573 I C 2.671 178.797 176.117 0.016 0.000 1.100 573 I CA 1.155 62.462 61.300 0.012 0.000 1.374 573 I CB -0.524 37.484 38.000 0.014 0.000 1.057 573 I HN 0.414 nan 8.210 nan 0.000 0.413 574 G N 0.836 109.646 108.800 0.017 0.000 2.418 574 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 574 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 574 G C 1.653 176.560 174.900 0.012 0.000 1.158 574 G CA 0.397 45.506 45.100 0.015 0.000 0.771 574 G HN 0.290 nan 8.290 nan 0.000 0.545 575 L N 0.847 122.077 121.223 0.012 0.000 2.362 575 L HA 0.083 4.423 4.340 -0.000 0.000 0.219 575 L C 2.672 179.550 176.870 0.013 0.000 1.134 575 L CA 0.573 55.420 54.840 0.012 0.000 0.807 575 L CB -0.117 41.949 42.059 0.012 0.000 0.927 575 L HN 0.325 nan 8.230 nan 0.000 0.447 576 G N -1.367 107.442 108.800 0.015 0.000 3.141 576 G HA2 0.305 4.265 3.960 -0.000 0.000 0.218 576 G HA3 0.305 4.265 3.960 -0.000 0.000 0.218 576 G C 1.198 176.110 174.900 0.020 0.000 1.170 576 G CA 0.435 45.545 45.100 0.018 0.000 0.769 576 G HN 0.445 nan 8.290 nan 0.000 0.546 577 G N -1.482 107.328 108.800 0.017 0.000 2.157 577 G HA2 0.305 4.265 3.960 -0.000 0.000 0.239 577 G HA3 0.305 4.265 3.960 -0.000 0.000 0.239 577 G C 0.865 175.777 174.900 0.020 0.000 0.982 577 G CA 0.482 45.593 45.100 0.017 0.000 0.650 577 G HN 2.127 nan 8.290 nan 0.000 0.527 578 G N -1.402 107.410 108.800 0.021 0.000 2.663 578 G HA2 0.512 4.472 3.960 -0.000 0.000 0.686 578 G HA3 0.512 4.472 3.960 -0.000 0.000 0.686 578 G C -0.006 174.910 174.900 0.028 0.000 1.288 578 G CA 0.764 45.879 45.100 0.026 0.000 0.836 578 G HN 2.221 nan 8.290 nan 0.000 0.584 579 A N -0.066 122.775 122.820 0.035 0.000 2.311 579 A HA 0.967 5.287 4.320 -0.000 0.000 0.334 579 A C 0.364 177.973 177.584 0.043 0.000 1.139 579 A CA 0.391 52.446 52.037 0.030 0.000 0.830 579 A CB 1.729 20.744 19.000 0.024 0.000 1.234 579 A HN 1.874 nan 8.150 nan 0.000 0.483 580 S N 0.034 115.757 115.700 0.038 0.000 2.526 580 S HA 0.766 5.236 4.470 -0.000 0.000 0.293 580 S C -0.319 174.304 174.600 0.038 0.000 1.092 580 S CA -0.297 57.930 58.200 0.045 0.000 0.980 580 S CB 1.585 64.814 63.200 0.049 0.000 1.048 580 S HN 1.350 nan 8.310 nan 0.000 0.483 581 S N 2.664 118.386 115.700 0.038 0.000 2.627 581 S HA 0.834 5.304 4.470 -0.000 0.000 0.283 581 S C -1.513 173.102 174.600 0.025 0.000 1.127 581 S CA -1.085 57.132 58.200 0.027 0.000 0.863 581 S CB 1.588 64.799 63.200 0.018 0.000 1.121 581 S HN 0.515 nan 8.310 nan 0.000 0.479 582 R N 0.727 121.237 120.500 0.017 0.000 2.584 582 R HA 0.505 4.845 4.340 -0.000 0.000 0.276 582 R C -1.624 174.680 176.300 0.006 0.000 1.046 582 R CA -0.654 55.454 56.100 0.013 0.000 0.906 582 R CB 1.839 32.147 30.300 0.013 0.000 1.215 582 R HN 0.619 nan 8.270 nan 0.000 0.449 583 V N 4.865 124.782 119.914 0.005 0.000 2.461 583 V HA 0.205 4.325 4.120 -0.000 0.000 0.275 583 V C 1.515 177.607 176.094 -0.003 0.000 1.047 583 V CA -0.090 62.211 62.300 0.001 0.000 0.955 583 V CB 1.204 33.030 31.823 0.004 0.000 0.988 583 V HN 0.626 nan 8.190 nan 0.000 0.471 584 L N 3.962 125.179 121.223 -0.010 0.000 2.463 584 L HA 0.565 4.905 4.340 -0.000 0.000 0.219 584 L C 0.812 177.671 176.870 -0.020 0.000 1.088 584 L CA 0.709 55.538 54.840 -0.019 0.000 0.849 584 L CB 0.055 42.094 42.059 -0.032 0.000 1.012 584 L HN 0.748 nan 8.230 nan 0.000 0.468 585 A N -0.645 122.167 122.820 -0.014 0.000 2.597 585 A HA 0.580 4.900 4.320 -0.000 0.000 0.292 585 A C -1.987 175.598 177.584 0.002 0.000 1.057 585 A CA -0.441 51.590 52.037 -0.011 0.000 0.674 585 A CB 1.613 20.599 19.000 -0.023 0.000 1.278 585 A HN -0.051 nan 8.150 nan 0.000 0.416 586 D N -0.135 120.271 120.400 0.011 0.000 2.616 586 D HA 0.564 5.204 4.640 -0.000 0.000 0.238 586 D C -0.521 175.799 176.300 0.032 0.000 1.354 586 D CA 0.864 54.877 54.000 0.022 0.000 0.970 586 D CB 1.479 42.294 40.800 0.024 0.000 1.369 586 D HN 1.484 nan 8.370 nan 0.000 0.585 587 G N 2.564 111.387 108.800 0.039 0.000 2.193 587 G HA2 0.383 4.343 3.960 -0.000 0.000 0.305 587 G HA3 0.383 4.343 3.960 -0.000 0.000 0.305 587 G C -0.818 174.121 174.900 0.064 0.000 1.427 587 G CA -0.874 44.259 45.100 0.054 0.000 1.137 587 G HN 0.372 nan 8.290 nan 0.000 0.576 588 M N 2.471 122.120 119.600 0.082 0.000 2.228 588 M HA 0.754 5.234 4.480 -0.000 0.000 0.326 588 M C 0.712 177.083 176.300 0.118 0.000 1.122 588 M CA -0.122 55.233 55.300 0.092 0.000 1.161 588 M CB 0.923 33.579 32.600 0.093 0.000 1.437 588 M HN 0.815 nan 8.290 nan 0.000 0.465 589 T N 1.437 116.064 114.554 0.121 0.000 2.901 589 T HA 0.874 5.224 4.350 -0.000 0.000 0.293 589 T C -1.034 173.770 174.700 0.174 0.000 1.084 589 T CA -1.017 61.176 62.100 0.155 0.000 1.008 589 T CB 1.643 70.581 68.868 0.117 0.000 1.170 589 T HN 0.756 nan 8.240 nan 0.000 0.509 590 R N -0.208 120.437 120.500 0.241 0.000 2.564 590 R HA 0.688 5.028 4.340 -0.000 0.000 0.284 590 R C -0.496 176.011 176.300 0.345 0.000 1.031 590 R CA -0.558 55.684 56.100 0.237 0.000 0.904 590 R CB 1.749 32.160 30.300 0.185 0.000 1.199 590 R HN 1.156 nan 8.270 nan 0.000 0.443 591 G N 5.352 114.335 108.800 0.306 0.000 4.160 591 G HA2 0.345 4.305 3.960 -0.000 0.000 0.341 591 G HA3 0.345 4.305 3.960 -0.000 0.000 0.341 591 G C -2.520 172.597 174.900 0.361 0.000 1.510 591 G CA -1.161 44.181 45.100 0.403 0.000 1.011 591 G HN 0.431 nan 8.290 nan 0.000 0.491 592 P HA 0.213 nan 4.420 nan 0.000 0.272 592 P C -0.256 177.106 177.300 0.104 0.000 1.240 592 P CA -0.231 62.988 63.100 0.198 0.000 0.791 592 P CB 2.376 34.193 31.700 0.195 0.000 0.978 593 V N 2.803 122.702 119.914 -0.025 0.000 2.448 593 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 593 V C -0.218 175.751 176.094 -0.208 0.000 1.025 593 V CA -0.673 61.439 62.300 -0.313 0.000 0.859 593 V CB 1.442 33.022 31.823 -0.405 0.000 0.988 593 V HN 0.476 nan 8.190 nan 0.000 0.431 594 V N 4.797 124.562 119.914 -0.249 0.000 3.126 594 V HA 0.808 4.928 4.120 -0.000 0.000 0.314 594 V C -0.657 175.331 176.094 -0.176 0.000 1.138 594 V CA -1.038 61.179 62.300 -0.138 0.000 1.034 594 V CB 2.309 34.094 31.823 -0.062 0.000 1.075 594 V HN 0.937 nan 8.190 nan 0.000 0.442 595 R N 1.536 121.973 120.500 -0.105 0.000 2.725 595 R HA 0.721 5.061 4.340 -0.000 0.000 0.277 595 R C -1.764 174.500 176.300 -0.059 0.000 0.987 595 R CA -0.844 55.200 56.100 -0.094 0.000 0.901 595 R CB 2.175 32.434 30.300 -0.067 0.000 1.207 595 R HN 0.555 nan 8.270 nan 0.000 0.463 596 L N 1.760 122.946 121.223 -0.062 0.000 2.286 596 L HA 0.447 4.787 4.340 -0.000 0.000 0.265 596 L C -1.627 175.227 176.870 -0.027 0.000 1.012 596 L CA -2.476 52.337 54.840 -0.045 0.000 0.818 596 L CB 1.578 43.592 42.059 -0.074 0.000 1.337 596 L HN 0.321 nan 8.230 nan 0.000 0.438 597 P HA -0.063 nan 4.420 nan 0.000 0.215 597 P C -0.127 177.168 177.300 -0.009 0.000 1.153 597 P CA 1.435 64.532 63.100 -0.006 0.000 0.853 597 P CB 0.330 32.032 31.700 0.002 0.000 0.788 598 R N -3.021 117.471 120.500 -0.013 0.000 2.836 598 R HA 0.537 4.876 4.340 -0.000 0.000 0.269 598 R C 0.817 177.105 176.300 -0.020 0.000 1.010 598 R CA -0.468 55.625 56.100 -0.012 0.000 0.930 598 R CB 0.497 30.794 30.300 -0.004 0.000 1.218 598 R HN -0.164 nan 8.270 nan 0.000 0.473 599 A N 0.303 123.113 122.820 -0.016 0.000 1.972 599 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 599 A C 1.822 179.394 177.584 -0.019 0.000 1.169 599 A CA 1.612 53.638 52.037 -0.019 0.000 0.635 599 A CB -0.676 18.319 19.000 -0.009 0.000 0.810 599 A HN 0.714 nan 8.150 nan 0.000 0.446 600 C N -0.172 119.122 119.300 -0.010 0.000 2.419 600 C HA -0.079 4.380 4.460 -0.000 0.000 0.281 600 C C 2.202 177.186 174.990 -0.010 0.000 1.336 600 C CA 1.003 60.019 59.018 -0.004 0.000 1.770 600 C CB -1.045 26.698 27.740 0.005 0.000 1.929 600 C HN 0.599 nan 8.230 nan 0.000 0.509 601 D N 0.918 121.305 120.400 -0.021 0.000 2.137 601 D HA -0.071 4.568 4.640 -0.000 0.000 0.202 601 D C 2.319 178.558 176.300 -0.102 0.000 0.970 601 D CA 1.749 55.726 54.000 -0.038 0.000 0.837 601 D CB -0.631 40.153 40.800 -0.027 0.000 0.981 601 D HN 0.603 nan 8.370 nan 0.000 0.475 602 S N 1.108 116.750 115.700 -0.098 0.000 2.399 602 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 602 S C 2.188 176.722 174.600 -0.110 0.000 1.022 602 S CA 1.079 59.200 58.200 -0.131 0.000 0.983 602 S CB -0.285 62.854 63.200 -0.102 0.000 0.803 602 S HN 0.223 nan 8.310 nan 0.000 0.480 603 A N 1.837 124.620 122.820 -0.062 0.000 1.933 603 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 603 A C 2.207 179.776 177.584 -0.026 0.000 1.175 603 A CA 1.565 53.583 52.037 -0.032 0.000 0.628 603 A CB -0.799 18.195 19.000 -0.010 0.000 0.814 603 A HN 0.723 nan 8.150 nan 0.000 0.444 604 E N -0.087 120.091 120.200 -0.037 0.000 2.072 604 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 604 E C 1.843 178.411 176.600 -0.054 0.000 0.985 604 E CA 1.468 57.870 56.400 0.003 0.000 0.801 604 E CB -0.125 29.599 29.700 0.038 0.000 0.750 604 E HN 0.316 nan 8.360 nan 0.000 0.452 605 V N 1.737 121.470 119.914 -0.302 0.000 2.343 605 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 605 V C 2.565 178.592 176.094 -0.112 0.000 1.051 605 V CA 2.144 64.135 62.300 -0.514 0.000 1.036 605 V CB -0.601 30.781 31.823 -0.734 0.000 0.654 605 V HN 0.291 nan 8.190 nan 0.000 0.451 606 K N 0.357 120.716 120.400 -0.069 0.000 2.032 606 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 606 K C 2.220 178.859 176.600 0.065 0.000 1.048 606 K CA 1.673 57.962 56.287 0.003 0.000 0.927 606 K CB -0.349 32.146 32.500 -0.008 0.000 0.712 606 K HN 0.422 nan 8.250 nan 0.000 0.441 607 A N 0.536 123.401 122.820 0.075 0.000 1.908 607 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 607 A C 1.948 179.626 177.584 0.157 0.000 1.181 607 A CA 1.551 53.646 52.037 0.097 0.000 0.627 607 A CB -1.135 17.922 19.000 0.095 0.000 0.818 607 A HN 0.727 nan 8.150 nan 0.000 0.445 608 W N 0.551 121.865 121.300 0.023 0.000 2.355 608 W HA -0.150 4.510 4.660 -0.000 0.000 0.309 608 W C 1.723 178.266 176.519 0.039 0.000 1.206 608 W CA 1.910 59.296 57.345 0.068 0.000 1.284 608 W CB -0.242 29.337 29.460 0.197 0.000 1.145 608 W HN 0.251 nan 8.180 nan 0.000 0.502 609 L N 0.337 121.797 121.223 0.396 0.000 2.265 609 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 609 L C 1.818 178.724 176.870 0.060 0.000 1.117 609 L CA 1.270 56.250 54.840 0.233 0.000 0.782 609 L CB -0.644 41.541 42.059 0.210 0.000 0.914 609 L HN 0.026 nan 8.230 nan 0.000 0.441 610 E N -0.618 119.599 120.200 0.028 0.000 2.489 610 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 610 E C 0.674 177.232 176.600 -0.070 0.000 1.057 610 E CA 0.072 56.459 56.400 -0.022 0.000 0.866 610 E CB 0.246 29.943 29.700 -0.005 0.000 0.916 610 E HN 0.434 nan 8.360 nan 0.000 0.500 611 T N -1.970 112.511 114.554 -0.121 0.000 2.922 611 T HA 0.138 4.488 4.350 -0.000 0.000 0.285 611 T C 1.428 176.041 174.700 -0.146 0.000 1.005 611 T CA -0.315 61.690 62.100 -0.159 0.000 1.061 611 T CB 1.814 70.534 68.868 -0.246 0.000 1.007 611 T HN -0.030 nan 8.240 nan 0.000 0.502 612 S N 1.326 116.962 115.700 -0.106 0.000 2.399 612 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 612 S C 1.700 176.266 174.600 -0.057 0.000 1.022 612 S CA 0.877 59.050 58.200 -0.044 0.000 0.983 612 S CB -0.519 62.657 63.200 -0.040 0.000 0.803 612 S HN 0.875 nan 8.310 nan 0.000 0.480 613 E N 1.978 122.080 120.200 -0.163 0.000 2.107 613 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 613 E C 2.228 178.577 176.600 -0.418 0.000 0.982 613 E CA 1.166 57.433 56.400 -0.221 0.000 0.809 613 E CB -1.262 28.311 29.700 -0.212 0.000 0.756 613 E HN 0.592 nan 8.360 nan 0.000 0.459 614 G N 0.902 109.272 108.800 -0.716 0.000 2.402 614 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 614 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 614 G C 1.386 175.970 174.900 -0.527 0.000 1.162 614 G CA 0.610 44.916 45.100 -1.323 0.000 0.777 614 G HN 0.285 nan 8.290 nan 0.000 0.539 615 F N 2.452 122.191 119.950 -0.353 0.000 2.186 615 F HA 0.140 4.666 4.527 -0.000 0.000 0.299 615 F C 2.688 178.430 175.800 -0.097 0.000 1.090 615 F CA 1.070 58.974 58.000 -0.161 0.000 1.307 615 F CB -0.165 38.756 39.000 -0.132 0.000 1.019 615 F HN 0.221 nan 8.300 nan 0.000 0.489 616 A N 0.394 123.128 122.820 -0.143 0.000 1.877 616 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 616 A C 2.337 179.828 177.584 -0.154 0.000 1.186 616 A CA 2.528 54.470 52.037 -0.159 0.000 0.620 616 A CB -1.654 17.314 19.000 -0.054 0.000 0.822 616 A HN 0.451 nan 8.150 nan 0.000 0.443 617 V N -1.642 118.206 119.914 -0.110 0.000 2.343 617 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 617 V C 2.182 178.312 176.094 0.060 0.000 1.051 617 V CA 1.740 64.052 62.300 0.019 0.000 1.036 617 V CB -1.002 30.882 31.823 0.103 0.000 0.654 617 V HN 0.413 nan 8.190 nan 0.000 0.451 618 I N 0.788 121.370 120.570 0.019 0.000 2.252 618 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 618 I C 2.625 178.753 176.117 0.017 0.000 1.102 618 I CA 2.249 63.610 61.300 0.102 0.000 1.385 618 I CB -1.224 36.851 38.000 0.125 0.000 1.064 618 I HN 0.467 nan 8.210 nan 0.000 0.414 619 K N 1.107 121.336 120.400 -0.285 0.000 2.063 619 K HA -0.242 4.077 4.320 -0.000 0.000 0.208 619 K C 2.124 178.713 176.600 -0.018 0.000 1.048 619 K CA 1.710 57.830 56.287 -0.279 0.000 0.928 619 K CB -0.086 32.067 32.500 -0.578 0.000 0.713 619 K HN 0.277 nan 8.250 nan 0.000 0.442 620 E N -0.164 120.025 120.200 -0.019 0.000 2.058 620 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 620 E C 1.795 178.442 176.600 0.079 0.000 0.997 620 E CA 1.204 57.625 56.400 0.035 0.000 0.801 620 E CB -0.150 29.570 29.700 0.033 0.000 0.746 620 E HN 0.450 nan 8.360 nan 0.000 0.450 621 A N 0.549 123.435 122.820 0.110 0.000 1.898 621 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 621 A C 2.009 179.662 177.584 0.116 0.000 1.181 621 A CA 1.164 53.268 52.037 0.113 0.000 0.620 621 A CB -0.918 18.170 19.000 0.147 0.000 0.819 621 A HN 0.479 nan 8.150 nan 0.000 0.442 622 F N 1.270 121.234 119.950 0.023 0.000 2.069 622 F HA -0.243 4.284 4.527 -0.001 0.000 0.298 622 F C 1.741 177.544 175.800 0.004 0.000 1.113 622 F CA 2.327 60.333 58.000 0.010 0.000 1.214 622 F CB -0.118 38.911 39.000 0.047 0.000 0.978 622 F HN 0.246 nan 8.300 nan 0.000 0.474 623 D N -0.386 120.194 120.400 0.301 0.000 2.264 623 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 623 D C 2.444 178.775 176.300 0.052 0.000 0.966 623 D CA 1.317 55.428 54.000 0.186 0.000 0.864 623 D CB -0.622 40.269 40.800 0.152 0.000 0.933 623 D HN 0.385 nan 8.370 nan 0.000 0.499 624 S N -0.144 115.572 115.700 0.026 0.000 2.469 624 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 624 S C 1.861 176.440 174.600 -0.034 0.000 0.998 624 S CA 1.498 59.696 58.200 -0.003 0.000 0.957 624 S CB -0.787 62.416 63.200 0.004 0.000 0.764 624 S HN 0.349 nan 8.310 nan 0.000 0.514 625 T N -1.955 112.556 114.554 -0.071 0.000 3.100 625 T HA 0.332 4.682 4.350 -0.000 0.000 0.253 625 T C 0.546 175.209 174.700 -0.060 0.000 1.118 625 T CA 0.297 62.342 62.100 -0.092 0.000 1.058 625 T CB -0.127 68.635 68.868 -0.176 0.000 0.953 625 T HN 0.376 nan 8.240 nan 0.000 0.515 626 S N -0.752 114.927 115.700 -0.035 0.000 2.565 626 S HA 0.528 4.998 4.470 -0.000 0.000 0.269 626 S C -0.179 174.394 174.600 -0.045 0.000 1.153 626 S CA -0.929 57.271 58.200 0.001 0.000 0.835 626 S CB 1.582 64.815 63.200 0.056 0.000 1.122 626 S HN 0.166 nan 8.310 nan 0.000 0.462 627 R N 0.881 121.300 120.500 -0.135 0.000 2.276 627 R HA 0.322 4.662 4.340 -0.000 0.000 0.196 627 R C 0.545 176.470 176.300 -0.625 0.000 0.961 627 R CA 1.100 56.943 56.100 -0.429 0.000 1.024 627 R CB -0.066 29.824 30.300 -0.683 0.000 0.940 627 R HN 0.616 nan 8.270 nan 0.000 0.480 628 F N -0.663 119.307 119.950 0.034 0.000 2.667 628 F HA 0.391 4.917 4.527 -0.000 0.000 0.288 628 F C 0.948 176.793 175.800 0.075 0.000 1.086 628 F CA -0.588 57.440 58.000 0.046 0.000 1.297 628 F CB 0.015 39.035 39.000 0.034 0.000 1.059 628 F HN -0.188 nan 8.300 nan 0.000 0.624 629 A N 1.643 124.619 122.820 0.259 0.000 2.476 629 A HA 0.484 4.804 4.320 -0.000 0.000 0.275 629 A C -0.190 177.565 177.584 0.285 0.000 1.133 629 A CA 0.111 52.311 52.037 0.272 0.000 0.797 629 A CB -0.294 18.850 19.000 0.239 0.000 1.081 629 A HN 0.208 nan 8.150 nan 0.000 0.510 630 R N 1.930 122.581 120.500 0.252 0.000 2.435 630 R HA 0.408 4.748 4.340 -0.000 0.000 0.308 630 R C -0.914 175.456 176.300 0.116 0.000 0.975 630 R CA -0.710 55.499 56.100 0.182 0.000 0.867 630 R CB 1.134 31.508 30.300 0.123 0.000 1.171 630 R HN 0.694 nan 8.270 nan 0.000 0.470 631 L N 3.147 124.382 121.223 0.020 0.000 2.513 631 L HA 0.062 4.402 4.340 -0.000 0.000 0.272 631 L C 0.631 177.545 176.870 0.074 0.000 1.187 631 L CA 0.982 55.719 54.840 -0.171 0.000 0.895 631 L CB 0.748 42.555 42.059 -0.420 0.000 1.147 631 L HN 0.623 nan 8.230 nan 0.000 0.483 632 Q N 4.384 124.239 119.800 0.091 0.000 2.387 632 Q HA 0.152 4.492 4.340 -0.000 0.000 0.212 632 Q C -0.132 175.943 176.000 0.125 0.000 0.925 632 Q CA 0.826 56.705 55.803 0.127 0.000 0.901 632 Q CB 0.294 29.064 28.738 0.053 0.000 1.020 632 Q HN 0.799 nan 8.270 nan 0.000 0.545 633 K N -1.310 119.153 120.400 0.105 0.000 2.617 633 K HA 0.524 4.844 4.320 -0.000 0.000 0.293 633 K C -1.614 175.017 176.600 0.051 0.000 1.034 633 K CA -0.780 55.493 56.287 -0.024 0.000 0.884 633 K CB 0.843 33.266 32.500 -0.129 0.000 1.541 633 K HN -0.138 nan 8.250 nan 0.000 0.409 634 L N 1.236 122.444 121.223 -0.024 0.000 2.401 634 L HA 0.463 4.803 4.340 -0.000 0.000 0.266 634 L C -1.525 175.376 176.870 0.051 0.000 0.991 634 L CA -0.342 54.486 54.840 -0.020 0.000 0.818 634 L CB 1.693 43.736 42.059 -0.026 0.000 1.321 634 L HN 0.843 nan 8.230 nan 0.000 0.413 635 H N 1.285 120.342 119.070 -0.020 0.000 2.800 635 H HA 0.654 5.210 4.556 -0.000 0.000 0.322 635 H C -1.369 174.035 175.328 0.127 0.000 0.979 635 H CA -0.459 55.616 56.048 0.045 0.000 1.277 635 H CB 1.240 31.037 29.762 0.060 0.000 1.484 635 H HN 0.533 nan 8.280 nan 0.000 0.512 636 T N 4.147 118.814 114.554 0.189 0.000 2.797 636 T HA 0.558 4.908 4.350 -0.000 0.000 0.279 636 T C -0.558 174.114 174.700 -0.047 0.000 0.991 636 T CA -0.587 61.522 62.100 0.016 0.000 0.979 636 T CB 0.919 69.800 68.868 0.022 0.000 0.943 636 T HN 0.540 nan 8.240 nan 0.000 0.444 637 S N 2.304 117.912 115.700 -0.154 0.000 2.548 637 S HA 0.638 5.108 4.470 -0.000 0.000 0.286 637 S C -0.627 173.933 174.600 -0.067 0.000 1.098 637 S CA -0.724 57.395 58.200 -0.135 0.000 0.930 637 S CB 1.206 64.260 63.200 -0.243 0.000 1.070 637 S HN 0.553 nan 8.310 nan 0.000 0.480 638 I N 1.809 122.368 120.570 -0.020 0.000 2.607 638 I HA 0.669 4.839 4.170 -0.000 0.000 0.305 638 I C -0.133 176.007 176.117 0.038 0.000 0.995 638 I CA -0.761 60.546 61.300 0.013 0.000 1.148 638 I CB 1.793 39.790 38.000 -0.004 0.000 1.323 638 I HN 0.741 nan 8.210 nan 0.000 0.461 639 A N 4.448 127.315 122.820 0.080 0.000 2.984 639 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 639 A C 0.270 177.885 177.584 0.052 0.000 1.142 639 A CA 0.136 52.220 52.037 0.078 0.000 0.772 639 A CB 0.341 19.436 19.000 0.159 0.000 1.195 639 A HN 1.104 nan 8.150 nan 0.000 0.459 640 G N 2.736 111.549 108.800 0.022 0.000 2.561 640 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.289 640 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.289 640 G C 1.139 176.035 174.900 -0.007 0.000 1.169 640 G CA 0.903 46.008 45.100 0.009 0.000 0.980 640 G HN 1.628 nan 8.290 nan 0.000 0.550 641 R N 1.333 121.825 120.500 -0.014 0.000 2.313 641 R HA 0.150 4.490 4.340 -0.000 0.000 0.199 641 R C 0.269 176.530 176.300 -0.065 0.000 0.958 641 R CA 0.685 56.763 56.100 -0.035 0.000 1.047 641 R CB -0.252 30.032 30.300 -0.028 0.000 0.955 641 R HN 0.380 nan 8.270 nan 0.000 0.481 642 N N 1.237 119.899 118.700 -0.063 0.000 2.524 642 N HA 0.246 4.986 4.740 -0.000 0.000 0.283 642 N C -1.329 174.066 175.510 -0.192 0.000 1.142 642 N CA -0.464 52.491 53.050 -0.158 0.000 0.984 642 N CB 1.543 39.949 38.487 -0.135 0.000 1.155 642 N HN 0.084 nan 8.380 nan 0.000 0.467 643 L N 2.313 123.334 121.223 -0.338 0.000 2.409 643 L HA 0.452 4.791 4.340 -0.000 0.000 0.272 643 L C -1.805 174.790 176.870 -0.458 0.000 0.980 643 L CA -0.632 54.050 54.840 -0.265 0.000 0.826 643 L CB 0.935 42.887 42.059 -0.178 0.000 1.268 643 L HN 0.432 nan 8.230 nan 0.000 0.407 644 Y N 5.596 125.748 120.300 -0.246 0.000 2.328 644 Y HA 0.631 5.181 4.550 -0.000 0.000 0.337 644 Y C -0.196 175.578 175.900 -0.211 0.000 0.966 644 Y CA -0.507 57.403 58.100 -0.317 0.000 1.136 644 Y CB 1.475 39.448 38.460 -0.812 0.000 1.170 644 Y HN 0.371 nan 8.280 nan 0.000 0.470 645 I N 4.233 124.864 120.570 0.102 0.000 2.382 645 I HA 0.395 4.565 4.170 -0.000 0.000 0.285 645 I C -0.252 176.002 176.117 0.229 0.000 1.007 645 I CA -0.775 60.572 61.300 0.077 0.000 1.142 645 I CB 1.524 39.504 38.000 -0.034 0.000 1.289 645 I HN 0.463 nan 8.210 nan 0.000 0.453 646 R N 6.270 126.910 120.500 0.234 0.000 2.204 646 R HA 0.419 4.759 4.340 -0.000 0.000 0.341 646 R C -1.252 175.126 176.300 0.130 0.000 1.035 646 R CA -0.499 55.757 56.100 0.260 0.000 0.887 646 R CB 0.439 30.839 30.300 0.165 0.000 1.114 646 R HN 0.331 nan 8.270 nan 0.000 0.473 647 F N 2.442 122.477 119.950 0.141 0.000 2.427 647 F HA 0.207 4.734 4.527 -0.001 0.000 0.352 647 F C 0.638 176.454 175.800 0.028 0.000 1.100 647 F CA 0.089 58.125 58.000 0.059 0.000 1.191 647 F CB 1.335 40.381 39.000 0.076 0.000 1.128 647 F HN 0.379 nan 8.300 nan 0.000 0.533 648 Q N 2.581 122.458 119.800 0.129 0.000 2.321 648 Q HA 0.579 4.919 4.340 -0.000 0.000 0.270 648 Q C -1.212 174.807 176.000 0.031 0.000 1.032 648 Q CA -0.496 55.360 55.803 0.088 0.000 0.784 648 Q CB 1.900 30.674 28.738 0.060 0.000 1.264 648 Q HN 0.717 nan 8.270 nan 0.000 0.448 649 S N 3.012 118.750 115.700 0.064 0.000 2.556 649 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 649 S C -1.114 173.557 174.600 0.119 0.000 1.135 649 S CA -0.840 57.402 58.200 0.070 0.000 0.858 649 S CB 1.242 64.498 63.200 0.093 0.000 1.114 649 S HN 0.638 nan 8.310 nan 0.000 0.468 650 R N 1.402 121.973 120.500 0.119 0.000 2.707 650 R HA 0.409 4.749 4.340 -0.000 0.000 0.270 650 R C 0.541 176.933 176.300 0.153 0.000 1.083 650 R CA 0.293 56.463 56.100 0.117 0.000 1.182 650 R CB 0.638 31.005 30.300 0.112 0.000 1.084 650 R HN 0.894 nan 8.270 nan 0.000 0.528 651 S N -1.677 114.098 115.700 0.126 0.000 3.022 651 S HA 0.228 4.698 4.470 -0.000 0.000 0.247 651 S C 0.755 175.394 174.600 0.065 0.000 0.845 651 S CA 0.037 58.312 58.200 0.125 0.000 1.104 651 S CB 0.134 63.386 63.200 0.088 0.000 1.228 651 S HN 1.020 nan 8.310 nan 0.000 0.532 652 G N 3.000 111.858 108.800 0.097 0.000 2.596 652 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.295 652 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.295 652 G C 0.069 174.922 174.900 -0.079 0.000 1.240 652 G CA 0.750 45.847 45.100 -0.005 0.000 0.985 652 G HN 0.472 nan 8.290 nan 0.000 0.555 653 D N 1.983 122.274 120.400 -0.181 0.000 2.328 653 D HA 0.407 5.047 4.640 -0.000 0.000 0.221 653 D C 1.272 177.497 176.300 -0.124 0.000 1.072 653 D CA 0.880 54.801 54.000 -0.132 0.000 0.850 653 D CB 0.115 40.831 40.800 -0.140 0.000 0.922 653 D HN 0.746 nan 8.370 nan 0.000 0.516 654 A N 0.886 123.630 122.820 -0.128 0.000 2.293 654 A HA 0.263 4.583 4.320 -0.000 0.000 0.302 654 A C 1.267 178.819 177.584 -0.053 0.000 1.119 654 A CA -0.465 51.516 52.037 -0.094 0.000 0.823 654 A CB 1.218 20.163 19.000 -0.091 0.000 1.097 654 A HN -0.006 nan 8.150 nan 0.000 0.491 655 M N 1.278 120.848 119.600 -0.051 0.000 2.159 655 M HA -0.024 4.455 4.480 -0.000 0.000 0.263 655 M C 1.363 177.665 176.300 0.004 0.000 1.063 655 M CA 2.580 57.861 55.300 -0.031 0.000 1.110 655 M CB -0.832 31.741 32.600 -0.045 0.000 1.374 655 M HN 1.709 nan 8.290 nan 0.000 0.411 656 G N 0.120 108.923 108.800 0.004 0.000 2.176 656 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.253 656 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.253 656 G C 0.745 175.671 174.900 0.043 0.000 0.979 656 G CA 0.865 45.985 45.100 0.032 0.000 0.641 656 G HN 0.487 nan 8.290 nan 0.000 0.530 657 M N 0.964 120.584 119.600 0.033 0.000 2.082 657 M HA -0.035 4.445 4.480 -0.000 0.000 0.258 657 M C 2.294 178.607 176.300 0.023 0.000 1.069 657 M CA 2.784 58.106 55.300 0.038 0.000 1.102 657 M CB -0.393 32.227 32.600 0.033 0.000 1.336 657 M HN 0.310 nan 8.290 nan 0.000 0.404 658 N N -0.257 118.448 118.700 0.007 0.000 2.106 658 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 658 N C 1.771 177.268 175.510 -0.023 0.000 1.029 658 N CA 1.858 54.903 53.050 -0.008 0.000 0.848 658 N CB -0.614 37.868 38.487 -0.010 0.000 1.007 658 N HN 0.516 nan 8.380 nan 0.000 0.423 659 M N 0.413 120.007 119.600 -0.010 0.000 2.080 659 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 659 M C 1.356 177.620 176.300 -0.060 0.000 1.068 659 M CA 1.523 56.812 55.300 -0.018 0.000 1.109 659 M CB 0.034 32.653 32.600 0.033 0.000 1.342 659 M HN -0.036 nan 8.290 nan 0.000 0.405 660 I N 0.072 120.652 120.570 0.017 0.000 2.252 660 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 660 I C 2.450 178.536 176.117 -0.052 0.000 1.102 660 I CA 1.227 62.575 61.300 0.081 0.000 1.385 660 I CB -1.718 36.404 38.000 0.202 0.000 1.064 660 I HN 0.313 nan 8.210 nan 0.000 0.414 661 S N 0.486 116.159 115.700 -0.046 0.000 2.368 661 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 661 S C 2.025 176.532 174.600 -0.155 0.000 1.030 661 S CA 1.260 59.416 58.200 -0.073 0.000 0.999 661 S CB -0.170 63.011 63.200 -0.033 0.000 0.844 661 S HN 0.409 nan 8.310 nan 0.000 0.459 662 K N 0.903 121.201 120.400 -0.169 0.000 2.026 662 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 662 K C 2.257 178.653 176.600 -0.340 0.000 1.048 662 K CA 1.353 57.522 56.287 -0.197 0.000 0.929 662 K CB -0.559 31.851 32.500 -0.150 0.000 0.713 662 K HN 0.386 nan 8.250 nan 0.000 0.439 663 G N -0.238 108.205 108.800 -0.595 0.000 2.408 663 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 663 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 663 G C 1.382 175.706 174.900 -0.959 0.000 1.150 663 G CA 1.261 45.664 45.100 -1.162 0.000 0.776 663 G HN 0.325 nan 8.290 nan 0.000 0.542 664 T N 0.384 114.556 114.554 -0.636 0.000 2.746 664 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 664 T C 2.108 176.615 174.700 -0.321 0.000 1.039 664 T CA 1.467 63.243 62.100 -0.539 0.000 1.142 664 T CB -0.128 68.467 68.868 -0.455 0.000 0.866 664 T HN 0.448 nan 8.240 nan 0.000 0.444 665 E N 0.539 120.604 120.200 -0.224 0.000 2.085 665 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 665 E C 2.327 178.873 176.600 -0.089 0.000 0.994 665 E CA 0.870 57.196 56.400 -0.123 0.000 0.801 665 E CB 0.110 29.747 29.700 -0.104 0.000 0.743 665 E HN 0.096 nan 8.360 nan 0.000 0.453 666 K N -0.086 120.240 120.400 -0.124 0.000 2.057 666 K HA -0.067 4.252 4.320 -0.000 0.000 0.206 666 K C 1.983 178.598 176.600 0.025 0.000 1.050 666 K CA 1.062 57.314 56.287 -0.059 0.000 0.935 666 K CB -0.319 32.125 32.500 -0.094 0.000 0.715 666 K HN 0.137 nan 8.250 nan 0.000 0.439 667 A N 1.202 124.051 122.820 0.047 0.000 1.933 667 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 667 A C 2.307 180.039 177.584 0.247 0.000 1.175 667 A CA 1.137 53.305 52.037 0.217 0.000 0.628 667 A CB -0.532 18.711 19.000 0.404 0.000 0.814 667 A HN 0.208 nan 8.150 nan 0.000 0.444 668 L N -0.555 120.769 121.223 0.168 0.000 2.093 668 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 668 L C 2.828 179.798 176.870 0.167 0.000 1.085 668 L CA 1.376 56.329 54.840 0.189 0.000 0.755 668 L CB -0.450 41.679 42.059 0.116 0.000 0.904 668 L HN 0.316 nan 8.230 nan 0.000 0.435 669 S N -0.157 115.608 115.700 0.108 0.000 2.368 669 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 669 S C 1.934 176.635 174.600 0.169 0.000 1.030 669 S CA 1.556 59.818 58.200 0.104 0.000 0.999 669 S CB -0.161 63.068 63.200 0.048 0.000 0.844 669 S HN 0.244 nan 8.310 nan 0.000 0.459 670 K N 1.703 122.213 120.400 0.184 0.000 2.057 670 K HA 0.025 4.345 4.320 -0.000 0.000 0.206 670 K C 1.906 178.700 176.600 0.323 0.000 1.050 670 K CA 0.946 57.375 56.287 0.236 0.000 0.935 670 K CB -0.839 31.816 32.500 0.258 0.000 0.715 670 K HN 0.231 nan 8.250 nan 0.000 0.439 671 L N 1.103 122.514 121.223 0.315 0.000 2.042 671 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 671 L C 2.341 179.374 176.870 0.272 0.000 1.076 671 L CA 2.102 57.118 54.840 0.293 0.000 0.749 671 L CB -0.931 41.289 42.059 0.267 0.000 0.893 671 L HN 0.516 nan 8.230 nan 0.000 0.432 672 H N -0.371 118.785 119.070 0.143 0.000 2.456 672 H HA -0.156 4.400 4.556 -0.000 0.000 0.296 672 H C 1.869 177.208 175.328 0.018 0.000 1.079 672 H CA 1.782 57.882 56.048 0.087 0.000 1.322 672 H CB 0.357 30.152 29.762 0.055 0.000 1.388 672 H HN 0.571 nan 8.280 nan 0.000 0.538 673 E N -0.464 119.736 120.200 -0.001 0.000 2.150 673 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 673 E C 1.669 178.023 176.600 -0.411 0.000 0.985 673 E CA 1.020 57.301 56.400 -0.199 0.000 0.814 673 E CB -0.008 29.570 29.700 -0.203 0.000 0.752 673 E HN 0.585 nan 8.360 nan 0.000 0.466 674 Y N -1.045 119.057 120.300 -0.330 0.000 2.365 674 Y HA 0.022 4.571 4.550 -0.000 0.000 0.293 674 Y C 0.604 175.898 175.900 -1.011 0.000 1.119 674 Y CA 0.487 58.175 58.100 -0.687 0.000 1.203 674 Y CB 0.421 38.293 38.460 -0.981 0.000 1.026 674 Y HN -0.099 nan 8.280 nan 0.000 0.549 675 F N 1.075 120.900 119.950 -0.209 0.000 2.550 675 F HA 0.347 4.874 4.527 0.000 0.000 0.348 675 F C -1.857 173.741 175.800 -0.337 0.000 1.219 675 F CA -2.570 55.292 58.000 -0.230 0.000 1.203 675 F CB 0.961 39.839 39.000 -0.202 0.000 1.436 675 F HN -0.154 nan 8.300 nan 0.000 0.541 676 P HA -0.182 nan 4.420 nan 0.000 0.221 676 P C 0.619 177.778 177.300 -0.234 0.000 1.145 676 P CA 1.453 64.227 63.100 -0.543 0.000 0.795 676 P CB 0.341 31.850 31.700 -0.318 0.000 0.775 677 E N -0.887 119.274 120.200 -0.065 0.000 2.502 677 E HA 0.047 4.397 4.350 -0.000 0.000 0.194 677 E C 1.109 177.746 176.600 0.062 0.000 1.062 677 E CA -0.223 56.188 56.400 0.018 0.000 0.867 677 E CB -0.218 29.495 29.700 0.021 0.000 0.888 677 E HN 0.310 nan 8.360 nan 0.000 0.510 678 M N 2.202 121.856 119.600 0.090 0.000 2.217 678 M HA -0.007 4.473 4.480 -0.000 0.000 0.352 678 M C -0.262 176.147 176.300 0.180 0.000 1.376 678 M CA 0.224 55.596 55.300 0.120 0.000 1.107 678 M CB 0.643 33.326 32.600 0.138 0.000 1.723 678 M HN -0.136 nan 8.290 nan 0.000 0.461 679 Q N 5.679 125.525 119.800 0.076 0.000 2.290 679 Q HA 0.419 4.759 4.340 -0.000 0.000 0.259 679 Q C -1.479 174.526 176.000 0.008 0.000 0.941 679 Q CA -0.519 55.309 55.803 0.041 0.000 0.912 679 Q CB 1.016 29.762 28.738 0.012 0.000 1.244 679 Q HN 0.822 nan 8.270 nan 0.000 0.441 680 I N 6.185 126.749 120.570 -0.010 0.000 2.291 680 I HA 0.006 4.175 4.170 -0.000 0.000 0.292 680 I C 0.878 176.979 176.117 -0.027 0.000 1.064 680 I CA -0.137 61.152 61.300 -0.018 0.000 1.269 680 I CB 0.718 38.701 38.000 -0.028 0.000 1.418 680 I HN 0.773 nan 8.210 nan 0.000 0.485 681 L N 5.910 127.113 121.223 -0.033 0.000 2.068 681 L HA 0.190 4.530 4.340 -0.000 0.000 0.204 681 L C 0.924 177.787 176.870 -0.011 0.000 1.076 681 L CA 0.681 55.505 54.840 -0.026 0.000 0.753 681 L CB 0.086 42.122 42.059 -0.038 0.000 0.910 681 L HN 0.731 nan 8.230 nan 0.000 0.439 682 A N -1.846 120.973 122.820 -0.003 0.000 2.540 682 A HA 0.320 4.640 4.320 -0.000 0.000 0.297 682 A C 0.098 177.702 177.584 0.032 0.000 1.056 682 A CA -0.470 51.577 52.037 0.017 0.000 0.700 682 A CB 1.210 20.230 19.000 0.033 0.000 1.280 682 A HN -0.181 nan 8.150 nan 0.000 0.398 683 V N 1.439 121.370 119.914 0.028 0.000 2.594 683 V HA 0.006 4.126 4.120 -0.000 0.000 0.253 683 V C 1.021 177.158 176.094 0.072 0.000 1.069 683 V CA 2.675 64.995 62.300 0.034 0.000 1.082 683 V CB 0.176 32.001 31.823 0.003 0.000 0.680 683 V HN 1.117 nan 8.190 nan 0.000 0.469 684 S N -0.585 115.162 115.700 0.079 0.000 2.640 684 S HA 0.610 5.080 4.470 -0.000 0.000 0.320 684 S C 0.507 175.187 174.600 0.133 0.000 1.097 684 S CA -0.033 58.235 58.200 0.114 0.000 1.092 684 S CB 1.226 64.483 63.200 0.094 0.000 0.988 684 S HN 0.463 nan 8.310 nan 0.000 0.470 685 G N 3.068 111.986 108.800 0.196 0.000 3.523 685 G HA2 0.203 4.163 3.960 -0.000 0.000 0.270 685 G HA3 0.203 4.163 3.960 -0.000 0.000 0.270 685 G C 0.408 175.482 174.900 0.289 0.000 1.134 685 G CA -0.563 44.686 45.100 0.248 0.000 0.825 685 G HN 0.802 nan 8.290 nan 0.000 0.534 686 N N -1.576 117.253 118.700 0.216 0.000 2.800 686 N HA -0.227 4.513 4.740 -0.000 0.000 0.250 686 N C 0.299 175.941 175.510 0.220 0.000 1.078 686 N CA 0.777 53.931 53.050 0.173 0.000 0.804 686 N CB -1.592 36.969 38.487 0.124 0.000 1.135 686 N HN 0.517 nan 8.380 nan 0.000 0.565 687 Y N -0.217 120.153 120.300 0.117 0.000 2.468 687 Y HA 0.244 4.794 4.550 -0.001 0.000 0.268 687 Y C 1.718 177.678 175.900 0.100 0.000 1.177 687 Y CA -0.055 58.094 58.100 0.082 0.000 1.265 687 Y CB -0.023 38.520 38.460 0.139 0.000 1.103 687 Y HN 0.360 nan 8.280 nan 0.000 0.522 688 C N -0.916 118.461 119.300 0.129 0.000 2.442 688 C HA -0.039 4.421 4.460 -0.000 0.000 0.279 688 C C 1.185 176.177 174.990 0.004 0.000 1.237 688 C CA 0.981 60.047 59.018 0.079 0.000 1.722 688 C CB -1.196 26.612 27.740 0.113 0.000 2.056 688 C HN 0.332 nan 8.230 nan 0.000 0.469 689 T N 0.649 115.210 114.554 0.012 0.000 2.855 689 T HA 0.423 4.773 4.350 -0.000 0.000 0.281 689 T C -1.141 173.593 174.700 0.057 0.000 1.007 689 T CA 0.077 62.204 62.100 0.045 0.000 1.009 689 T CB 1.519 70.407 68.868 0.032 0.000 0.983 689 T HN 0.333 nan 8.240 nan 0.000 0.455 690 D N 1.772 122.212 120.400 0.067 0.000 2.303 690 D HA 0.341 4.980 4.640 -0.000 0.000 0.236 690 D C -0.112 176.221 176.300 0.055 0.000 1.068 690 D CA -0.500 53.538 54.000 0.063 0.000 0.830 690 D CB 0.443 41.283 40.800 0.067 0.000 1.109 690 D HN 0.491 nan 8.370 nan 0.000 0.496 691 K N 0.965 121.397 120.400 0.053 0.000 3.160 691 K HA -0.230 4.090 4.320 -0.000 0.000 0.280 691 K C -0.677 175.944 176.600 0.034 0.000 1.154 691 K CA 0.713 57.026 56.287 0.044 0.000 0.822 691 K CB -0.971 31.555 32.500 0.044 0.000 1.239 691 K HN 0.331 nan 8.250 nan 0.000 0.489 692 K N -0.011 120.409 120.400 0.034 0.000 2.502 692 K HA 0.359 4.679 4.320 -0.000 0.000 0.257 692 K C -2.716 173.896 176.600 0.021 0.000 0.938 692 K CA -1.949 54.353 56.287 0.025 0.000 0.819 692 K CB 1.618 34.135 32.500 0.030 0.000 1.333 692 K HN -0.222 nan 8.250 nan 0.000 0.434 693 P HA 0.293 nan 4.420 nan 0.000 0.271 693 P C -1.366 175.941 177.300 0.012 0.000 1.216 693 P CA -0.386 62.714 63.100 0.000 0.000 0.771 693 P CB 1.092 32.779 31.700 -0.022 0.000 0.864 694 A N 2.050 124.884 122.820 0.024 0.000 2.532 694 A HA 0.542 4.862 4.320 -0.000 0.000 0.296 694 A C 0.819 178.443 177.584 0.067 0.000 1.058 694 A CA -0.096 51.962 52.037 0.035 0.000 0.729 694 A CB 0.981 19.998 19.000 0.029 0.000 1.285 694 A HN 0.401 nan 8.150 nan 0.000 0.396 695 A N 1.868 124.732 122.820 0.073 0.000 1.978 695 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 695 A C 1.802 179.480 177.584 0.157 0.000 1.170 695 A CA 1.842 53.962 52.037 0.138 0.000 0.636 695 A CB -0.608 18.463 19.000 0.119 0.000 0.810 695 A HN 1.274 nan 8.150 nan 0.000 0.448 696 I N -0.110 120.502 120.570 0.070 0.000 2.264 696 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 696 I C 1.847 177.984 176.117 0.034 0.000 1.111 696 I CA 1.653 62.961 61.300 0.013 0.000 1.382 696 I CB -0.168 37.751 38.000 -0.136 0.000 1.060 696 I HN 0.306 nan 8.210 nan 0.000 0.418 697 N N 0.314 119.055 118.700 0.069 0.000 2.188 697 N HA -0.239 4.501 4.740 -0.000 0.000 0.184 697 N C 1.448 177.055 175.510 0.162 0.000 1.018 697 N CA 1.408 54.513 53.050 0.091 0.000 0.858 697 N CB -0.598 37.949 38.487 0.100 0.000 0.989 697 N HN 0.622 nan 8.380 nan 0.000 0.426 698 W N 1.456 122.756 121.300 0.002 0.000 2.381 698 W HA -0.050 4.611 4.660 0.001 0.000 0.301 698 W C 1.408 177.927 176.519 0.001 0.000 1.205 698 W CA 0.804 58.156 57.345 0.011 0.000 1.285 698 W CB -0.102 29.374 29.460 0.027 0.000 1.133 698 W HN -0.022 nan 8.180 nan 0.000 0.521 699 I N 0.438 121.025 120.570 0.028 0.000 2.400 699 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 699 I C 1.979 178.021 176.117 -0.125 0.000 1.109 699 I CA 1.222 62.447 61.300 -0.125 0.000 1.425 699 I CB -0.413 37.589 38.000 0.003 0.000 1.094 699 I HN -0.112 nan 8.210 nan 0.000 0.425 700 E N 0.763 120.927 120.200 -0.061 0.000 2.452 700 E HA 0.237 4.587 4.350 -0.000 0.000 0.197 700 E C 0.770 177.335 176.600 -0.058 0.000 1.022 700 E CA 0.360 56.721 56.400 -0.065 0.000 0.890 700 E CB 0.502 30.180 29.700 -0.037 0.000 0.918 700 E HN 0.442 nan 8.360 nan 0.000 0.496 701 G N 1.939 110.713 108.800 -0.044 0.000 2.758 701 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.686 701 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.686 701 G C -0.672 174.234 174.900 0.010 0.000 1.389 701 G CA -0.278 44.808 45.100 -0.023 0.000 0.845 701 G HN 0.179 nan 8.290 nan 0.000 0.572 702 R N 0.554 121.072 120.500 0.030 0.000 2.536 702 R HA 0.586 4.926 4.340 -0.000 0.000 0.269 702 R C 0.973 177.303 176.300 0.050 0.000 1.113 702 R CA 0.783 56.909 56.100 0.043 0.000 0.948 702 R CB 1.086 31.419 30.300 0.054 0.000 1.237 702 R HN 2.807 nan 8.270 nan 0.000 0.441 703 G N 3.357 112.187 108.800 0.051 0.000 2.536 703 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.280 703 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.280 703 G C -0.968 173.954 174.900 0.037 0.000 1.152 703 G CA 0.148 45.277 45.100 0.049 0.000 0.970 703 G HN 0.517 nan 8.290 nan 0.000 0.549 704 K N 0.913 121.335 120.400 0.037 0.000 2.211 704 K HA 0.592 4.912 4.320 -0.000 0.000 0.275 704 K C -0.570 176.042 176.600 0.021 0.000 1.024 704 K CA -0.110 56.192 56.287 0.025 0.000 0.887 704 K CB 1.553 34.066 32.500 0.022 0.000 1.084 704 K HN 0.376 nan 8.250 nan 0.000 0.463 705 S N 2.060 117.763 115.700 0.004 0.000 2.429 705 S HA 0.412 4.881 4.470 -0.000 0.000 0.302 705 S C -0.452 174.142 174.600 -0.009 0.000 1.115 705 S CA -0.843 57.351 58.200 -0.011 0.000 1.095 705 S CB 1.001 64.179 63.200 -0.037 0.000 0.987 705 S HN 0.255 nan 8.310 nan 0.000 0.474 706 V N 3.229 123.140 119.914 -0.004 0.000 2.914 706 V HA 0.715 4.835 4.120 -0.000 0.000 0.314 706 V C -0.501 175.592 176.094 -0.001 0.000 1.084 706 V CA -0.765 61.534 62.300 -0.001 0.000 0.963 706 V CB 2.100 33.926 31.823 0.005 0.000 1.025 706 V HN 0.590 nan 8.190 nan 0.000 0.432 707 V N 3.275 123.190 119.914 0.002 0.000 2.841 707 V HA 0.860 4.980 4.120 -0.000 0.000 0.310 707 V C -0.728 175.373 176.094 0.012 0.000 1.090 707 V CA -0.235 62.069 62.300 0.008 0.000 0.930 707 V CB 1.748 33.576 31.823 0.009 0.000 1.014 707 V HN 1.336 nan 8.190 nan 0.000 0.425 708 C N 4.049 123.354 119.300 0.009 0.000 3.090 708 C HA 1.033 5.492 4.460 -0.000 0.000 0.305 708 C C -1.002 173.975 174.990 -0.022 0.000 1.292 708 C CA -0.364 58.656 59.018 0.002 0.000 1.482 708 C CB 1.311 29.049 27.740 -0.003 0.000 1.897 708 C HN 1.166 nan 8.230 nan 0.000 0.469 709 E N 1.488 121.668 120.200 -0.034 0.000 2.407 709 E HA 0.783 5.133 4.350 -0.000 0.000 0.279 709 E C -1.174 175.368 176.600 -0.096 0.000 1.012 709 E CA -0.710 55.617 56.400 -0.122 0.000 0.800 709 E CB 1.697 31.386 29.700 -0.019 0.000 1.276 709 E HN 1.967 nan 8.360 nan 0.000 0.452 710 A N 0.688 123.394 122.820 -0.190 0.000 2.601 710 A HA 0.627 4.947 4.320 -0.000 0.000 0.291 710 A C -1.679 175.850 177.584 -0.091 0.000 1.075 710 A CA -0.677 51.311 52.037 -0.081 0.000 0.671 710 A CB 1.898 20.865 19.000 -0.055 0.000 1.277 710 A HN 0.378 nan 8.150 nan 0.000 0.417 711 V N 2.088 122.009 119.914 0.011 0.000 2.444 711 V HA 0.434 4.554 4.120 -0.000 0.000 0.294 711 V C -0.857 175.255 176.094 0.029 0.000 1.022 711 V CA -0.461 61.871 62.300 0.053 0.000 0.850 711 V CB 1.474 33.365 31.823 0.114 0.000 0.992 711 V HN 0.641 nan 8.190 nan 0.000 0.426 712 I N 6.410 126.993 120.570 0.022 0.000 2.312 712 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 712 I C -2.403 173.730 176.117 0.027 0.000 1.008 712 I CA -2.768 58.543 61.300 0.018 0.000 1.226 712 I CB 1.329 39.334 38.000 0.009 0.000 1.371 712 I HN 0.338 nan 8.210 nan 0.000 0.468 713 P HA 0.050 nan 4.420 nan 0.000 0.267 713 P C 0.750 178.063 177.300 0.022 0.000 1.200 713 P CA 0.098 63.213 63.100 0.025 0.000 0.772 713 P CB 0.867 32.579 31.700 0.021 0.000 0.855 714 A N 4.268 127.102 122.820 0.022 0.000 1.917 714 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 714 A C 2.074 179.668 177.584 0.017 0.000 1.182 714 A CA 1.892 53.941 52.037 0.020 0.000 0.633 714 A CB -1.162 17.849 19.000 0.018 0.000 0.819 714 A HN 0.599 nan 8.150 nan 0.000 0.448 715 K N -0.344 120.066 120.400 0.017 0.000 2.103 715 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 715 K C 1.797 178.407 176.600 0.016 0.000 1.048 715 K CA 1.697 57.993 56.287 0.015 0.000 0.930 715 K CB -0.249 32.259 32.500 0.014 0.000 0.716 715 K HN 0.296 nan 8.250 nan 0.000 0.444 716 V N 0.733 120.657 119.914 0.017 0.000 2.379 716 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 716 V C 2.347 178.452 176.094 0.019 0.000 1.044 716 V CA 1.259 63.569 62.300 0.017 0.000 1.036 716 V CB -0.047 31.786 31.823 0.017 0.000 0.664 716 V HN 0.125 nan 8.190 nan 0.000 0.453 717 V N 0.234 120.159 119.914 0.018 0.000 2.392 717 V HA -0.272 3.847 4.120 -0.000 0.000 0.249 717 V C 2.585 178.691 176.094 0.020 0.000 1.059 717 V CA 2.115 64.426 62.300 0.018 0.000 1.051 717 V CB -0.819 31.014 31.823 0.016 0.000 0.658 717 V HN 0.504 nan 8.190 nan 0.000 0.455 718 R N -0.089 120.422 120.500 0.019 0.000 2.057 718 R HA -0.100 4.240 4.340 -0.000 0.000 0.229 718 R C 2.333 178.648 176.300 0.026 0.000 1.136 718 R CA 1.619 57.731 56.100 0.020 0.000 0.952 718 R CB -0.304 30.007 30.300 0.017 0.000 0.848 718 R HN 0.595 nan 8.270 nan 0.000 0.430 719 E N 0.193 120.407 120.200 0.024 0.000 2.076 719 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 719 E C 2.081 178.698 176.600 0.029 0.000 0.979 719 E CA 1.077 57.492 56.400 0.025 0.000 0.807 719 E CB 0.167 29.879 29.700 0.020 0.000 0.761 719 E HN 0.086 nan 8.360 nan 0.000 0.454 720 V N 1.196 121.126 119.914 0.027 0.000 2.426 720 V HA -0.115 4.005 4.120 -0.000 0.000 0.242 720 V C 2.076 178.192 176.094 0.037 0.000 1.036 720 V CA 1.106 63.422 62.300 0.028 0.000 1.044 720 V CB -0.141 31.695 31.823 0.022 0.000 0.688 720 V HN 0.201 nan 8.190 nan 0.000 0.462 721 L N -0.217 121.028 121.223 0.037 0.000 2.558 721 L HA 0.162 4.502 4.340 -0.000 0.000 0.225 721 L C 0.756 177.661 176.870 0.059 0.000 1.128 721 L CA 0.091 54.958 54.840 0.044 0.000 0.868 721 L CB -0.130 41.946 42.059 0.029 0.000 1.006 721 L HN 0.261 nan 8.230 nan 0.000 0.454 722 K N 0.421 120.857 120.400 0.061 0.000 3.071 722 K HA -0.192 4.128 4.320 -0.000 0.000 0.265 722 K C 0.187 176.801 176.600 0.023 0.000 1.060 722 K CA 1.022 57.355 56.287 0.077 0.000 0.767 722 K CB -2.330 30.283 32.500 0.188 0.000 1.241 722 K HN 0.467 nan 8.250 nan 0.000 0.486 723 T N -1.529 113.030 114.554 0.008 0.000 2.612 723 T HA 0.559 4.909 4.350 -0.000 0.000 0.296 723 T C -1.227 173.472 174.700 -0.003 0.000 1.148 723 T CA 0.341 62.432 62.100 -0.015 0.000 1.077 723 T CB 1.713 70.561 68.868 -0.033 0.000 1.591 723 T HN 0.300 nan 8.240 nan 0.000 0.479 724 T N -1.206 113.345 114.554 -0.005 0.000 2.906 724 T HA 0.493 4.843 4.350 -0.000 0.000 0.295 724 T C 1.070 175.774 174.700 0.006 0.000 1.075 724 T CA -0.082 62.019 62.100 0.003 0.000 1.005 724 T CB 1.128 69.997 68.868 0.002 0.000 1.136 724 T HN 0.455 nan 8.240 nan 0.000 0.498 725 T N 0.602 115.164 114.554 0.013 0.000 2.720 725 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 725 T C 1.629 176.339 174.700 0.018 0.000 1.037 725 T CA 1.966 64.077 62.100 0.019 0.000 1.144 725 T CB -0.416 68.467 68.868 0.026 0.000 0.864 725 T HN 0.838 nan 8.240 nan 0.000 0.444 726 E N 0.757 120.965 120.200 0.014 0.000 2.058 726 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 726 E C 2.418 179.022 176.600 0.007 0.000 0.997 726 E CA 1.120 57.527 56.400 0.012 0.000 0.801 726 E CB -0.221 29.484 29.700 0.008 0.000 0.746 726 E HN 0.484 nan 8.360 nan 0.000 0.450 727 A N 0.951 123.771 122.820 0.000 0.000 1.933 727 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 727 A C 2.185 179.766 177.584 -0.005 0.000 1.175 727 A CA 1.464 53.497 52.037 -0.007 0.000 0.628 727 A CB -0.387 18.602 19.000 -0.018 0.000 0.814 727 A HN 0.282 nan 8.150 nan 0.000 0.444 728 M N -0.392 119.208 119.600 0.000 0.000 2.086 728 M HA -0.104 4.376 4.480 -0.000 0.000 0.261 728 M C 2.204 178.512 176.300 0.013 0.000 1.067 728 M CA 1.470 56.773 55.300 0.004 0.000 1.116 728 M CB -1.170 31.435 32.600 0.008 0.000 1.348 728 M HN 0.440 nan 8.290 nan 0.000 0.407 729 I N -0.156 120.425 120.570 0.020 0.000 2.179 729 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 729 I C 2.434 178.564 176.117 0.023 0.000 1.088 729 I CA 1.097 62.414 61.300 0.028 0.000 1.357 729 I CB -0.501 37.519 38.000 0.034 0.000 1.051 729 I HN 0.273 nan 8.210 nan 0.000 0.409 730 E N 0.598 120.807 120.200 0.015 0.000 2.085 730 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 730 E C 2.441 179.047 176.600 0.009 0.000 0.994 730 E CA 1.217 57.623 56.400 0.011 0.000 0.801 730 E CB -0.425 29.277 29.700 0.005 0.000 0.743 730 E HN 0.343 nan 8.360 nan 0.000 0.453 731 V N 1.715 121.631 119.914 0.003 0.000 2.358 731 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 731 V C 2.232 178.331 176.094 0.008 0.000 1.047 731 V CA 1.859 64.158 62.300 -0.001 0.000 1.035 731 V CB -0.688 31.128 31.823 -0.012 0.000 0.658 731 V HN 0.227 nan 8.190 nan 0.000 0.452 732 N N 0.283 118.993 118.700 0.017 0.000 2.069 732 N HA -0.145 4.594 4.740 -0.000 0.000 0.191 732 N C 1.655 177.191 175.510 0.043 0.000 1.031 732 N CA 1.695 54.763 53.050 0.030 0.000 0.852 732 N CB -0.217 38.292 38.487 0.038 0.000 1.018 732 N HN 0.468 nan 8.380 nan 0.000 0.423 733 I N 0.196 120.790 120.570 0.040 0.000 2.252 733 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 733 I C 1.459 177.601 176.117 0.042 0.000 1.102 733 I CA 0.864 62.191 61.300 0.047 0.000 1.385 733 I CB -0.278 37.745 38.000 0.038 0.000 1.064 733 I HN 0.259 nan 8.210 nan 0.000 0.414 734 N N 0.516 119.232 118.700 0.027 0.000 2.457 734 N HA -0.116 4.624 4.740 -0.000 0.000 0.180 734 N C 1.635 177.152 175.510 0.012 0.000 1.050 734 N CA 0.747 53.809 53.050 0.019 0.000 0.906 734 N CB 0.252 38.745 38.487 0.010 0.000 0.968 734 N HN 0.472 nan 8.380 nan 0.000 0.445 735 K N 0.694 121.101 120.400 0.011 0.000 2.267 735 K HA 0.119 4.439 4.320 -0.000 0.000 0.213 735 K C 1.087 177.685 176.600 -0.003 0.000 1.060 735 K CA 0.137 56.420 56.287 -0.006 0.000 0.935 735 K CB 0.182 32.673 32.500 -0.015 0.000 1.096 735 K HN -0.158 nan 8.250 nan 0.000 0.468 736 N N 1.105 119.819 118.700 0.024 0.000 2.381 736 N HA -0.046 4.694 4.740 -0.000 0.000 0.182 736 N C 1.704 177.308 175.510 0.157 0.000 1.025 736 N CA 0.897 53.978 53.050 0.052 0.000 0.888 736 N CB 0.114 38.647 38.487 0.076 0.000 0.965 736 N HN 0.253 nan 8.380 nan 0.000 0.438 737 L N -0.959 120.361 121.223 0.161 0.000 2.546 737 L HA 0.135 4.475 4.340 -0.000 0.000 0.182 737 L C 2.040 179.022 176.870 0.186 0.000 1.167 737 L CA 0.237 55.227 54.840 0.249 0.000 0.845 737 L CB -0.630 41.517 42.059 0.148 0.000 1.134 737 L HN -0.171 nan 8.230 nan 0.000 0.500 738 V N 0.718 120.691 119.914 0.097 0.000 2.295 738 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 738 V C 2.607 178.722 176.094 0.034 0.000 1.049 738 V CA 2.094 64.432 62.300 0.064 0.000 1.024 738 V CB -1.396 30.450 31.823 0.039 0.000 0.648 738 V HN 0.596 nan 8.190 nan 0.000 0.447 739 G N -0.384 108.422 108.800 0.009 0.000 2.421 739 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 739 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 739 G C 1.838 176.696 174.900 -0.070 0.000 1.171 739 G CA 1.222 46.305 45.100 -0.028 0.000 0.775 739 G HN 0.511 nan 8.290 nan 0.000 0.543 740 S N 0.954 116.581 115.700 -0.122 0.000 2.402 740 S HA 0.041 4.511 4.470 -0.000 0.000 0.229 740 S C 2.734 177.217 174.600 -0.194 0.000 1.021 740 S CA 1.085 59.107 58.200 -0.296 0.000 0.974 740 S CB -0.272 62.501 63.200 -0.713 0.000 0.800 740 S HN 0.594 nan 8.310 nan 0.000 0.484 741 A N 1.924 124.748 122.820 0.006 0.000 1.898 741 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 741 A C 2.093 179.688 177.584 0.018 0.000 1.181 741 A CA 1.292 53.384 52.037 0.091 0.000 0.620 741 A CB -0.495 18.590 19.000 0.142 0.000 0.819 741 A HN 0.353 nan 8.150 nan 0.000 0.442 742 M N -0.193 119.407 119.600 -0.001 0.000 2.159 742 M HA -0.097 4.382 4.480 -0.000 0.000 0.263 742 M C 2.331 178.613 176.300 -0.030 0.000 1.063 742 M CA 1.553 56.846 55.300 -0.012 0.000 1.110 742 M CB -1.574 31.018 32.600 -0.014 0.000 1.374 742 M HN 0.471 nan 8.290 nan 0.000 0.411 743 A N -0.497 122.289 122.820 -0.057 0.000 2.168 743 A HA 0.323 4.643 4.320 -0.000 0.000 0.215 743 A C 1.568 179.109 177.584 -0.072 0.000 1.152 743 A CA 1.009 53.003 52.037 -0.072 0.000 0.716 743 A CB -0.913 18.024 19.000 -0.104 0.000 0.794 743 A HN 0.685 nan 8.150 nan 0.000 0.465 744 G N -0.356 108.407 108.800 -0.060 0.000 2.289 744 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.280 744 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.280 744 G C 0.168 175.019 174.900 -0.083 0.000 1.089 744 G CA 0.546 45.618 45.100 -0.046 0.000 0.939 744 G HN 1.032 nan 8.290 nan 0.000 0.499 745 S N -0.518 115.094 115.700 -0.147 0.000 2.562 745 S HA 0.718 5.188 4.470 -0.000 0.000 0.275 745 S C 0.465 174.960 174.600 -0.175 0.000 1.281 745 S CA -0.787 57.269 58.200 -0.239 0.000 1.045 745 S CB 0.376 63.291 63.200 -0.475 0.000 0.962 745 S HN 0.383 nan 8.310 nan 0.000 0.503 746 I N 4.369 124.818 120.570 -0.202 0.000 2.390 746 I HA 0.392 4.562 4.170 -0.000 0.000 0.283 746 I C 1.277 177.091 176.117 -0.505 0.000 1.016 746 I CA 0.188 61.340 61.300 -0.246 0.000 1.151 746 I CB 0.235 38.145 38.000 -0.150 0.000 1.293 746 I HN 1.025 nan 8.210 nan 0.000 0.458 747 G N 4.971 113.199 108.800 -0.952 0.000 2.199 747 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 747 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 747 G C 0.812 175.335 174.900 -0.628 0.000 0.982 747 G CA 0.006 44.301 45.100 -1.341 0.000 0.632 747 G HN 0.911 nan 8.290 nan 0.000 0.529 748 G N -0.125 108.373 108.800 -0.502 0.000 4.178 748 G HA2 0.487 4.447 3.960 -0.000 0.000 0.287 748 G HA3 0.487 4.447 3.960 -0.000 0.000 0.287 748 G C -0.030 174.567 174.900 -0.505 0.000 1.293 748 G CA -0.469 44.395 45.100 -0.393 0.000 1.393 748 G HN 0.353 nan 8.290 nan 0.000 0.623 749 Y N 1.623 121.829 120.300 -0.156 0.000 2.880 749 Y HA 0.250 4.800 4.550 0.001 0.000 0.386 749 Y C 0.676 176.577 175.900 0.002 0.000 1.172 749 Y CA -0.929 57.140 58.100 -0.052 0.000 1.770 749 Y CB -0.274 38.186 38.460 0.001 0.000 1.809 749 Y HN 0.618 nan 8.280 nan 0.000 0.472 750 N N -2.042 116.661 118.700 0.006 0.000 2.825 750 N HA 0.634 5.374 4.740 -0.000 0.000 0.253 750 N C 0.033 175.548 175.510 0.009 0.000 1.426 750 N CA -0.478 52.596 53.050 0.040 0.000 0.851 750 N CB 0.735 39.257 38.487 0.059 0.000 1.470 750 N HN -0.053 nan 8.380 nan 0.000 0.517 751 A N -0.279 122.567 122.820 0.044 0.000 1.862 751 A HA 0.075 4.394 4.320 -0.000 0.000 0.211 751 A C 0.817 178.461 177.584 0.099 0.000 1.220 751 A CA 1.588 53.642 52.037 0.028 0.000 0.616 751 A CB -0.942 18.054 19.000 -0.006 0.000 0.878 751 A HN 0.983 nan 8.150 nan 0.000 0.453 752 H N -4.723 114.333 119.070 -0.024 0.000 3.407 752 H HA 0.644 5.200 4.556 -0.001 0.000 0.222 752 H C 0.791 176.101 175.328 -0.030 0.000 1.357 752 H CA 0.088 56.119 56.048 -0.028 0.000 1.145 752 H CB -0.134 29.619 29.762 -0.016 0.000 2.622 752 H HN 0.259 nan 8.280 nan 0.000 0.556 753 A N 1.325 124.145 122.820 -0.000 0.000 1.948 753 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 753 A C 2.587 180.090 177.584 -0.136 0.000 1.177 753 A CA 2.067 54.055 52.037 -0.081 0.000 0.636 753 A CB -0.918 18.066 19.000 -0.027 0.000 0.815 753 A HN 0.761 nan 8.150 nan 0.000 0.449 754 A N 0.003 122.763 122.820 -0.101 0.000 1.940 754 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 754 A C 1.962 179.462 177.584 -0.140 0.000 1.176 754 A CA 1.954 53.920 52.037 -0.119 0.000 0.631 754 A CB -0.634 18.322 19.000 -0.075 0.000 0.814 754 A HN 0.569 nan 8.150 nan 0.000 0.446 755 N N -0.135 118.475 118.700 -0.149 0.000 2.058 755 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 755 N C 1.514 176.913 175.510 -0.185 0.000 1.037 755 N CA 1.643 54.602 53.050 -0.151 0.000 0.848 755 N CB -0.446 37.938 38.487 -0.172 0.000 1.021 755 N HN 0.435 nan 8.380 nan 0.000 0.422 756 I N 0.435 120.848 120.570 -0.262 0.000 2.202 756 I HA -0.167 4.003 4.170 -0.000 0.000 0.242 756 I C 2.271 178.294 176.117 -0.156 0.000 1.091 756 I CA 0.572 61.756 61.300 -0.193 0.000 1.368 756 I CB -0.601 37.281 38.000 -0.197 0.000 1.058 756 I HN -0.119 nan 8.210 nan 0.000 0.410 757 V N 0.306 120.091 119.914 -0.215 0.000 2.252 757 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 757 V C 2.497 178.354 176.094 -0.395 0.000 1.056 757 V CA 2.621 64.705 62.300 -0.360 0.000 1.022 757 V CB -1.178 30.368 31.823 -0.462 0.000 0.641 757 V HN 0.483 nan 8.190 nan 0.000 0.445 758 T N 0.285 114.681 114.554 -0.262 0.000 2.684 758 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 758 T C 2.039 176.728 174.700 -0.018 0.000 1.036 758 T CA 1.721 63.742 62.100 -0.133 0.000 1.148 758 T CB -0.497 68.319 68.868 -0.087 0.000 0.863 758 T HN 0.587 nan 8.240 nan 0.000 0.436 759 A N 0.992 123.795 122.820 -0.029 0.000 1.902 759 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 759 A C 2.313 179.923 177.584 0.043 0.000 1.181 759 A CA 1.221 53.261 52.037 0.006 0.000 0.623 759 A CB -0.763 18.228 19.000 -0.015 0.000 0.818 759 A HN 0.522 nan 8.150 nan 0.000 0.443 760 I N -1.933 118.671 120.570 0.056 0.000 2.252 760 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 760 I C 2.362 178.598 176.117 0.199 0.000 1.102 760 I CA 1.111 62.474 61.300 0.106 0.000 1.385 760 I CB -0.392 37.675 38.000 0.112 0.000 1.064 760 I HN 0.327 nan 8.210 nan 0.000 0.414 761 Y N 0.884 121.171 120.300 -0.022 0.000 2.128 761 Y HA -0.223 4.326 4.550 -0.000 0.000 0.284 761 Y C 2.460 178.355 175.900 -0.008 0.000 1.154 761 Y CA 1.207 59.298 58.100 -0.015 0.000 1.149 761 Y CB -0.731 37.722 38.460 -0.012 0.000 0.976 761 Y HN 0.097 nan 8.280 nan 0.000 0.505 762 I N -0.792 119.876 120.570 0.163 0.000 2.315 762 I HA -0.294 3.875 4.170 -0.000 0.000 0.248 762 I C 2.486 178.636 176.117 0.055 0.000 1.117 762 I CA 1.149 62.502 61.300 0.088 0.000 1.404 762 I CB -0.549 37.493 38.000 0.069 0.000 1.071 762 I HN 0.133 nan 8.210 nan 0.000 0.419 763 A N -0.485 122.367 122.820 0.054 0.000 1.930 763 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 763 A C 2.003 179.596 177.584 0.015 0.000 1.175 763 A CA 1.249 53.305 52.037 0.032 0.000 0.627 763 A CB -0.762 18.256 19.000 0.030 0.000 0.815 763 A HN 0.563 nan 8.150 nan 0.000 0.443 764 C N -0.614 118.690 119.300 0.007 0.000 2.589 764 C HA 0.511 4.971 4.460 -0.000 0.000 0.307 764 C C 1.725 176.682 174.990 -0.054 0.000 1.328 764 C CA -0.237 58.765 59.018 -0.027 0.000 1.742 764 C CB -1.205 26.510 27.740 -0.041 0.000 2.037 764 C HN 1.016 nan 8.230 nan 0.000 0.592 765 G N 1.428 110.208 108.800 -0.034 0.000 2.198 765 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.260 765 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.260 765 G C 0.094 174.943 174.900 -0.085 0.000 1.025 765 G CA 0.179 45.254 45.100 -0.043 0.000 0.769 765 G HN 0.540 nan 8.290 nan 0.000 0.507 766 Q N -0.067 119.650 119.800 -0.139 0.000 2.308 766 Q HA 0.364 4.704 4.340 -0.000 0.000 0.207 766 Q C -0.075 175.863 176.000 -0.103 0.000 1.035 766 Q CA -0.515 55.130 55.803 -0.264 0.000 1.008 766 Q CB 0.511 28.799 28.738 -0.751 0.000 1.168 766 Q HN 0.317 nan 8.270 nan 0.000 0.565 767 D N -0.051 120.302 120.400 -0.079 0.000 2.411 767 D HA 0.271 4.911 4.640 -0.000 0.000 0.225 767 D C 0.361 176.770 176.300 0.181 0.000 1.156 767 D CA -0.151 53.875 54.000 0.044 0.000 0.874 767 D CB 0.897 41.718 40.800 0.035 0.000 1.034 767 D HN 0.512 nan 8.370 nan 0.000 0.502 768 A N 3.803 126.727 122.820 0.174 0.000 2.024 768 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 768 A C 2.075 179.731 177.584 0.121 0.000 1.164 768 A CA 1.685 53.837 52.037 0.192 0.000 0.643 768 A CB -0.295 18.774 19.000 0.115 0.000 0.806 768 A HN 0.617 nan 8.150 nan 0.000 0.451 769 A N -0.788 122.088 122.820 0.094 0.000 2.070 769 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 769 A C 1.914 179.542 177.584 0.072 0.000 1.159 769 A CA 1.388 53.463 52.037 0.064 0.000 0.656 769 A CB -0.441 18.590 19.000 0.052 0.000 0.800 769 A HN 0.674 nan 8.150 nan 0.000 0.453 770 Q N -0.686 119.188 119.800 0.124 0.000 2.482 770 Q HA -0.087 4.253 4.340 -0.000 0.000 0.209 770 Q C 1.500 177.553 176.000 0.087 0.000 0.961 770 Q CA 0.485 56.369 55.803 0.136 0.000 0.945 770 Q CB -0.209 28.649 28.738 0.199 0.000 1.012 770 Q HN 0.742 nan 8.270 nan 0.000 0.515 771 N N 0.271 118.977 118.700 0.010 0.000 2.272 771 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 771 N C 1.400 176.874 175.510 -0.059 0.000 1.014 771 N CA 0.909 53.888 53.050 -0.119 0.000 0.870 771 N CB -0.014 38.401 38.487 -0.121 0.000 0.975 771 N HN 0.012 nan 8.380 nan 0.000 0.433 772 V N -0.298 119.607 119.914 -0.014 0.000 2.231 772 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 772 V C 2.217 178.309 176.094 -0.002 0.000 1.058 772 V CA 2.278 64.572 62.300 -0.009 0.000 1.022 772 V CB -1.184 30.644 31.823 0.008 0.000 0.640 772 V HN 0.593 nan 8.190 nan 0.000 0.445 773 G N -2.113 106.702 108.800 0.025 0.000 2.656 773 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.211 773 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.211 773 G C 1.681 176.615 174.900 0.056 0.000 1.137 773 G CA 0.708 45.837 45.100 0.048 0.000 0.802 773 G HN 0.480 nan 8.290 nan 0.000 0.527 774 S N 1.159 116.883 115.700 0.040 0.000 2.442 774 S HA -0.066 4.404 4.470 -0.000 0.000 0.236 774 S C 2.456 177.042 174.600 -0.022 0.000 1.007 774 S CA 1.114 59.335 58.200 0.034 0.000 0.965 774 S CB -0.060 63.167 63.200 0.046 0.000 0.773 774 S HN 0.301 nan 8.310 nan 0.000 0.504 775 S N 1.756 117.424 115.700 -0.053 0.000 2.522 775 S HA 0.101 4.571 4.470 -0.000 0.000 0.227 775 S C 0.488 175.094 174.600 0.011 0.000 0.986 775 S CA -0.093 58.073 58.200 -0.055 0.000 0.929 775 S CB -0.229 62.924 63.200 -0.079 0.000 0.769 775 S HN 0.463 nan 8.310 nan 0.000 0.529 776 N N 1.652 120.392 118.700 0.066 0.000 2.357 776 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 776 N C -0.458 175.199 175.510 0.246 0.000 1.250 776 N CA 0.418 53.557 53.050 0.148 0.000 0.862 776 N CB 0.383 39.069 38.487 0.331 0.000 1.066 776 N HN 0.278 nan 8.380 nan 0.000 0.468 777 C N 3.490 122.946 119.300 0.260 0.000 3.199 777 C HA 0.542 5.002 4.460 -0.000 0.000 0.392 777 C C -0.981 174.209 174.990 0.333 0.000 1.050 777 C CA -0.993 58.200 59.018 0.291 0.000 1.222 777 C CB 0.381 28.203 27.740 0.137 0.000 1.595 777 C HN 0.769 nan 8.230 nan 0.000 0.560 778 I N 5.032 125.831 120.570 0.381 0.000 2.389 778 I HA 0.545 4.715 4.170 -0.000 0.000 0.288 778 I C -0.184 176.050 176.117 0.195 0.000 0.999 778 I CA 0.333 61.839 61.300 0.343 0.000 1.129 778 I CB 1.751 39.996 38.000 0.409 0.000 1.288 778 I HN 0.773 nan 8.210 nan 0.000 0.444 779 T N 8.271 122.921 114.554 0.159 0.000 2.749 779 T HA 0.545 4.895 4.350 -0.000 0.000 0.287 779 T C -0.315 174.442 174.700 0.094 0.000 0.970 779 T CA -0.337 61.822 62.100 0.098 0.000 0.980 779 T CB 0.794 69.710 68.868 0.079 0.000 0.924 779 T HN 0.365 nan 8.240 nan 0.000 0.456 780 L N 3.831 125.098 121.223 0.073 0.000 2.354 780 L HA 0.706 5.046 4.340 -0.000 0.000 0.269 780 L C -0.322 176.591 176.870 0.072 0.000 1.005 780 L CA -0.892 54.001 54.840 0.089 0.000 0.819 780 L CB 1.929 44.061 42.059 0.121 0.000 1.311 780 L HN 0.428 nan 8.230 nan 0.000 0.423 781 M N 2.711 122.367 119.600 0.093 0.000 2.501 781 M HA 0.517 4.996 4.480 -0.000 0.000 0.293 781 M C -1.134 175.249 176.300 0.138 0.000 1.192 781 M CA -0.522 54.836 55.300 0.096 0.000 0.886 781 M CB 3.027 35.657 32.600 0.050 0.000 1.710 781 M HN 0.667 nan 8.290 nan 0.000 0.457 782 E N 1.156 121.467 120.200 0.185 0.000 2.423 782 E HA 0.772 5.121 4.350 -0.000 0.000 0.280 782 E C -1.685 174.994 176.600 0.132 0.000 1.030 782 E CA -1.184 55.300 56.400 0.140 0.000 0.812 782 E CB 1.583 31.355 29.700 0.121 0.000 1.313 782 E HN 0.703 nan 8.360 nan 0.000 0.456 783 A N 0.992 123.858 122.820 0.077 0.000 2.407 783 A HA 0.567 4.887 4.320 -0.000 0.000 0.248 783 A C -0.085 177.533 177.584 0.057 0.000 1.082 783 A CA 0.247 52.321 52.037 0.061 0.000 0.785 783 A CB 0.988 20.009 19.000 0.035 0.000 1.020 783 A HN 0.487 nan 8.150 nan 0.000 0.489 784 S N -0.261 115.475 115.700 0.060 0.000 2.671 784 S HA 0.806 5.275 4.470 -0.000 0.000 0.277 784 S C -0.195 174.427 174.600 0.036 0.000 1.165 784 S CA 0.668 58.897 58.200 0.048 0.000 0.822 784 S CB 1.234 64.495 63.200 0.101 0.000 1.150 784 S HN 2.782 nan 8.310 nan 0.000 0.479 785 G N 2.376 111.192 108.800 0.025 0.000 2.730 785 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.686 785 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.686 785 G C -2.370 172.537 174.900 0.011 0.000 1.343 785 G CA -0.288 44.825 45.100 0.021 0.000 0.826 785 G HN 0.580 nan 8.290 nan 0.000 0.582 786 P HA -0.077 nan 4.420 nan 0.000 0.216 786 P C 1.717 179.020 177.300 0.006 0.000 1.154 786 P CA 2.575 65.678 63.100 0.006 0.000 0.865 786 P CB 0.025 31.729 31.700 0.006 0.000 0.789 787 T N -3.420 111.140 114.554 0.009 0.000 3.069 787 T HA 0.139 4.489 4.350 -0.000 0.000 0.252 787 T C 0.398 175.104 174.700 0.010 0.000 1.053 787 T CA -0.324 61.781 62.100 0.008 0.000 0.964 787 T CB -0.830 68.044 68.868 0.009 0.000 1.005 787 T HN 0.202 nan 8.240 nan 0.000 0.532 788 N N 1.855 120.562 118.700 0.013 0.000 2.735 788 N HA -0.212 4.527 4.740 -0.000 0.000 0.248 788 N C 0.925 176.447 175.510 0.020 0.000 1.083 788 N CA 0.808 53.868 53.050 0.016 0.000 0.703 788 N CB -0.347 38.147 38.487 0.011 0.000 1.005 788 N HN 0.816 nan 8.380 nan 0.000 0.550 789 E N -1.336 118.877 120.200 0.022 0.000 2.389 789 E HA 0.070 4.420 4.350 -0.000 0.000 0.199 789 E C -0.250 176.367 176.600 0.028 0.000 0.978 789 E CA -0.175 56.238 56.400 0.022 0.000 0.912 789 E CB 0.325 30.035 29.700 0.018 0.000 0.907 789 E HN 0.191 nan 8.360 nan 0.000 0.494 790 D N 1.337 121.758 120.400 0.036 0.000 2.312 790 D HA 0.222 4.862 4.640 -0.000 0.000 0.248 790 D C -0.690 175.647 176.300 0.061 0.000 1.086 790 D CA -0.458 53.569 54.000 0.045 0.000 0.948 790 D CB 1.868 42.697 40.800 0.049 0.000 1.162 790 D HN 0.052 nan 8.370 nan 0.000 0.446 791 L N 2.287 123.546 121.223 0.059 0.000 2.280 791 L HA 0.252 4.592 4.340 -0.000 0.000 0.287 791 L C -1.291 175.632 176.870 0.088 0.000 1.023 791 L CA -0.712 54.168 54.840 0.067 0.000 0.819 791 L CB 0.598 42.677 42.059 0.033 0.000 1.212 791 L HN 0.243 nan 8.230 nan 0.000 0.420 792 Y N 6.190 126.499 120.300 0.015 0.000 2.313 792 Y HA 0.626 5.176 4.550 -0.000 0.000 0.332 792 Y C -0.809 175.103 175.900 0.020 0.000 1.071 792 Y CA -0.514 57.596 58.100 0.017 0.000 1.169 792 Y CB 1.051 39.519 38.460 0.014 0.000 1.192 792 Y HN 0.662 nan 8.280 nan 0.000 0.487 793 I N 5.827 125.939 120.570 -0.762 0.000 2.686 793 I HA 0.602 4.771 4.170 -0.000 0.000 0.295 793 I C -1.472 174.223 176.117 -0.703 0.000 1.114 793 I CA -0.417 60.569 61.300 -0.524 0.000 1.038 793 I CB 1.790 39.658 38.000 -0.220 0.000 1.238 793 I HN 0.777 nan 8.210 nan 0.000 0.420 794 S N 5.776 121.263 115.700 -0.354 0.000 2.546 794 S HA 0.704 5.174 4.470 -0.000 0.000 0.274 794 S C -1.322 173.253 174.600 -0.042 0.000 1.121 794 S CA -0.640 57.452 58.200 -0.180 0.000 0.887 794 S CB 1.522 64.710 63.200 -0.019 0.000 1.094 794 S HN 0.694 nan 8.310 nan 0.000 0.474 795 C N 2.195 121.486 119.300 -0.014 0.000 2.441 795 C HA 0.851 5.311 4.460 -0.000 0.000 0.318 795 C C -0.191 174.821 174.990 0.037 0.000 1.222 795 C CA -0.364 58.670 59.018 0.027 0.000 1.474 795 C CB 1.273 29.025 27.740 0.020 0.000 2.125 795 C HN 0.973 nan 8.230 nan 0.000 0.479 796 T N 4.531 119.123 114.554 0.063 0.000 2.809 796 T HA 0.527 4.877 4.350 -0.000 0.000 0.284 796 T C -0.489 174.254 174.700 0.072 0.000 0.992 796 T CA -0.245 61.878 62.100 0.039 0.000 0.957 796 T CB 0.828 69.699 68.868 0.004 0.000 0.942 796 T HN 0.559 nan 8.240 nan 0.000 0.439 797 M N 5.256 124.886 119.600 0.049 0.000 2.018 797 M HA 0.274 4.754 4.480 -0.000 0.000 0.311 797 M C -1.828 174.496 176.300 0.040 0.000 0.928 797 M CA -2.165 53.184 55.300 0.082 0.000 0.911 797 M CB 2.447 35.087 32.600 0.067 0.000 1.447 797 M HN 0.276 nan 8.290 nan 0.000 0.407 798 P HA -0.015 nan 4.420 nan 0.000 0.236 798 P C 0.109 177.424 177.300 0.025 0.000 1.177 798 P CA 0.752 63.832 63.100 -0.033 0.000 0.773 798 P CB 0.267 31.867 31.700 -0.166 0.000 0.878 799 S N -0.876 114.872 115.700 0.080 0.000 2.472 799 S HA 0.366 4.836 4.470 -0.000 0.000 0.191 799 S C -0.121 174.535 174.600 0.093 0.000 1.244 799 S CA -0.687 57.563 58.200 0.084 0.000 1.227 799 S CB -1.103 62.162 63.200 0.108 0.000 1.381 799 S HN -0.080 nan 8.310 nan 0.000 0.394 800 I N 2.283 122.905 120.570 0.087 0.000 2.363 800 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 800 I C 0.063 176.255 176.117 0.124 0.000 1.075 800 I CA -0.021 61.352 61.300 0.121 0.000 1.333 800 I CB 0.578 38.639 38.000 0.103 0.000 1.415 800 I HN 0.420 nan 8.210 nan 0.000 0.502 801 E N 7.624 127.926 120.200 0.171 0.000 2.046 801 E HA 0.593 4.943 4.350 -0.000 0.000 0.279 801 E C -0.645 175.988 176.600 0.053 0.000 0.989 801 E CA -0.146 56.322 56.400 0.113 0.000 0.798 801 E CB 1.713 31.486 29.700 0.121 0.000 1.086 801 E HN 0.485 nan 8.360 nan 0.000 0.399 802 I N 1.428 121.984 120.570 -0.024 0.000 3.102 802 I HA 0.723 4.893 4.170 -0.000 0.000 0.310 802 I C -0.828 175.221 176.117 -0.113 0.000 1.246 802 I CA -0.627 60.587 61.300 -0.143 0.000 0.979 802 I CB 2.268 40.203 38.000 -0.109 0.000 1.267 802 I HN 0.588 nan 8.210 nan 0.000 0.451 803 G N 0.406 109.117 108.800 -0.150 0.000 2.646 803 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 803 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 803 G C -0.466 174.363 174.900 -0.118 0.000 1.445 803 G CA 0.270 45.303 45.100 -0.112 0.000 0.814 803 G HN 0.608 nan 8.290 nan 0.000 0.495 804 T N -2.814 111.679 114.554 -0.101 0.000 3.043 804 T HA 0.488 4.838 4.350 -0.000 0.000 0.272 804 T C 0.087 174.734 174.700 -0.088 0.000 0.990 804 T CA 0.029 62.075 62.100 -0.090 0.000 0.897 804 T CB 0.384 69.207 68.868 -0.075 0.000 1.111 804 T HN 0.604 nan 8.240 nan 0.000 0.529 805 V N 0.787 120.641 119.914 -0.099 0.000 2.876 805 V HA 0.834 4.954 4.120 -0.000 0.000 0.312 805 V C 0.646 176.687 176.094 -0.088 0.000 1.085 805 V CA 0.058 62.299 62.300 -0.099 0.000 0.945 805 V CB 1.066 32.806 31.823 -0.139 0.000 1.017 805 V HN 0.890 nan 8.190 nan 0.000 0.428 806 G N 2.228 110.986 108.800 -0.070 0.000 2.730 806 G HA2 0.429 4.388 3.960 -0.000 0.000 0.686 806 G HA3 0.429 4.388 3.960 -0.000 0.000 0.686 806 G C 0.516 175.387 174.900 -0.048 0.000 1.343 806 G CA -0.186 44.882 45.100 -0.054 0.000 0.826 806 G HN 2.373 nan 8.290 nan 0.000 0.582 807 G N -0.191 108.589 108.800 -0.033 0.000 2.614 807 G HA2 0.150 4.110 3.960 -0.000 0.000 0.303 807 G HA3 0.150 4.110 3.960 -0.000 0.000 0.303 807 G C 1.973 176.859 174.900 -0.023 0.000 1.270 807 G CA 2.005 47.090 45.100 -0.025 0.000 0.988 807 G HN 2.529 nan 8.290 nan 0.000 0.551 808 G N -0.575 108.211 108.800 -0.023 0.000 2.535 808 G HA2 0.154 4.113 3.960 -0.000 0.000 0.218 808 G HA3 0.154 4.113 3.960 -0.000 0.000 0.218 808 G C 1.825 176.708 174.900 -0.028 0.000 1.122 808 G CA 2.226 47.317 45.100 -0.015 0.000 0.769 808 G HN 1.947 nan 8.290 nan 0.000 0.549 809 T N -1.768 112.758 114.554 -0.046 0.000 3.163 809 T HA 0.006 4.356 4.350 -0.000 0.000 0.260 809 T C 1.796 176.468 174.700 -0.047 0.000 1.156 809 T CA 0.737 62.805 62.100 -0.052 0.000 1.072 809 T CB -0.196 68.632 68.868 -0.067 0.000 0.937 809 T HN 0.131 nan 8.240 nan 0.000 0.528 810 N N 0.933 119.609 118.700 -0.040 0.000 2.446 810 N HA 0.197 4.937 4.740 -0.000 0.000 0.179 810 N C 0.365 175.845 175.510 -0.050 0.000 1.054 810 N CA 0.202 53.227 53.050 -0.042 0.000 0.905 810 N CB -0.052 38.415 38.487 -0.033 0.000 0.973 810 N HN 0.501 nan 8.380 nan 0.000 0.448 811 L N 1.163 122.360 121.223 -0.044 0.000 2.371 811 L HA 0.206 4.546 4.340 -0.000 0.000 0.272 811 L C 1.786 178.612 176.870 -0.074 0.000 1.124 811 L CA -0.402 54.402 54.840 -0.061 0.000 0.816 811 L CB 1.135 43.185 42.059 -0.014 0.000 1.129 811 L HN -0.092 nan 8.230 nan 0.000 0.448 812 L N 2.648 123.801 121.223 -0.116 0.000 2.012 812 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 812 L C -0.385 176.439 176.870 -0.077 0.000 1.073 812 L CA 1.540 56.317 54.840 -0.106 0.000 0.748 812 L CB -1.426 40.548 42.059 -0.143 0.000 0.891 812 L HN 0.595 nan 8.230 nan 0.000 0.431 813 P HA -0.170 nan 4.420 nan 0.000 0.216 813 P C 1.394 178.681 177.300 -0.023 0.000 1.153 813 P CA 1.026 64.103 63.100 -0.038 0.000 0.848 813 P CB -0.064 31.629 31.700 -0.013 0.000 0.787 814 Q N -0.179 119.610 119.800 -0.018 0.000 2.224 814 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 814 Q C 1.917 177.901 176.000 -0.026 0.000 0.970 814 Q CA 1.388 57.181 55.803 -0.017 0.000 0.865 814 Q CB -1.199 27.531 28.738 -0.014 0.000 0.922 814 Q HN 0.467 nan 8.270 nan 0.000 0.445 815 Q N 0.547 120.327 119.800 -0.034 0.000 2.224 815 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 815 Q C 2.099 178.083 176.000 -0.026 0.000 0.970 815 Q CA 1.152 56.934 55.803 -0.035 0.000 0.865 815 Q CB -0.151 28.562 28.738 -0.042 0.000 0.922 815 Q HN 0.500 nan 8.270 nan 0.000 0.445 816 A N 0.316 123.120 122.820 -0.026 0.000 1.902 816 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 816 A C 2.271 179.850 177.584 -0.007 0.000 1.181 816 A CA 1.253 53.279 52.037 -0.018 0.000 0.623 816 A CB -0.858 18.130 19.000 -0.020 0.000 0.818 816 A HN 0.471 nan 8.150 nan 0.000 0.443 817 C N -0.910 118.386 119.300 -0.007 0.000 2.440 817 C HA 0.027 4.487 4.460 -0.000 0.000 0.278 817 C C 2.622 177.612 174.990 0.001 0.000 1.295 817 C CA 0.835 59.854 59.018 0.001 0.000 1.738 817 C CB -1.452 26.289 27.740 0.002 0.000 1.987 817 C HN 0.622 nan 8.230 nan 0.000 0.492 818 L N 0.210 121.427 121.223 -0.011 0.000 2.093 818 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 818 L C 2.754 179.625 176.870 0.002 0.000 1.085 818 L CA 1.486 56.317 54.840 -0.014 0.000 0.755 818 L CB -0.673 41.368 42.059 -0.030 0.000 0.904 818 L HN 0.444 nan 8.230 nan 0.000 0.435 819 Q N -0.662 119.139 119.800 0.001 0.000 2.119 819 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 819 Q C 2.326 178.342 176.000 0.026 0.000 0.972 819 Q CA 1.340 57.149 55.803 0.010 0.000 0.847 819 Q CB -0.100 28.638 28.738 -0.001 0.000 0.903 819 Q HN 0.531 nan 8.270 nan 0.000 0.433 820 M N 0.031 119.648 119.600 0.028 0.000 2.202 820 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 820 M C 1.718 178.069 176.300 0.085 0.000 1.063 820 M CA 1.332 56.659 55.300 0.044 0.000 1.097 820 M CB -0.093 32.531 32.600 0.040 0.000 1.382 820 M HN 0.222 nan 8.290 nan 0.000 0.413 821 L N -0.890 120.387 121.223 0.090 0.000 2.558 821 L HA 0.148 4.488 4.340 -0.000 0.000 0.225 821 L C 1.253 178.236 176.870 0.188 0.000 1.128 821 L CA 0.219 55.154 54.840 0.157 0.000 0.868 821 L CB -0.356 41.731 42.059 0.047 0.000 1.006 821 L HN 0.593 nan 8.230 nan 0.000 0.454 822 G N 0.729 109.594 108.800 0.109 0.000 2.160 822 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 822 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 822 G C 0.542 175.483 174.900 0.068 0.000 1.022 822 G CA 0.362 45.518 45.100 0.092 0.000 0.741 822 G HN 0.358 nan 8.290 nan 0.000 0.508 823 V N -3.514 116.422 119.914 0.036 0.000 3.276 823 V HA 0.478 4.598 4.120 -0.000 0.000 0.319 823 V C 0.663 176.748 176.094 -0.015 0.000 1.476 823 V CA 0.362 62.666 62.300 0.007 0.000 1.097 823 V CB 0.820 32.634 31.823 -0.016 0.000 0.988 823 V HN 0.412 nan 8.190 nan 0.000 0.473 824 Q N 2.066 121.859 119.800 -0.012 0.000 2.311 824 Q HA 0.454 4.794 4.340 -0.000 0.000 0.272 824 Q C 0.819 176.801 176.000 -0.031 0.000 1.012 824 Q CA 1.880 57.668 55.803 -0.025 0.000 0.891 824 Q CB 0.944 29.670 28.738 -0.021 0.000 1.201 824 Q HN 1.140 nan 8.270 nan 0.000 0.391 825 G N 2.700 111.473 108.800 -0.045 0.000 2.645 825 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 825 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 825 G C -0.584 174.279 174.900 -0.063 0.000 1.331 825 G CA -0.242 44.826 45.100 -0.053 0.000 0.890 825 G HN 1.044 nan 8.290 nan 0.000 0.572 826 A N -1.242 121.537 122.820 -0.069 0.000 2.425 826 A HA 0.503 4.823 4.320 -0.000 0.000 0.249 826 A C 0.852 178.413 177.584 -0.038 0.000 1.084 826 A CA 0.801 52.789 52.037 -0.081 0.000 0.781 826 A CB 0.686 19.630 19.000 -0.094 0.000 1.019 826 A HN 2.290 nan 8.150 nan 0.000 0.490 827 C N 3.983 123.265 119.300 -0.030 0.000 2.168 827 C HA 0.363 4.823 4.460 -0.000 0.000 0.333 827 C C 1.437 176.442 174.990 0.024 0.000 1.106 827 C CA -0.723 58.295 59.018 0.001 0.000 1.574 827 C CB -1.770 25.974 27.740 0.006 0.000 2.055 827 C HN 0.985 nan 8.230 nan 0.000 0.473 828 K N 1.726 122.145 120.400 0.031 0.000 2.103 828 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 828 K C 1.250 177.887 176.600 0.061 0.000 1.048 828 K CA 1.802 58.123 56.287 0.056 0.000 0.930 828 K CB 0.108 32.636 32.500 0.046 0.000 0.716 828 K HN 0.683 nan 8.250 nan 0.000 0.444 829 D N 0.339 120.765 120.400 0.045 0.000 2.178 829 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 829 D C 0.307 176.637 176.300 0.049 0.000 0.974 829 D CA 1.084 55.109 54.000 0.042 0.000 0.841 829 D CB -0.024 40.795 40.800 0.031 0.000 0.953 829 D HN 0.047 nan 8.370 nan 0.000 0.478 830 N N -0.295 118.436 118.700 0.051 0.000 2.685 830 N HA 0.186 4.926 4.740 -0.000 0.000 0.252 830 N C -2.955 172.592 175.510 0.061 0.000 1.261 830 N CA -1.563 51.520 53.050 0.056 0.000 0.768 830 N CB 1.282 39.794 38.487 0.041 0.000 1.304 830 N HN -0.290 nan 8.380 nan 0.000 0.536 831 P HA 0.174 nan 4.420 nan 0.000 0.260 831 P C 0.801 178.136 177.300 0.058 0.000 1.185 831 P CA 0.995 64.152 63.100 0.095 0.000 0.763 831 P CB 0.487 32.347 31.700 0.268 0.000 0.776 832 G N 2.880 111.683 108.800 0.004 0.000 2.278 832 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.210 832 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.210 832 G C 1.158 176.060 174.900 0.002 0.000 1.000 832 G CA 0.194 45.296 45.100 0.003 0.000 0.635 832 G HN 0.520 nan 8.290 nan 0.000 0.495 833 E N 0.560 120.766 120.200 0.010 0.000 2.110 833 E HA -0.155 4.194 4.350 -0.000 0.000 0.193 833 E C 2.221 178.822 176.600 0.001 0.000 0.988 833 E CA 1.383 57.790 56.400 0.012 0.000 0.804 833 E CB -0.132 29.581 29.700 0.021 0.000 0.745 833 E HN 0.484 nan 8.360 nan 0.000 0.458 834 N N 0.567 119.261 118.700 -0.010 0.000 2.142 834 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 834 N C 1.661 177.151 175.510 -0.034 0.000 1.023 834 N CA 1.367 54.406 53.050 -0.018 0.000 0.852 834 N CB -0.494 37.976 38.487 -0.027 0.000 0.998 834 N HN 0.211 nan 8.380 nan 0.000 0.424 835 A N 1.362 124.157 122.820 -0.041 0.000 1.902 835 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 835 A C 2.251 179.814 177.584 -0.036 0.000 1.181 835 A CA 1.196 53.204 52.037 -0.048 0.000 0.623 835 A CB -0.407 18.564 19.000 -0.048 0.000 0.818 835 A HN 0.227 nan 8.150 nan 0.000 0.443 836 R N -1.173 119.315 120.500 -0.021 0.000 2.081 836 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 836 R C 2.497 178.781 176.300 -0.027 0.000 1.131 836 R CA 1.641 57.733 56.100 -0.014 0.000 0.960 836 R CB -0.257 30.043 30.300 -0.000 0.000 0.856 836 R HN 0.635 nan 8.270 nan 0.000 0.436 837 Q N 0.912 120.695 119.800 -0.029 0.000 2.119 837 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 837 Q C 1.864 177.792 176.000 -0.121 0.000 0.972 837 Q CA 1.298 57.070 55.803 -0.051 0.000 0.847 837 Q CB -0.223 28.507 28.738 -0.013 0.000 0.903 837 Q HN 0.227 nan 8.270 nan 0.000 0.433 838 L N 0.106 121.269 121.223 -0.100 0.000 2.046 838 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 838 L C 2.079 178.894 176.870 -0.091 0.000 1.077 838 L CA 2.176 56.945 54.840 -0.118 0.000 0.747 838 L CB -1.179 40.826 42.059 -0.090 0.000 0.896 838 L HN 0.252 nan 8.230 nan 0.000 0.432 839 A N -0.443 122.345 122.820 -0.053 0.000 1.933 839 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 839 A C 2.397 179.959 177.584 -0.038 0.000 1.175 839 A CA 1.651 53.677 52.037 -0.019 0.000 0.628 839 A CB -0.522 18.477 19.000 -0.002 0.000 0.814 839 A HN 0.497 nan 8.150 nan 0.000 0.444 840 R N -0.674 119.786 120.500 -0.066 0.000 2.081 840 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 840 R C 2.008 178.237 176.300 -0.119 0.000 1.131 840 R CA 1.523 57.581 56.100 -0.071 0.000 0.960 840 R CB -0.536 29.728 30.300 -0.060 0.000 0.856 840 R HN 0.587 nan 8.270 nan 0.000 0.436 841 I N 0.393 120.831 120.570 -0.221 0.000 2.226 841 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 841 I C 2.360 178.393 176.117 -0.140 0.000 1.100 841 I CA 1.072 62.194 61.300 -0.298 0.000 1.374 841 I CB -0.245 37.469 38.000 -0.476 0.000 1.057 841 I HN -0.061 nan 8.210 nan 0.000 0.413 842 V N -0.018 119.848 119.914 -0.081 0.000 2.295 842 V HA -0.365 3.755 4.120 -0.000 0.000 0.246 842 V C 2.585 178.663 176.094 -0.027 0.000 1.049 842 V CA 2.043 64.330 62.300 -0.022 0.000 1.024 842 V CB -0.548 31.305 31.823 0.051 0.000 0.648 842 V HN 0.644 nan 8.190 nan 0.000 0.447 843 C N 0.770 120.056 119.300 -0.023 0.000 2.429 843 C HA -0.069 4.390 4.460 -0.000 0.000 0.277 843 C C 2.961 177.939 174.990 -0.019 0.000 1.262 843 C CA 0.990 60.000 59.018 -0.014 0.000 1.733 843 C CB -1.528 26.209 27.740 -0.005 0.000 2.010 843 C HN 0.657 nan 8.230 nan 0.000 0.483 844 G N -0.668 108.116 108.800 -0.028 0.000 2.422 844 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.218 844 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.218 844 G C 1.760 176.651 174.900 -0.014 0.000 1.146 844 G CA 1.581 46.671 45.100 -0.016 0.000 0.769 844 G HN 0.549 nan 8.290 nan 0.000 0.547 845 T N 0.741 115.279 114.554 -0.027 0.000 2.857 845 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 845 T C 2.515 177.195 174.700 -0.034 0.000 1.048 845 T CA 0.933 63.019 62.100 -0.024 0.000 1.139 845 T CB -0.138 68.710 68.868 -0.033 0.000 0.874 845 T HN 0.053 nan 8.240 nan 0.000 0.455 846 V N 1.749 121.638 119.914 -0.042 0.000 2.343 846 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 846 V C 2.454 178.538 176.094 -0.016 0.000 1.051 846 V CA 1.832 64.101 62.300 -0.051 0.000 1.036 846 V CB -0.562 31.238 31.823 -0.040 0.000 0.654 846 V HN 0.483 nan 8.190 nan 0.000 0.451 847 M N -0.206 119.388 119.600 -0.009 0.000 2.149 847 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 847 M C 2.112 178.416 176.300 0.006 0.000 1.064 847 M CA 2.199 57.496 55.300 -0.004 0.000 1.102 847 M CB -0.270 32.318 32.600 -0.020 0.000 1.369 847 M HN 0.355 nan 8.290 nan 0.000 0.408 848 A N -0.070 122.754 122.820 0.006 0.000 1.902 848 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 848 A C 2.253 179.863 177.584 0.042 0.000 1.181 848 A CA 1.776 53.823 52.037 0.018 0.000 0.623 848 A CB -1.586 17.423 19.000 0.016 0.000 0.818 848 A HN 0.627 nan 8.150 nan 0.000 0.443 849 G N -0.540 108.286 108.800 0.043 0.000 2.402 849 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 849 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 849 G C 1.402 176.460 174.900 0.263 0.000 1.162 849 G CA 0.926 46.100 45.100 0.123 0.000 0.777 849 G HN 0.460 nan 8.290 nan 0.000 0.539 850 E N 0.501 120.800 120.200 0.165 0.000 2.058 850 E HA -0.087 4.262 4.350 -0.000 0.000 0.194 850 E C 2.679 179.324 176.600 0.076 0.000 0.997 850 E CA 0.512 56.997 56.400 0.142 0.000 0.801 850 E CB -0.480 29.270 29.700 0.083 0.000 0.746 850 E HN 0.414 nan 8.360 nan 0.000 0.450 851 L N 0.597 121.851 121.223 0.052 0.000 1.990 851 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 851 L C 2.752 179.643 176.870 0.034 0.000 1.072 851 L CA 1.536 56.393 54.840 0.029 0.000 0.755 851 L CB -0.449 41.620 42.059 0.017 0.000 0.889 851 L HN 0.122 nan 8.230 nan 0.000 0.432 852 S N -0.406 115.326 115.700 0.053 0.000 2.368 852 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 852 S C 1.860 176.478 174.600 0.030 0.000 1.029 852 S CA 1.206 59.435 58.200 0.049 0.000 0.988 852 S CB -0.204 63.032 63.200 0.060 0.000 0.838 852 S HN 0.283 nan 8.310 nan 0.000 0.462 853 L N 1.736 122.962 121.223 0.005 0.000 2.046 853 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 853 L C 2.202 179.033 176.870 -0.065 0.000 1.077 853 L CA 1.901 56.679 54.840 -0.104 0.000 0.747 853 L CB -0.745 41.070 42.059 -0.407 0.000 0.896 853 L HN 0.286 nan 8.230 nan 0.000 0.432 854 M N -0.495 119.083 119.600 -0.037 0.000 2.159 854 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 854 M C 2.392 178.680 176.300 -0.020 0.000 1.063 854 M CA 1.724 57.009 55.300 -0.025 0.000 1.110 854 M CB -1.731 30.866 32.600 -0.006 0.000 1.374 854 M HN 0.460 nan 8.290 nan 0.000 0.411 855 A N 0.160 122.976 122.820 -0.007 0.000 1.898 855 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 855 A C 2.445 180.020 177.584 -0.016 0.000 1.181 855 A CA 1.914 53.947 52.037 -0.006 0.000 0.620 855 A CB -0.837 18.173 19.000 0.016 0.000 0.819 855 A HN 0.466 nan 8.150 nan 0.000 0.442 856 A N -0.276 122.552 122.820 0.014 0.000 1.933 856 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 856 A C 2.152 179.727 177.584 -0.014 0.000 1.175 856 A CA 1.421 53.485 52.037 0.045 0.000 0.628 856 A CB -0.563 18.493 19.000 0.093 0.000 0.814 856 A HN 0.465 nan 8.150 nan 0.000 0.444 857 L N -0.826 120.379 121.223 -0.029 0.000 2.056 857 L HA -0.177 4.162 4.340 -0.000 0.000 0.207 857 L C 3.092 179.926 176.870 -0.059 0.000 1.078 857 L CA 1.042 55.857 54.840 -0.041 0.000 0.749 857 L CB -0.525 41.506 42.059 -0.045 0.000 0.901 857 L HN 0.426 nan 8.230 nan 0.000 0.433 858 A N -0.060 122.721 122.820 -0.064 0.000 1.933 858 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 858 A C 2.316 179.829 177.584 -0.119 0.000 1.175 858 A CA 1.746 53.741 52.037 -0.071 0.000 0.628 858 A CB -0.570 18.397 19.000 -0.054 0.000 0.814 858 A HN 0.399 nan 8.150 nan 0.000 0.444 859 A N -1.922 120.775 122.820 -0.205 0.000 2.275 859 A HA 0.433 4.753 4.320 -0.000 0.000 0.212 859 A C 1.653 178.979 177.584 -0.430 0.000 1.201 859 A CA 1.087 52.889 52.037 -0.391 0.000 0.843 859 A CB -0.849 17.745 19.000 -0.676 0.000 0.873 859 A HN 1.908 nan 8.150 nan 0.000 0.492 860 G N -0.928 107.744 108.800 -0.212 0.000 2.198 860 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 860 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 860 G C 0.252 175.190 174.900 0.063 0.000 1.042 860 G CA 0.713 45.770 45.100 -0.071 0.000 0.791 860 G HN 0.804 nan 8.290 nan 0.000 0.502 861 H N -1.592 117.488 119.070 0.016 0.000 2.586 861 H HA 0.282 4.838 4.556 -0.000 0.000 0.273 861 H C 2.391 177.750 175.328 0.052 0.000 0.997 861 H CA 0.044 56.109 56.048 0.029 0.000 1.177 861 H CB 0.521 30.299 29.762 0.027 0.000 1.471 861 H HN 0.319 nan 8.280 nan 0.000 0.538 862 L N 0.687 122.005 121.223 0.159 0.000 1.961 862 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 862 L C 2.034 179.014 176.870 0.183 0.000 1.072 862 L CA 1.519 56.449 54.840 0.150 0.000 0.749 862 L CB -0.573 41.516 42.059 0.051 0.000 0.889 862 L HN 0.037 nan 8.230 nan 0.000 0.432 863 V N 0.209 120.182 119.914 0.099 0.000 2.343 863 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 863 V C 2.712 178.872 176.094 0.110 0.000 1.051 863 V CA 1.842 64.193 62.300 0.085 0.000 1.036 863 V CB -0.932 30.913 31.823 0.037 0.000 0.654 863 V HN 0.433 nan 8.190 nan 0.000 0.451 864 K N 1.238 121.692 120.400 0.091 0.000 2.032 864 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 864 K C 2.484 179.107 176.600 0.039 0.000 1.048 864 K CA 1.960 58.277 56.287 0.050 0.000 0.927 864 K CB -1.064 31.455 32.500 0.031 0.000 0.712 864 K HN 0.684 nan 8.250 nan 0.000 0.441 865 S N 0.749 116.492 115.700 0.072 0.000 2.370 865 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 865 S C 1.960 176.567 174.600 0.012 0.000 1.033 865 S CA 1.305 59.534 58.200 0.049 0.000 1.011 865 S CB -0.628 62.611 63.200 0.065 0.000 0.852 865 S HN 0.376 nan 8.310 nan 0.000 0.457 866 H N 0.655 119.756 119.070 0.052 0.000 2.457 866 H HA 0.222 4.779 4.556 0.000 0.000 0.294 866 H C 2.039 177.377 175.328 0.017 0.000 1.064 866 H CA 1.510 57.586 56.048 0.047 0.000 1.330 866 H CB -0.184 29.598 29.762 0.033 0.000 1.395 866 H HN 0.275 nan 8.280 nan 0.000 0.541 867 M N -0.358 119.291 119.600 0.082 0.000 2.229 867 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 867 M C 2.355 178.627 176.300 -0.046 0.000 1.063 867 M CA 1.083 56.396 55.300 0.022 0.000 1.114 867 M CB -0.533 32.073 32.600 0.009 0.000 1.387 867 M HN 0.407 nan 8.290 nan 0.000 0.420 868 I N -1.053 119.450 120.570 -0.112 0.000 2.480 868 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 868 I C 1.740 177.633 176.117 -0.373 0.000 1.124 868 I CA 1.286 62.421 61.300 -0.275 0.000 1.444 868 I CB -0.058 37.699 38.000 -0.405 0.000 1.098 868 I HN 0.265 nan 8.210 nan 0.000 0.428 869 H N 0.008 119.035 119.070 -0.071 0.000 2.827 869 H HA 0.326 4.882 4.556 -0.000 0.000 0.269 869 H C 0.008 175.297 175.328 -0.065 0.000 1.031 869 H CA -0.107 55.895 56.048 -0.078 0.000 1.202 869 H CB 0.414 30.107 29.762 -0.115 0.000 1.511 869 H HN 0.444 nan 8.280 nan 0.000 0.517 870 N N 0.000 118.730 118.700 0.050 0.000 1.763 870 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 870 N CA 0.000 53.097 53.050 0.078 0.000 0.885 870 N CB 0.000 38.577 38.487 0.150 0.000 1.341 870 N HN 0.000 nan 8.380 nan 0.000 0.667