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 3l4k_1_A DATA FIRST_RESID 421 DATA SEQUENCE SRITNYPKLE DANKAGTKEG YKCTLVLTEG DSALSLAVAG LAVVGRDYYG DATA SEQUENCE CYPLRGKMLN VREASADQIL KNAEIQAIKK IMGLQHRKKY EDTKSLRYGH DATA SEQUENCE LMIMTDQDHD GSHIKGLIIN FLESSFPGLL DIQGFLLEFI TPIIKVSITK DATA SEQUENCE PTKNTIAFYN MPDYEKWREE ESHKFTWKQK YYKGLGTSLA QEVREYFSNL DATA SEQUENCE DRHLKIFHSL QGNDKDYIDL AFSKKKADDR KEWLRQYEPG TVLDPTLKEI DATA SEQUENCE PISDFINKEL ILFSLADNIR SIPNVLDGFK PGQRKVLYGC FKKNLKSELK DATA SEQUENCE VAQLAPYVSE CTAYHHGEQS LAQTIIGLAQ NFVGSNNIYL LLPNGAFGTR DATA SEQUENCE ATGGKDAAAA RYIYTELNKL TRKIFHPADD PLYKYIQEDE KTVEPEWYLP DATA SEQUENCE ILPMILVNGA EGIGTGWSTY IPPFNPLEII KNIRHLMNDE ELEQMHPWFR DATA SEQUENCE GWTGTIEEIE PLRYRMYGRI EQIGDNVLEI TELPARTWTS TIKEYLLLGL DATA SEQUENCE SGNDKIKPWI KDMEEQHDDN IKFIITLSPE EMAKTRKIGF YERFKLISPI DATA SEQUENCE SLMNMVAFDP HGKIKKYNSV NEILSEFYYV RLEYYQKRKD HMSERLQWEV DATA SEQUENCE EKYSFQVKFI KMIIEKELTV TNKPRNAIIQ ELENLGFPRF NKEGKPYYGS DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXEELY GTYEYLLGMR DATA SEQUENCE IWSLTKERYQ KLLKQKQEKE TELENLLKLS AKDIWNTDLK AFEVGYQEFL DATA SEQUENCE QRDAEAR 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 421 S HA 0.000 nan 4.470 nan 0.000 0.327 421 S C 0.000 174.589 174.600 -0.018 0.000 1.055 421 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 421 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 422 R N 1.231 121.726 120.500 -0.008 0.000 2.787 422 R HA 0.694 5.039 4.340 0.009 0.000 0.271 422 R C -0.332 175.977 176.300 0.016 0.000 0.993 422 R CA -1.004 55.097 56.100 0.001 0.000 0.993 422 R CB 1.218 31.519 30.300 0.001 0.000 1.155 422 R HN 0.667 nan 8.270 nan 0.000 0.486 423 I N 0.204 120.795 120.570 0.034 0.000 2.677 423 I HA 0.165 4.341 4.170 0.009 0.000 0.305 423 I C 1.377 177.518 176.117 0.039 0.000 0.988 423 I CA -0.111 61.220 61.300 0.053 0.000 1.260 423 I CB 1.654 39.715 38.000 0.102 0.000 1.410 423 I HN 0.847 nan 8.210 nan 0.000 0.523 424 T N -2.036 112.527 114.554 0.015 0.000 3.057 424 T HA 0.050 4.406 4.350 0.009 0.000 0.254 424 T C 1.287 175.943 174.700 -0.073 0.000 0.965 424 T CA -0.182 61.909 62.100 -0.015 0.000 0.978 424 T CB -0.137 68.716 68.868 -0.025 0.000 1.169 424 T HN 0.416 nan 8.240 nan 0.000 0.489 425 N N 1.450 120.048 118.700 -0.170 0.000 2.132 425 N HA -0.053 4.692 4.740 0.009 0.000 0.191 425 N C -0.574 174.572 175.510 -0.606 0.000 1.015 425 N CA 1.200 53.963 53.050 -0.479 0.000 0.864 425 N CB -0.325 37.686 38.487 -0.793 0.000 1.006 425 N HN 0.602 nan 8.380 nan 0.000 0.430 426 Y N -0.597 119.722 120.300 0.032 0.000 2.376 426 Y HA 0.327 4.882 4.550 0.010 0.000 0.326 426 Y C -1.592 174.373 175.900 0.109 0.000 0.970 426 Y CA -1.924 56.228 58.100 0.086 0.000 1.248 426 Y CB 1.926 40.408 38.460 0.037 0.000 1.117 426 Y HN -0.077 nan 8.280 nan 0.000 0.476 427 P HA -0.106 nan 4.420 nan 0.000 0.216 427 P C 1.119 178.515 177.300 0.160 0.000 1.153 427 P CA 1.355 64.540 63.100 0.141 0.000 0.844 427 P CB 0.402 32.155 31.700 0.089 0.000 0.787 428 K N -0.939 119.579 120.400 0.197 0.000 2.442 428 K HA -0.050 4.275 4.320 0.009 0.000 0.198 428 K C 0.576 177.287 176.600 0.185 0.000 1.042 428 K CA 0.010 56.372 56.287 0.125 0.000 0.958 428 K CB -0.582 31.928 32.500 0.017 0.000 0.766 428 K HN 0.057 nan 8.250 nan 0.000 0.474 429 L N 2.574 123.996 121.223 0.331 0.000 2.433 429 L HA 0.001 4.346 4.340 0.009 0.000 0.275 429 L C -0.394 176.580 176.870 0.175 0.000 1.128 429 L CA 0.513 55.553 54.840 0.334 0.000 0.875 429 L CB 0.441 42.658 42.059 0.263 0.000 1.171 429 L HN -0.041 nan 8.230 nan 0.000 0.463 430 E N 3.836 124.118 120.200 0.137 0.000 1.924 430 E HA 0.083 4.439 4.350 0.009 0.000 0.261 430 E C -0.753 175.915 176.600 0.115 0.000 1.088 430 E CA -0.256 56.200 56.400 0.093 0.000 0.909 430 E CB 0.172 29.906 29.700 0.057 0.000 1.112 430 E HN 0.558 nan 8.360 nan 0.000 0.425 431 D N 1.537 122.009 120.400 0.120 0.000 2.425 431 D HA 0.127 4.772 4.640 0.009 0.000 0.247 431 D C -0.198 176.176 176.300 0.124 0.000 1.147 431 D CA -0.160 53.932 54.000 0.154 0.000 0.879 431 D CB 0.748 41.614 40.800 0.111 0.000 1.179 431 D HN 0.367 nan 8.370 nan 0.000 0.456 432 A N 4.130 127.067 122.820 0.194 0.000 2.498 432 A HA 0.018 4.344 4.320 0.009 0.000 0.239 432 A C 1.385 178.933 177.584 -0.060 0.000 1.068 432 A CA -0.317 51.767 52.037 0.078 0.000 0.766 432 A CB 0.184 19.262 19.000 0.130 0.000 1.003 432 A HN 0.729 nan 8.150 nan 0.000 0.497 433 N N 1.155 119.795 118.700 -0.101 0.000 2.137 433 N HA -0.127 4.618 4.740 0.009 0.000 0.190 433 N C 0.544 175.942 175.510 -0.187 0.000 1.017 433 N CA 1.583 54.553 53.050 -0.133 0.000 0.859 433 N CB -0.105 38.295 38.487 -0.145 0.000 1.002 433 N HN 0.705 nan 8.380 nan 0.000 0.428 434 K N 0.439 120.671 120.400 -0.279 0.000 2.814 434 K HA 0.360 4.686 4.320 0.009 0.000 0.213 434 K C -0.523 175.898 176.600 -0.298 0.000 1.113 434 K CA -0.322 55.793 56.287 -0.287 0.000 1.145 434 K CB 0.832 33.098 32.500 -0.390 0.000 0.948 434 K HN 0.048 nan 8.250 nan 0.000 0.464 435 A N 0.064 122.690 122.820 -0.324 0.000 2.366 435 A HA 0.541 4.867 4.320 0.009 0.000 0.272 435 A C 1.287 178.679 177.584 -0.320 0.000 1.135 435 A CA 0.485 52.215 52.037 -0.510 0.000 0.804 435 A CB 0.137 18.747 19.000 -0.650 0.000 1.064 435 A HN 0.567 nan 8.150 nan 0.000 0.499 436 G N 1.731 110.350 108.800 -0.302 0.000 2.377 436 G HA2 -0.279 3.687 3.960 0.009 0.000 0.250 436 G HA3 -0.279 3.687 3.960 0.009 0.000 0.250 436 G C 0.868 175.714 174.900 -0.091 0.000 1.039 436 G CA 1.407 46.419 45.100 -0.148 0.000 0.625 436 G HN 2.005 nan 8.290 nan 0.000 0.526 437 T N -1.348 113.139 114.554 -0.112 0.000 2.701 437 T HA 0.464 4.819 4.350 0.009 0.000 0.303 437 T C 1.337 176.018 174.700 -0.031 0.000 1.030 437 T CA 0.704 62.761 62.100 -0.071 0.000 1.010 437 T CB 0.729 69.542 68.868 -0.091 0.000 1.007 437 T HN 0.338 nan 8.240 nan 0.000 0.532 438 K N 0.167 120.570 120.400 0.005 0.000 2.442 438 K HA -0.115 4.211 4.320 0.009 0.000 0.200 438 K C 1.318 177.996 176.600 0.130 0.000 1.045 438 K CA 1.433 57.766 56.287 0.076 0.000 0.937 438 K CB -0.115 32.426 32.500 0.069 0.000 0.757 438 K HN 0.672 nan 8.250 nan 0.000 0.474 439 E N -0.484 119.704 120.200 -0.021 0.000 2.496 439 E HA 0.059 4.414 4.350 0.009 0.000 0.200 439 E C 1.401 177.820 176.600 -0.301 0.000 1.016 439 E CA -0.335 55.934 56.400 -0.218 0.000 0.962 439 E CB 0.758 30.400 29.700 -0.098 0.000 1.071 439 E HN 0.339 nan 8.360 nan 0.000 0.457 440 G N 1.126 109.848 108.800 -0.129 0.000 2.440 440 G HA2 -0.338 3.628 3.960 0.009 0.000 0.218 440 G HA3 -0.338 3.628 3.960 0.009 0.000 0.218 440 G C 1.444 176.297 174.900 -0.079 0.000 1.154 440 G CA 1.203 46.227 45.100 -0.127 0.000 0.767 440 G HN 0.506 nan 8.290 nan 0.000 0.552 441 Y N 0.528 120.823 120.300 -0.008 0.000 2.403 441 Y HA 0.151 4.706 4.550 0.009 0.000 0.291 441 Y C 2.360 178.280 175.900 0.034 0.000 1.143 441 Y CA 1.123 59.216 58.100 -0.011 0.000 1.257 441 Y CB -0.286 38.168 38.460 -0.010 0.000 0.984 441 Y HN 0.143 nan 8.280 nan 0.000 0.550 442 K N 0.014 120.125 120.400 -0.482 0.000 2.211 442 K HA 0.103 4.429 4.320 0.009 0.000 0.201 442 K C 0.601 177.216 176.600 0.025 0.000 1.052 442 K CA 0.514 56.664 56.287 -0.228 0.000 0.973 442 K CB -0.153 32.116 32.500 -0.385 0.000 0.766 442 K HN 0.192 nan 8.250 nan 0.000 0.466 443 C N 1.889 121.198 119.300 0.014 0.000 2.689 443 C HA 0.164 4.629 4.460 0.009 0.000 0.409 443 C C 0.722 175.870 174.990 0.263 0.000 1.293 443 C CA -0.203 58.860 59.018 0.075 0.000 2.136 443 C CB 0.367 28.034 27.740 -0.122 0.000 2.719 443 C HN 0.296 nan 8.230 nan 0.000 0.644 444 T N 3.001 117.685 114.554 0.218 0.000 2.861 444 T HA 0.497 4.852 4.350 0.009 0.000 0.287 444 T C -0.841 173.884 174.700 0.042 0.000 1.003 444 T CA -0.344 61.861 62.100 0.175 0.000 0.977 444 T CB 1.315 70.243 68.868 0.100 0.000 0.996 444 T HN 0.450 nan 8.240 nan 0.000 0.448 445 L N 4.403 125.451 121.223 -0.292 0.000 2.287 445 L HA 0.620 4.966 4.340 0.009 0.000 0.287 445 L C -0.823 175.926 176.870 -0.202 0.000 1.022 445 L CA -0.489 54.030 54.840 -0.535 0.000 0.814 445 L CB 1.095 42.584 42.059 -0.951 0.000 1.217 445 L HN 0.442 nan 8.230 nan 0.000 0.420 446 V N 7.028 126.885 119.914 -0.096 0.000 2.353 446 V HA 0.264 4.389 4.120 0.009 0.000 0.264 446 V C 0.296 176.369 176.094 -0.035 0.000 1.049 446 V CA -0.433 61.847 62.300 -0.034 0.000 0.896 446 V CB 0.875 32.690 31.823 -0.014 0.000 1.025 446 V HN 0.561 nan 8.190 nan 0.000 0.475 447 L N 6.216 127.425 121.223 -0.024 0.000 2.295 447 L HA 0.345 4.691 4.340 0.009 0.000 0.288 447 L C 0.916 177.785 176.870 -0.003 0.000 1.079 447 L CA -0.082 54.757 54.840 -0.001 0.000 0.830 447 L CB 1.031 43.096 42.059 0.010 0.000 1.200 447 L HN 0.761 nan 8.230 nan 0.000 0.438 448 T N -0.511 114.029 114.554 -0.024 0.000 2.918 448 T HA 0.234 4.590 4.350 0.009 0.000 0.283 448 T C -0.124 174.563 174.700 -0.022 0.000 1.001 448 T CA -0.851 61.233 62.100 -0.027 0.000 1.041 448 T CB 1.998 70.836 68.868 -0.051 0.000 1.028 448 T HN 0.559 nan 8.240 nan 0.000 0.511 449 E N 1.018 121.218 120.200 -0.000 0.000 2.014 449 E HA 0.483 4.838 4.350 0.009 0.000 0.275 449 E C 0.596 177.195 176.600 -0.002 0.000 0.997 449 E CA -0.176 56.228 56.400 0.008 0.000 0.804 449 E CB -0.466 29.257 29.700 0.038 0.000 1.090 449 E HN 1.208 nan 8.360 nan 0.000 0.401 450 G N 4.246 113.032 108.800 -0.023 0.000 2.795 450 G HA2 -0.241 3.724 3.960 0.009 0.000 0.664 450 G HA3 -0.241 3.724 3.960 0.009 0.000 0.664 450 G C 0.110 174.985 174.900 -0.042 0.000 1.381 450 G CA -0.192 44.894 45.100 -0.025 0.000 0.853 450 G HN 0.641 nan 8.290 nan 0.000 0.545 451 D N -0.087 120.290 120.400 -0.039 0.000 2.289 451 D HA 0.016 4.661 4.640 0.009 0.000 0.207 451 D C 2.736 179.016 176.300 -0.033 0.000 0.966 451 D CA 1.661 55.634 54.000 -0.045 0.000 0.868 451 D CB -0.194 40.582 40.800 -0.040 0.000 0.943 451 D HN 0.673 nan 8.370 nan 0.000 0.514 452 S N 0.827 116.516 115.700 -0.018 0.000 2.368 452 S HA -0.125 4.351 4.470 0.009 0.000 0.225 452 S C 2.172 176.763 174.600 -0.015 0.000 1.030 452 S CA 1.178 59.371 58.200 -0.012 0.000 0.999 452 S CB -0.328 62.873 63.200 0.002 0.000 0.844 452 S HN 0.209 nan 8.310 nan 0.000 0.459 453 A N 1.633 124.445 122.820 -0.013 0.000 1.897 453 A HA 0.186 4.511 4.320 0.009 0.000 0.215 453 A C 2.212 179.770 177.584 -0.043 0.000 1.181 453 A CA 1.322 53.348 52.037 -0.017 0.000 0.620 453 A CB -0.861 18.136 19.000 -0.006 0.000 0.821 453 A HN 0.498 nan 8.150 nan 0.000 0.443 454 L N 1.061 122.253 121.223 -0.052 0.000 2.083 454 L HA -0.159 4.187 4.340 0.009 0.000 0.209 454 L C 2.729 179.560 176.870 -0.064 0.000 1.083 454 L CA 2.639 57.439 54.840 -0.066 0.000 0.752 454 L CB -0.638 41.374 42.059 -0.078 0.000 0.899 454 L HN 0.519 nan 8.230 nan 0.000 0.433 455 S N -0.879 114.789 115.700 -0.055 0.000 2.368 455 S HA -0.265 4.211 4.470 0.009 0.000 0.225 455 S C 2.083 176.641 174.600 -0.070 0.000 1.030 455 S CA 1.541 59.707 58.200 -0.056 0.000 0.999 455 S CB -1.221 61.953 63.200 -0.045 0.000 0.844 455 S HN 0.538 nan 8.310 nan 0.000 0.459 456 L N 1.362 122.548 121.223 -0.062 0.000 2.046 456 L HA 0.010 4.356 4.340 0.009 0.000 0.208 456 L C 2.753 179.564 176.870 -0.098 0.000 1.077 456 L CA 1.413 56.218 54.840 -0.059 0.000 0.747 456 L CB -0.758 41.284 42.059 -0.029 0.000 0.896 456 L HN 0.403 nan 8.230 nan 0.000 0.432 457 A N -0.430 122.323 122.820 -0.111 0.000 1.902 457 A HA -0.181 4.145 4.320 0.009 0.000 0.217 457 A C 2.252 179.735 177.584 -0.168 0.000 1.181 457 A CA 2.015 53.967 52.037 -0.142 0.000 0.623 457 A CB -1.171 17.764 19.000 -0.108 0.000 0.818 457 A HN 0.487 nan 8.150 nan 0.000 0.443 458 V N -2.756 117.081 119.914 -0.127 0.000 2.667 458 V HA 0.070 4.195 4.120 0.009 0.000 0.252 458 V C 2.385 178.380 176.094 -0.164 0.000 1.065 458 V CA 1.714 63.944 62.300 -0.117 0.000 1.083 458 V CB -1.156 30.622 31.823 -0.075 0.000 0.692 458 V HN 0.487 nan 8.190 nan 0.000 0.468 459 A N 1.150 123.855 122.820 -0.191 0.000 2.014 459 A HA 0.197 4.523 4.320 0.009 0.000 0.218 459 A C 2.284 179.621 177.584 -0.412 0.000 1.163 459 A CA 1.400 53.301 52.037 -0.227 0.000 0.652 459 A CB -1.156 17.742 19.000 -0.170 0.000 0.808 459 A HN 0.700 nan 8.150 nan 0.000 0.449 460 G N -0.422 108.003 108.800 -0.625 0.000 2.511 460 G HA2 0.003 3.968 3.960 0.009 0.000 0.217 460 G HA3 0.003 3.968 3.960 0.009 0.000 0.217 460 G C 1.410 175.895 174.900 -0.691 0.000 1.133 460 G CA 0.630 44.995 45.100 -1.224 0.000 0.792 460 G HN 0.425 nan 8.290 nan 0.000 0.539 461 L N 0.613 121.603 121.223 -0.389 0.000 2.131 461 L HA -0.042 4.303 4.340 0.009 0.000 0.210 461 L C 3.183 179.952 176.870 -0.170 0.000 1.092 461 L CA 0.912 55.624 54.840 -0.214 0.000 0.759 461 L CB -0.305 41.688 42.059 -0.110 0.000 0.903 461 L HN 0.291 nan 8.230 nan 0.000 0.435 462 A N -0.820 121.883 122.820 -0.195 0.000 2.216 462 A HA -0.009 4.317 4.320 0.009 0.000 0.214 462 A C 2.065 179.568 177.584 -0.135 0.000 1.160 462 A CA 1.065 53.020 52.037 -0.137 0.000 0.725 462 A CB -0.251 18.671 19.000 -0.129 0.000 0.784 462 A HN 0.264 nan 8.150 nan 0.000 0.472 463 V N -1.141 118.652 119.914 -0.203 0.000 3.151 463 V HA -0.032 4.093 4.120 0.009 0.000 0.241 463 V C 1.936 177.980 176.094 -0.083 0.000 1.173 463 V CA 1.301 63.511 62.300 -0.149 0.000 1.154 463 V CB 0.719 32.415 31.823 -0.212 0.000 0.898 463 V HN 0.487 nan 8.190 nan 0.000 0.473 464 V N -1.694 118.146 119.914 -0.123 0.000 3.578 464 V HA 0.751 4.876 4.120 0.009 0.000 0.290 464 V C 0.786 176.976 176.094 0.159 0.000 1.376 464 V CA 0.054 62.345 62.300 -0.015 0.000 1.083 464 V CB -0.548 31.121 31.823 -0.258 0.000 0.911 464 V HN 0.738 nan 8.190 nan 0.000 0.433 465 G N 1.133 109.985 108.800 0.087 0.000 2.722 465 G HA2 -0.195 3.770 3.960 0.009 0.000 0.686 465 G HA3 -0.195 3.770 3.960 0.009 0.000 0.686 465 G C -0.084 174.914 174.900 0.164 0.000 1.282 465 G CA 0.023 45.197 45.100 0.124 0.000 0.817 465 G HN 0.373 nan 8.290 nan 0.000 0.605 466 R N 0.633 121.177 120.500 0.074 0.000 2.275 466 R HA 0.138 4.483 4.340 0.009 0.000 0.199 466 R C 2.025 178.316 176.300 -0.014 0.000 0.989 466 R CA 1.224 57.357 56.100 0.055 0.000 1.016 466 R CB -0.072 30.234 30.300 0.011 0.000 0.918 466 R HN 0.607 nan 8.270 nan 0.000 0.473 467 D N -0.876 119.467 120.400 -0.094 0.000 2.117 467 D HA -0.169 4.477 4.640 0.009 0.000 0.197 467 D C 0.541 176.460 176.300 -0.635 0.000 0.987 467 D CA 1.499 55.249 54.000 -0.417 0.000 0.829 467 D CB 0.036 40.491 40.800 -0.574 0.000 0.961 467 D HN 0.338 nan 8.370 nan 0.000 0.460 468 Y N -2.122 118.130 120.300 -0.081 0.000 2.612 468 Y HA 0.278 4.834 4.550 0.009 0.000 0.250 468 Y C -0.517 175.137 175.900 -0.410 0.000 1.175 468 Y CA -0.490 57.457 58.100 -0.255 0.000 1.205 468 Y CB 0.236 38.483 38.460 -0.355 0.000 1.201 468 Y HN -0.174 nan 8.280 nan 0.000 0.532 469 Y N -0.036 120.358 120.300 0.157 0.000 2.442 469 Y HA 0.733 5.288 4.550 0.009 0.000 0.344 469 Y C 0.454 176.431 175.900 0.129 0.000 0.976 469 Y CA -1.664 56.521 58.100 0.141 0.000 1.040 469 Y CB 2.170 40.678 38.460 0.081 0.000 1.228 469 Y HN -0.019 nan 8.280 nan 0.000 0.451 470 G N 0.486 109.460 108.800 0.289 0.000 2.672 470 G HA2 0.643 4.608 3.960 0.009 0.000 0.292 470 G HA3 0.643 4.608 3.960 0.009 0.000 0.292 470 G C -1.591 173.334 174.900 0.042 0.000 1.375 470 G CA -0.956 44.245 45.100 0.168 0.000 0.890 470 G HN 0.948 nan 8.290 nan 0.000 0.476 471 C N -1.037 118.286 119.300 0.039 0.000 2.783 471 C HA 0.875 5.341 4.460 0.009 0.000 0.312 471 C C -1.416 173.628 174.990 0.091 0.000 1.182 471 C CA -1.427 57.602 59.018 0.018 0.000 1.432 471 C CB 0.485 28.220 27.740 -0.008 0.000 1.933 471 C HN 0.848 nan 8.230 nan 0.000 0.473 472 Y N 3.214 123.462 120.300 -0.086 0.000 2.421 472 Y HA 0.728 5.283 4.550 0.009 0.000 0.339 472 Y C -2.691 173.170 175.900 -0.064 0.000 0.996 472 Y CA -2.185 55.870 58.100 -0.076 0.000 1.046 472 Y CB 2.628 41.019 38.460 -0.115 0.000 1.226 472 Y HN 0.687 nan 8.280 nan 0.000 0.445 473 P HA 0.241 nan 4.420 nan 0.000 0.281 473 P C -0.988 176.098 177.300 -0.357 0.000 1.252 473 P CA 0.002 62.878 63.100 -0.373 0.000 0.778 473 P CB 1.413 32.906 31.700 -0.345 0.000 0.895 474 L N 4.542 125.677 121.223 -0.148 0.000 2.290 474 L HA 0.316 4.661 4.340 0.009 0.000 0.284 474 L C 2.085 178.911 176.870 -0.074 0.000 1.078 474 L CA -0.551 54.239 54.840 -0.082 0.000 0.815 474 L CB 0.760 42.802 42.059 -0.029 0.000 1.162 474 L HN 0.369 nan 8.230 nan 0.000 0.435 475 R N 2.167 122.629 120.500 -0.062 0.000 2.073 475 R HA 0.009 4.354 4.340 0.009 0.000 0.234 475 R C 0.850 177.145 176.300 -0.009 0.000 1.134 475 R CA 1.155 57.233 56.100 -0.037 0.000 0.952 475 R CB 0.017 30.306 30.300 -0.018 0.000 0.850 475 R HN 0.870 nan 8.270 nan 0.000 0.433 476 G N -0.661 108.138 108.800 -0.001 0.000 2.749 476 G HA2 0.248 4.213 3.960 0.009 0.000 0.300 476 G HA3 0.248 4.213 3.960 0.009 0.000 0.300 476 G C -1.365 173.543 174.900 0.014 0.000 1.352 476 G CA -0.823 44.289 45.100 0.020 0.000 0.789 476 G HN -0.165 nan 8.290 nan 0.000 0.509 477 K N 0.514 120.936 120.400 0.037 0.000 2.489 477 K HA 0.066 4.391 4.320 0.009 0.000 0.278 477 K C 0.354 176.943 176.600 -0.018 0.000 1.000 477 K CA 0.037 56.335 56.287 0.019 0.000 1.012 477 K CB 1.075 33.630 32.500 0.091 0.000 0.903 477 K HN 0.522 nan 8.250 nan 0.000 0.485 478 M N 2.969 122.525 119.600 -0.074 0.000 2.241 478 M HA 0.056 4.542 4.480 0.009 0.000 0.335 478 M C -0.141 176.103 176.300 -0.094 0.000 1.122 478 M CA -0.593 54.647 55.300 -0.102 0.000 1.164 478 M CB 0.533 33.050 32.600 -0.138 0.000 1.459 478 M HN 0.455 nan 8.290 nan 0.000 0.461 479 L N 4.139 125.294 121.223 -0.115 0.000 2.456 479 L HA 0.132 4.478 4.340 0.009 0.000 0.272 479 L C -0.174 176.645 176.870 -0.085 0.000 1.189 479 L CA 0.342 55.133 54.840 -0.081 0.000 0.846 479 L CB 0.253 42.254 42.059 -0.096 0.000 1.111 479 L HN 0.707 nan 8.230 nan 0.000 0.475 480 N N 3.402 122.095 118.700 -0.012 0.000 2.439 480 N HA 0.046 4.791 4.740 0.009 0.000 0.243 480 N C 0.720 176.241 175.510 0.019 0.000 1.088 480 N CA -0.003 53.057 53.050 0.017 0.000 0.940 480 N CB 0.943 39.497 38.487 0.112 0.000 1.180 480 N HN 0.577 nan 8.380 nan 0.000 0.505 481 V N 1.503 121.423 119.914 0.010 0.000 3.383 481 V HA 0.106 4.231 4.120 0.009 0.000 0.272 481 V C 0.746 176.867 176.094 0.045 0.000 1.181 481 V CA 0.628 62.947 62.300 0.032 0.000 1.171 481 V CB -0.888 30.990 31.823 0.093 0.000 0.800 481 V HN 0.396 nan 8.190 nan 0.000 0.515 482 R N 1.410 121.944 120.500 0.057 0.000 2.312 482 R HA 0.406 4.751 4.340 0.009 0.000 0.311 482 R C 0.200 176.534 176.300 0.056 0.000 1.004 482 R CA -0.135 56.001 56.100 0.061 0.000 0.902 482 R CB 0.616 30.968 30.300 0.087 0.000 1.073 482 R HN 0.487 nan 8.270 nan 0.000 0.457 483 E N -0.787 119.437 120.200 0.041 0.000 2.513 483 E HA -0.222 4.134 4.350 0.009 0.000 0.257 483 E C -1.107 175.512 176.600 0.032 0.000 1.098 483 E CA 0.988 57.409 56.400 0.035 0.000 0.752 483 E CB -1.808 27.918 29.700 0.043 0.000 1.324 483 E HN 0.665 nan 8.360 nan 0.000 0.403 484 A N 0.356 123.192 122.820 0.026 0.000 2.331 484 A HA 0.600 4.926 4.320 0.009 0.000 0.320 484 A C 0.296 177.887 177.584 0.012 0.000 1.138 484 A CA -0.392 51.657 52.037 0.020 0.000 0.790 484 A CB 1.363 20.373 19.000 0.017 0.000 1.206 484 A HN 0.092 nan 8.150 nan 0.000 0.470 485 S N 1.235 116.942 115.700 0.011 0.000 2.560 485 S HA 0.300 4.775 4.470 0.009 0.000 0.284 485 S C 1.682 176.284 174.600 0.003 0.000 1.327 485 S CA 0.112 58.315 58.200 0.006 0.000 1.055 485 S CB 1.215 64.420 63.200 0.008 0.000 0.868 485 S HN 1.282 nan 8.310 nan 0.000 0.506 486 A N 2.805 125.622 122.820 -0.005 0.000 2.032 486 A HA -0.228 4.098 4.320 0.009 0.000 0.221 486 A C 1.759 179.346 177.584 0.005 0.000 1.165 486 A CA 2.135 54.167 52.037 -0.008 0.000 0.645 486 A CB -0.886 18.099 19.000 -0.025 0.000 0.807 486 A HN 0.966 nan 8.150 nan 0.000 0.453 487 D N -1.055 119.349 120.400 0.006 0.000 2.117 487 D HA -0.250 4.396 4.640 0.009 0.000 0.198 487 D C 1.989 178.298 176.300 0.016 0.000 0.982 487 D CA 1.414 55.421 54.000 0.012 0.000 0.828 487 D CB -0.594 40.213 40.800 0.011 0.000 0.967 487 D HN 0.605 nan 8.370 nan 0.000 0.464 488 Q N 0.044 119.852 119.800 0.013 0.000 2.079 488 Q HA -0.108 4.237 4.340 0.009 0.000 0.200 488 Q C 2.292 178.297 176.000 0.009 0.000 0.974 488 Q CA 1.168 56.979 55.803 0.013 0.000 0.840 488 Q CB -0.084 28.662 28.738 0.013 0.000 0.898 488 Q HN 0.438 nan 8.270 nan 0.000 0.430 489 I N 0.607 121.181 120.570 0.007 0.000 2.179 489 I HA -0.313 3.863 4.170 0.009 0.000 0.242 489 I C 2.213 178.342 176.117 0.019 0.000 1.088 489 I CA 1.007 62.308 61.300 0.003 0.000 1.357 489 I CB -0.266 37.744 38.000 0.017 0.000 1.051 489 I HN 0.280 nan 8.210 nan 0.000 0.409 490 L N 0.569 121.811 121.223 0.032 0.000 2.131 490 L HA -0.204 4.141 4.340 0.009 0.000 0.210 490 L C 2.561 179.456 176.870 0.041 0.000 1.092 490 L CA 1.261 56.128 54.840 0.046 0.000 0.759 490 L CB -0.527 41.557 42.059 0.042 0.000 0.903 490 L HN 0.242 nan 8.230 nan 0.000 0.435 491 K N 0.657 121.075 120.400 0.030 0.000 2.217 491 K HA -0.115 4.210 4.320 0.009 0.000 0.202 491 K C 0.930 177.549 176.600 0.032 0.000 1.051 491 K CA 0.337 56.643 56.287 0.031 0.000 0.952 491 K CB 0.037 32.552 32.500 0.025 0.000 0.736 491 K HN 0.252 nan 8.250 nan 0.000 0.453 492 N N 0.592 119.304 118.700 0.020 0.000 2.400 492 N HA 0.001 4.746 4.740 0.009 0.000 0.267 492 N C 0.590 176.118 175.510 0.030 0.000 1.208 492 N CA -0.151 52.906 53.050 0.011 0.000 0.951 492 N CB 0.990 39.460 38.487 -0.028 0.000 1.227 492 N HN 0.236 nan 8.380 nan 0.000 0.488 493 A N 3.362 126.217 122.820 0.059 0.000 1.978 493 A HA -0.227 4.098 4.320 0.009 0.000 0.220 493 A C 1.991 179.638 177.584 0.106 0.000 1.170 493 A CA 1.440 53.541 52.037 0.107 0.000 0.636 493 A CB -0.357 18.722 19.000 0.132 0.000 0.810 493 A HN 0.800 nan 8.150 nan 0.000 0.448 494 E N 0.633 120.869 120.200 0.059 0.000 2.023 494 E HA -0.183 4.172 4.350 0.009 0.000 0.196 494 E C 1.704 178.294 176.600 -0.015 0.000 1.003 494 E CA 1.862 58.285 56.400 0.039 0.000 0.809 494 E CB -0.501 29.198 29.700 -0.003 0.000 0.755 494 E HN 0.612 nan 8.360 nan 0.000 0.449 495 I N 0.503 121.020 120.570 -0.087 0.000 2.208 495 I HA -0.295 3.880 4.170 0.009 0.000 0.245 495 I C 2.384 178.508 176.117 0.012 0.000 1.097 495 I CA 1.263 62.468 61.300 -0.158 0.000 1.363 495 I CB -0.401 37.434 38.000 -0.276 0.000 1.051 495 I HN 0.228 nan 8.210 nan 0.000 0.413 496 Q N 0.549 120.376 119.800 0.045 0.000 2.170 496 Q HA -0.139 4.206 4.340 0.009 0.000 0.203 496 Q C 2.428 178.464 176.000 0.061 0.000 0.976 496 Q CA 1.680 57.542 55.803 0.099 0.000 0.858 496 Q CB -0.513 28.301 28.738 0.127 0.000 0.907 496 Q HN 0.571 nan 8.270 nan 0.000 0.433 497 A N 0.950 123.745 122.820 -0.043 0.000 1.902 497 A HA -0.145 4.180 4.320 0.009 0.000 0.217 497 A C 2.173 179.464 177.584 -0.488 0.000 1.181 497 A CA 1.120 52.854 52.037 -0.505 0.000 0.623 497 A CB -0.609 18.043 19.000 -0.581 0.000 0.818 497 A HN 0.312 nan 8.150 nan 0.000 0.443 498 I N -0.733 119.725 120.570 -0.187 0.000 2.252 498 I HA -0.241 3.935 4.170 0.009 0.000 0.245 498 I C 2.418 178.526 176.117 -0.015 0.000 1.102 498 I CA 1.440 62.690 61.300 -0.083 0.000 1.385 498 I CB -0.322 37.754 38.000 0.125 0.000 1.064 498 I HN 0.288 nan 8.210 nan 0.000 0.414 499 K N 0.674 121.128 120.400 0.090 0.000 2.097 499 K HA -0.160 4.165 4.320 0.009 0.000 0.206 499 K C 2.093 178.725 176.600 0.054 0.000 1.049 499 K CA 1.088 57.449 56.287 0.124 0.000 0.933 499 K CB -0.004 32.627 32.500 0.219 0.000 0.717 499 K HN 0.138 nan 8.250 nan 0.000 0.442 500 K N 0.670 121.089 120.400 0.031 0.000 2.167 500 K HA 0.032 4.358 4.320 0.009 0.000 0.203 500 K C 1.999 178.613 176.600 0.023 0.000 1.052 500 K CA 0.922 57.245 56.287 0.059 0.000 0.956 500 K CB -0.034 32.560 32.500 0.157 0.000 0.735 500 K HN 0.204 nan 8.250 nan 0.000 0.451 501 I N 0.503 121.023 120.570 -0.082 0.000 2.500 501 I HA -0.117 4.058 4.170 0.009 0.000 0.252 501 I C 1.867 178.041 176.117 0.094 0.000 1.142 501 I CA 0.728 61.998 61.300 -0.050 0.000 1.451 501 I CB -0.090 37.755 38.000 -0.259 0.000 1.093 501 I HN 0.024 nan 8.210 nan 0.000 0.430 502 M N 0.110 119.732 119.600 0.036 0.000 2.502 502 M HA 0.209 4.695 4.480 0.009 0.000 0.243 502 M C 1.261 177.594 176.300 0.055 0.000 1.130 502 M CA 0.491 55.843 55.300 0.087 0.000 1.055 502 M CB -0.537 32.041 32.600 -0.036 0.000 1.457 502 M HN 0.358 nan 8.290 nan 0.000 0.488 503 G N 2.594 111.419 108.800 0.042 0.000 2.338 503 G HA2 -0.236 3.729 3.960 0.009 0.000 0.296 503 G HA3 -0.236 3.729 3.960 0.009 0.000 0.296 503 G C -0.201 174.719 174.900 0.033 0.000 1.040 503 G CA 0.025 45.151 45.100 0.043 0.000 1.004 503 G HN 0.416 nan 8.290 nan 0.000 0.509 504 L N -0.767 120.454 121.223 -0.003 0.000 2.343 504 L HA 0.719 5.065 4.340 0.009 0.000 0.275 504 L C 0.643 177.616 176.870 0.173 0.000 1.056 504 L CA -0.651 54.158 54.840 -0.052 0.000 0.804 504 L CB 1.647 43.407 42.059 -0.498 0.000 1.203 504 L HN 0.445 nan 8.230 nan 0.000 0.440 505 Q N -0.014 119.982 119.800 0.327 0.000 2.565 505 Q HA 0.312 4.657 4.340 0.009 0.000 0.294 505 Q C -0.106 176.104 176.000 0.350 0.000 1.005 505 Q CA -0.867 55.109 55.803 0.288 0.000 0.771 505 Q CB 2.233 31.076 28.738 0.174 0.000 1.486 505 Q HN 0.528 nan 8.270 nan 0.000 0.422 506 H N 0.143 119.366 119.070 0.255 0.000 2.355 506 H HA 0.116 4.678 4.556 0.009 0.000 0.303 506 H C -0.004 175.369 175.328 0.075 0.000 1.061 506 H CA 0.672 56.811 56.048 0.151 0.000 1.368 506 H CB 0.389 30.161 29.762 0.016 0.000 1.412 506 H HN 0.249 nan 8.280 nan 0.000 0.523 507 R N 2.478 123.062 120.500 0.140 0.000 2.583 507 R HA -0.070 4.275 4.340 0.009 0.000 0.274 507 R C 0.561 176.830 176.300 -0.051 0.000 0.998 507 R CA 0.509 56.632 56.100 0.038 0.000 1.081 507 R CB 0.512 30.819 30.300 0.011 0.000 0.940 507 R HN 0.359 nan 8.270 nan 0.000 0.413 508 K N 0.620 121.001 120.400 -0.031 0.000 1.882 508 K HA -0.322 4.004 4.320 0.009 0.000 0.199 508 K C -0.179 176.397 176.600 -0.041 0.000 1.562 508 K CA 1.412 57.670 56.287 -0.049 0.000 0.515 508 K CB -0.602 31.846 32.500 -0.086 0.000 0.682 508 K HN 0.587 nan 8.250 nan 0.000 0.843 509 K N 0.634 120.994 120.400 -0.067 0.000 2.397 509 K HA 0.307 4.633 4.320 0.009 0.000 0.253 509 K C -1.366 175.196 176.600 -0.063 0.000 0.932 509 K CA -0.564 55.713 56.287 -0.017 0.000 0.795 509 K CB 0.913 33.415 32.500 0.004 0.000 1.159 509 K HN 0.323 nan 8.250 nan 0.000 0.424 510 Y N 2.315 122.587 120.300 -0.045 0.000 2.526 510 Y HA -0.070 4.485 4.550 0.010 0.000 0.330 510 Y C 1.331 177.176 175.900 -0.091 0.000 1.156 510 Y CA 0.479 58.527 58.100 -0.087 0.000 1.419 510 Y CB 1.138 39.507 38.460 -0.152 0.000 1.250 510 Y HN 0.801 nan 8.280 nan 0.000 0.540 511 E N 0.793 121.008 120.200 0.025 0.000 2.175 511 E HA 0.066 4.421 4.350 0.009 0.000 0.195 511 E C -0.607 175.989 176.600 -0.007 0.000 0.934 511 E CA 0.762 57.160 56.400 -0.004 0.000 0.870 511 E CB 0.555 30.237 29.700 -0.030 0.000 0.838 511 E HN 0.610 nan 8.360 nan 0.000 0.474 512 D N -1.426 118.976 120.400 0.003 0.000 2.547 512 D HA 0.122 4.768 4.640 0.009 0.000 0.231 512 D C -0.192 176.115 176.300 0.011 0.000 1.099 512 D CA 0.033 54.023 54.000 -0.016 0.000 0.901 512 D CB 1.864 42.640 40.800 -0.040 0.000 1.478 512 D HN 0.066 nan 8.370 nan 0.000 0.471 513 T N -1.723 112.819 114.554 -0.019 0.000 3.252 513 T HA 0.009 4.364 4.350 0.009 0.000 0.250 513 T C 1.037 175.772 174.700 0.059 0.000 1.123 513 T CA 0.096 62.197 62.100 0.002 0.000 1.006 513 T CB 0.040 68.925 68.868 0.029 0.000 0.992 513 T HN 0.084 nan 8.240 nan 0.000 0.547 514 K N 2.128 122.545 120.400 0.028 0.000 2.148 514 K HA 0.003 4.329 4.320 0.009 0.000 0.204 514 K C 2.284 178.912 176.600 0.047 0.000 1.050 514 K CA 1.270 57.572 56.287 0.024 0.000 0.942 514 K CB -0.574 31.901 32.500 -0.042 0.000 0.724 514 K HN 0.665 nan 8.250 nan 0.000 0.446 515 S N 0.273 116.005 115.700 0.053 0.000 2.701 515 S HA 0.158 4.633 4.470 0.009 0.000 0.220 515 S C 0.728 175.373 174.600 0.075 0.000 0.954 515 S CA -0.358 57.873 58.200 0.052 0.000 0.936 515 S CB -0.470 62.748 63.200 0.030 0.000 0.777 515 S HN 0.049 nan 8.310 nan 0.000 0.518 516 L N 0.645 121.914 121.223 0.076 0.000 2.322 516 L HA 0.567 4.913 4.340 0.009 0.000 0.269 516 L C 1.525 178.417 176.870 0.037 0.000 1.012 516 L CA -1.322 53.557 54.840 0.065 0.000 0.815 516 L CB 0.973 43.071 42.059 0.064 0.000 1.295 516 L HN -0.090 nan 8.230 nan 0.000 0.438 517 R N 0.464 120.980 120.500 0.028 0.000 2.092 517 R HA 0.004 4.350 4.340 0.009 0.000 0.231 517 R C -0.458 175.697 176.300 -0.241 0.000 1.119 517 R CA 1.227 57.279 56.100 -0.079 0.000 0.970 517 R CB -0.130 30.164 30.300 -0.010 0.000 0.864 517 R HN 0.410 nan 8.270 nan 0.000 0.440 518 Y N -2.051 118.247 120.300 -0.002 0.000 2.562 518 Y HA 0.413 4.968 4.550 0.009 0.000 0.343 518 Y C 1.331 177.244 175.900 0.022 0.000 1.025 518 Y CA -0.623 57.473 58.100 -0.007 0.000 1.082 518 Y CB 1.997 40.438 38.460 -0.031 0.000 1.264 518 Y HN -0.054 nan 8.280 nan 0.000 0.478 519 G N -0.243 108.638 108.800 0.135 0.000 3.044 519 G HA2 0.122 4.087 3.960 0.009 0.000 0.223 519 G HA3 0.122 4.087 3.960 0.009 0.000 0.223 519 G C -0.167 174.499 174.900 -0.390 0.000 1.123 519 G CA 0.203 45.289 45.100 -0.023 0.000 0.765 519 G HN 0.548 nan 8.290 nan 0.000 0.546 520 H N -1.080 117.963 119.070 -0.046 0.000 2.996 520 H HA 0.437 4.999 4.556 0.010 0.000 0.368 520 H C -1.762 173.270 175.328 -0.493 0.000 1.185 520 H CA -0.707 55.121 56.048 -0.367 0.000 1.160 520 H CB 2.582 32.258 29.762 -0.143 0.000 1.820 520 H HN 0.030 nan 8.280 nan 0.000 0.547 521 L N 3.017 123.869 121.223 -0.617 0.000 2.372 521 L HA 0.426 4.772 4.340 0.009 0.000 0.274 521 L C -0.752 175.998 176.870 -0.200 0.000 0.988 521 L CA -0.337 54.252 54.840 -0.418 0.000 0.833 521 L CB 1.466 43.212 42.059 -0.521 0.000 1.236 521 L HN 0.629 nan 8.230 nan 0.000 0.410 522 M N 5.580 125.133 119.600 -0.079 0.000 2.336 522 M HA 0.579 5.065 4.480 0.009 0.000 0.342 522 M C -1.410 174.913 176.300 0.037 0.000 1.128 522 M CA -0.451 54.863 55.300 0.024 0.000 1.016 522 M CB 1.298 33.951 32.600 0.088 0.000 1.665 522 M HN 0.551 nan 8.290 nan 0.000 0.445 523 I N 5.497 126.124 120.570 0.094 0.000 2.330 523 I HA 0.322 4.497 4.170 0.009 0.000 0.289 523 I C -0.674 175.528 176.117 0.142 0.000 1.001 523 I CA -0.231 61.126 61.300 0.095 0.000 1.193 523 I CB 1.520 39.581 38.000 0.100 0.000 1.345 523 I HN 0.752 nan 8.210 nan 0.000 0.461 524 M N 6.923 126.584 119.600 0.101 0.000 2.060 524 M HA 0.275 4.761 4.480 0.009 0.000 0.342 524 M C -0.190 176.170 176.300 0.100 0.000 1.031 524 M CA -0.361 55.009 55.300 0.116 0.000 0.981 524 M CB 1.219 33.830 32.600 0.018 0.000 1.376 524 M HN 0.684 nan 8.290 nan 0.000 0.397 525 T N -2.118 112.518 114.554 0.137 0.000 2.949 525 T HA 0.384 4.739 4.350 0.009 0.000 0.287 525 T C 0.634 175.405 174.700 0.120 0.000 1.034 525 T CA -0.899 61.270 62.100 0.116 0.000 1.018 525 T CB 1.352 70.296 68.868 0.127 0.000 1.135 525 T HN 0.417 nan 8.240 nan 0.000 0.532 526 D N -0.259 120.199 120.400 0.097 0.000 2.221 526 D HA -0.102 4.543 4.640 0.009 0.000 0.204 526 D C 1.284 177.623 176.300 0.065 0.000 0.982 526 D CA 1.854 55.900 54.000 0.076 0.000 0.857 526 D CB -0.183 40.660 40.800 0.071 0.000 0.934 526 D HN 0.770 nan 8.370 nan 0.000 0.475 527 Q N -0.181 119.670 119.800 0.086 0.000 2.459 527 Q HA -0.149 4.196 4.340 0.009 0.000 0.244 527 Q C -1.182 174.826 176.000 0.013 0.000 0.737 527 Q CA 1.046 56.889 55.803 0.067 0.000 1.243 527 Q CB -1.610 27.148 28.738 0.033 0.000 1.302 527 Q HN 0.471 nan 8.270 nan 0.000 0.740 528 D N -2.269 118.153 120.400 0.036 0.000 2.478 528 D HA 0.327 4.973 4.640 0.009 0.000 0.263 528 D C 0.913 177.259 176.300 0.076 0.000 1.153 528 D CA 0.176 54.184 54.000 0.015 0.000 1.038 528 D CB -0.034 40.830 40.800 0.106 0.000 1.120 528 D HN 0.271 nan 8.370 nan 0.000 0.564 529 H N -0.887 118.334 119.070 0.253 0.000 2.319 529 H HA -0.099 4.463 4.556 0.009 0.000 0.299 529 H C 1.095 176.639 175.328 0.359 0.000 1.092 529 H CA 1.916 58.178 56.048 0.356 0.000 1.302 529 H CB 0.145 30.160 29.762 0.422 0.000 1.373 529 H HN 0.445 nan 8.280 nan 0.000 0.497 530 D N -0.164 120.516 120.400 0.466 0.000 2.178 530 D HA -0.110 4.535 4.640 0.009 0.000 0.201 530 D C 2.410 178.773 176.300 0.106 0.000 0.980 530 D CA 1.177 55.316 54.000 0.230 0.000 0.842 530 D CB -0.336 40.655 40.800 0.318 0.000 0.948 530 D HN 0.534 nan 8.370 nan 0.000 0.472 531 G N 0.572 109.463 108.800 0.151 0.000 2.422 531 G HA2 -0.221 3.744 3.960 0.009 0.000 0.218 531 G HA3 -0.221 3.744 3.960 0.009 0.000 0.218 531 G C 1.863 176.853 174.900 0.150 0.000 1.146 531 G CA 0.645 45.823 45.100 0.130 0.000 0.769 531 G HN 0.182 nan 8.290 nan 0.000 0.547 532 S N -0.731 115.076 115.700 0.179 0.000 2.383 532 S HA -0.099 4.377 4.470 0.009 0.000 0.227 532 S C 1.939 176.667 174.600 0.213 0.000 1.026 532 S CA 0.885 59.236 58.200 0.253 0.000 0.981 532 S CB -0.438 62.907 63.200 0.242 0.000 0.818 532 S HN 0.654 nan 8.310 nan 0.000 0.472 533 H N 0.809 119.777 119.070 -0.169 0.000 2.389 533 H HA -0.011 4.550 4.556 0.008 0.000 0.299 533 H C 1.834 177.151 175.328 -0.019 0.000 1.081 533 H CA 1.109 56.988 56.048 -0.282 0.000 1.345 533 H CB 0.036 29.164 29.762 -1.057 0.000 1.393 533 H HN 0.249 nan 8.280 nan 0.000 0.520 534 I N 1.567 122.089 120.570 -0.079 0.000 2.179 534 I HA -0.268 3.907 4.170 0.009 0.000 0.242 534 I C 2.328 178.429 176.117 -0.026 0.000 1.088 534 I CA 1.258 62.506 61.300 -0.087 0.000 1.357 534 I CB -0.947 37.051 38.000 -0.003 0.000 1.051 534 I HN 0.258 nan 8.210 nan 0.000 0.409 535 K N 0.801 121.257 120.400 0.092 0.000 2.001 535 K HA -0.174 4.151 4.320 0.009 0.000 0.214 535 K C 2.204 178.855 176.600 0.084 0.000 1.050 535 K CA 1.737 58.092 56.287 0.114 0.000 0.934 535 K CB -0.802 31.868 32.500 0.283 0.000 0.718 535 K HN 0.443 nan 8.250 nan 0.000 0.443 536 G N 1.452 110.423 108.800 0.285 0.000 2.469 536 G HA2 -0.248 3.718 3.960 0.009 0.000 0.220 536 G HA3 -0.248 3.718 3.960 0.009 0.000 0.220 536 G C 1.501 176.187 174.900 -0.355 0.000 1.136 536 G CA 0.814 46.112 45.100 0.329 0.000 0.759 536 G HN 0.106 nan 8.290 nan 0.000 0.562 537 L N -0.026 120.971 121.223 -0.376 0.000 2.093 537 L HA 0.024 4.369 4.340 0.009 0.000 0.208 537 L C 2.859 179.584 176.870 -0.242 0.000 1.085 537 L CA 0.550 55.089 54.840 -0.502 0.000 0.755 537 L CB -0.299 41.540 42.059 -0.367 0.000 0.904 537 L HN 0.223 nan 8.230 nan 0.000 0.435 538 I N -0.116 120.387 120.570 -0.112 0.000 2.142 538 I HA -0.325 3.851 4.170 0.009 0.000 0.240 538 I C 2.438 178.534 176.117 -0.035 0.000 1.078 538 I CA 1.537 62.853 61.300 0.025 0.000 1.343 538 I CB -0.317 37.683 38.000 -0.000 0.000 1.046 538 I HN 0.152 nan 8.210 nan 0.000 0.405 539 I N 1.023 121.503 120.570 -0.149 0.000 2.118 539 I HA -0.367 3.809 4.170 0.009 0.000 0.241 539 I C 2.420 178.455 176.117 -0.137 0.000 1.070 539 I CA 2.072 63.266 61.300 -0.177 0.000 1.327 539 I CB -0.716 37.167 38.000 -0.194 0.000 1.034 539 I HN 0.348 nan 8.210 nan 0.000 0.405 540 N N 1.080 119.641 118.700 -0.233 0.000 2.094 540 N HA -0.287 4.458 4.740 0.009 0.000 0.191 540 N C 1.849 177.328 175.510 -0.052 0.000 1.023 540 N CA 1.579 54.492 53.050 -0.228 0.000 0.857 540 N CB -0.323 37.770 38.487 -0.656 0.000 1.013 540 N HN 0.324 nan 8.380 nan 0.000 0.426 541 F N 0.827 120.673 119.950 -0.173 0.000 2.134 541 F HA 0.018 4.550 4.527 0.009 0.000 0.299 541 F C 1.690 177.495 175.800 0.008 0.000 1.097 541 F CA 1.179 59.131 58.000 -0.080 0.000 1.264 541 F CB -0.603 38.358 39.000 -0.064 0.000 1.001 541 F HN 0.090 nan 8.300 nan 0.000 0.479 542 L N 0.030 121.053 121.223 -0.333 0.000 2.044 542 L HA -0.143 4.202 4.340 0.009 0.000 0.205 542 L C 2.638 179.446 176.870 -0.104 0.000 1.075 542 L CA 1.686 56.354 54.840 -0.287 0.000 0.747 542 L CB -0.974 40.964 42.059 -0.201 0.000 0.903 542 L HN 0.131 nan 8.230 nan 0.000 0.435 543 E N -0.073 120.078 120.200 -0.081 0.000 2.153 543 E HA -0.234 4.121 4.350 0.009 0.000 0.194 543 E C 2.212 178.796 176.600 -0.027 0.000 0.988 543 E CA 1.685 58.062 56.400 -0.039 0.000 0.811 543 E CB 0.133 29.823 29.700 -0.017 0.000 0.746 543 E HN 0.329 nan 8.360 nan 0.000 0.466 544 S N -0.561 115.119 115.700 -0.034 0.000 2.371 544 S HA -0.031 4.444 4.470 0.009 0.000 0.221 544 S C 2.109 176.664 174.600 -0.075 0.000 1.036 544 S CA 1.186 59.375 58.200 -0.019 0.000 0.965 544 S CB -0.108 63.106 63.200 0.023 0.000 0.845 544 S HN 0.273 nan 8.310 nan 0.000 0.475 545 S N 0.622 116.202 115.700 -0.199 0.000 2.383 545 S HA 0.127 4.602 4.470 0.009 0.000 0.227 545 S C -0.016 174.121 174.600 -0.771 0.000 1.026 545 S CA 0.762 58.630 58.200 -0.554 0.000 0.981 545 S CB -0.294 62.304 63.200 -1.004 0.000 0.818 545 S HN 0.564 nan 8.310 nan 0.000 0.472 546 F N 2.537 122.428 119.950 -0.099 0.000 2.532 546 F HA 0.394 4.926 4.527 0.009 0.000 0.365 546 F C -2.742 173.040 175.800 -0.031 0.000 1.112 546 F CA -2.667 55.289 58.000 -0.072 0.000 1.082 546 F CB 1.180 40.007 39.000 -0.288 0.000 1.319 546 F HN -0.130 nan 8.300 nan 0.000 0.457 547 P HA 0.142 nan 4.420 nan 0.000 0.267 547 P C 0.845 178.225 177.300 0.133 0.000 1.205 547 P CA 0.748 63.914 63.100 0.110 0.000 0.765 547 P CB 1.307 33.060 31.700 0.088 0.000 0.828 548 G N 2.196 111.026 108.800 0.051 0.000 2.179 548 G HA2 -0.327 3.638 3.960 0.009 0.000 0.260 548 G HA3 -0.327 3.638 3.960 0.009 0.000 0.260 548 G C 0.623 175.490 174.900 -0.055 0.000 0.977 548 G CA 0.284 45.397 45.100 0.021 0.000 0.641 548 G HN 0.531 nan 8.290 nan 0.000 0.533 549 L N 0.383 121.529 121.223 -0.128 0.000 2.056 549 L HA 0.271 4.616 4.340 0.009 0.000 0.207 549 L C 2.531 179.161 176.870 -0.400 0.000 1.078 549 L CA 2.268 56.851 54.840 -0.428 0.000 0.749 549 L CB -0.313 41.434 42.059 -0.520 0.000 0.901 549 L HN 0.410 nan 8.230 nan 0.000 0.433 550 L N -1.077 120.030 121.223 -0.192 0.000 2.591 550 L HA 0.005 4.350 4.340 0.009 0.000 0.228 550 L C 1.665 178.490 176.870 -0.075 0.000 1.133 550 L CA -0.045 54.736 54.840 -0.100 0.000 0.880 550 L CB -0.558 41.465 42.059 -0.059 0.000 1.033 550 L HN 0.220 nan 8.230 nan 0.000 0.450 551 D N 1.191 121.539 120.400 -0.087 0.000 2.117 551 D HA -0.048 4.598 4.640 0.009 0.000 0.197 551 D C 1.108 177.371 176.300 -0.062 0.000 0.987 551 D CA 0.916 54.877 54.000 -0.065 0.000 0.829 551 D CB 0.095 40.868 40.800 -0.046 0.000 0.961 551 D HN 0.263 nan 8.370 nan 0.000 0.460 552 I N 2.272 122.791 120.570 -0.085 0.000 2.671 552 I HA -0.099 4.076 4.170 0.009 0.000 0.285 552 I C 0.789 176.923 176.117 0.029 0.000 1.148 552 I CA -0.180 61.090 61.300 -0.050 0.000 1.386 552 I CB 0.055 37.980 38.000 -0.125 0.000 1.406 552 I HN -0.130 nan 8.210 nan 0.000 0.540 553 Q N 5.652 125.476 119.800 0.039 0.000 2.330 553 Q HA 0.215 4.561 4.340 0.009 0.000 0.279 553 Q C 0.947 177.034 176.000 0.146 0.000 1.024 553 Q CA 1.038 56.884 55.803 0.072 0.000 0.900 553 Q CB 0.733 29.510 28.738 0.064 0.000 1.221 553 Q HN 0.850 nan 8.270 nan 0.000 0.396 554 G N 3.566 112.471 108.800 0.174 0.000 2.176 554 G HA2 -0.320 3.645 3.960 0.009 0.000 0.252 554 G HA3 -0.320 3.645 3.960 0.009 0.000 0.252 554 G C 0.075 175.182 174.900 0.344 0.000 1.024 554 G CA 0.408 45.641 45.100 0.221 0.000 0.755 554 G HN 0.680 nan 8.290 nan 0.000 0.507 555 F N -0.399 119.628 119.950 0.130 0.000 2.274 555 F HA 0.558 5.091 4.527 0.009 0.000 0.288 555 F C 1.274 177.147 175.800 0.121 0.000 1.069 555 F CA 0.328 58.381 58.000 0.088 0.000 1.343 555 F CB 0.050 39.019 39.000 -0.052 0.000 1.089 555 F HN 0.163 nan 8.300 nan 0.000 0.517 556 L N 2.279 123.577 121.223 0.126 0.000 2.290 556 L HA 0.432 4.777 4.340 0.009 0.000 0.284 556 L C -1.015 175.979 176.870 0.206 0.000 1.078 556 L CA -0.123 54.742 54.840 0.043 0.000 0.815 556 L CB 0.689 42.774 42.059 0.042 0.000 1.162 556 L HN 0.082 nan 8.230 nan 0.000 0.435 557 L N 4.249 125.560 121.223 0.146 0.000 2.333 557 L HA 0.640 4.985 4.340 0.009 0.000 0.263 557 L C -0.623 176.384 176.870 0.227 0.000 1.014 557 L CA -0.664 54.272 54.840 0.160 0.000 0.820 557 L CB 2.099 44.199 42.059 0.068 0.000 1.352 557 L HN 0.578 nan 8.230 nan 0.000 0.421 558 E N 1.439 121.712 120.200 0.121 0.000 2.260 558 E HA 0.292 4.648 4.350 0.009 0.000 0.266 558 E C -1.944 174.708 176.600 0.086 0.000 0.887 558 E CA -0.596 55.887 56.400 0.138 0.000 0.777 558 E CB 1.873 31.590 29.700 0.027 0.000 1.205 558 E HN 0.397 nan 8.360 nan 0.000 0.414 559 F N 6.551 126.516 119.950 0.025 0.000 2.411 559 F HA 0.435 4.970 4.527 0.014 0.000 0.350 559 F C -0.355 175.465 175.800 0.033 0.000 1.114 559 F CA -0.610 57.395 58.000 0.007 0.000 1.135 559 F CB 0.550 39.558 39.000 0.014 0.000 1.120 559 F HN 0.417 nan 8.300 nan 0.000 0.495 560 I N 3.311 123.679 120.570 -0.337 0.000 2.603 560 I HA 0.767 4.943 4.170 0.009 0.000 0.300 560 I C -0.816 175.297 176.117 -0.007 0.000 1.017 560 I CA -0.525 60.743 61.300 -0.054 0.000 1.098 560 I CB 2.165 40.149 38.000 -0.026 0.000 1.279 560 I HN 0.594 nan 8.210 nan 0.000 0.437 561 T N 1.395 116.035 114.554 0.144 0.000 2.916 561 T HA 0.657 5.012 4.350 0.009 0.000 0.292 561 T C -2.904 171.515 174.700 -0.468 0.000 1.064 561 T CA -2.063 60.038 62.100 0.001 0.000 1.011 561 T CB 1.708 70.668 68.868 0.154 0.000 1.152 561 T HN 0.557 nan 8.240 nan 0.000 0.510 562 P HA 0.319 nan 4.420 nan 0.000 0.271 562 P C 0.480 177.408 177.300 -0.621 0.000 1.218 562 P CA -0.452 61.966 63.100 -1.137 0.000 0.780 562 P CB 1.055 32.224 31.700 -0.886 0.000 0.901 563 I N 1.509 121.780 120.570 -0.498 0.000 2.429 563 I HA 0.075 4.250 4.170 0.009 0.000 0.247 563 I C 1.070 177.017 176.117 -0.283 0.000 1.099 563 I CA 0.977 62.077 61.300 -0.333 0.000 1.422 563 I CB 0.141 38.014 38.000 -0.211 0.000 1.112 563 I HN 0.205 nan 8.210 nan 0.000 0.430 564 I N 1.334 121.769 120.570 -0.224 0.000 2.447 564 I HA 0.187 4.362 4.170 0.009 0.000 0.287 564 I C -0.219 175.821 176.117 -0.129 0.000 1.023 564 I CA -0.568 60.645 61.300 -0.146 0.000 1.083 564 I CB 1.965 39.793 38.000 -0.286 0.000 1.245 564 I HN -0.023 nan 8.210 nan 0.000 0.434 565 K N 6.862 127.242 120.400 -0.033 0.000 2.257 565 K HA 0.448 4.774 4.320 0.009 0.000 0.270 565 K C -1.060 175.539 176.600 -0.002 0.000 1.098 565 K CA -0.388 55.853 56.287 -0.076 0.000 0.943 565 K CB 0.886 33.394 32.500 0.014 0.000 1.316 565 K HN 0.389 nan 8.250 nan 0.000 0.447 566 V N 3.455 123.308 119.914 -0.101 0.000 2.583 566 V HA 0.143 4.268 4.120 0.009 0.000 0.287 566 V C -0.023 176.066 176.094 -0.009 0.000 1.051 566 V CA -0.409 61.869 62.300 -0.037 0.000 1.010 566 V CB 1.379 33.021 31.823 -0.301 0.000 0.988 566 V HN 0.880 nan 8.190 nan 0.000 0.478 567 S N 5.363 121.140 115.700 0.129 0.000 2.640 567 S HA 0.618 5.093 4.470 0.009 0.000 0.320 567 S C -0.717 173.994 174.600 0.186 0.000 1.097 567 S CA -0.681 57.584 58.200 0.109 0.000 1.092 567 S CB 0.670 63.933 63.200 0.105 0.000 0.988 567 S HN 0.482 nan 8.310 nan 0.000 0.470 568 I N 4.147 124.788 120.570 0.118 0.000 2.436 568 I HA 0.136 4.311 4.170 0.009 0.000 0.289 568 I C 1.748 177.956 176.117 0.152 0.000 1.083 568 I CA -0.404 60.999 61.300 0.172 0.000 1.372 568 I CB 0.888 38.913 38.000 0.041 0.000 1.408 568 I HN 0.924 nan 8.210 nan 0.000 0.516 569 T N 2.486 117.150 114.554 0.184 0.000 2.904 569 T HA 0.078 4.434 4.350 0.009 0.000 0.243 569 T C 1.527 176.294 174.700 0.112 0.000 1.024 569 T CA 0.322 62.497 62.100 0.126 0.000 1.158 569 T CB 0.108 69.041 68.868 0.109 0.000 0.867 569 T HN 0.474 nan 8.240 nan 0.000 0.429 570 K N 1.316 121.795 120.400 0.132 0.000 2.108 570 K HA 0.192 4.518 4.320 0.009 0.000 0.204 570 K C -0.175 176.497 176.600 0.121 0.000 1.036 570 K CA 0.585 56.937 56.287 0.108 0.000 0.965 570 K CB -0.925 31.630 32.500 0.091 0.000 0.804 570 K HN 0.270 nan 8.250 nan 0.000 0.454 571 P HA -0.082 nan 4.420 nan 0.000 0.214 571 P C -0.194 177.206 177.300 0.166 0.000 1.162 571 P CA 1.311 64.517 63.100 0.177 0.000 0.879 571 P CB 0.121 31.980 31.700 0.265 0.000 0.786 572 T N -3.624 111.040 114.554 0.184 0.000 3.705 572 T HA 0.288 4.643 4.350 0.009 0.000 0.342 572 T C -1.002 173.750 174.700 0.087 0.000 1.043 572 T CA -1.010 61.166 62.100 0.127 0.000 1.071 572 T CB 1.056 70.003 68.868 0.131 0.000 1.124 572 T HN -0.117 nan 8.240 nan 0.000 0.467 573 K N 3.333 123.767 120.400 0.056 0.000 2.316 573 K HA 0.445 4.771 4.320 0.009 0.000 0.289 573 K C -0.795 175.802 176.600 -0.004 0.000 1.070 573 K CA -0.323 55.984 56.287 0.032 0.000 0.928 573 K CB 0.188 32.709 32.500 0.035 0.000 1.039 573 K HN 0.635 nan 8.250 nan 0.000 0.480 574 N N 2.070 120.746 118.700 -0.040 0.000 2.431 574 N HA 0.113 4.859 4.740 0.009 0.000 0.275 574 N C -1.599 173.843 175.510 -0.115 0.000 1.091 574 N CA -0.580 52.424 53.050 -0.076 0.000 0.922 574 N CB 2.175 40.606 38.487 -0.092 0.000 1.666 574 N HN 0.645 nan 8.380 nan 0.000 0.484 575 T N -0.526 113.957 114.554 -0.117 0.000 2.799 575 T HA 0.712 5.068 4.350 0.009 0.000 0.286 575 T C 0.402 174.953 174.700 -0.248 0.000 0.973 575 T CA -0.544 61.466 62.100 -0.151 0.000 1.035 575 T CB 0.513 69.320 68.868 -0.101 0.000 0.932 575 T HN 0.313 nan 8.240 nan 0.000 0.469 576 I N 2.182 122.535 120.570 -0.362 0.000 2.460 576 I HA 0.617 4.792 4.170 0.009 0.000 0.298 576 I C 0.178 175.905 176.117 -0.650 0.000 0.989 576 I CA -1.339 59.615 61.300 -0.576 0.000 1.173 576 I CB 1.796 39.296 38.000 -0.833 0.000 1.338 576 I HN 0.857 nan 8.210 nan 0.000 0.456 577 A N 6.395 128.803 122.820 -0.687 0.000 2.304 577 A HA 0.770 5.096 4.320 0.009 0.000 0.314 577 A C -1.154 176.041 177.584 -0.649 0.000 1.187 577 A CA -0.291 51.393 52.037 -0.588 0.000 0.810 577 A CB 0.303 19.057 19.000 -0.409 0.000 1.183 577 A HN 0.496 nan 8.150 nan 0.000 0.487 578 F N 1.093 120.884 119.950 -0.265 0.000 2.436 578 F HA 0.440 4.963 4.527 -0.005 0.000 0.340 578 F C 0.233 175.910 175.800 -0.206 0.000 1.113 578 F CA -0.228 57.692 58.000 -0.133 0.000 1.022 578 F CB 1.550 40.511 39.000 -0.066 0.000 1.128 578 F HN 0.635 nan 8.300 nan 0.000 0.466 579 Y N 1.383 121.717 120.300 0.056 0.000 2.468 579 Y HA 0.175 4.729 4.550 0.007 0.000 0.268 579 Y C 0.098 176.007 175.900 0.016 0.000 1.177 579 Y CA -0.405 57.682 58.100 -0.022 0.000 1.265 579 Y CB -0.216 38.195 38.460 -0.081 0.000 1.103 579 Y HN 0.596 nan 8.280 nan 0.000 0.522 580 N N -3.388 115.413 118.700 0.169 0.000 3.046 580 N HA 0.117 4.863 4.740 0.009 0.000 0.243 580 N C 0.131 175.718 175.510 0.129 0.000 1.452 580 N CA -0.625 52.499 53.050 0.123 0.000 0.882 580 N CB 0.239 38.808 38.487 0.136 0.000 1.425 580 N HN -0.279 nan 8.380 nan 0.000 0.517 581 M N -0.676 119.000 119.600 0.127 0.000 2.067 581 M HA 0.030 4.515 4.480 0.009 0.000 0.260 581 M C -0.905 175.492 176.300 0.161 0.000 1.069 581 M CA 1.692 57.099 55.300 0.178 0.000 1.117 581 M CB -2.428 30.283 32.600 0.185 0.000 1.334 581 M HN 0.506 nan 8.290 nan 0.000 0.407 582 P HA -0.132 nan 4.420 nan 0.000 0.214 582 P C 0.998 178.304 177.300 0.009 0.000 1.163 582 P CA 1.342 64.481 63.100 0.065 0.000 0.883 582 P CB -0.154 31.595 31.700 0.082 0.000 0.788 583 D N -1.492 118.930 120.400 0.037 0.000 2.116 583 D HA -0.222 4.423 4.640 0.009 0.000 0.193 583 D C 1.917 178.005 176.300 -0.352 0.000 0.998 583 D CA 1.347 55.353 54.000 0.009 0.000 0.836 583 D CB -1.194 39.736 40.800 0.216 0.000 0.951 583 D HN 0.266 nan 8.370 nan 0.000 0.449 584 Y N 1.247 121.141 120.300 -0.677 0.000 2.352 584 Y HA -0.138 4.417 4.550 0.008 0.000 0.292 584 Y C 2.044 177.697 175.900 -0.412 0.000 1.136 584 Y CA 1.339 58.747 58.100 -1.154 0.000 1.227 584 Y CB 0.033 38.111 38.460 -0.637 0.000 0.991 584 Y HN -0.168 nan 8.280 nan 0.000 0.545 585 E N 0.776 120.727 120.200 -0.415 0.000 2.170 585 E HA -0.095 4.260 4.350 0.009 0.000 0.191 585 E C 2.142 178.598 176.600 -0.240 0.000 0.981 585 E CA 1.079 57.265 56.400 -0.356 0.000 0.830 585 E CB -0.199 29.439 29.700 -0.103 0.000 0.775 585 E HN 0.521 nan 8.360 nan 0.000 0.470 586 K N -0.935 119.370 120.400 -0.160 0.000 2.097 586 K HA -0.161 4.165 4.320 0.009 0.000 0.205 586 K C 2.001 178.554 176.600 -0.078 0.000 1.050 586 K CA 1.241 57.476 56.287 -0.086 0.000 0.938 586 K CB -0.379 32.105 32.500 -0.026 0.000 0.718 586 K HN 0.240 nan 8.250 nan 0.000 0.442 587 W N 1.841 122.950 121.300 -0.320 0.000 2.381 587 W HA -0.103 4.552 4.660 -0.009 0.000 0.301 587 W C 2.153 178.487 176.519 -0.308 0.000 1.205 587 W CA 1.498 58.678 57.345 -0.274 0.000 1.285 587 W CB -0.044 29.210 29.460 -0.344 0.000 1.133 587 W HN -0.030 nan 8.180 nan 0.000 0.521 588 R N 0.458 120.795 120.500 -0.272 0.000 2.193 588 R HA -0.152 4.193 4.340 0.009 0.000 0.229 588 R C 1.655 177.759 176.300 -0.327 0.000 1.110 588 R CA 1.917 57.768 56.100 -0.416 0.000 0.988 588 R CB -0.203 29.827 30.300 -0.450 0.000 0.871 588 R HN 0.334 nan 8.270 nan 0.000 0.458 589 E N -1.021 119.029 120.200 -0.250 0.000 2.364 589 E HA -0.032 4.323 4.350 0.009 0.000 0.196 589 E C 0.833 177.360 176.600 -0.121 0.000 0.990 589 E CA 0.506 56.818 56.400 -0.147 0.000 0.886 589 E CB 0.583 30.217 29.700 -0.110 0.000 0.866 589 E HN 0.412 nan 8.360 nan 0.000 0.493 590 E N -0.235 119.867 120.200 -0.163 0.000 2.539 590 E HA 0.059 4.414 4.350 0.009 0.000 0.215 590 E C 0.905 177.435 176.600 -0.118 0.000 0.965 590 E CA 0.132 56.484 56.400 -0.079 0.000 1.019 590 E CB 0.779 30.445 29.700 -0.058 0.000 1.059 590 E HN 0.004 nan 8.360 nan 0.000 0.496 591 E N -0.213 119.742 120.200 -0.408 0.000 2.489 591 E HA 0.001 4.356 4.350 0.009 0.000 0.208 591 E C 1.945 178.093 176.600 -0.754 0.000 0.814 591 E CA 0.747 56.811 56.400 -0.559 0.000 1.348 591 E CB 0.261 29.639 29.700 -0.536 0.000 1.334 591 E HN 0.110 nan 8.360 nan 0.000 0.672 592 S N 2.238 117.268 115.700 -1.117 0.000 2.370 592 S HA -0.221 4.255 4.470 0.009 0.000 0.226 592 S C 2.007 176.604 174.600 -0.005 0.000 1.033 592 S CA 1.611 59.233 58.200 -0.962 0.000 1.011 592 S CB -1.018 61.654 63.200 -0.881 0.000 0.852 592 S HN 0.452 nan 8.310 nan 0.000 0.457 593 H N 1.646 120.677 119.070 -0.065 0.000 2.518 593 H HA 0.110 4.671 4.556 0.008 0.000 0.289 593 H C 1.318 176.603 175.328 -0.073 0.000 1.051 593 H CA 1.310 57.363 56.048 0.008 0.000 1.280 593 H CB -0.469 29.257 29.762 -0.060 0.000 1.380 593 H HN 0.513 nan 8.280 nan 0.000 0.566 594 K N 0.025 119.946 120.400 -0.798 0.000 2.459 594 K HA 0.142 4.468 4.320 0.009 0.000 0.193 594 K C -0.434 175.659 176.600 -0.846 0.000 1.030 594 K CA 0.263 55.994 56.287 -0.926 0.000 1.026 594 K CB 0.324 32.040 32.500 -1.307 0.000 0.809 594 K HN 0.139 nan 8.250 nan 0.000 0.504 595 F N -0.145 119.860 119.950 0.091 0.000 2.620 595 F HA 0.213 4.741 4.527 0.001 0.000 0.320 595 F C 0.311 176.347 175.800 0.392 0.000 1.069 595 F CA -1.487 56.662 58.000 0.248 0.000 0.953 595 F CB 1.211 40.396 39.000 0.308 0.000 1.322 595 F HN -0.286 nan 8.300 nan 0.000 0.479 596 T N 0.063 114.908 114.554 0.485 0.000 2.743 596 T HA 0.546 4.901 4.350 0.009 0.000 0.292 596 T C -1.058 173.867 174.700 0.375 0.000 0.972 596 T CA -0.471 61.798 62.100 0.283 0.000 0.967 596 T CB 0.289 69.244 68.868 0.144 0.000 0.926 596 T HN 0.702 nan 8.240 nan 0.000 0.459 597 W N 1.275 122.706 121.300 0.218 0.000 3.047 597 W HA 0.777 5.451 4.660 0.022 0.000 0.341 597 W C -1.566 175.066 176.519 0.187 0.000 1.225 597 W CA -1.255 56.221 57.345 0.218 0.000 1.150 597 W CB 1.397 31.059 29.460 0.337 0.000 1.470 597 W HN 0.535 nan 8.180 nan 0.000 0.578 598 K N 1.864 122.531 120.400 0.445 0.000 2.468 598 K HA 0.227 4.553 4.320 0.009 0.000 0.252 598 K C -1.026 175.828 176.600 0.423 0.000 0.932 598 K CA -0.384 56.071 56.287 0.279 0.000 0.794 598 K CB 2.620 35.202 32.500 0.137 0.000 1.241 598 K HN 0.671 nan 8.250 nan 0.000 0.428 599 Q N 3.072 123.118 119.800 0.410 0.000 2.322 599 Q HA 0.459 4.805 4.340 0.009 0.000 0.265 599 Q C -0.971 175.151 176.000 0.204 0.000 0.985 599 Q CA -0.819 55.195 55.803 0.351 0.000 0.849 599 Q CB 1.992 31.017 28.738 0.479 0.000 1.274 599 Q HN 0.233 nan 8.270 nan 0.000 0.449 600 K N 2.662 123.157 120.400 0.159 0.000 2.185 600 K HA 0.219 4.544 4.320 0.009 0.000 0.269 600 K C -1.475 175.195 176.600 0.116 0.000 0.987 600 K CA -0.791 55.561 56.287 0.108 0.000 0.865 600 K CB 1.335 33.870 32.500 0.058 0.000 1.090 600 K HN 0.578 nan 8.250 nan 0.000 0.450 601 Y N 2.613 122.886 120.300 -0.046 0.000 2.383 601 Y HA 0.132 4.687 4.550 0.008 0.000 0.344 601 Y C -1.008 174.823 175.900 -0.115 0.000 0.986 601 Y CA -0.510 57.539 58.100 -0.085 0.000 1.175 601 Y CB 0.357 38.739 38.460 -0.131 0.000 1.152 601 Y HN 0.481 nan 8.280 nan 0.000 0.511 602 Y N 7.082 127.001 120.300 -0.634 0.000 2.691 602 Y HA 0.238 4.795 4.550 0.012 0.000 0.338 602 Y C 0.270 175.770 175.900 -0.666 0.000 1.148 602 Y CA -0.064 57.758 58.100 -0.463 0.000 1.430 602 Y CB 0.076 38.339 38.460 -0.328 0.000 1.303 602 Y HN 0.515 nan 8.280 nan 0.000 0.499 603 K N 0.970 121.118 120.400 -0.421 0.000 2.238 603 K HA 0.733 5.059 4.320 0.009 0.000 0.239 603 K C 0.663 177.223 176.600 -0.067 0.000 0.987 603 K CA 0.204 56.359 56.287 -0.219 0.000 0.857 603 K CB 1.552 34.094 32.500 0.071 0.000 1.154 603 K HN 0.637 nan 8.250 nan 0.000 0.439 604 G N 0.987 109.783 108.800 -0.006 0.000 3.178 604 G HA2 -0.231 3.734 3.960 0.009 0.000 0.200 604 G HA3 -0.231 3.734 3.960 0.009 0.000 0.200 604 G C 0.260 175.177 174.900 0.028 0.000 1.831 604 G CA 0.044 45.154 45.100 0.016 0.000 1.470 604 G HN 1.103 nan 8.290 nan 0.000 0.591 605 L N -0.656 120.589 121.223 0.036 0.000 4.383 605 L HA -0.094 4.252 4.340 0.009 0.000 0.402 605 L C 1.539 178.421 176.870 0.021 0.000 0.803 605 L CA 2.625 57.494 54.840 0.049 0.000 2.175 605 L CB -1.472 40.616 42.059 0.048 0.000 1.434 605 L HN 1.847 nan 8.230 nan 0.000 0.591 606 G N -2.372 106.433 108.800 0.007 0.000 3.192 606 G HA2 0.283 4.249 3.960 0.009 0.000 0.239 606 G HA3 0.283 4.249 3.960 0.009 0.000 0.239 606 G C 0.977 175.864 174.900 -0.021 0.000 1.084 606 G CA 0.875 45.970 45.100 -0.008 0.000 0.784 606 G HN 0.395 nan 8.290 nan 0.000 0.540 607 T N 0.489 115.026 114.554 -0.029 0.000 3.056 607 T HA 0.114 4.469 4.350 0.009 0.000 0.243 607 T C 1.579 176.246 174.700 -0.055 0.000 0.995 607 T CA 0.981 63.045 62.100 -0.059 0.000 1.091 607 T CB -0.446 68.357 68.868 -0.109 0.000 0.990 607 T HN 0.352 nan 8.240 nan 0.000 0.464 608 S N 3.258 118.953 115.700 -0.008 0.000 2.810 608 S HA 0.099 4.574 4.470 0.009 0.000 0.329 608 S C 0.318 174.901 174.600 -0.027 0.000 1.231 608 S CA -0.164 58.071 58.200 0.058 0.000 1.042 608 S CB -0.717 62.529 63.200 0.078 0.000 0.756 608 S HN 0.472 nan 8.310 nan 0.000 0.504 609 L N 2.761 123.972 121.223 -0.021 0.000 2.476 609 L HA 0.410 4.756 4.340 0.009 0.000 0.255 609 L C 1.613 178.435 176.870 -0.080 0.000 1.218 609 L CA -0.197 54.618 54.840 -0.041 0.000 0.819 609 L CB 0.113 42.160 42.059 -0.020 0.000 1.119 609 L HN 0.868 nan 8.230 nan 0.000 0.485 610 A N -0.079 122.701 122.820 -0.066 0.000 2.095 610 A HA -0.029 4.296 4.320 0.009 0.000 0.212 610 A C 1.909 179.458 177.584 -0.057 0.000 1.162 610 A CA 0.247 52.241 52.037 -0.072 0.000 0.753 610 A CB -0.137 18.831 19.000 -0.053 0.000 0.840 610 A HN 0.830 nan 8.150 nan 0.000 0.468 611 Q N 0.836 120.613 119.800 -0.039 0.000 2.135 611 Q HA -0.182 4.163 4.340 0.009 0.000 0.204 611 Q C 1.717 177.707 176.000 -0.017 0.000 0.981 611 Q CA 1.854 57.646 55.803 -0.019 0.000 0.856 611 Q CB -0.294 28.439 28.738 -0.008 0.000 0.902 611 Q HN 0.932 nan 8.270 nan 0.000 0.425 612 E N -0.446 119.729 120.200 -0.042 0.000 2.474 612 E HA 0.047 4.403 4.350 0.009 0.000 0.195 612 E C 1.078 177.569 176.600 -0.183 0.000 1.039 612 E CA 0.233 56.615 56.400 -0.031 0.000 0.881 612 E CB 0.308 30.005 29.700 -0.005 0.000 0.970 612 E HN 0.141 nan 8.360 nan 0.000 0.486 613 V N 1.385 121.135 119.914 -0.274 0.000 2.426 613 V HA -0.055 4.070 4.120 0.009 0.000 0.242 613 V C 2.333 178.454 176.094 0.044 0.000 1.036 613 V CA 1.084 63.150 62.300 -0.390 0.000 1.044 613 V CB -0.390 31.284 31.823 -0.247 0.000 0.688 613 V HN 0.202 nan 8.190 nan 0.000 0.462 614 R N 0.826 121.363 120.500 0.062 0.000 2.211 614 R HA -0.255 4.090 4.340 0.009 0.000 0.240 614 R C 2.146 178.541 176.300 0.159 0.000 1.144 614 R CA 1.852 58.026 56.100 0.123 0.000 0.992 614 R CB -0.203 30.124 30.300 0.046 0.000 0.869 614 R HN 0.832 nan 8.270 nan 0.000 0.462 615 E N -0.856 119.427 120.200 0.138 0.000 2.230 615 E HA -0.142 4.214 4.350 0.009 0.000 0.192 615 E C 1.202 177.896 176.600 0.156 0.000 0.987 615 E CA 0.790 57.274 56.400 0.140 0.000 0.841 615 E CB -0.385 29.390 29.700 0.125 0.000 0.783 615 E HN 0.225 nan 8.360 nan 0.000 0.481 616 Y N 0.015 120.219 120.300 -0.159 0.000 2.224 616 Y HA -0.082 4.476 4.550 0.013 0.000 0.289 616 Y C 1.585 177.222 175.900 -0.438 0.000 1.146 616 Y CA 0.917 58.697 58.100 -0.534 0.000 1.182 616 Y CB -0.387 37.692 38.460 -0.635 0.000 0.983 616 Y HN 0.104 nan 8.280 nan 0.000 0.524 617 F N -1.134 118.891 119.950 0.124 0.000 2.446 617 F HA -0.050 4.484 4.527 0.012 0.000 0.292 617 F C 2.565 178.393 175.800 0.046 0.000 1.096 617 F CA 0.753 58.801 58.000 0.080 0.000 1.438 617 F CB -0.776 38.239 39.000 0.026 0.000 1.107 617 F HN -0.061 nan 8.300 nan 0.000 0.546 618 S N 1.115 116.938 115.700 0.206 0.000 2.383 618 S HA -0.222 4.253 4.470 0.009 0.000 0.229 618 S C 0.740 175.392 174.600 0.086 0.000 1.030 618 S CA 1.497 59.770 58.200 0.121 0.000 1.002 618 S CB -1.089 62.166 63.200 0.091 0.000 0.829 618 S HN 0.524 nan 8.310 nan 0.000 0.467 619 N N 1.387 120.133 118.700 0.077 0.000 2.813 619 N HA 0.358 5.103 4.740 0.009 0.000 0.282 619 N C 0.458 176.002 175.510 0.057 0.000 1.748 619 N CA -0.471 52.608 53.050 0.050 0.000 0.860 619 N CB 0.529 39.035 38.487 0.032 0.000 1.204 619 N HN 0.525 nan 8.380 nan 0.000 0.490 620 L N -3.430 117.819 121.223 0.044 0.000 2.341 620 L HA 0.343 4.689 4.340 0.009 0.000 0.214 620 L C 0.562 177.409 176.870 -0.039 0.000 1.115 620 L CA 0.782 55.626 54.840 0.007 0.000 0.820 620 L CB -0.085 42.014 42.059 0.067 0.000 0.944 620 L HN -0.026 nan 8.230 nan 0.000 0.452 621 D N 1.634 122.014 120.400 -0.033 0.000 2.311 621 D HA -0.140 4.505 4.640 0.009 0.000 0.212 621 D C 2.076 178.292 176.300 -0.139 0.000 0.972 621 D CA 1.071 55.029 54.000 -0.069 0.000 0.887 621 D CB 0.063 40.833 40.800 -0.050 0.000 0.915 621 D HN 0.576 nan 8.370 nan 0.000 0.497 622 R N -1.105 119.287 120.500 -0.179 0.000 2.237 622 R HA 0.108 4.453 4.340 0.009 0.000 0.195 622 R C 1.119 177.122 176.300 -0.495 0.000 0.956 622 R CA 0.207 56.121 56.100 -0.311 0.000 1.029 622 R CB -0.023 30.086 30.300 -0.317 0.000 0.972 622 R HN 0.264 nan 8.270 nan 0.000 0.493 623 H N -0.039 118.777 119.070 -0.423 0.000 2.526 623 H HA 0.262 4.827 4.556 0.014 0.000 0.274 623 H C -0.274 174.680 175.328 -0.623 0.000 0.999 623 H CA 0.196 55.871 56.048 -0.621 0.000 1.157 623 H CB 0.355 29.638 29.762 -0.799 0.000 1.407 623 H HN -0.110 nan 8.280 nan 0.000 0.568 624 L N 1.189 122.225 121.223 -0.312 0.000 2.333 624 L HA 0.398 4.744 4.340 0.009 0.000 0.280 624 L C -0.421 176.315 176.870 -0.224 0.000 1.004 624 L CA -0.521 54.185 54.840 -0.223 0.000 0.820 624 L CB 1.704 43.700 42.059 -0.106 0.000 1.247 624 L HN 0.013 nan 8.230 nan 0.000 0.416 625 K N 4.122 124.382 120.400 -0.232 0.000 2.385 625 K HA 0.701 5.027 4.320 0.009 0.000 0.248 625 K C -1.283 175.160 176.600 -0.262 0.000 0.955 625 K CA -0.798 55.333 56.287 -0.260 0.000 0.816 625 K CB 2.947 35.251 32.500 -0.327 0.000 1.250 625 K HN 0.411 nan 8.250 nan 0.000 0.434 626 I N 1.944 122.374 120.570 -0.234 0.000 2.436 626 I HA 0.308 4.483 4.170 0.009 0.000 0.289 626 I C -0.616 175.402 176.117 -0.166 0.000 1.010 626 I CA -0.876 60.334 61.300 -0.151 0.000 1.098 626 I CB 1.091 39.074 38.000 -0.028 0.000 1.266 626 I HN 0.374 nan 8.210 nan 0.000 0.434 627 F N 4.508 124.452 119.950 -0.009 0.000 2.506 627 F HA 0.094 4.628 4.527 0.013 0.000 0.371 627 F C 1.259 177.099 175.800 0.067 0.000 1.078 627 F CA 0.103 58.103 58.000 0.001 0.000 1.195 627 F CB 0.001 38.966 39.000 -0.059 0.000 1.099 627 F HN 0.491 nan 8.300 nan 0.000 0.548 628 H N 3.575 122.740 119.070 0.158 0.000 2.964 628 H HA 0.050 4.612 4.556 0.011 0.000 0.328 628 H C 0.305 175.712 175.328 0.132 0.000 1.030 628 H CA -0.257 55.861 56.048 0.117 0.000 1.445 628 H CB 0.879 30.692 29.762 0.085 0.000 1.449 628 H HN 0.770 nan 8.280 nan 0.000 0.581 629 S N 4.646 120.104 115.700 -0.402 0.000 2.560 629 S HA -0.027 4.448 4.470 0.009 0.000 0.276 629 S C 0.641 175.028 174.600 -0.354 0.000 1.350 629 S CA -0.764 57.252 58.200 -0.306 0.000 1.024 629 S CB 0.392 63.450 63.200 -0.236 0.000 0.864 629 S HN 0.587 nan 8.310 nan 0.000 0.536 630 L N 2.001 123.141 121.223 -0.138 0.000 2.601 630 L HA 0.029 4.374 4.340 0.009 0.000 0.277 630 L C 1.003 177.851 176.870 -0.037 0.000 1.219 630 L CA 0.549 55.360 54.840 -0.049 0.000 0.915 630 L CB -0.400 41.650 42.059 -0.014 0.000 1.160 630 L HN 0.748 nan 8.230 nan 0.000 0.494 631 Q N 1.359 121.193 119.800 0.056 0.000 2.873 631 Q HA 0.441 4.787 4.340 0.009 0.000 0.297 631 Q C 0.064 176.135 176.000 0.118 0.000 1.064 631 Q CA -0.880 54.992 55.803 0.115 0.000 0.816 631 Q CB 1.755 30.636 28.738 0.238 0.000 1.481 631 Q HN 0.718 nan 8.270 nan 0.000 0.488 632 G N 1.219 110.090 108.800 0.118 0.000 2.265 632 G HA2 -0.012 3.953 3.960 0.009 0.000 0.240 632 G HA3 -0.012 3.953 3.960 0.009 0.000 0.240 632 G C 0.038 175.026 174.900 0.146 0.000 1.270 632 G CA 0.189 45.355 45.100 0.109 0.000 0.901 632 G HN 0.796 nan 8.290 nan 0.000 0.507 633 N N 1.013 119.795 118.700 0.137 0.000 2.909 633 N HA -0.146 4.600 4.740 0.009 0.000 0.242 633 N C 0.758 176.450 175.510 0.303 0.000 0.975 633 N CA 1.440 54.606 53.050 0.193 0.000 0.921 633 N CB -0.824 37.827 38.487 0.273 0.000 1.112 633 N HN 0.617 nan 8.380 nan 0.000 0.581 634 D N 0.249 120.779 120.400 0.217 0.000 2.120 634 D HA 0.037 4.683 4.640 0.009 0.000 0.202 634 D C 1.713 178.126 176.300 0.188 0.000 0.972 634 D CA 0.944 55.076 54.000 0.220 0.000 0.837 634 D CB 0.019 40.914 40.800 0.159 0.000 0.989 634 D HN 0.410 nan 8.370 nan 0.000 0.469 635 K N 0.487 120.959 120.400 0.121 0.000 2.148 635 K HA -0.097 4.229 4.320 0.009 0.000 0.204 635 K C 1.441 178.083 176.600 0.070 0.000 1.050 635 K CA 0.911 57.251 56.287 0.087 0.000 0.942 635 K CB 0.116 32.648 32.500 0.053 0.000 0.724 635 K HN 0.106 nan 8.250 nan 0.000 0.446 636 D N 0.034 120.457 120.400 0.040 0.000 2.117 636 D HA -0.148 4.498 4.640 0.009 0.000 0.198 636 D C 1.777 178.003 176.300 -0.123 0.000 0.982 636 D CA 1.309 55.270 54.000 -0.066 0.000 0.828 636 D CB -0.228 40.488 40.800 -0.139 0.000 0.967 636 D HN 0.251 nan 8.370 nan 0.000 0.464 637 Y N 0.899 121.189 120.300 -0.018 0.000 2.314 637 Y HA -0.018 4.539 4.550 0.011 0.000 0.293 637 Y C 2.443 178.305 175.900 -0.064 0.000 1.129 637 Y CA 0.387 58.439 58.100 -0.080 0.000 1.201 637 Y CB -0.084 38.364 38.460 -0.019 0.000 0.999 637 Y HN -0.068 nan 8.280 nan 0.000 0.541 638 I N -0.330 120.360 120.570 0.199 0.000 2.226 638 I HA -0.298 3.878 4.170 0.009 0.000 0.245 638 I C 2.031 178.280 176.117 0.219 0.000 1.100 638 I CA 1.759 63.216 61.300 0.262 0.000 1.374 638 I CB -0.329 37.812 38.000 0.235 0.000 1.057 638 I HN 0.165 nan 8.210 nan 0.000 0.413 639 D N 0.994 121.454 120.400 0.099 0.000 2.144 639 D HA -0.193 4.453 4.640 0.009 0.000 0.200 639 D C 2.021 178.303 176.300 -0.030 0.000 0.978 639 D CA 0.847 54.881 54.000 0.057 0.000 0.833 639 D CB -0.003 40.805 40.800 0.014 0.000 0.961 639 D HN 0.150 nan 8.370 nan 0.000 0.470 640 L N 0.063 121.206 121.223 -0.134 0.000 2.127 640 L HA -0.021 4.325 4.340 0.009 0.000 0.211 640 L C 1.906 178.579 176.870 -0.329 0.000 1.089 640 L CA 2.090 56.775 54.840 -0.259 0.000 0.757 640 L CB -0.640 41.168 42.059 -0.418 0.000 0.899 640 L HN 0.064 nan 8.230 nan 0.000 0.434 641 A N -2.069 120.537 122.820 -0.357 0.000 1.984 641 A HA 0.118 4.443 4.320 0.009 0.000 0.214 641 A C 1.490 178.684 177.584 -0.650 0.000 1.173 641 A CA 1.014 52.690 52.037 -0.601 0.000 0.673 641 A CB -0.393 18.152 19.000 -0.759 0.000 0.830 641 A HN 0.469 nan 8.150 nan 0.000 0.453 642 F N -0.867 119.106 119.950 0.038 0.000 2.781 642 F HA 0.301 4.833 4.527 0.008 0.000 0.322 642 F C 0.949 176.781 175.800 0.053 0.000 1.108 642 F CA -0.112 57.935 58.000 0.078 0.000 1.179 642 F CB 0.609 39.663 39.000 0.091 0.000 1.072 642 F HN 0.043 nan 8.300 nan 0.000 0.545 643 S N 1.441 117.220 115.700 0.132 0.000 2.422 643 S HA 0.130 4.606 4.470 0.009 0.000 0.283 643 S C 1.097 175.734 174.600 0.062 0.000 1.163 643 S CA -0.475 57.776 58.200 0.085 0.000 1.054 643 S CB 0.397 63.619 63.200 0.036 0.000 0.967 643 S HN 0.312 nan 8.310 nan 0.000 0.499 644 K N 3.523 123.968 120.400 0.074 0.000 2.585 644 K HA -0.023 4.303 4.320 0.009 0.000 0.194 644 K C 0.957 177.577 176.600 0.032 0.000 1.037 644 K CA 0.805 57.128 56.287 0.060 0.000 0.964 644 K CB 0.033 32.572 32.500 0.066 0.000 0.787 644 K HN 0.560 nan 8.250 nan 0.000 0.488 645 K N 0.221 120.633 120.400 0.020 0.000 2.374 645 K HA 0.099 4.425 4.320 0.009 0.000 0.202 645 K C 0.285 176.878 176.600 -0.012 0.000 1.040 645 K CA 0.119 56.408 56.287 0.004 0.000 1.085 645 K CB 0.671 33.173 32.500 0.003 0.000 0.873 645 K HN -0.045 nan 8.250 nan 0.000 0.539 646 K N 0.535 120.925 120.400 -0.017 0.000 3.045 646 K HA 0.285 4.610 4.320 0.009 0.000 0.211 646 K C 0.714 177.288 176.600 -0.043 0.000 1.141 646 K CA -0.168 56.097 56.287 -0.037 0.000 1.036 646 K CB 1.182 33.651 32.500 -0.052 0.000 0.851 646 K HN 0.021 nan 8.250 nan 0.000 0.462 647 A N 1.346 124.140 122.820 -0.043 0.000 1.865 647 A HA -0.220 4.105 4.320 0.009 0.000 0.217 647 A C 1.657 179.169 177.584 -0.119 0.000 1.191 647 A CA 1.715 53.714 52.037 -0.064 0.000 0.623 647 A CB -0.189 18.775 19.000 -0.060 0.000 0.826 647 A HN 0.268 nan 8.150 nan 0.000 0.444 648 D N 0.047 120.374 120.400 -0.121 0.000 2.149 648 D HA -0.137 4.508 4.640 0.009 0.000 0.198 648 D C 1.390 177.621 176.300 -0.115 0.000 0.990 648 D CA 1.430 55.337 54.000 -0.155 0.000 0.839 648 D CB -0.372 40.362 40.800 -0.110 0.000 0.948 648 D HN 0.390 nan 8.370 nan 0.000 0.460 649 D N 0.345 120.707 120.400 -0.062 0.000 2.117 649 D HA -0.090 4.555 4.640 0.009 0.000 0.197 649 D C 2.196 178.531 176.300 0.057 0.000 0.987 649 D CA 0.614 54.604 54.000 -0.017 0.000 0.829 649 D CB -0.119 40.657 40.800 -0.039 0.000 0.961 649 D HN 0.221 nan 8.370 nan 0.000 0.460 650 R N 0.791 121.327 120.500 0.060 0.000 2.105 650 R HA -0.103 4.242 4.340 0.009 0.000 0.239 650 R C 2.255 178.666 176.300 0.185 0.000 1.135 650 R CA 1.006 57.250 56.100 0.239 0.000 0.967 650 R CB -0.095 30.321 30.300 0.192 0.000 0.861 650 R HN 0.229 nan 8.270 nan 0.000 0.442 651 K N 0.464 120.821 120.400 -0.073 0.000 2.034 651 K HA -0.253 4.072 4.320 0.009 0.000 0.214 651 K C 2.103 178.752 176.600 0.082 0.000 1.051 651 K CA 1.904 58.066 56.287 -0.209 0.000 0.931 651 K CB -0.146 31.966 32.500 -0.646 0.000 0.715 651 K HN 0.062 nan 8.250 nan 0.000 0.446 652 E N 0.368 120.617 120.200 0.081 0.000 2.072 652 E HA -0.199 4.157 4.350 0.009 0.000 0.191 652 E C 1.645 178.377 176.600 0.220 0.000 0.985 652 E CA 1.071 57.555 56.400 0.140 0.000 0.801 652 E CB -0.306 29.457 29.700 0.105 0.000 0.750 652 E HN 0.404 nan 8.360 nan 0.000 0.452 653 W N 0.700 122.039 121.300 0.064 0.000 2.341 653 W HA -0.141 4.524 4.660 0.008 0.000 0.283 653 W C 1.311 177.913 176.519 0.139 0.000 1.215 653 W CA 1.517 58.923 57.345 0.101 0.000 1.211 653 W CB -0.218 29.291 29.460 0.083 0.000 1.131 653 W HN 0.155 nan 8.180 nan 0.000 0.552 654 L N -0.170 121.056 121.223 0.004 0.000 2.209 654 L HA 0.008 4.353 4.340 0.009 0.000 0.207 654 L C 2.667 179.566 176.870 0.049 0.000 1.094 654 L CA 0.825 55.595 54.840 -0.117 0.000 0.790 654 L CB -0.690 41.382 42.059 0.021 0.000 0.932 654 L HN -0.178 nan 8.230 nan 0.000 0.447 655 R N -0.282 120.297 120.500 0.133 0.000 2.081 655 R HA -0.139 4.207 4.340 0.009 0.000 0.235 655 R C 2.304 178.668 176.300 0.108 0.000 1.131 655 R CA 1.007 57.188 56.100 0.137 0.000 0.960 655 R CB -0.197 30.196 30.300 0.154 0.000 0.856 655 R HN 0.340 nan 8.270 nan 0.000 0.436 656 Q N 0.101 119.967 119.800 0.110 0.000 2.170 656 Q HA -0.136 4.209 4.340 0.009 0.000 0.203 656 Q C 0.292 176.336 176.000 0.073 0.000 0.976 656 Q CA 0.710 56.574 55.803 0.102 0.000 0.858 656 Q CB -0.484 28.347 28.738 0.156 0.000 0.907 656 Q HN 0.334 nan 8.270 nan 0.000 0.433 657 Y N 2.520 122.775 120.300 -0.075 0.000 2.810 657 Y HA -0.106 4.449 4.550 0.008 0.000 0.332 657 Y C 0.226 176.098 175.900 -0.046 0.000 1.243 657 Y CA 0.331 58.368 58.100 -0.104 0.000 1.537 657 Y CB 0.324 38.660 38.460 -0.208 0.000 1.265 657 Y HN -0.044 nan 8.280 nan 0.000 0.572 658 E N 8.791 128.499 120.200 -0.820 0.000 2.129 658 E HA 0.364 4.719 4.350 0.009 0.000 0.268 658 E C -2.724 173.352 176.600 -0.873 0.000 0.900 658 E CA -2.688 53.351 56.400 -0.601 0.000 0.755 658 E CB 1.048 30.558 29.700 -0.317 0.000 1.117 658 E HN 0.412 nan 8.360 nan 0.000 0.410 659 P HA 0.024 nan 4.420 nan 0.000 0.262 659 P C 0.480 177.689 177.300 -0.152 0.000 1.182 659 P CA 1.279 64.270 63.100 -0.182 0.000 0.761 659 P CB 0.700 32.385 31.700 -0.026 0.000 0.795 660 G N 1.786 110.556 108.800 -0.050 0.000 2.258 660 G HA2 -0.218 3.747 3.960 0.009 0.000 0.233 660 G HA3 -0.218 3.747 3.960 0.009 0.000 0.233 660 G C 0.287 175.172 174.900 -0.026 0.000 1.006 660 G CA -0.045 45.041 45.100 -0.023 0.000 0.620 660 G HN 0.586 nan 8.290 nan 0.000 0.511 661 T N 1.649 116.134 114.554 -0.115 0.000 2.784 661 T HA 0.508 4.863 4.350 0.009 0.000 0.291 661 T C -0.147 174.605 174.700 0.087 0.000 0.942 661 T CA 0.729 62.791 62.100 -0.063 0.000 1.161 661 T CB 1.599 70.356 68.868 -0.186 0.000 0.885 661 T HN 0.885 nan 8.240 nan 0.000 0.534 662 V N 4.129 124.095 119.914 0.087 0.000 3.000 662 V HA 0.261 4.386 4.120 0.009 0.000 0.300 662 V C -0.391 175.756 176.094 0.089 0.000 1.251 662 V CA -1.194 61.177 62.300 0.118 0.000 0.972 662 V CB 2.265 34.163 31.823 0.124 0.000 1.065 662 V HN 0.622 nan 8.190 nan 0.000 0.431 663 L N 3.122 124.404 121.223 0.099 0.000 2.559 663 L HA 0.136 4.481 4.340 0.009 0.000 0.282 663 L C 0.189 177.089 176.870 0.050 0.000 1.232 663 L CA 0.694 55.583 54.840 0.081 0.000 0.885 663 L CB -0.067 42.054 42.059 0.104 0.000 1.131 663 L HN 0.625 nan 8.230 nan 0.000 0.498 664 D N 6.154 126.569 120.400 0.025 0.000 2.458 664 D HA 0.155 4.800 4.640 0.009 0.000 0.243 664 D C -2.199 174.084 176.300 -0.028 0.000 1.146 664 D CA -0.853 53.148 54.000 0.001 0.000 0.877 664 D CB 0.201 40.992 40.800 -0.014 0.000 1.176 664 D HN 0.340 nan 8.370 nan 0.000 0.461 665 P HA 0.108 nan 4.420 nan 0.000 0.275 665 P C 0.403 177.602 177.300 -0.169 0.000 1.227 665 P CA 0.066 63.106 63.100 -0.099 0.000 0.781 665 P CB 0.700 32.373 31.700 -0.046 0.000 0.906 666 T N -1.577 112.810 114.554 -0.279 0.000 6.386 666 T HA -0.271 4.085 4.350 0.009 0.000 0.278 666 T C 0.754 175.328 174.700 -0.210 0.000 2.163 666 T CA 0.992 62.914 62.100 -0.296 0.000 3.541 666 T CB -2.299 66.411 68.868 -0.264 0.000 1.383 666 T HN 0.309 nan 8.240 nan 0.000 1.186 667 L N 1.195 122.319 121.223 -0.166 0.000 2.046 667 L HA 0.278 4.624 4.340 0.009 0.000 0.208 667 L C 1.853 178.644 176.870 -0.132 0.000 1.077 667 L CA 2.959 57.725 54.840 -0.124 0.000 0.747 667 L CB -0.583 41.422 42.059 -0.091 0.000 0.896 667 L HN 0.813 nan 8.230 nan 0.000 0.432 668 K N -0.567 119.735 120.400 -0.164 0.000 3.493 668 K HA -0.170 4.156 4.320 0.009 0.000 0.295 668 K C -0.488 176.030 176.600 -0.136 0.000 1.356 668 K CA 1.161 57.348 56.287 -0.166 0.000 0.942 668 K CB -1.702 30.714 32.500 -0.141 0.000 1.365 668 K HN 0.512 nan 8.250 nan 0.000 0.472 669 E N 0.103 120.231 120.200 -0.121 0.000 2.304 669 E HA 0.407 4.762 4.350 0.009 0.000 0.277 669 E C -0.754 175.797 176.600 -0.082 0.000 0.898 669 E CA -0.646 55.701 56.400 -0.088 0.000 0.764 669 E CB 1.316 30.985 29.700 -0.052 0.000 1.216 669 E HN 0.255 nan 8.360 nan 0.000 0.419 670 I N 3.496 124.018 120.570 -0.079 0.000 2.436 670 I HA 0.338 4.513 4.170 0.009 0.000 0.289 670 I C -2.459 173.738 176.117 0.134 0.000 1.010 670 I CA -2.278 59.009 61.300 -0.020 0.000 1.098 670 I CB 2.086 39.982 38.000 -0.174 0.000 1.266 670 I HN 0.040 nan 8.210 nan 0.000 0.434 671 P HA 0.328 nan 4.420 nan 0.000 0.280 671 P C 0.742 178.217 177.300 0.291 0.000 1.244 671 P CA -0.280 62.958 63.100 0.229 0.000 0.784 671 P CB 1.061 32.847 31.700 0.144 0.000 0.913 672 I N 1.188 121.945 120.570 0.311 0.000 2.394 672 I HA -0.247 3.929 4.170 0.009 0.000 0.251 672 I C 2.196 178.498 176.117 0.309 0.000 1.136 672 I CA 1.674 63.182 61.300 0.348 0.000 1.425 672 I CB -0.628 37.516 38.000 0.240 0.000 1.079 672 I HN 0.391 nan 8.210 nan 0.000 0.425 673 S N 1.749 117.556 115.700 0.179 0.000 2.370 673 S HA -0.230 4.245 4.470 0.009 0.000 0.226 673 S C 1.455 175.983 174.600 -0.119 0.000 1.033 673 S CA 1.687 59.868 58.200 -0.032 0.000 1.011 673 S CB -0.577 62.595 63.200 -0.047 0.000 0.852 673 S HN 0.621 nan 8.310 nan 0.000 0.457 674 D N -0.159 120.266 120.400 0.043 0.000 2.363 674 D HA 0.113 4.758 4.640 0.009 0.000 0.214 674 D C 1.164 177.574 176.300 0.183 0.000 1.093 674 D CA -0.399 53.641 54.000 0.067 0.000 0.837 674 D CB -0.705 40.130 40.800 0.059 0.000 0.948 674 D HN 0.537 nan 8.370 nan 0.000 0.507 675 F N 1.026 121.060 119.950 0.141 0.000 2.234 675 F HA 0.162 4.693 4.527 0.007 0.000 0.296 675 F C 1.721 177.663 175.800 0.237 0.000 1.089 675 F CA 0.822 58.948 58.000 0.210 0.000 1.343 675 F CB 0.034 39.222 39.000 0.313 0.000 1.040 675 F HN -0.147 nan 8.300 nan 0.000 0.498 676 I N 0.865 121.458 120.570 0.039 0.000 2.233 676 I HA -0.260 3.915 4.170 0.009 0.000 0.243 676 I C 1.591 177.843 176.117 0.226 0.000 1.093 676 I CA 1.525 62.842 61.300 0.028 0.000 1.380 676 I CB -0.634 37.466 38.000 0.167 0.000 1.067 676 I HN 0.221 nan 8.210 nan 0.000 0.413 677 N N 0.415 119.241 118.700 0.210 0.000 2.467 677 N HA -0.042 4.703 4.740 0.009 0.000 0.184 677 N C 1.180 176.820 175.510 0.217 0.000 1.106 677 N CA 0.449 53.693 53.050 0.323 0.000 0.892 677 N CB 0.316 38.929 38.487 0.210 0.000 0.969 677 N HN 0.367 nan 8.380 nan 0.000 0.454 678 K N -0.535 119.948 120.400 0.137 0.000 2.502 678 K HA 0.108 4.434 4.320 0.009 0.000 0.211 678 K C 1.135 177.794 176.600 0.097 0.000 1.259 678 K CA 0.110 56.484 56.287 0.145 0.000 0.983 678 K CB 0.932 33.511 32.500 0.131 0.000 1.054 678 K HN 0.057 nan 8.250 nan 0.000 0.572 679 E N 0.422 120.617 120.200 -0.008 0.000 2.756 679 E HA 0.025 4.381 4.350 0.009 0.000 0.192 679 E C 1.641 178.215 176.600 -0.044 0.000 1.022 679 E CA 0.028 56.411 56.400 -0.029 0.000 1.224 679 E CB 0.167 29.836 29.700 -0.052 0.000 1.252 679 E HN 0.014 nan 8.360 nan 0.000 0.494 680 L N 2.146 123.231 121.223 -0.231 0.000 2.042 680 L HA -0.090 4.255 4.340 0.009 0.000 0.210 680 L C 2.188 179.160 176.870 0.170 0.000 1.076 680 L CA 1.626 56.467 54.840 0.001 0.000 0.749 680 L CB -0.528 41.515 42.059 -0.027 0.000 0.893 680 L HN 0.446 nan 8.230 nan 0.000 0.432 681 I N -1.263 119.360 120.570 0.088 0.000 2.423 681 I HA -0.321 3.854 4.170 0.009 0.000 0.254 681 I C 2.163 178.091 176.117 -0.315 0.000 1.151 681 I CA 1.135 62.299 61.300 -0.226 0.000 1.421 681 I CB 0.028 37.702 38.000 -0.544 0.000 1.079 681 I HN 0.346 nan 8.210 nan 0.000 0.431 682 L N -0.297 120.833 121.223 -0.154 0.000 2.083 682 L HA -0.237 4.109 4.340 0.009 0.000 0.209 682 L C 2.466 179.260 176.870 -0.126 0.000 1.083 682 L CA 1.473 56.241 54.840 -0.120 0.000 0.752 682 L CB -0.773 41.380 42.059 0.158 0.000 0.899 682 L HN 0.322 nan 8.230 nan 0.000 0.433 683 F N 0.715 120.647 119.950 -0.031 0.000 2.075 683 F HA -0.233 4.298 4.527 0.008 0.000 0.297 683 F C 2.629 178.353 175.800 -0.128 0.000 1.113 683 F CA 1.859 59.835 58.000 -0.040 0.000 1.218 683 F CB -0.226 38.852 39.000 0.130 0.000 0.984 683 F HN -0.073 nan 8.300 nan 0.000 0.472 684 S N 1.596 117.177 115.700 -0.199 0.000 2.365 684 S HA -0.239 4.236 4.470 0.009 0.000 0.225 684 S C 2.051 176.452 174.600 -0.333 0.000 1.039 684 S CA 1.888 59.914 58.200 -0.291 0.000 1.033 684 S CB -0.811 62.354 63.200 -0.058 0.000 0.887 684 S HN 0.429 nan 8.310 nan 0.000 0.447 685 L N 1.088 122.112 121.223 -0.331 0.000 2.012 685 L HA -0.158 4.188 4.340 0.009 0.000 0.210 685 L C 2.830 179.542 176.870 -0.264 0.000 1.073 685 L CA 1.340 56.018 54.840 -0.270 0.000 0.748 685 L CB -0.739 41.120 42.059 -0.334 0.000 0.891 685 L HN 0.349 nan 8.230 nan 0.000 0.431 686 A N -0.413 122.164 122.820 -0.404 0.000 1.969 686 A HA -0.255 4.070 4.320 0.009 0.000 0.218 686 A C 1.954 179.339 177.584 -0.332 0.000 1.169 686 A CA 1.872 53.679 52.037 -0.384 0.000 0.635 686 A CB -0.543 18.106 19.000 -0.585 0.000 0.810 686 A HN 0.446 nan 8.150 nan 0.000 0.445 687 D N 0.388 120.473 120.400 -0.524 0.000 2.087 687 D HA -0.178 4.467 4.640 0.009 0.000 0.192 687 D C 1.667 177.860 176.300 -0.177 0.000 0.993 687 D CA 1.722 55.435 54.000 -0.478 0.000 0.828 687 D CB -0.282 40.066 40.800 -0.753 0.000 0.968 687 D HN 0.327 nan 8.370 nan 0.000 0.448 688 N N 0.297 118.940 118.700 -0.095 0.000 2.061 688 N HA -0.151 4.594 4.740 0.009 0.000 0.193 688 N C 2.166 177.806 175.510 0.216 0.000 1.030 688 N CA 0.751 53.845 53.050 0.074 0.000 0.856 688 N CB -0.500 38.058 38.487 0.118 0.000 1.023 688 N HN 0.377 nan 8.380 nan 0.000 0.424 689 I N 1.397 122.057 120.570 0.150 0.000 2.145 689 I HA -0.332 3.843 4.170 0.009 0.000 0.244 689 I C 2.489 178.650 176.117 0.072 0.000 1.075 689 I CA 1.530 62.854 61.300 0.039 0.000 1.332 689 I CB -0.216 37.696 38.000 -0.148 0.000 1.033 689 I HN 0.312 nan 8.210 nan 0.000 0.410 690 R N -0.110 120.407 120.500 0.029 0.000 2.173 690 R HA 0.063 4.408 4.340 0.009 0.000 0.208 690 R C 1.977 178.321 176.300 0.073 0.000 1.035 690 R CA 1.149 57.272 56.100 0.037 0.000 1.004 690 R CB -0.374 29.915 30.300 -0.019 0.000 0.917 690 R HN 0.090 nan 8.270 nan 0.000 0.462 691 S N 0.785 116.529 115.700 0.074 0.000 2.458 691 S HA 0.257 4.732 4.470 0.009 0.000 0.223 691 S C 0.794 175.465 174.600 0.117 0.000 1.019 691 S CA 0.198 58.449 58.200 0.085 0.000 0.937 691 S CB 0.139 63.376 63.200 0.062 0.000 0.788 691 S HN 0.184 nan 8.310 nan 0.000 0.511 692 I N 3.406 124.068 120.570 0.154 0.000 2.378 692 I HA 0.346 4.522 4.170 0.009 0.000 0.291 692 I C -2.456 173.809 176.117 0.247 0.000 0.992 692 I CA -2.650 58.733 61.300 0.137 0.000 1.154 692 I CB 2.117 40.107 38.000 -0.017 0.000 1.315 692 I HN -0.042 nan 8.210 nan 0.000 0.448 693 P HA 0.053 nan 4.420 nan 0.000 0.275 693 P C -1.045 176.414 177.300 0.264 0.000 1.266 693 P CA -0.475 62.754 63.100 0.214 0.000 0.793 693 P CB 0.840 32.623 31.700 0.138 0.000 1.074 694 N N -0.183 118.654 118.700 0.228 0.000 2.509 694 N HA 0.031 4.777 4.740 0.009 0.000 0.287 694 N C 1.075 176.618 175.510 0.056 0.000 1.121 694 N CA -0.302 52.863 53.050 0.191 0.000 0.977 694 N CB 1.595 40.188 38.487 0.178 0.000 1.167 694 N HN 0.067 nan 8.380 nan 0.000 0.476 695 V N 4.840 124.759 119.914 0.008 0.000 2.490 695 V HA -0.156 3.970 4.120 0.009 0.000 0.250 695 V C 2.089 178.100 176.094 -0.138 0.000 1.061 695 V CA 1.545 63.782 62.300 -0.104 0.000 1.064 695 V CB -0.341 31.419 31.823 -0.105 0.000 0.670 695 V HN 0.624 nan 8.190 nan 0.000 0.461 696 L N 0.855 121.988 121.223 -0.150 0.000 2.023 696 L HA -0.044 4.302 4.340 0.009 0.000 0.205 696 L C 2.147 178.986 176.870 -0.051 0.000 1.073 696 L CA 2.051 56.819 54.840 -0.120 0.000 0.745 696 L CB -0.652 41.149 42.059 -0.430 0.000 0.900 696 L HN 0.538 nan 8.230 nan 0.000 0.435 697 D N -1.478 118.909 120.400 -0.022 0.000 2.398 697 D HA 0.085 4.730 4.640 0.009 0.000 0.210 697 D C 1.358 177.483 176.300 -0.292 0.000 1.094 697 D CA 0.533 54.503 54.000 -0.050 0.000 0.839 697 D CB 0.225 41.191 40.800 0.276 0.000 0.963 697 D HN 0.231 nan 8.370 nan 0.000 0.506 698 G N -0.029 108.671 108.800 -0.165 0.000 2.203 698 G HA2 -0.284 3.681 3.960 0.009 0.000 0.263 698 G HA3 -0.284 3.681 3.960 0.009 0.000 0.263 698 G C -0.320 174.541 174.900 -0.065 0.000 1.012 698 G CA 0.223 45.231 45.100 -0.152 0.000 0.749 698 G HN 0.278 nan 8.290 nan 0.000 0.512 699 F N 0.373 120.391 119.950 0.114 0.000 2.432 699 F HA 0.622 5.154 4.527 0.009 0.000 0.329 699 F C 0.950 176.812 175.800 0.104 0.000 1.076 699 F CA -1.260 56.806 58.000 0.110 0.000 1.018 699 F CB 1.319 40.396 39.000 0.129 0.000 1.201 699 F HN -0.043 nan 8.300 nan 0.000 0.489 700 K N 3.224 123.822 120.400 0.330 0.000 2.095 700 K HA 0.316 4.641 4.320 0.009 0.000 0.252 700 K C -1.888 174.791 176.600 0.132 0.000 0.977 700 K CA -1.523 54.883 56.287 0.199 0.000 0.900 700 K CB 0.845 33.440 32.500 0.159 0.000 1.060 700 K HN 0.172 nan 8.250 nan 0.000 0.449 701 P HA -0.257 nan 4.420 nan 0.000 0.216 701 P C 1.223 178.553 177.300 0.050 0.000 1.157 701 P CA 1.634 64.767 63.100 0.055 0.000 0.880 701 P CB 0.019 31.751 31.700 0.053 0.000 0.791 702 G N -0.268 108.585 108.800 0.088 0.000 2.480 702 G HA2 -0.310 3.655 3.960 0.009 0.000 0.216 702 G HA3 -0.310 3.655 3.960 0.009 0.000 0.216 702 G C 1.527 176.383 174.900 -0.073 0.000 1.200 702 G CA 0.958 46.100 45.100 0.069 0.000 0.782 702 G HN 0.317 nan 8.290 nan 0.000 0.554 703 Q N -0.454 119.289 119.800 -0.094 0.000 2.096 703 Q HA -0.088 4.257 4.340 0.009 0.000 0.204 703 Q C 2.629 178.261 176.000 -0.614 0.000 0.982 703 Q CA 1.274 56.910 55.803 -0.278 0.000 0.850 703 Q CB -0.192 28.470 28.738 -0.126 0.000 0.901 703 Q HN 0.443 nan 8.270 nan 0.000 0.422 704 R N 1.075 121.278 120.500 -0.496 0.000 2.115 704 R HA -0.118 4.228 4.340 0.009 0.000 0.230 704 R C 1.823 178.014 176.300 -0.182 0.000 1.111 704 R CA 1.207 57.045 56.100 -0.436 0.000 0.976 704 R CB 0.163 30.431 30.300 -0.052 0.000 0.870 704 R HN 0.121 nan 8.270 nan 0.000 0.445 705 K N -0.330 119.998 120.400 -0.121 0.000 2.057 705 K HA -0.078 4.247 4.320 0.009 0.000 0.206 705 K C 2.008 178.581 176.600 -0.046 0.000 1.050 705 K CA 1.437 57.710 56.287 -0.023 0.000 0.935 705 K CB -0.038 32.453 32.500 -0.015 0.000 0.715 705 K HN 0.003 nan 8.250 nan 0.000 0.439 706 V N 2.162 121.970 119.914 -0.177 0.000 2.255 706 V HA -0.276 3.850 4.120 0.009 0.000 0.247 706 V C 2.303 178.222 176.094 -0.291 0.000 1.051 706 V CA 1.722 63.899 62.300 -0.205 0.000 1.018 706 V CB -0.445 31.244 31.823 -0.225 0.000 0.641 706 V HN 0.311 nan 8.190 nan 0.000 0.445 707 L N -1.303 119.638 121.223 -0.470 0.000 2.046 707 L HA -0.220 4.125 4.340 0.009 0.000 0.208 707 L C 2.520 178.929 176.870 -0.768 0.000 1.077 707 L CA 2.151 56.521 54.840 -0.784 0.000 0.747 707 L CB -0.643 40.837 42.059 -0.964 0.000 0.896 707 L HN 0.499 nan 8.230 nan 0.000 0.432 708 Y N 0.785 120.898 120.300 -0.311 0.000 2.128 708 Y HA -0.235 4.320 4.550 0.010 0.000 0.284 708 Y C 2.276 178.191 175.900 0.025 0.000 1.154 708 Y CA 1.766 59.914 58.100 0.079 0.000 1.149 708 Y CB -0.692 37.880 38.460 0.186 0.000 0.976 708 Y HN 0.076 nan 8.280 nan 0.000 0.505 709 G N -0.915 107.816 108.800 -0.114 0.000 2.422 709 G HA2 -0.269 3.697 3.960 0.009 0.000 0.218 709 G HA3 -0.269 3.697 3.960 0.009 0.000 0.218 709 G C 1.622 176.473 174.900 -0.083 0.000 1.146 709 G CA 1.106 46.147 45.100 -0.099 0.000 0.769 709 G HN 0.555 nan 8.290 nan 0.000 0.547 710 C N 0.362 119.518 119.300 -0.239 0.000 2.435 710 C HA 0.094 4.560 4.460 0.009 0.000 0.279 710 C C 2.474 177.340 174.990 -0.207 0.000 1.321 710 C CA 0.035 58.889 59.018 -0.273 0.000 1.752 710 C CB -1.220 26.270 27.740 -0.416 0.000 1.959 710 C HN 0.381 nan 8.230 nan 0.000 0.500 711 F N 1.589 121.465 119.950 -0.123 0.000 2.163 711 F HA -0.034 4.498 4.527 0.009 0.000 0.297 711 F C 2.366 178.092 175.800 -0.123 0.000 1.094 711 F CA 1.135 59.071 58.000 -0.108 0.000 1.290 711 F CB -1.023 37.931 39.000 -0.076 0.000 1.017 711 F HN 0.194 nan 8.300 nan 0.000 0.483 712 K N 0.760 121.123 120.400 -0.062 0.000 2.002 712 K HA -0.177 4.148 4.320 0.009 0.000 0.209 712 K C 1.185 177.796 176.600 0.019 0.000 1.048 712 K CA 1.108 57.334 56.287 -0.101 0.000 0.930 712 K CB -0.131 32.220 32.500 -0.247 0.000 0.714 712 K HN 0.058 nan 8.250 nan 0.000 0.438 713 K N 0.926 121.358 120.400 0.053 0.000 2.126 713 K HA 0.035 4.360 4.320 0.009 0.000 0.257 713 K C -0.767 175.827 176.600 -0.010 0.000 1.007 713 K CA -0.391 55.899 56.287 0.005 0.000 0.928 713 K CB 0.656 33.067 32.500 -0.148 0.000 1.013 713 K HN 0.001 nan 8.250 nan 0.000 0.473 714 N N 3.509 122.196 118.700 -0.021 0.000 2.719 714 N HA 0.107 4.852 4.740 0.009 0.000 0.243 714 N C -0.695 174.802 175.510 -0.021 0.000 1.104 714 N CA -0.119 52.930 53.050 -0.002 0.000 0.981 714 N CB 0.262 38.751 38.487 0.004 0.000 1.290 714 N HN 0.392 nan 8.380 nan 0.000 0.513 715 L N 2.663 123.874 121.223 -0.020 0.000 2.727 715 L HA 0.150 4.495 4.340 0.009 0.000 0.237 715 L C 1.238 178.107 176.870 -0.001 0.000 1.370 715 L CA 0.295 55.115 54.840 -0.033 0.000 1.248 715 L CB -0.036 41.985 42.059 -0.062 0.000 1.556 715 L HN 0.095 nan 8.230 nan 0.000 0.420 716 K N -1.173 119.231 120.400 0.007 0.000 2.284 716 K HA 0.249 4.574 4.320 0.009 0.000 0.198 716 K C 0.785 177.393 176.600 0.013 0.000 1.048 716 K CA 0.328 56.626 56.287 0.018 0.000 0.987 716 K CB 0.152 32.664 32.500 0.020 0.000 0.800 716 K HN 0.504 nan 8.250 nan 0.000 0.486 717 S N 1.497 117.199 115.700 0.003 0.000 2.509 717 S HA 0.317 4.792 4.470 0.009 0.000 0.297 717 S C -0.087 174.521 174.600 0.012 0.000 1.118 717 S CA -0.954 57.248 58.200 0.005 0.000 1.074 717 S CB 1.864 65.063 63.200 -0.003 0.000 1.038 717 S HN 0.211 nan 8.310 nan 0.000 0.498 718 E N 2.775 122.993 120.200 0.030 0.000 2.392 718 E HA 0.571 4.926 4.350 0.009 0.000 0.259 718 E C -0.244 176.432 176.600 0.127 0.000 1.108 718 E CA -1.009 55.440 56.400 0.081 0.000 0.916 718 E CB 0.525 30.284 29.700 0.099 0.000 0.989 718 E HN 0.777 nan 8.360 nan 0.000 0.432 719 L N -1.434 119.897 121.223 0.180 0.000 2.465 719 L HA 0.516 4.861 4.340 0.009 0.000 0.257 719 L C -0.804 176.141 176.870 0.124 0.000 0.988 719 L CA -1.514 53.438 54.840 0.187 0.000 0.827 719 L CB 1.928 44.001 42.059 0.022 0.000 1.397 719 L HN 0.708 nan 8.230 nan 0.000 0.410 720 K N 1.192 121.515 120.400 -0.128 0.000 2.295 720 K HA 0.278 4.603 4.320 0.009 0.000 0.270 720 K C 0.348 176.816 176.600 -0.219 0.000 1.011 720 K CA -0.405 55.574 56.287 -0.512 0.000 0.953 720 K CB 1.700 33.721 32.500 -0.800 0.000 0.956 720 K HN 0.517 nan 8.250 nan 0.000 0.477 721 V N 2.544 122.346 119.914 -0.186 0.000 2.407 721 V HA -0.268 3.858 4.120 0.009 0.000 0.248 721 V C 2.413 178.441 176.094 -0.109 0.000 1.055 721 V CA 2.309 64.553 62.300 -0.092 0.000 1.049 721 V CB -0.993 30.782 31.823 -0.079 0.000 0.662 721 V HN 0.990 nan 8.190 nan 0.000 0.455 722 A N -1.145 121.581 122.820 -0.158 0.000 2.172 722 A HA -0.205 4.121 4.320 0.009 0.000 0.216 722 A C 2.140 179.670 177.584 -0.089 0.000 1.154 722 A CA 1.550 53.510 52.037 -0.129 0.000 0.701 722 A CB -0.275 18.625 19.000 -0.166 0.000 0.789 722 A HN 0.670 nan 8.150 nan 0.000 0.465 723 Q N -1.837 117.910 119.800 -0.088 0.000 2.394 723 Q HA 0.176 4.521 4.340 0.009 0.000 0.218 723 Q C 1.862 177.856 176.000 -0.010 0.000 0.907 723 Q CA 0.377 56.152 55.803 -0.046 0.000 0.919 723 Q CB -0.056 28.646 28.738 -0.059 0.000 1.051 723 Q HN 0.520 nan 8.270 nan 0.000 0.538 724 L N 1.042 122.247 121.223 -0.030 0.000 2.056 724 L HA -0.017 4.329 4.340 0.009 0.000 0.207 724 L C 2.148 179.043 176.870 0.041 0.000 1.078 724 L CA 1.920 56.760 54.840 -0.001 0.000 0.749 724 L CB -0.679 41.363 42.059 -0.028 0.000 0.901 724 L HN 0.129 nan 8.230 nan 0.000 0.433 725 A N 0.252 123.065 122.820 -0.013 0.000 1.865 725 A HA -0.135 4.190 4.320 0.009 0.000 0.217 725 A C 0.069 177.635 177.584 -0.031 0.000 1.191 725 A CA 2.149 54.157 52.037 -0.049 0.000 0.623 725 A CB -2.131 16.828 19.000 -0.067 0.000 0.826 725 A HN 0.456 nan 8.150 nan 0.000 0.444 726 P HA -0.130 nan 4.420 nan 0.000 0.219 726 P C 1.448 178.774 177.300 0.043 0.000 1.150 726 P CA 1.138 64.251 63.100 0.022 0.000 0.814 726 P CB -0.172 31.544 31.700 0.028 0.000 0.787 727 Y N 0.570 120.845 120.300 -0.041 0.000 2.114 727 Y HA -0.221 4.335 4.550 0.010 0.000 0.284 727 Y C 2.110 177.989 175.900 -0.035 0.000 1.143 727 Y CA 1.499 59.579 58.100 -0.034 0.000 1.135 727 Y CB -1.060 37.376 38.460 -0.040 0.000 0.980 727 Y HN -0.312 nan 8.280 nan 0.000 0.499 728 V N -0.398 119.553 119.914 0.061 0.000 2.287 728 V HA -0.340 3.785 4.120 0.009 0.000 0.248 728 V C 2.677 178.709 176.094 -0.103 0.000 1.053 728 V CA 2.171 64.444 62.300 -0.045 0.000 1.027 728 V CB -1.239 30.566 31.823 -0.030 0.000 0.646 728 V HN 0.565 nan 8.190 nan 0.000 0.447 729 S N -0.813 114.833 115.700 -0.091 0.000 2.359 729 S HA -0.303 4.173 4.470 0.009 0.000 0.224 729 S C 2.118 176.702 174.600 -0.026 0.000 1.035 729 S CA 2.216 60.402 58.200 -0.023 0.000 1.018 729 S CB -0.317 62.898 63.200 0.026 0.000 0.876 729 S HN 0.745 nan 8.310 nan 0.000 0.448 730 E N -0.211 119.938 120.200 -0.084 0.000 2.077 730 E HA -0.166 4.190 4.350 0.009 0.000 0.193 730 E C 2.241 178.766 176.600 -0.125 0.000 0.989 730 E CA 1.537 57.878 56.400 -0.099 0.000 0.800 730 E CB -0.222 29.406 29.700 -0.120 0.000 0.746 730 E HN 0.805 nan 8.360 nan 0.000 0.452 731 C N -0.263 118.918 119.300 -0.199 0.000 2.697 731 C HA 0.279 4.744 4.460 0.009 0.000 0.267 731 C C 2.108 177.101 174.990 0.005 0.000 1.278 731 C CA 0.454 59.389 59.018 -0.140 0.000 1.708 731 C CB -1.000 26.570 27.740 -0.282 0.000 1.860 731 C HN 0.427 nan 8.230 nan 0.000 0.589 732 T N -3.590 110.956 114.554 -0.013 0.000 3.084 732 T HA 0.526 4.881 4.350 0.009 0.000 0.270 732 T C 1.132 175.772 174.700 -0.100 0.000 1.008 732 T CA 0.833 62.927 62.100 -0.011 0.000 0.900 732 T CB -0.116 68.770 68.868 0.031 0.000 1.084 732 T HN 1.699 nan 8.240 nan 0.000 0.538 733 A N 0.481 123.227 122.820 -0.123 0.000 2.832 733 A HA -0.228 4.097 4.320 0.009 0.000 0.280 733 A C 0.163 177.398 177.584 -0.582 0.000 1.464 733 A CA 0.550 52.426 52.037 -0.267 0.000 0.804 733 A CB -2.956 15.905 19.000 -0.232 0.000 1.020 733 A HN 0.929 nan 8.150 nan 0.000 0.563 734 Y N 1.241 121.300 120.300 -0.402 0.000 2.650 734 Y HA 0.246 4.802 4.550 0.010 0.000 0.331 734 Y C 1.295 176.978 175.900 -0.361 0.000 1.165 734 Y CA 0.922 58.811 58.100 -0.352 0.000 1.473 734 Y CB 0.355 38.739 38.460 -0.128 0.000 1.224 734 Y HN 0.438 nan 8.280 nan 0.000 0.533 735 H N 5.046 123.698 119.070 -0.696 0.000 2.551 735 H HA 0.170 4.732 4.556 0.010 0.000 0.271 735 H C -0.147 174.743 175.328 -0.730 0.000 0.984 735 H CA 0.205 55.833 56.048 -0.700 0.000 1.164 735 H CB -0.004 29.226 29.762 -0.887 0.000 1.437 735 H HN 0.628 nan 8.280 nan 0.000 0.550 736 H N -0.572 118.169 119.070 -0.547 0.000 2.710 736 H HA 0.331 4.892 4.556 0.009 0.000 0.361 736 H C 0.781 176.212 175.328 0.172 0.000 1.175 736 H CA -0.831 55.074 56.048 -0.238 0.000 1.206 736 H CB 1.334 30.880 29.762 -0.360 0.000 1.750 736 H HN 0.202 nan 8.280 nan 0.000 0.553 737 G N 0.587 109.585 108.800 0.331 0.000 2.368 737 G HA2 -0.105 3.861 3.960 0.009 0.000 0.233 737 G HA3 -0.105 3.861 3.960 0.009 0.000 0.233 737 G C 0.658 175.756 174.900 0.331 0.000 1.267 737 G CA 0.012 45.274 45.100 0.270 0.000 0.873 737 G HN 0.598 nan 8.290 nan 0.000 0.539 738 E N 0.205 120.525 120.200 0.200 0.000 2.153 738 E HA -0.144 4.212 4.350 0.009 0.000 0.194 738 E C 2.462 179.092 176.600 0.049 0.000 0.988 738 E CA 1.102 57.561 56.400 0.099 0.000 0.811 738 E CB -0.082 29.647 29.700 0.049 0.000 0.746 738 E HN 0.756 nan 8.360 nan 0.000 0.466 739 Q N 0.002 119.842 119.800 0.066 0.000 2.112 739 Q HA -0.229 4.117 4.340 0.009 0.000 0.206 739 Q C 2.145 178.173 176.000 0.047 0.000 0.987 739 Q CA 1.780 57.607 55.803 0.040 0.000 0.858 739 Q CB -0.222 28.544 28.738 0.046 0.000 0.905 739 Q HN 0.253 nan 8.270 nan 0.000 0.420 740 S N -0.472 115.287 115.700 0.099 0.000 2.423 740 S HA -0.104 4.371 4.470 0.009 0.000 0.231 740 S C 1.723 176.352 174.600 0.048 0.000 1.014 740 S CA 0.668 58.933 58.200 0.108 0.000 0.965 740 S CB -0.082 63.232 63.200 0.190 0.000 0.785 740 S HN 0.418 nan 8.310 nan 0.000 0.495 741 L N 1.383 122.582 121.223 -0.040 0.000 2.131 741 L HA 0.348 4.693 4.340 0.009 0.000 0.206 741 L C 2.501 179.300 176.870 -0.117 0.000 1.087 741 L CA 1.583 56.292 54.840 -0.218 0.000 0.767 741 L CB -1.075 40.679 42.059 -0.507 0.000 0.917 741 L HN 0.306 nan 8.230 nan 0.000 0.441 742 A N -1.017 121.761 122.820 -0.070 0.000 1.902 742 A HA -0.271 4.055 4.320 0.009 0.000 0.217 742 A C 2.242 179.816 177.584 -0.017 0.000 1.181 742 A CA 1.743 53.752 52.037 -0.047 0.000 0.623 742 A CB -0.643 18.327 19.000 -0.050 0.000 0.818 742 A HN 0.506 nan 8.150 nan 0.000 0.443 743 Q N -0.221 119.577 119.800 -0.003 0.000 2.124 743 Q HA -0.118 4.227 4.340 0.009 0.000 0.202 743 Q C 1.975 178.000 176.000 0.043 0.000 0.977 743 Q CA 2.515 58.331 55.803 0.021 0.000 0.850 743 Q CB -0.985 27.771 28.738 0.031 0.000 0.901 743 Q HN 0.573 nan 8.270 nan 0.000 0.429 744 T N 0.799 115.367 114.554 0.024 0.000 2.720 744 T HA -0.115 4.240 4.350 0.009 0.000 0.268 744 T C 1.711 176.432 174.700 0.035 0.000 1.037 744 T CA 1.501 63.617 62.100 0.027 0.000 1.144 744 T CB -0.264 68.597 68.868 -0.012 0.000 0.864 744 T HN 0.300 nan 8.240 nan 0.000 0.444 745 I N 0.589 121.171 120.570 0.021 0.000 2.226 745 I HA -0.150 4.025 4.170 0.009 0.000 0.245 745 I C 2.272 178.489 176.117 0.165 0.000 1.100 745 I CA 1.312 62.645 61.300 0.055 0.000 1.374 745 I CB -0.481 37.543 38.000 0.041 0.000 1.057 745 I HN 0.237 nan 8.210 nan 0.000 0.413 746 I N 0.882 121.570 120.570 0.196 0.000 2.163 746 I HA -0.233 3.943 4.170 0.009 0.000 0.243 746 I C 2.719 179.001 176.117 0.276 0.000 1.085 746 I CA 1.779 63.284 61.300 0.341 0.000 1.347 746 I CB -1.029 37.062 38.000 0.153 0.000 1.044 746 I HN 0.276 nan 8.210 nan 0.000 0.408 747 G N 0.942 109.842 108.800 0.166 0.000 2.450 747 G HA2 -0.191 3.774 3.960 0.009 0.000 0.220 747 G HA3 -0.191 3.774 3.960 0.009 0.000 0.220 747 G C 1.687 176.656 174.900 0.115 0.000 1.130 747 G CA 0.455 45.637 45.100 0.137 0.000 0.760 747 G HN 0.300 nan 8.290 nan 0.000 0.557 748 L N 0.120 121.409 121.223 0.110 0.000 2.395 748 L HA 0.161 4.507 4.340 0.009 0.000 0.218 748 L C 2.980 179.905 176.870 0.091 0.000 1.130 748 L CA 0.627 55.530 54.840 0.105 0.000 0.826 748 L CB 0.014 42.117 42.059 0.073 0.000 0.941 748 L HN 0.331 nan 8.230 nan 0.000 0.451 749 A N -1.400 121.438 122.820 0.031 0.000 1.993 749 A HA 0.056 4.381 4.320 0.009 0.000 0.207 749 A C 1.010 178.444 177.584 -0.250 0.000 1.224 749 A CA -0.222 51.728 52.037 -0.145 0.000 0.749 749 A CB -0.017 18.679 19.000 -0.506 0.000 0.884 749 A HN 0.280 nan 8.150 nan 0.000 0.467 750 Q N 1.560 121.300 119.800 -0.100 0.000 2.436 750 Q HA -0.071 4.274 4.340 0.009 0.000 0.326 750 Q C -0.105 175.659 176.000 -0.393 0.000 1.079 750 Q CA 0.635 56.357 55.803 -0.134 0.000 1.049 750 Q CB 0.094 28.806 28.738 -0.045 0.000 1.047 750 Q HN 0.729 nan 8.270 nan 0.000 0.386 751 N N 2.262 120.709 118.700 -0.422 0.000 2.282 751 N HA 0.040 4.785 4.740 0.009 0.000 0.240 751 N C -0.693 174.711 175.510 -0.177 0.000 1.182 751 N CA -0.367 52.386 53.050 -0.494 0.000 0.874 751 N CB 0.146 38.076 38.487 -0.929 0.000 1.126 751 N HN 0.347 nan 8.380 nan 0.000 0.516 752 F N -0.522 119.419 119.950 -0.015 0.000 2.380 752 F HA 0.588 5.120 4.527 0.009 0.000 0.325 752 F C 0.493 176.360 175.800 0.112 0.000 1.136 752 F CA -1.643 56.382 58.000 0.042 0.000 1.171 752 F CB 0.181 39.200 39.000 0.031 0.000 1.230 752 F HN -0.280 nan 8.300 nan 0.000 0.554 753 V N 2.589 122.718 119.914 0.359 0.000 2.458 753 V HA 0.349 4.475 4.120 0.009 0.000 0.287 753 V C 0.980 177.289 176.094 0.358 0.000 1.009 753 V CA 1.242 63.709 62.300 0.278 0.000 1.091 753 V CB -0.187 31.795 31.823 0.266 0.000 0.960 753 V HN 1.326 nan 8.190 nan 0.000 0.476 754 G N 3.522 112.437 108.800 0.193 0.000 2.192 754 G HA2 -0.186 3.780 3.960 0.009 0.000 0.193 754 G HA3 -0.186 3.780 3.960 0.009 0.000 0.193 754 G C 0.279 175.325 174.900 0.243 0.000 0.999 754 G CA 0.304 45.521 45.100 0.196 0.000 0.659 754 G HN 1.092 nan 8.290 nan 0.000 0.503 755 S N -0.046 115.612 115.700 -0.069 0.000 2.702 755 S HA 0.646 5.121 4.470 0.009 0.000 0.272 755 S C 0.260 174.835 174.600 -0.043 0.000 1.068 755 S CA -0.438 57.615 58.200 -0.245 0.000 0.964 755 S CB 0.442 63.074 63.200 -0.948 0.000 1.307 755 S HN 0.275 nan 8.310 nan 0.000 0.567 756 N N 1.962 120.652 118.700 -0.017 0.000 2.412 756 N HA 0.061 4.807 4.740 0.009 0.000 0.258 756 N C 0.649 176.282 175.510 0.204 0.000 1.236 756 N CA 0.233 53.351 53.050 0.114 0.000 0.882 756 N CB -0.222 38.369 38.487 0.173 0.000 1.066 756 N HN 0.624 nan 8.380 nan 0.000 0.465 757 N N 1.212 120.020 118.700 0.180 0.000 2.166 757 N HA -0.044 4.701 4.740 0.009 0.000 0.186 757 N C -0.066 175.664 175.510 0.367 0.000 1.019 757 N CA 0.837 54.052 53.050 0.275 0.000 0.856 757 N CB 0.178 38.829 38.487 0.273 0.000 0.993 757 N HN 0.492 nan 8.380 nan 0.000 0.426 758 I N 1.173 121.861 120.570 0.197 0.000 2.497 758 I HA 0.140 4.315 4.170 0.009 0.000 0.284 758 I C -1.319 174.793 176.117 -0.008 0.000 1.060 758 I CA -0.881 60.386 61.300 -0.055 0.000 1.071 758 I CB 1.233 39.127 38.000 -0.176 0.000 1.216 758 I HN 0.019 nan 8.210 nan 0.000 0.442 759 Y N 5.103 125.458 120.300 0.092 0.000 2.404 759 Y HA 0.479 5.034 4.550 0.009 0.000 0.344 759 Y C 0.710 176.637 175.900 0.045 0.000 0.995 759 Y CA -1.011 57.134 58.100 0.074 0.000 1.201 759 Y CB 0.471 38.977 38.460 0.078 0.000 1.151 759 Y HN 0.461 nan 8.280 nan 0.000 0.517 760 L N 3.776 125.085 121.223 0.142 0.000 2.465 760 L HA 0.094 4.439 4.340 0.009 0.000 0.224 760 L C 0.052 176.972 176.870 0.085 0.000 1.145 760 L CA 0.525 55.426 54.840 0.102 0.000 0.834 760 L CB -0.240 41.911 42.059 0.153 0.000 0.944 760 L HN 0.615 nan 8.230 nan 0.000 0.451 761 L N 0.024 121.319 121.223 0.122 0.000 2.370 761 L HA 0.450 4.795 4.340 0.009 0.000 0.266 761 L C -0.575 176.355 176.870 0.100 0.000 1.002 761 L CA -0.720 54.158 54.840 0.063 0.000 0.818 761 L CB 2.499 44.554 42.059 -0.007 0.000 1.325 761 L HN -0.109 nan 8.230 nan 0.000 0.418 762 L N 3.310 124.556 121.223 0.037 0.000 2.305 762 L HA 0.315 4.661 4.340 0.009 0.000 0.281 762 L C -2.079 174.592 176.870 -0.331 0.000 1.085 762 L CA -1.649 53.195 54.840 0.006 0.000 0.813 762 L CB 0.865 42.965 42.059 0.067 0.000 1.157 762 L HN 0.275 nan 8.230 nan 0.000 0.436 763 P HA 0.088 nan 4.420 nan 0.000 0.237 763 P C -0.685 176.464 177.300 -0.252 0.000 1.788 763 P CA -0.244 62.287 63.100 -0.948 0.000 1.061 763 P CB -0.167 31.188 31.700 -0.576 0.000 1.967 764 N N 2.039 120.715 118.700 -0.039 0.000 3.243 764 N HA 0.310 5.055 4.740 0.009 0.000 0.310 764 N C 0.867 176.619 175.510 0.404 0.000 1.313 764 N CA 0.306 53.471 53.050 0.192 0.000 1.204 764 N CB -0.028 38.566 38.487 0.178 0.000 1.483 764 N HN 0.357 nan 8.380 nan 0.000 0.553 765 G N -1.456 107.618 108.800 0.456 0.000 2.317 765 G HA2 0.407 4.372 3.960 0.009 0.000 0.293 765 G HA3 0.407 4.372 3.960 0.009 0.000 0.293 765 G C -1.486 173.624 174.900 0.350 0.000 1.287 765 G CA -0.452 44.879 45.100 0.385 0.000 0.850 765 G HN 0.163 nan 8.290 nan 0.000 0.515 766 A N -0.198 122.709 122.820 0.146 0.000 3.026 766 A HA 0.545 4.871 4.320 0.009 0.000 0.272 766 A C 0.306 177.918 177.584 0.046 0.000 1.782 766 A CA -0.153 51.934 52.037 0.083 0.000 1.451 766 A CB -1.055 17.943 19.000 -0.002 0.000 1.081 766 A HN 0.657 nan 8.150 nan 0.000 0.611 767 F N 1.184 121.155 119.950 0.035 0.000 2.754 767 F HA 0.340 4.872 4.527 0.009 0.000 0.303 767 F C 1.544 177.383 175.800 0.065 0.000 1.196 767 F CA 0.870 58.898 58.000 0.046 0.000 1.416 767 F CB -0.284 38.740 39.000 0.040 0.000 1.092 767 F HN 0.730 nan 8.300 nan 0.000 0.541 768 G N 0.325 109.200 108.800 0.125 0.000 2.650 768 G HA2 0.111 4.076 3.960 0.009 0.000 0.686 768 G HA3 0.111 4.076 3.960 0.009 0.000 0.686 768 G C -0.354 174.505 174.900 -0.068 0.000 1.205 768 G CA -0.675 44.419 45.100 -0.010 0.000 0.781 768 G HN 0.406 nan 8.290 nan 0.000 0.648 769 T N -1.817 112.538 114.554 -0.332 0.000 2.807 769 T HA 0.689 5.044 4.350 0.009 0.000 0.277 769 T C 1.409 175.595 174.700 -0.856 0.000 1.006 769 T CA 0.276 62.147 62.100 -0.382 0.000 1.006 769 T CB 1.944 70.703 68.868 -0.182 0.000 1.274 769 T HN 1.002 nan 8.240 nan 0.000 0.569 770 R N -0.328 119.890 120.500 -0.471 0.000 2.235 770 R HA 0.092 4.437 4.340 0.009 0.000 0.213 770 R C 2.269 178.482 176.300 -0.144 0.000 1.059 770 R CA 1.100 57.032 56.100 -0.279 0.000 0.997 770 R CB -0.911 29.461 30.300 0.120 0.000 0.884 770 R HN 0.754 nan 8.270 nan 0.000 0.462 771 A N 0.281 122.982 122.820 -0.198 0.000 1.883 771 A HA -0.168 4.157 4.320 0.009 0.000 0.217 771 A C 1.867 179.394 177.584 -0.095 0.000 1.186 771 A CA 2.124 54.100 52.037 -0.103 0.000 0.624 771 A CB -0.502 18.426 19.000 -0.120 0.000 0.822 771 A HN 0.548 nan 8.150 nan 0.000 0.444 772 T N -5.524 108.838 114.554 -0.320 0.000 3.145 772 T HA 0.469 4.824 4.350 0.009 0.000 0.281 772 T C 0.946 175.101 174.700 -0.909 0.000 1.003 772 T CA 0.926 62.797 62.100 -0.381 0.000 0.901 772 T CB 0.238 68.957 68.868 -0.247 0.000 1.112 772 T HN 1.848 nan 8.240 nan 0.000 0.535 773 G N 0.789 108.681 108.800 -1.514 0.000 2.212 773 G HA2 0.212 4.178 3.960 0.009 0.000 0.255 773 G HA3 0.212 4.178 3.960 0.009 0.000 0.255 773 G C 1.094 175.330 174.900 -1.106 0.000 1.062 773 G CA 0.275 43.987 45.100 -2.312 0.000 0.815 773 G HN 1.747 nan 8.290 nan 0.000 0.497 774 G N -0.923 107.269 108.800 -1.014 0.000 2.179 774 G HA2 -0.315 3.650 3.960 0.009 0.000 0.260 774 G HA3 -0.315 3.650 3.960 0.009 0.000 0.260 774 G C 1.098 175.857 174.900 -0.234 0.000 0.977 774 G CA 1.252 46.100 45.100 -0.419 0.000 0.641 774 G HN 1.064 nan 8.290 nan 0.000 0.533 775 K N 0.613 120.834 120.400 -0.298 0.000 2.439 775 K HA 0.069 4.394 4.320 0.009 0.000 0.197 775 K C 1.431 177.948 176.600 -0.138 0.000 1.041 775 K CA 1.093 57.276 56.287 -0.175 0.000 0.970 775 K CB 0.008 32.406 32.500 -0.170 0.000 0.773 775 K HN 0.584 nan 8.250 nan 0.000 0.479 776 D N 0.244 120.541 120.400 -0.172 0.000 2.395 776 D HA 0.062 4.708 4.640 0.009 0.000 0.226 776 D C 0.086 176.327 176.300 -0.099 0.000 1.146 776 D CA -0.312 53.614 54.000 -0.124 0.000 0.830 776 D CB -0.115 40.603 40.800 -0.136 0.000 0.958 776 D HN -0.002 nan 8.370 nan 0.000 0.501 777 A N 0.342 123.108 122.820 -0.090 0.000 2.386 777 A HA 0.574 4.899 4.320 0.009 0.000 0.248 777 A C 0.736 178.276 177.584 -0.074 0.000 1.082 777 A CA -0.097 51.894 52.037 -0.076 0.000 0.789 777 A CB 0.351 19.308 19.000 -0.072 0.000 1.025 777 A HN 0.397 nan 8.150 nan 0.000 0.490 778 A N 0.750 123.521 122.820 -0.081 0.000 2.296 778 A HA 0.609 4.935 4.320 0.009 0.000 0.264 778 A C 0.948 178.541 177.584 0.016 0.000 1.097 778 A CA 0.123 52.156 52.037 -0.006 0.000 0.811 778 A CB -0.317 18.687 19.000 0.008 0.000 1.072 778 A HN 2.243 nan 8.150 nan 0.000 0.495 779 A N -0.419 122.506 122.820 0.174 0.000 2.448 779 A HA 0.459 4.784 4.320 0.009 0.000 0.239 779 A C 1.554 179.065 177.584 -0.122 0.000 1.080 779 A CA 0.390 52.430 52.037 0.006 0.000 0.779 779 A CB -0.435 18.531 19.000 -0.056 0.000 1.026 779 A HN 2.034 nan 8.150 nan 0.000 0.499 780 A N 0.943 123.654 122.820 -0.181 0.000 2.019 780 A HA -0.143 4.182 4.320 0.009 0.000 0.219 780 A C 2.052 179.471 177.584 -0.275 0.000 1.164 780 A CA 1.629 53.536 52.037 -0.217 0.000 0.644 780 A CB -0.474 18.429 19.000 -0.162 0.000 0.805 780 A HN 0.920 nan 8.150 nan 0.000 0.449 781 R N -2.147 118.138 120.500 -0.359 0.000 2.276 781 R HA -0.053 4.293 4.340 0.009 0.000 0.203 781 R C 1.204 177.241 176.300 -0.440 0.000 1.017 781 R CA 1.307 57.150 56.100 -0.428 0.000 1.010 781 R CB -0.437 29.564 30.300 -0.497 0.000 0.900 781 R HN 0.503 nan 8.270 nan 0.000 0.469 782 Y N 2.113 122.315 120.300 -0.163 0.000 2.301 782 Y HA 0.244 4.799 4.550 0.009 0.000 0.295 782 Y C 1.648 177.481 175.900 -0.113 0.000 1.126 782 Y CA -0.558 57.481 58.100 -0.102 0.000 1.154 782 Y CB -0.022 38.398 38.460 -0.066 0.000 1.075 782 Y HN 0.014 nan 8.280 nan 0.000 0.534 783 I N -1.958 118.577 120.570 -0.058 0.000 2.886 783 I HA 0.312 4.487 4.170 0.009 0.000 0.299 783 I C -1.093 174.957 176.117 -0.111 0.000 1.044 783 I CA -0.756 60.511 61.300 -0.056 0.000 1.310 783 I CB 0.755 38.440 38.000 -0.526 0.000 1.441 783 I HN -0.117 nan 8.210 nan 0.000 0.578 784 Y N 1.166 121.609 120.300 0.238 0.000 2.605 784 Y HA 0.687 5.243 4.550 0.009 0.000 0.343 784 Y C 0.323 176.416 175.900 0.322 0.000 1.036 784 Y CA -0.665 57.566 58.100 0.217 0.000 1.065 784 Y CB 2.244 40.783 38.460 0.132 0.000 1.288 784 Y HN 0.756 nan 8.280 nan 0.000 0.481 785 T N 0.485 115.237 114.554 0.330 0.000 2.739 785 T HA 0.635 4.990 4.350 0.009 0.000 0.303 785 T C -1.976 172.780 174.700 0.094 0.000 1.389 785 T CA -0.629 61.570 62.100 0.165 0.000 1.001 785 T CB 1.597 70.550 68.868 0.142 0.000 1.436 785 T HN 0.851 nan 8.240 nan 0.000 0.500 786 E N 0.962 121.184 120.200 0.038 0.000 2.432 786 E HA 0.427 4.783 4.350 0.009 0.000 0.279 786 E C -1.399 175.208 176.600 0.013 0.000 1.099 786 E CA -1.075 55.338 56.400 0.022 0.000 0.859 786 E CB 0.653 30.374 29.700 0.035 0.000 1.402 786 E HN 0.502 nan 8.360 nan 0.000 0.451 787 L N 1.990 123.217 121.223 0.008 0.000 2.462 787 L HA 0.160 4.506 4.340 0.009 0.000 0.272 787 L C 0.534 177.437 176.870 0.055 0.000 1.166 787 L CA -0.443 54.410 54.840 0.022 0.000 0.880 787 L CB 0.190 42.271 42.059 0.037 0.000 1.142 787 L HN 0.522 nan 8.230 nan 0.000 0.473 788 N N 3.398 122.139 118.700 0.067 0.000 2.483 788 N HA -0.042 4.703 4.740 0.009 0.000 0.264 788 N C 0.805 176.357 175.510 0.070 0.000 1.197 788 N CA 0.304 53.398 53.050 0.074 0.000 0.927 788 N CB 0.944 39.453 38.487 0.036 0.000 1.065 788 N HN 0.488 nan 8.380 nan 0.000 0.461 789 K N 2.469 122.911 120.400 0.069 0.000 2.218 789 K HA -0.189 4.136 4.320 0.009 0.000 0.205 789 K C 1.378 178.017 176.600 0.065 0.000 1.046 789 K CA 0.967 57.292 56.287 0.064 0.000 0.933 789 K CB 0.027 32.561 32.500 0.056 0.000 0.728 789 K HN 0.408 nan 8.250 nan 0.000 0.454 790 L N 0.766 122.017 121.223 0.047 0.000 2.418 790 L HA -0.032 4.313 4.340 0.009 0.000 0.218 790 L C 1.729 178.672 176.870 0.120 0.000 1.125 790 L CA 1.419 56.286 54.840 0.044 0.000 0.835 790 L CB -0.244 41.773 42.059 -0.069 0.000 0.953 790 L HN 0.031 nan 8.230 nan 0.000 0.454 791 T N -0.704 113.932 114.554 0.135 0.000 2.684 791 T HA -0.229 4.126 4.350 0.009 0.000 0.267 791 T C 1.966 176.864 174.700 0.329 0.000 1.036 791 T CA 1.588 63.841 62.100 0.255 0.000 1.148 791 T CB -0.209 68.798 68.868 0.233 0.000 0.863 791 T HN 0.124 nan 8.240 nan 0.000 0.436 792 R N 0.931 121.564 120.500 0.222 0.000 2.280 792 R HA 0.115 4.461 4.340 0.009 0.000 0.207 792 R C 2.089 178.439 176.300 0.083 0.000 1.043 792 R CA 0.659 56.837 56.100 0.130 0.000 1.006 792 R CB -0.042 30.289 30.300 0.051 0.000 0.885 792 R HN 0.204 nan 8.270 nan 0.000 0.467 793 K N -0.315 120.172 120.400 0.145 0.000 2.243 793 K HA 0.061 4.386 4.320 0.009 0.000 0.201 793 K C 1.777 178.507 176.600 0.217 0.000 1.051 793 K CA 0.923 57.324 56.287 0.190 0.000 0.970 793 K CB 0.131 32.776 32.500 0.242 0.000 0.755 793 K HN 0.262 nan 8.250 nan 0.000 0.465 794 I N -0.334 120.344 120.570 0.180 0.000 2.296 794 I HA -0.101 4.075 4.170 0.009 0.000 0.242 794 I C 0.362 176.350 176.117 -0.216 0.000 1.087 794 I CA 0.687 61.945 61.300 -0.070 0.000 1.393 794 I CB -0.015 37.918 38.000 -0.113 0.000 1.093 794 I HN -0.135 nan 8.210 nan 0.000 0.421 795 F N 1.783 121.773 119.950 0.067 0.000 2.329 795 F HA 0.260 4.792 4.527 0.009 0.000 0.362 795 F C 0.716 176.517 175.800 0.001 0.000 1.113 795 F CA -0.539 57.488 58.000 0.045 0.000 1.212 795 F CB -0.534 38.459 39.000 -0.011 0.000 1.509 795 F HN 0.047 nan 8.300 nan 0.000 0.546 796 H N 4.439 123.563 119.070 0.089 0.000 3.001 796 H HA 0.020 4.582 4.556 0.009 0.000 0.334 796 H C -1.639 173.706 175.328 0.029 0.000 1.034 796 H CA -1.006 55.071 56.048 0.049 0.000 1.420 796 H CB 1.528 31.305 29.762 0.024 0.000 1.405 796 H HN 0.270 nan 8.280 nan 0.000 0.593 797 P HA -0.088 nan 4.420 nan 0.000 0.218 797 P C 1.000 178.388 177.300 0.146 0.000 1.149 797 P CA 1.646 64.739 63.100 -0.012 0.000 0.817 797 P CB 0.072 31.711 31.700 -0.102 0.000 0.785 798 A N -0.332 122.708 122.820 0.367 0.000 2.178 798 A HA -0.167 4.159 4.320 0.009 0.000 0.218 798 A C 1.762 179.359 177.584 0.022 0.000 1.157 798 A CA 1.499 53.654 52.037 0.196 0.000 0.689 798 A CB -1.000 18.099 19.000 0.164 0.000 0.787 798 A HN 0.120 nan 8.150 nan 0.000 0.465 799 D N -0.130 120.288 120.400 0.030 0.000 2.305 799 D HA -0.061 4.584 4.640 0.009 0.000 0.206 799 D C 0.752 176.902 176.300 -0.250 0.000 0.974 799 D CA 0.541 54.429 54.000 -0.187 0.000 0.871 799 D CB -0.186 40.542 40.800 -0.119 0.000 0.947 799 D HN 0.323 nan 8.370 nan 0.000 0.516 800 D N 1.316 121.792 120.400 0.126 0.000 2.126 800 D HA -0.163 4.482 4.640 0.009 0.000 0.190 800 D C -0.869 175.571 176.300 0.234 0.000 1.001 800 D CA 1.156 55.368 54.000 0.353 0.000 0.841 800 D CB -1.641 39.347 40.800 0.314 0.000 0.949 800 D HN 0.285 nan 8.370 nan 0.000 0.446 801 P HA -0.012 nan 4.420 nan 0.000 0.231 801 P C 1.363 178.507 177.300 -0.259 0.000 1.158 801 P CA 0.649 63.694 63.100 -0.092 0.000 0.763 801 P CB -0.038 31.504 31.700 -0.262 0.000 0.805 802 L N -3.298 117.705 121.223 -0.367 0.000 2.202 802 L HA 0.017 4.362 4.340 0.009 0.000 0.205 802 L C 0.940 177.639 176.870 -0.285 0.000 1.083 802 L CA 0.260 54.866 54.840 -0.390 0.000 0.790 802 L CB -0.757 41.049 42.059 -0.421 0.000 0.942 802 L HN -0.058 nan 8.230 nan 0.000 0.452 803 Y N 0.694 120.880 120.300 -0.190 0.000 2.385 803 Y HA 0.016 4.571 4.550 0.009 0.000 0.346 803 Y C 0.816 176.415 175.900 -0.502 0.000 1.270 803 Y CA -0.293 57.512 58.100 -0.492 0.000 1.472 803 Y CB 0.152 38.117 38.460 -0.825 0.000 1.354 803 Y HN -0.113 nan 8.280 nan 0.000 0.611 804 K N 2.146 122.281 120.400 -0.443 0.000 2.266 804 K HA 0.241 4.566 4.320 0.009 0.000 0.274 804 K C -1.816 174.548 176.600 -0.393 0.000 1.090 804 K CA -0.355 55.739 56.287 -0.322 0.000 0.925 804 K CB -0.154 32.164 32.500 -0.304 0.000 1.225 804 K HN 0.559 nan 8.250 nan 0.000 0.458 805 Y N 4.677 124.877 120.300 -0.167 0.000 2.480 805 Y HA 0.121 4.676 4.550 0.008 0.000 0.341 805 Y C 0.749 176.549 175.900 -0.167 0.000 1.031 805 Y CA -0.427 57.559 58.100 -0.190 0.000 1.295 805 Y CB 0.286 38.669 38.460 -0.128 0.000 1.162 805 Y HN 0.374 nan 8.280 nan 0.000 0.523 806 I N 3.459 123.971 120.570 -0.095 0.000 2.826 806 I HA -0.137 4.038 4.170 0.009 0.000 0.295 806 I C 0.330 176.435 176.117 -0.020 0.000 1.213 806 I CA 0.317 61.572 61.300 -0.076 0.000 1.436 806 I CB 0.383 38.319 38.000 -0.107 0.000 1.348 806 I HN 0.545 nan 8.210 nan 0.000 0.570 807 Q N 6.950 126.757 119.800 0.011 0.000 2.296 807 Q HA 0.333 4.678 4.340 0.009 0.000 0.257 807 Q C -0.888 175.162 176.000 0.082 0.000 0.942 807 Q CA -0.029 55.803 55.803 0.049 0.000 0.939 807 Q CB 0.928 29.705 28.738 0.065 0.000 1.198 807 Q HN 0.584 nan 8.270 nan 0.000 0.429 808 E N 3.192 123.444 120.200 0.088 0.000 2.311 808 E HA 0.258 4.614 4.350 0.009 0.000 0.281 808 E C -1.271 175.408 176.600 0.132 0.000 0.905 808 E CA -0.427 56.047 56.400 0.123 0.000 0.778 808 E CB 0.790 30.530 29.700 0.068 0.000 1.240 808 E HN 0.649 nan 8.360 nan 0.000 0.410 809 D N 3.707 124.228 120.400 0.201 0.000 2.739 809 D HA -0.198 4.448 4.640 0.009 0.000 0.240 809 D C -0.311 176.097 176.300 0.179 0.000 1.114 809 D CA 1.600 55.715 54.000 0.193 0.000 0.695 809 D CB -1.081 39.799 40.800 0.133 0.000 1.078 809 D HN 0.825 nan 8.370 nan 0.000 0.434 810 E N -0.811 119.536 120.200 0.245 0.000 2.328 810 E HA -0.352 4.003 4.350 0.009 0.000 0.233 810 E C -0.347 176.269 176.600 0.026 0.000 1.219 810 E CA 1.609 58.076 56.400 0.111 0.000 0.717 810 E CB -0.578 29.090 29.700 -0.052 0.000 1.210 810 E HN 0.627 nan 8.360 nan 0.000 0.381 811 K N 0.063 120.496 120.400 0.055 0.000 2.610 811 K HA 0.211 4.537 4.320 0.009 0.000 0.267 811 K C -1.238 175.376 176.600 0.022 0.000 0.943 811 K CA -0.410 55.891 56.287 0.022 0.000 0.862 811 K CB 1.525 34.036 32.500 0.018 0.000 1.376 811 K HN -0.039 nan 8.250 nan 0.000 0.412 812 T N 2.887 117.445 114.554 0.007 0.000 2.851 812 T HA 0.350 4.706 4.350 0.009 0.000 0.298 812 T C 0.329 175.014 174.700 -0.026 0.000 0.977 812 T CA -0.237 61.861 62.100 -0.003 0.000 1.126 812 T CB 0.693 69.549 68.868 -0.020 0.000 0.916 812 T HN 0.437 nan 8.240 nan 0.000 0.529 813 V N 1.207 121.066 119.914 -0.092 0.000 4.114 813 V HA 0.707 4.833 4.120 0.009 0.000 0.293 813 V C 0.417 176.151 176.094 -0.600 0.000 1.371 813 V CA -1.073 61.067 62.300 -0.265 0.000 0.929 813 V CB 0.670 32.376 31.823 -0.195 0.000 1.281 813 V HN 0.750 nan 8.190 nan 0.000 0.468 814 E N 1.551 121.268 120.200 -0.806 0.000 2.408 814 E HA 0.287 4.643 4.350 0.009 0.000 0.259 814 E C -2.680 173.651 176.600 -0.450 0.000 1.110 814 E CA -1.456 54.449 56.400 -0.825 0.000 0.929 814 E CB 0.041 29.478 29.700 -0.439 0.000 0.971 814 E HN 0.515 nan 8.360 nan 0.000 0.438 815 P HA 0.092 nan 4.420 nan 0.000 0.274 815 P C 0.292 177.261 177.300 -0.551 0.000 1.246 815 P CA -0.200 62.426 63.100 -0.790 0.000 0.795 815 P CB 0.455 31.383 31.700 -1.287 0.000 1.006 816 E N 0.353 120.203 120.200 -0.583 0.000 2.077 816 E HA -0.099 4.257 4.350 0.009 0.000 0.193 816 E C 0.104 176.528 176.600 -0.294 0.000 0.989 816 E CA 1.301 57.431 56.400 -0.450 0.000 0.800 816 E CB -0.043 29.315 29.700 -0.570 0.000 0.746 816 E HN 0.564 nan 8.360 nan 0.000 0.452 817 W N -1.655 119.477 121.300 -0.280 0.000 3.213 817 W HA 0.416 5.081 4.660 0.009 0.000 0.318 817 W C -1.225 174.995 176.519 -0.498 0.000 1.248 817 W CA -1.092 56.118 57.345 -0.225 0.000 1.187 817 W CB 0.031 29.433 29.460 -0.097 0.000 1.403 817 W HN -0.252 nan 8.180 nan 0.000 0.556 818 Y N 1.384 121.727 120.300 0.072 0.000 2.374 818 Y HA 0.509 5.064 4.550 0.010 0.000 0.322 818 Y C 0.108 176.152 175.900 0.240 0.000 1.275 818 Y CA -0.775 57.208 58.100 -0.195 0.000 1.307 818 Y CB 1.321 39.892 38.460 0.186 0.000 1.282 818 Y HN 0.186 nan 8.280 nan 0.000 0.509 819 L N 5.011 126.556 121.223 0.538 0.000 2.408 819 L HA 0.504 4.849 4.340 0.009 0.000 0.257 819 L C -2.617 174.336 176.870 0.139 0.000 1.053 819 L CA -2.326 52.698 54.840 0.307 0.000 0.922 819 L CB 0.476 42.638 42.059 0.170 0.000 1.261 819 L HN 0.361 nan 8.230 nan 0.000 0.458 820 P HA 0.153 nan 4.420 nan 0.000 0.270 820 P C 1.360 178.615 177.300 -0.076 0.000 1.223 820 P CA -0.134 62.748 63.100 -0.364 0.000 0.785 820 P CB 0.599 31.888 31.700 -0.685 0.000 0.923 821 I N -0.349 120.144 120.570 -0.129 0.000 3.176 821 I HA 0.079 4.255 4.170 0.009 0.000 0.275 821 I C 0.347 176.626 176.117 0.269 0.000 1.298 821 I CA 0.827 62.180 61.300 0.089 0.000 1.445 821 I CB -0.649 37.425 38.000 0.123 0.000 1.075 821 I HN 0.111 nan 8.210 nan 0.000 0.482 822 L N -1.762 119.418 121.223 -0.071 0.000 2.506 822 L HA 0.712 5.057 4.340 0.009 0.000 0.257 822 L C -3.049 173.314 176.870 -0.845 0.000 0.964 822 L CA -2.031 52.615 54.840 -0.323 0.000 0.836 822 L CB 1.816 43.621 42.059 -0.424 0.000 1.384 822 L HN -0.314 nan 8.230 nan 0.000 0.410 823 P HA 0.054 nan 4.420 nan 0.000 0.261 823 P C 0.103 177.005 177.300 -0.663 0.000 1.203 823 P CA -0.062 62.277 63.100 -1.268 0.000 0.767 823 P CB 0.761 31.824 31.700 -1.063 0.000 0.785 824 M N 3.345 122.625 119.600 -0.534 0.000 2.388 824 M HA -0.002 4.484 4.480 0.009 0.000 0.265 824 M C 1.961 178.087 176.300 -0.290 0.000 1.088 824 M CA 0.666 55.737 55.300 -0.381 0.000 1.134 824 M CB -0.867 31.505 32.600 -0.379 0.000 1.384 824 M HN 0.340 nan 8.290 nan 0.000 0.447 825 I N 0.441 120.829 120.570 -0.304 0.000 2.286 825 I HA -0.298 3.877 4.170 0.009 0.000 0.248 825 I C 1.916 177.934 176.117 -0.166 0.000 1.115 825 I CA 1.230 62.399 61.300 -0.218 0.000 1.392 825 I CB 0.114 37.983 38.000 -0.218 0.000 1.065 825 I HN 0.180 nan 8.210 nan 0.000 0.418 826 L N -0.637 120.462 121.223 -0.208 0.000 2.179 826 L HA -0.120 4.225 4.340 0.009 0.000 0.208 826 L C 2.446 179.342 176.870 0.044 0.000 1.096 826 L CA 0.489 55.275 54.840 -0.089 0.000 0.779 826 L CB -0.443 41.447 42.059 -0.282 0.000 0.922 826 L HN 0.107 nan 8.230 nan 0.000 0.443 827 V N 0.356 120.223 119.914 -0.080 0.000 2.237 827 V HA -0.266 3.859 4.120 0.009 0.000 0.245 827 V C 1.980 178.075 176.094 0.002 0.000 1.046 827 V CA 2.014 64.296 62.300 -0.030 0.000 1.007 827 V CB -0.460 31.304 31.823 -0.098 0.000 0.638 827 V HN 0.506 nan 8.190 nan 0.000 0.445 828 N N -0.857 117.822 118.700 -0.036 0.000 2.415 828 N HA 0.244 4.989 4.740 0.009 0.000 0.174 828 N C 1.001 176.476 175.510 -0.058 0.000 1.048 828 N CA 1.051 54.088 53.050 -0.022 0.000 0.895 828 N CB 0.666 39.156 38.487 0.005 0.000 1.036 828 N HN 0.563 nan 8.380 nan 0.000 0.449 829 G N 0.412 109.168 108.800 -0.072 0.000 2.681 829 G HA2 0.219 4.185 3.960 0.009 0.000 0.220 829 G HA3 0.219 4.185 3.960 0.009 0.000 0.220 829 G C -0.983 173.872 174.900 -0.074 0.000 1.353 829 G CA -0.248 44.788 45.100 -0.107 0.000 0.872 829 G HN 0.680 nan 8.290 nan 0.000 0.557 830 A N -0.774 121.987 122.820 -0.097 0.000 2.605 830 A HA 0.843 5.169 4.320 0.009 0.000 0.294 830 A C -0.698 176.903 177.584 0.028 0.000 1.062 830 A CA 0.753 52.786 52.037 -0.008 0.000 0.682 830 A CB 1.745 20.752 19.000 0.012 0.000 1.278 830 A HN 1.366 nan 8.150 nan 0.000 0.410 831 E N -0.094 120.177 120.200 0.118 0.000 2.331 831 E HA 0.664 5.020 4.350 0.009 0.000 0.275 831 E C -0.390 176.304 176.600 0.158 0.000 0.895 831 E CA -0.374 56.141 56.400 0.192 0.000 0.753 831 E CB 2.447 32.310 29.700 0.272 0.000 1.216 831 E HN 1.488 nan 8.360 nan 0.000 0.434 832 G N 2.077 110.970 108.800 0.156 0.000 2.632 832 G HA2 0.530 4.495 3.960 0.009 0.000 0.292 832 G HA3 0.530 4.495 3.960 0.009 0.000 0.292 832 G C -1.567 173.409 174.900 0.126 0.000 1.465 832 G CA -0.653 44.525 45.100 0.131 0.000 0.824 832 G HN 0.419 nan 8.290 nan 0.000 0.509 833 I N 1.666 122.303 120.570 0.112 0.000 2.503 833 I HA 0.519 4.694 4.170 0.009 0.000 0.282 833 I C 0.793 176.965 176.117 0.091 0.000 1.059 833 I CA -0.589 60.776 61.300 0.107 0.000 1.081 833 I CB 1.648 39.711 38.000 0.105 0.000 1.210 833 I HN 0.707 nan 8.210 nan 0.000 0.450 834 G N 3.712 112.569 108.800 0.095 0.000 2.945 834 G HA2 0.532 4.498 3.960 0.009 0.000 0.156 834 G HA3 0.532 4.498 3.960 0.009 0.000 0.156 834 G C -0.541 174.400 174.900 0.069 0.000 1.375 834 G CA -0.241 44.896 45.100 0.061 0.000 1.039 834 G HN 0.358 nan 8.290 nan 0.000 0.586 835 T N -0.360 114.231 114.554 0.061 0.000 2.779 835 T HA 0.506 4.862 4.350 0.009 0.000 0.280 835 T C 1.115 175.885 174.700 0.117 0.000 0.987 835 T CA 0.937 63.086 62.100 0.082 0.000 0.966 835 T CB 1.062 69.967 68.868 0.063 0.000 0.933 835 T HN 1.700 nan 8.240 nan 0.000 0.442 836 G N 2.869 111.700 108.800 0.051 0.000 2.609 836 G HA2 -0.250 3.715 3.960 0.009 0.000 0.235 836 G HA3 -0.250 3.715 3.960 0.009 0.000 0.235 836 G C -0.060 174.700 174.900 -0.234 0.000 1.177 836 G CA 0.022 45.066 45.100 -0.094 0.000 0.707 836 G HN 0.647 nan 8.290 nan 0.000 0.513 837 W N 0.820 122.124 121.300 0.006 0.000 2.627 837 W HA 0.779 5.443 4.660 0.008 0.000 0.339 837 W C 0.419 176.939 176.519 0.000 0.000 1.058 837 W CA -0.081 57.257 57.345 -0.013 0.000 1.223 837 W CB 2.050 31.473 29.460 -0.061 0.000 1.389 837 W HN 0.348 nan 8.180 nan 0.000 0.541 838 S N 0.766 116.642 115.700 0.293 0.000 2.661 838 S HA 0.804 5.279 4.470 0.009 0.000 0.285 838 S C -1.182 173.540 174.600 0.202 0.000 1.138 838 S CA -0.427 57.891 58.200 0.196 0.000 0.855 838 S CB 1.880 65.165 63.200 0.141 0.000 1.136 838 S HN 0.387 nan 8.310 nan 0.000 0.484 839 T N 1.336 115.996 114.554 0.176 0.000 2.923 839 T HA 0.625 4.980 4.350 0.009 0.000 0.311 839 T C -2.371 172.479 174.700 0.249 0.000 1.183 839 T CA -0.294 61.914 62.100 0.180 0.000 1.020 839 T CB 1.281 70.221 68.868 0.121 0.000 1.165 839 T HN 0.591 nan 8.240 nan 0.000 0.482 840 Y N 3.780 124.137 120.300 0.094 0.000 2.479 840 Y HA 0.747 5.302 4.550 0.009 0.000 0.338 840 Y C -1.789 174.164 175.900 0.088 0.000 1.055 840 Y CA -1.192 56.959 58.100 0.085 0.000 1.023 840 Y CB 1.277 39.785 38.460 0.079 0.000 1.287 840 Y HN 0.644 nan 8.280 nan 0.000 0.447 841 I N 8.563 128.782 120.570 -0.585 0.000 2.534 841 I HA 0.354 4.529 4.170 0.009 0.000 0.286 841 I C -2.620 173.096 176.117 -0.669 0.000 1.094 841 I CA -1.992 59.037 61.300 -0.451 0.000 1.055 841 I CB 2.419 40.328 38.000 -0.152 0.000 1.225 841 I HN 0.391 nan 8.210 nan 0.000 0.435 842 P HA 0.320 nan 4.420 nan 0.000 0.274 842 P C -2.732 174.207 177.300 -0.602 0.000 1.237 842 P CA -1.672 61.074 63.100 -0.592 0.000 0.793 842 P CB 0.015 31.426 31.700 -0.482 0.000 0.977 843 P HA 0.310 nan 4.420 nan 0.000 0.274 843 P C -0.862 175.994 177.300 -0.740 0.000 1.246 843 P CA 0.341 63.131 63.100 -0.516 0.000 0.795 843 P CB 0.277 31.658 31.700 -0.532 0.000 1.006 844 F N -0.961 118.924 119.950 -0.109 0.000 2.613 844 F HA 0.323 4.856 4.527 0.009 0.000 0.310 844 F C 0.559 176.409 175.800 0.082 0.000 1.085 844 F CA -0.915 57.072 58.000 -0.023 0.000 0.945 844 F CB 1.092 40.025 39.000 -0.112 0.000 1.298 844 F HN 0.112 nan 8.300 nan 0.000 0.455 845 N N 3.165 121.973 118.700 0.180 0.000 2.427 845 N HA 0.146 4.891 4.740 0.009 0.000 0.269 845 N C -1.977 173.376 175.510 -0.261 0.000 1.235 845 N CA -1.736 51.100 53.050 -0.357 0.000 0.934 845 N CB 1.096 39.038 38.487 -0.909 0.000 1.121 845 N HN 0.167 nan 8.380 nan 0.000 0.480 846 P HA -0.141 nan 4.420 nan 0.000 0.217 846 P C 1.462 178.605 177.300 -0.260 0.000 1.148 846 P CA 1.101 64.040 63.100 -0.268 0.000 0.828 846 P CB 0.290 31.731 31.700 -0.431 0.000 0.783 847 L N -0.678 120.384 121.223 -0.267 0.000 2.083 847 L HA -0.168 4.177 4.340 0.009 0.000 0.209 847 L C 2.400 179.171 176.870 -0.165 0.000 1.083 847 L CA 1.407 56.144 54.840 -0.171 0.000 0.752 847 L CB -0.915 41.064 42.059 -0.133 0.000 0.899 847 L HN 0.005 nan 8.230 nan 0.000 0.433 848 E N 0.374 120.460 120.200 -0.190 0.000 2.106 848 E HA -0.156 4.199 4.350 0.009 0.000 0.192 848 E C 2.271 178.783 176.600 -0.148 0.000 0.984 848 E CA 1.139 57.454 56.400 -0.141 0.000 0.806 848 E CB -0.178 29.451 29.700 -0.118 0.000 0.750 848 E HN 0.545 nan 8.360 nan 0.000 0.458 849 I N 1.011 121.477 120.570 -0.175 0.000 2.226 849 I HA -0.241 3.935 4.170 0.009 0.000 0.245 849 I C 2.433 178.434 176.117 -0.192 0.000 1.100 849 I CA 1.017 62.198 61.300 -0.198 0.000 1.374 849 I CB -0.310 37.551 38.000 -0.232 0.000 1.057 849 I HN 0.020 nan 8.210 nan 0.000 0.413 850 I N 0.572 121.029 120.570 -0.189 0.000 2.394 850 I HA -0.260 3.915 4.170 0.009 0.000 0.251 850 I C 2.611 178.598 176.117 -0.216 0.000 1.136 850 I CA 1.144 62.331 61.300 -0.188 0.000 1.425 850 I CB -0.408 37.510 38.000 -0.137 0.000 1.079 850 I HN 0.215 nan 8.210 nan 0.000 0.425 851 K N 1.263 121.541 120.400 -0.202 0.000 2.002 851 K HA -0.201 4.125 4.320 0.009 0.000 0.209 851 K C 1.942 178.342 176.600 -0.333 0.000 1.048 851 K CA 1.733 57.859 56.287 -0.267 0.000 0.930 851 K CB -0.028 32.375 32.500 -0.163 0.000 0.714 851 K HN 0.179 nan 8.250 nan 0.000 0.438 852 N N 0.999 119.616 118.700 -0.138 0.000 2.223 852 N HA -0.106 4.639 4.740 0.009 0.000 0.185 852 N C 1.738 177.157 175.510 -0.152 0.000 1.016 852 N CA 0.898 53.923 53.050 -0.042 0.000 0.863 852 N CB -0.104 38.345 38.487 -0.063 0.000 0.983 852 N HN 0.270 nan 8.380 nan 0.000 0.429 853 I N 0.264 120.715 120.570 -0.198 0.000 2.226 853 I HA -0.228 3.948 4.170 0.009 0.000 0.245 853 I C 2.054 177.978 176.117 -0.322 0.000 1.100 853 I CA 0.902 62.070 61.300 -0.219 0.000 1.374 853 I CB 0.008 37.887 38.000 -0.201 0.000 1.057 853 I HN 0.000 nan 8.210 nan 0.000 0.413 854 R N 0.006 120.293 120.500 -0.356 0.000 2.096 854 R HA -0.136 4.209 4.340 0.009 0.000 0.235 854 R C 2.281 178.391 176.300 -0.315 0.000 1.127 854 R CA 1.183 57.063 56.100 -0.367 0.000 0.968 854 R CB -0.689 29.376 30.300 -0.392 0.000 0.861 854 R HN 0.419 nan 8.270 nan 0.000 0.440 855 H N -0.139 118.806 119.070 -0.208 0.000 2.357 855 H HA -0.034 4.527 4.556 0.009 0.000 0.301 855 H C 2.021 177.193 175.328 -0.259 0.000 1.082 855 H CA 1.281 57.212 56.048 -0.195 0.000 1.342 855 H CB -0.288 29.373 29.762 -0.168 0.000 1.389 855 H HN 0.157 nan 8.280 nan 0.000 0.511 856 L N 0.023 121.085 121.223 -0.268 0.000 2.083 856 L HA -0.191 4.154 4.340 0.009 0.000 0.209 856 L C 2.632 179.178 176.870 -0.540 0.000 1.083 856 L CA 0.889 55.377 54.840 -0.587 0.000 0.752 856 L CB -0.292 41.067 42.059 -1.167 0.000 0.899 856 L HN 0.249 nan 8.230 nan 0.000 0.433 857 M N -0.523 118.864 119.600 -0.354 0.000 2.080 857 M HA -0.203 4.283 4.480 0.009 0.000 0.260 857 M C 1.046 177.296 176.300 -0.084 0.000 1.068 857 M CA 1.582 56.812 55.300 -0.116 0.000 1.109 857 M CB -0.340 32.153 32.600 -0.177 0.000 1.342 857 M HN 0.248 nan 8.290 nan 0.000 0.405 858 N N 0.439 119.080 118.700 -0.099 0.000 2.322 858 N HA -0.006 4.739 4.740 0.009 0.000 0.216 858 N C -0.642 174.847 175.510 -0.034 0.000 1.144 858 N CA 0.376 53.395 53.050 -0.053 0.000 0.830 858 N CB -0.168 38.293 38.487 -0.044 0.000 1.034 858 N HN 0.200 nan 8.380 nan 0.000 0.484 859 D N 0.906 121.277 120.400 -0.047 0.000 2.772 859 D HA -0.169 4.476 4.640 0.009 0.000 0.233 859 D C -0.528 175.750 176.300 -0.036 0.000 1.143 859 D CA 1.093 55.074 54.000 -0.033 0.000 0.700 859 D CB -0.826 39.969 40.800 -0.008 0.000 1.076 859 D HN 0.516 nan 8.370 nan 0.000 0.430 860 E N 0.135 120.310 120.200 -0.042 0.000 2.221 860 E HA 0.322 4.677 4.350 0.009 0.000 0.268 860 E C 0.198 176.730 176.600 -0.114 0.000 0.933 860 E CA -0.795 55.573 56.400 -0.053 0.000 0.809 860 E CB 1.736 31.451 29.700 0.024 0.000 1.190 860 E HN 0.150 nan 8.360 nan 0.000 0.406 861 E N 2.563 122.671 120.200 -0.153 0.000 2.414 861 E HA 0.008 4.364 4.350 0.009 0.000 0.263 861 E C -0.665 175.776 176.600 -0.264 0.000 1.000 861 E CA -0.208 56.092 56.400 -0.166 0.000 0.914 861 E CB 0.545 30.162 29.700 -0.138 0.000 0.948 861 E HN 0.344 nan 8.360 nan 0.000 0.444 862 L N 3.850 124.964 121.223 -0.182 0.000 2.439 862 L HA 0.132 4.477 4.340 0.009 0.000 0.269 862 L C 0.476 177.240 176.870 -0.177 0.000 1.179 862 L CA 0.110 54.847 54.840 -0.172 0.000 0.828 862 L CB 0.608 42.601 42.059 -0.111 0.000 1.106 862 L HN 0.626 nan 8.230 nan 0.000 0.467 863 E N 1.842 121.952 120.200 -0.150 0.000 2.231 863 E HA 0.198 4.553 4.350 0.009 0.000 0.277 863 E C -0.773 175.765 176.600 -0.103 0.000 0.999 863 E CA -0.645 55.689 56.400 -0.110 0.000 0.827 863 E CB 1.475 31.135 29.700 -0.067 0.000 1.101 863 E HN 0.429 nan 8.360 nan 0.000 0.393 864 Q N 2.698 122.437 119.800 -0.102 0.000 2.332 864 Q HA 0.168 4.514 4.340 0.009 0.000 0.263 864 Q C -0.801 175.028 176.000 -0.285 0.000 0.979 864 Q CA 0.150 55.865 55.803 -0.146 0.000 0.885 864 Q CB 0.662 29.350 28.738 -0.084 0.000 1.218 864 Q HN 0.453 nan 8.270 nan 0.000 0.405 865 M N 3.185 122.621 119.600 -0.274 0.000 2.423 865 M HA 0.385 4.870 4.480 0.009 0.000 0.335 865 M C -0.809 175.399 176.300 -0.153 0.000 1.177 865 M CA -0.693 54.467 55.300 -0.235 0.000 1.038 865 M CB 1.459 33.946 32.600 -0.188 0.000 1.641 865 M HN 0.567 nan 8.290 nan 0.000 0.455 866 H N 0.360 119.619 119.070 0.315 0.000 2.569 866 H HA 0.434 4.995 4.556 0.009 0.000 0.357 866 H C -2.487 172.834 175.328 -0.013 0.000 1.153 866 H CA -2.231 53.918 56.048 0.169 0.000 1.193 866 H CB 0.930 30.806 29.762 0.191 0.000 1.602 866 H HN 0.293 nan 8.280 nan 0.000 0.523 867 P HA -0.121 nan 4.420 nan 0.000 0.263 867 P C -0.590 176.562 177.300 -0.248 0.000 1.175 867 P CA 0.534 63.192 63.100 -0.737 0.000 0.761 867 P CB 0.467 31.781 31.700 -0.643 0.000 0.794 868 W N 5.365 126.317 121.300 -0.580 0.000 2.998 868 W HA 0.586 5.251 4.660 0.009 0.000 0.335 868 W C -1.971 174.279 176.519 -0.449 0.000 1.110 868 W CA -0.521 56.681 57.345 -0.239 0.000 1.230 868 W CB 1.111 30.549 29.460 -0.037 0.000 1.405 868 W HN 0.165 nan 8.180 nan 0.000 0.493 869 F N 5.153 124.670 119.950 -0.720 0.000 2.482 869 F HA 0.456 4.988 4.527 0.009 0.000 0.331 869 F C 0.744 175.912 175.800 -1.054 0.000 1.115 869 F CA -1.114 56.484 58.000 -0.670 0.000 0.955 869 F CB 1.523 40.272 39.000 -0.419 0.000 1.136 869 F HN 0.163 nan 8.300 nan 0.000 0.452 870 R N 1.596 121.735 120.500 -0.601 0.000 2.484 870 R HA 0.284 4.629 4.340 0.009 0.000 0.293 870 R C 1.144 177.399 176.300 -0.076 0.000 1.023 870 R CA 1.263 57.138 56.100 -0.374 0.000 1.037 870 R CB 0.032 30.385 30.300 0.088 0.000 0.951 870 R HN 1.028 nan 8.270 nan 0.000 0.418 871 G N 3.772 112.561 108.800 -0.018 0.000 2.189 871 G HA2 -0.298 3.668 3.960 0.009 0.000 0.267 871 G HA3 -0.298 3.668 3.960 0.009 0.000 0.267 871 G C -0.260 174.714 174.900 0.124 0.000 0.975 871 G CA 0.469 45.613 45.100 0.073 0.000 0.644 871 G HN 0.734 nan 8.290 nan 0.000 0.537 872 W N 1.635 122.873 121.300 -0.104 0.000 2.261 872 W HA 0.559 5.225 4.660 0.009 0.000 0.323 872 W C 1.364 177.864 176.519 -0.031 0.000 1.243 872 W CA 0.499 57.800 57.345 -0.072 0.000 1.210 872 W CB 1.134 30.530 29.460 -0.106 0.000 1.149 872 W HN 0.389 nan 8.180 nan 0.000 0.562 873 T N 1.812 115.936 114.554 -0.716 0.000 3.200 873 T HA 0.394 4.749 4.350 0.009 0.000 0.284 873 T C 0.504 174.677 174.700 -0.879 0.000 1.009 873 T CA 0.014 61.767 62.100 -0.578 0.000 0.907 873 T CB -0.354 68.351 68.868 -0.272 0.000 1.120 873 T HN 0.462 nan 8.240 nan 0.000 0.534 874 G N 0.589 108.208 108.800 -1.969 0.000 2.510 874 G HA2 0.521 4.487 3.960 0.009 0.000 0.280 874 G HA3 0.521 4.487 3.960 0.009 0.000 0.280 874 G C -0.774 173.579 174.900 -0.912 0.000 1.386 874 G CA -0.414 43.792 45.100 -1.490 0.000 1.047 874 G HN 0.380 nan 8.290 nan 0.000 0.527 875 T N -1.021 113.385 114.554 -0.247 0.000 2.887 875 T HA 0.630 4.985 4.350 0.009 0.000 0.288 875 T C -0.831 174.089 174.700 0.366 0.000 1.021 875 T CA -0.598 61.545 62.100 0.070 0.000 1.000 875 T CB 0.833 69.724 68.868 0.039 0.000 1.034 875 T HN 0.291 nan 8.240 nan 0.000 0.467 876 I N 3.924 124.704 120.570 0.350 0.000 2.466 876 I HA 0.434 4.610 4.170 0.009 0.000 0.289 876 I C -0.302 175.990 176.117 0.290 0.000 1.026 876 I CA -0.880 60.638 61.300 0.364 0.000 1.078 876 I CB 2.084 40.297 38.000 0.355 0.000 1.249 876 I HN 0.731 nan 8.210 nan 0.000 0.429 877 E N 5.363 125.748 120.200 0.309 0.000 2.256 877 E HA 0.433 4.788 4.350 0.009 0.000 0.267 877 E C -1.092 175.622 176.600 0.191 0.000 0.892 877 E CA -0.900 55.627 56.400 0.212 0.000 0.775 877 E CB 2.481 32.290 29.700 0.182 0.000 1.207 877 E HN 0.532 nan 8.360 nan 0.000 0.420 878 E N 3.731 123.938 120.200 0.011 0.000 2.167 878 E HA 0.161 4.516 4.350 0.009 0.000 0.284 878 E C -0.015 176.483 176.600 -0.170 0.000 1.016 878 E CA -0.319 55.902 56.400 -0.299 0.000 0.817 878 E CB 0.794 30.259 29.700 -0.390 0.000 1.080 878 E HN 0.693 nan 8.360 nan 0.000 0.397 879 I N 3.120 123.588 120.570 -0.171 0.000 2.405 879 I HA -0.006 4.169 4.170 0.009 0.000 0.236 879 I C 0.579 176.642 176.117 -0.089 0.000 1.071 879 I CA 0.540 61.792 61.300 -0.080 0.000 1.398 879 I CB 0.001 37.976 38.000 -0.041 0.000 1.162 879 I HN 0.504 nan 8.210 nan 0.000 0.432 880 E N 0.606 120.741 120.200 -0.108 0.000 2.281 880 E HA 0.357 4.712 4.350 0.009 0.000 0.262 880 E C -2.498 174.037 176.600 -0.108 0.000 0.933 880 E CA -2.337 54.018 56.400 -0.075 0.000 0.809 880 E CB 0.776 30.456 29.700 -0.034 0.000 1.242 880 E HN -0.072 nan 8.360 nan 0.000 0.418 881 P HA -0.003 nan 4.420 nan 0.000 0.263 881 P C -0.130 177.178 177.300 0.014 0.000 1.195 881 P CA 0.742 63.832 63.100 -0.016 0.000 0.762 881 P CB 0.204 31.916 31.700 0.019 0.000 0.799 882 L N 0.050 121.309 121.223 0.061 0.000 4.793 882 L HA -0.242 4.104 4.340 0.009 0.000 0.404 882 L C 0.336 177.296 176.870 0.150 0.000 1.022 882 L CA 0.720 55.655 54.840 0.159 0.000 1.242 882 L CB -1.289 40.850 42.059 0.132 0.000 2.049 882 L HN 0.515 nan 8.230 nan 0.000 0.637 883 R N -0.658 119.834 120.500 -0.013 0.000 2.574 883 R HA 0.707 5.053 4.340 0.009 0.000 0.288 883 R C -1.425 174.762 176.300 -0.187 0.000 1.004 883 R CA -0.500 55.604 56.100 0.008 0.000 0.895 883 R CB 1.900 32.197 30.300 -0.005 0.000 1.191 883 R HN -0.039 nan 8.270 nan 0.000 0.444 884 Y N 0.589 120.935 120.300 0.076 0.000 2.576 884 Y HA 0.517 5.072 4.550 0.009 0.000 0.346 884 Y C 0.123 176.035 175.900 0.020 0.000 1.018 884 Y CA -0.971 57.170 58.100 0.069 0.000 1.050 884 Y CB 1.967 40.487 38.460 0.100 0.000 1.280 884 Y HN 0.195 nan 8.280 nan 0.000 0.474 885 R N 1.827 122.427 120.500 0.167 0.000 2.589 885 R HA 0.622 4.967 4.340 0.009 0.000 0.293 885 R C -1.265 175.021 176.300 -0.023 0.000 0.963 885 R CA -1.003 55.084 56.100 -0.022 0.000 0.905 885 R CB 2.066 32.292 30.300 -0.122 0.000 1.144 885 R HN 0.764 nan 8.270 nan 0.000 0.459 886 M N 3.249 122.742 119.600 -0.178 0.000 2.134 886 M HA 0.348 4.833 4.480 0.009 0.000 0.310 886 M C -1.806 174.432 176.300 -0.102 0.000 0.966 886 M CA -0.575 54.714 55.300 -0.019 0.000 0.922 886 M CB 1.037 33.596 32.600 -0.068 0.000 1.537 886 M HN 0.490 nan 8.290 nan 0.000 0.424 887 Y N 2.720 123.151 120.300 0.217 0.000 2.387 887 Y HA 0.690 5.246 4.550 0.009 0.000 0.336 887 Y C 0.869 176.918 175.900 0.249 0.000 1.067 887 Y CA -0.236 57.948 58.100 0.139 0.000 1.114 887 Y CB 1.729 40.139 38.460 -0.082 0.000 1.208 887 Y HN 0.791 nan 8.280 nan 0.000 0.458 888 G N 1.680 110.748 108.800 0.446 0.000 2.735 888 G HA2 0.434 4.400 3.960 0.009 0.000 0.192 888 G HA3 0.434 4.400 3.960 0.009 0.000 0.192 888 G C -0.980 174.151 174.900 0.385 0.000 1.547 888 G CA -0.646 44.680 45.100 0.376 0.000 1.080 888 G HN 0.523 nan 8.290 nan 0.000 0.569 889 R N -0.818 119.868 120.500 0.310 0.000 2.510 889 R HA 0.473 4.818 4.340 0.009 0.000 0.287 889 R C -1.909 174.438 176.300 0.079 0.000 1.084 889 R CA -0.532 55.723 56.100 0.259 0.000 0.934 889 R CB 1.542 31.903 30.300 0.102 0.000 1.201 889 R HN 0.432 nan 8.270 nan 0.000 0.431 890 I N 2.803 123.317 120.570 -0.093 0.000 2.466 890 I HA 0.400 4.575 4.170 0.009 0.000 0.289 890 I C -1.123 174.859 176.117 -0.224 0.000 1.026 890 I CA -0.409 60.732 61.300 -0.266 0.000 1.078 890 I CB 1.719 39.424 38.000 -0.492 0.000 1.249 890 I HN 0.684 nan 8.210 nan 0.000 0.429 891 E N 6.578 126.668 120.200 -0.183 0.000 2.266 891 E HA 0.257 4.613 4.350 0.009 0.000 0.268 891 E C -1.455 175.029 176.600 -0.193 0.000 0.879 891 E CA -0.768 55.534 56.400 -0.163 0.000 0.762 891 E CB 2.018 31.663 29.700 -0.092 0.000 1.199 891 E HN 0.648 nan 8.360 nan 0.000 0.422 892 Q N 4.547 124.221 119.800 -0.209 0.000 2.337 892 Q HA 0.215 4.561 4.340 0.009 0.000 0.255 892 Q C 0.637 176.573 176.000 -0.107 0.000 0.997 892 Q CA -0.068 55.628 55.803 -0.179 0.000 0.925 892 Q CB 0.458 29.072 28.738 -0.206 0.000 1.212 892 Q HN 0.689 nan 8.270 nan 0.000 0.436 893 I N 0.405 120.925 120.570 -0.084 0.000 4.018 893 I HA 0.552 4.728 4.170 0.009 0.000 0.337 893 I C 0.467 176.558 176.117 -0.044 0.000 1.327 893 I CA -0.247 61.017 61.300 -0.060 0.000 1.100 893 I CB 0.695 38.661 38.000 -0.057 0.000 1.025 893 I HN 0.500 nan 8.210 nan 0.000 0.396 894 G N 0.279 109.055 108.800 -0.040 0.000 2.489 894 G HA2 0.150 4.116 3.960 0.009 0.000 0.291 894 G HA3 0.150 4.116 3.960 0.009 0.000 0.291 894 G C -1.909 172.984 174.900 -0.012 0.000 1.487 894 G CA -0.671 44.416 45.100 -0.023 0.000 0.795 894 G HN -0.048 nan 8.290 nan 0.000 0.513 895 D N 1.399 121.799 120.400 -0.001 0.000 2.402 895 D HA 0.176 4.821 4.640 0.009 0.000 0.268 895 D C 0.698 177.012 176.300 0.024 0.000 1.294 895 D CA 0.834 54.842 54.000 0.013 0.000 0.945 895 D CB 0.264 41.072 40.800 0.014 0.000 1.112 895 D HN 0.425 nan 8.370 nan 0.000 0.517 896 N N 1.041 119.766 118.700 0.042 0.000 2.901 896 N HA -0.163 4.583 4.740 0.009 0.000 0.248 896 N C -1.023 174.517 175.510 0.051 0.000 1.044 896 N CA 0.442 53.530 53.050 0.063 0.000 0.847 896 N CB -1.021 37.499 38.487 0.055 0.000 1.127 896 N HN 0.190 nan 8.380 nan 0.000 0.562 897 V N 1.437 121.364 119.914 0.021 0.000 2.443 897 V HA 0.521 4.647 4.120 0.009 0.000 0.293 897 V C 0.400 176.472 176.094 -0.036 0.000 1.021 897 V CA -0.633 61.666 62.300 -0.002 0.000 0.848 897 V CB 2.163 33.977 31.823 -0.015 0.000 0.998 897 V HN 0.073 nan 8.190 nan 0.000 0.424 898 L N 3.571 124.764 121.223 -0.051 0.000 2.334 898 L HA 0.730 5.075 4.340 0.009 0.000 0.270 898 L C -0.086 176.704 176.870 -0.133 0.000 1.018 898 L CA -0.486 54.280 54.840 -0.123 0.000 0.811 898 L CB 1.973 43.936 42.059 -0.160 0.000 1.271 898 L HN 0.649 nan 8.230 nan 0.000 0.443 899 E N 1.986 122.097 120.200 -0.149 0.000 2.260 899 E HA 0.418 4.774 4.350 0.009 0.000 0.266 899 E C -1.546 174.997 176.600 -0.095 0.000 0.887 899 E CA -0.538 55.801 56.400 -0.100 0.000 0.777 899 E CB 1.780 31.434 29.700 -0.076 0.000 1.205 899 E HN 0.468 nan 8.360 nan 0.000 0.414 900 I N 4.358 124.912 120.570 -0.027 0.000 2.304 900 I HA 0.164 4.339 4.170 0.009 0.000 0.291 900 I C 1.118 177.295 176.117 0.099 0.000 1.018 900 I CA -0.215 61.108 61.300 0.038 0.000 1.260 900 I CB 1.440 39.511 38.000 0.118 0.000 1.390 900 I HN 0.615 nan 8.210 nan 0.000 0.475 901 T N 0.460 115.051 114.554 0.062 0.000 3.044 901 T HA 0.268 4.623 4.350 0.009 0.000 0.260 901 T C 0.207 174.951 174.700 0.074 0.000 1.019 901 T CA -0.167 61.963 62.100 0.050 0.000 0.921 901 T CB 0.209 69.081 68.868 0.007 0.000 1.053 901 T HN 0.532 nan 8.240 nan 0.000 0.533 902 E N 0.170 120.440 120.200 0.116 0.000 2.378 902 E HA 0.596 4.951 4.350 0.009 0.000 0.283 902 E C -1.910 174.818 176.600 0.213 0.000 0.979 902 E CA -0.703 55.777 56.400 0.135 0.000 0.795 902 E CB 1.139 30.852 29.700 0.021 0.000 1.221 902 E HN 0.284 nan 8.360 nan 0.000 0.428 903 L N 3.487 124.870 121.223 0.265 0.000 2.319 903 L HA 0.705 5.050 4.340 0.009 0.000 0.267 903 L C -2.107 174.953 176.870 0.316 0.000 1.011 903 L CA -2.649 52.336 54.840 0.241 0.000 0.818 903 L CB 1.771 43.926 42.059 0.160 0.000 1.316 903 L HN 0.452 nan 8.230 nan 0.000 0.432 904 P HA 0.019 nan 4.420 nan 0.000 0.265 904 P C -0.542 176.525 177.300 -0.388 0.000 1.193 904 P CA -0.145 62.961 63.100 0.011 0.000 0.765 904 P CB 0.531 32.173 31.700 -0.098 0.000 0.823 905 A N 4.139 126.333 122.820 -1.044 0.000 2.587 905 A HA 0.010 4.336 4.320 0.009 0.000 0.233 905 A C 0.958 177.972 177.584 -0.950 0.000 1.049 905 A CA 0.425 51.633 52.037 -1.381 0.000 0.754 905 A CB -0.724 16.670 19.000 -2.677 0.000 0.977 905 A HN 0.612 nan 8.150 nan 0.000 0.509 906 R N -1.204 118.766 120.500 -0.883 0.000 3.989 906 R HA -0.123 4.222 4.340 0.009 0.000 0.377 906 R C -0.100 175.334 176.300 -1.443 0.000 1.158 906 R CA 1.610 57.020 56.100 -1.150 0.000 1.035 906 R CB -2.691 27.265 30.300 -0.574 0.000 1.557 906 R HN 0.781 nan 8.270 nan 0.000 0.551 907 T N 0.270 114.221 114.554 -1.006 0.000 2.801 907 T HA 0.386 4.741 4.350 0.009 0.000 0.306 907 T C -0.127 174.292 174.700 -0.468 0.000 1.020 907 T CA -0.455 61.229 62.100 -0.693 0.000 0.948 907 T CB 0.168 68.841 68.868 -0.324 0.000 0.962 907 T HN 0.207 nan 8.240 nan 0.000 0.465 908 W N 2.037 123.332 121.300 -0.008 0.000 2.202 908 W HA 0.220 4.885 4.660 0.009 0.000 0.332 908 W C 1.653 178.186 176.519 0.022 0.000 1.263 908 W CA -0.995 56.343 57.345 -0.013 0.000 1.223 908 W CB 0.063 29.499 29.460 -0.040 0.000 1.128 908 W HN 0.520 nan 8.180 nan 0.000 0.573 909 T N 0.345 115.064 114.554 0.275 0.000 2.699 909 T HA -0.299 4.056 4.350 0.009 0.000 0.268 909 T C 2.001 176.842 174.700 0.236 0.000 1.036 909 T CA 2.114 64.355 62.100 0.235 0.000 1.147 909 T CB -0.595 68.312 68.868 0.066 0.000 0.862 909 T HN 0.606 nan 8.240 nan 0.000 0.446 910 S N 1.240 117.050 115.700 0.184 0.000 2.419 910 S HA -0.147 4.329 4.470 0.009 0.000 0.233 910 S C 2.088 176.776 174.600 0.147 0.000 1.016 910 S CA 1.477 59.767 58.200 0.149 0.000 0.974 910 S CB -1.074 62.185 63.200 0.099 0.000 0.786 910 S HN 0.483 nan 8.310 nan 0.000 0.492 911 T N 2.910 117.561 114.554 0.162 0.000 2.737 911 T HA 0.103 4.458 4.350 0.009 0.000 0.265 911 T C 1.700 176.461 174.700 0.102 0.000 1.038 911 T CA 1.260 63.434 62.100 0.123 0.000 1.144 911 T CB -0.288 68.636 68.868 0.094 0.000 0.866 911 T HN 0.307 nan 8.240 nan 0.000 0.434 912 I N 1.363 121.975 120.570 0.070 0.000 2.439 912 I HA -0.030 4.145 4.170 0.009 0.000 0.251 912 I C 2.348 178.452 176.117 -0.022 0.000 1.139 912 I CA 1.154 62.457 61.300 0.005 0.000 1.438 912 I CB -1.003 36.918 38.000 -0.131 0.000 1.085 912 I HN 0.272 nan 8.210 nan 0.000 0.427 913 K N 1.529 121.950 120.400 0.036 0.000 2.026 913 K HA -0.203 4.122 4.320 0.009 0.000 0.208 913 K C 1.940 178.589 176.600 0.081 0.000 1.048 913 K CA 1.684 58.025 56.287 0.090 0.000 0.929 913 K CB 0.041 32.670 32.500 0.216 0.000 0.713 913 K HN 0.325 nan 8.250 nan 0.000 0.439 914 E N -0.686 119.577 120.200 0.104 0.000 2.110 914 E HA -0.230 4.125 4.350 0.009 0.000 0.193 914 E C 1.916 178.581 176.600 0.108 0.000 0.988 914 E CA 1.351 57.808 56.400 0.095 0.000 0.804 914 E CB -0.231 29.531 29.700 0.103 0.000 0.745 914 E HN 0.421 nan 8.360 nan 0.000 0.458 915 Y N 1.528 121.842 120.300 0.024 0.000 2.181 915 Y HA -0.200 4.355 4.550 0.009 0.000 0.288 915 Y C 1.962 177.880 175.900 0.029 0.000 1.146 915 Y CA 1.332 59.462 58.100 0.048 0.000 1.164 915 Y CB -0.020 38.479 38.460 0.066 0.000 0.982 915 Y HN -0.068 nan 8.280 nan 0.000 0.515 916 L N -0.382 120.833 121.223 -0.013 0.000 2.017 916 L HA -0.246 4.099 4.340 0.009 0.000 0.208 916 L C 2.419 179.165 176.870 -0.207 0.000 1.073 916 L CA 1.247 55.983 54.840 -0.173 0.000 0.745 916 L CB -0.767 41.221 42.059 -0.119 0.000 0.894 916 L HN 0.287 nan 8.230 nan 0.000 0.432 917 L N -0.471 120.695 121.223 -0.095 0.000 2.187 917 L HA -0.248 4.097 4.340 0.009 0.000 0.213 917 L C 2.552 179.361 176.870 -0.101 0.000 1.100 917 L CA 0.709 55.505 54.840 -0.073 0.000 0.765 917 L CB -0.382 41.670 42.059 -0.011 0.000 0.904 917 L HN 0.283 nan 8.230 nan 0.000 0.437 918 L N -0.027 121.123 121.223 -0.121 0.000 2.056 918 L HA -0.031 4.314 4.340 0.009 0.000 0.207 918 L C 2.341 179.120 176.870 -0.153 0.000 1.078 918 L CA 2.066 56.842 54.840 -0.106 0.000 0.749 918 L CB -0.982 41.027 42.059 -0.084 0.000 0.901 918 L HN 0.097 nan 8.230 nan 0.000 0.433 919 G N -0.897 107.710 108.800 -0.320 0.000 2.484 919 G HA2 -0.197 3.769 3.960 0.009 0.000 0.218 919 G HA3 -0.197 3.769 3.960 0.009 0.000 0.218 919 G C 1.502 176.136 174.900 -0.444 0.000 1.130 919 G CA 0.773 45.555 45.100 -0.530 0.000 0.784 919 G HN 0.380 nan 8.290 nan 0.000 0.543 920 L N 0.730 121.760 121.223 -0.322 0.000 2.044 920 L HA 0.189 4.534 4.340 0.009 0.000 0.205 920 L C 2.385 179.182 176.870 -0.121 0.000 1.075 920 L CA 2.082 56.796 54.840 -0.211 0.000 0.747 920 L CB -0.282 41.683 42.059 -0.156 0.000 0.903 920 L HN 0.086 nan 8.230 nan 0.000 0.435 921 S N -0.295 115.350 115.700 -0.092 0.000 2.556 921 S HA 0.501 4.977 4.470 0.009 0.000 0.216 921 S C 0.791 175.371 174.600 -0.033 0.000 0.970 921 S CA 0.310 58.480 58.200 -0.050 0.000 0.912 921 S CB -0.280 62.899 63.200 -0.035 0.000 0.790 921 S HN 0.857 nan 8.310 nan 0.000 0.504 922 G N 1.909 110.687 108.800 -0.038 0.000 2.693 922 G HA2 -0.158 3.808 3.960 0.009 0.000 0.226 922 G HA3 -0.158 3.808 3.960 0.009 0.000 0.226 922 G C -0.697 174.206 174.900 0.005 0.000 1.354 922 G CA -0.185 44.915 45.100 -0.001 0.000 0.873 922 G HN 0.512 nan 8.290 nan 0.000 0.562 923 N N -1.585 117.125 118.700 0.017 0.000 2.927 923 N HA 0.430 5.176 4.740 0.009 0.000 0.248 923 N C 0.681 176.201 175.510 0.015 0.000 1.443 923 N CA 0.421 53.480 53.050 0.016 0.000 0.870 923 N CB 1.535 40.035 38.487 0.022 0.000 1.444 923 N HN 0.637 nan 8.380 nan 0.000 0.519 924 D N 0.493 120.901 120.400 0.014 0.000 2.133 924 D HA -0.129 4.516 4.640 0.009 0.000 0.195 924 D C 0.719 177.026 176.300 0.011 0.000 0.997 924 D CA 1.991 55.998 54.000 0.011 0.000 0.840 924 D CB 0.348 41.155 40.800 0.011 0.000 0.947 924 D HN 0.561 nan 8.370 nan 0.000 0.452 925 K N -0.993 119.415 120.400 0.013 0.000 2.276 925 K HA 0.226 4.551 4.320 0.009 0.000 0.198 925 K C 0.428 177.033 176.600 0.009 0.000 1.052 925 K CA 0.238 56.531 56.287 0.009 0.000 0.984 925 K CB 1.060 33.565 32.500 0.009 0.000 0.836 925 K HN 0.205 nan 8.250 nan 0.000 0.490 926 I N 2.753 123.333 120.570 0.017 0.000 2.474 926 I HA 0.135 4.310 4.170 0.009 0.000 0.294 926 I C -0.378 175.763 176.117 0.041 0.000 1.005 926 I CA -1.179 60.135 61.300 0.022 0.000 1.113 926 I CB 1.836 39.854 38.000 0.030 0.000 1.289 926 I HN 0.005 nan 8.210 nan 0.000 0.436 927 K N 5.999 126.425 120.400 0.045 0.000 2.237 927 K HA 0.429 4.755 4.320 0.009 0.000 0.270 927 K C -2.572 174.102 176.600 0.123 0.000 1.015 927 K CA -1.524 54.798 56.287 0.060 0.000 0.949 927 K CB 0.124 32.651 32.500 0.044 0.000 0.976 927 K HN 0.194 nan 8.250 nan 0.000 0.472 928 P HA -0.098 nan 4.420 nan 0.000 0.264 928 P C -0.265 177.128 177.300 0.155 0.000 1.193 928 P CA -0.086 63.058 63.100 0.073 0.000 0.763 928 P CB 0.101 31.801 31.700 0.000 0.000 0.810 929 W N 3.404 124.665 121.300 -0.066 0.000 2.862 929 W HA 0.419 5.084 4.660 0.009 0.000 0.376 929 W C -0.854 175.650 176.519 -0.024 0.000 1.028 929 W CA -0.377 56.935 57.345 -0.055 0.000 1.757 929 W CB -0.405 29.003 29.460 -0.087 0.000 1.128 929 W HN 0.039 nan 8.180 nan 0.000 0.566 930 I N 2.238 122.593 120.570 -0.358 0.000 2.436 930 I HA 0.205 4.380 4.170 0.009 0.000 0.289 930 I C 1.309 177.330 176.117 -0.160 0.000 1.010 930 I CA -0.426 60.674 61.300 -0.334 0.000 1.098 930 I CB 2.755 40.421 38.000 -0.556 0.000 1.266 930 I HN -0.258 nan 8.210 nan 0.000 0.434 931 K N 2.826 123.178 120.400 -0.079 0.000 2.076 931 K HA -0.020 4.305 4.320 0.009 0.000 0.204 931 K C -0.021 176.548 176.600 -0.051 0.000 1.051 931 K CA 1.311 57.572 56.287 -0.044 0.000 0.949 931 K CB 0.360 32.852 32.500 -0.012 0.000 0.726 931 K HN 0.665 nan 8.250 nan 0.000 0.443 932 D N -1.086 119.281 120.400 -0.055 0.000 2.654 932 D HA 0.253 4.898 4.640 0.009 0.000 0.231 932 D C -1.796 174.476 176.300 -0.046 0.000 1.239 932 D CA -0.534 53.438 54.000 -0.046 0.000 0.790 932 D CB 1.385 42.169 40.800 -0.027 0.000 1.480 932 D HN -0.052 nan 8.370 nan 0.000 0.442 933 M N 1.679 121.259 119.600 -0.032 0.000 2.531 933 M HA 0.456 4.941 4.480 0.009 0.000 0.286 933 M C -1.614 174.696 176.300 0.016 0.000 1.232 933 M CA -0.330 54.967 55.300 -0.006 0.000 0.877 933 M CB 2.233 34.828 32.600 -0.008 0.000 1.726 933 M HN 0.536 nan 8.290 nan 0.000 0.463 934 E N 1.305 121.525 120.200 0.034 0.000 2.393 934 E HA 0.444 4.800 4.350 0.009 0.000 0.273 934 E C -1.522 175.071 176.600 -0.012 0.000 0.918 934 E CA -0.713 55.689 56.400 0.004 0.000 0.773 934 E CB 2.816 32.494 29.700 -0.036 0.000 1.275 934 E HN 0.572 nan 8.360 nan 0.000 0.451 935 E N 1.336 121.477 120.200 -0.098 0.000 2.199 935 E HA 0.247 4.603 4.350 0.009 0.000 0.265 935 E C -0.774 175.591 176.600 -0.391 0.000 0.882 935 E CA -0.202 55.986 56.400 -0.354 0.000 0.759 935 E CB 1.739 31.339 29.700 -0.166 0.000 1.148 935 E HN 0.292 nan 8.360 nan 0.000 0.412 936 Q N 1.864 121.306 119.800 -0.596 0.000 2.144 936 Q HA 0.131 4.476 4.340 0.009 0.000 0.305 936 Q C -0.718 175.078 176.000 -0.340 0.000 0.876 936 Q CA -0.335 55.259 55.803 -0.348 0.000 1.130 936 Q CB 0.668 29.271 28.738 -0.225 0.000 1.267 936 Q HN 0.498 nan 8.270 nan 0.000 0.433 937 H N 0.776 119.736 119.070 -0.184 0.000 2.964 937 H HA 0.003 4.564 4.556 0.009 0.000 0.328 937 H C -0.188 175.085 175.328 -0.093 0.000 1.030 937 H CA 0.575 56.526 56.048 -0.161 0.000 1.445 937 H CB 0.956 30.609 29.762 -0.182 0.000 1.449 937 H HN 0.267 nan 8.280 nan 0.000 0.581 938 D N 1.292 121.715 120.400 0.038 0.000 2.855 938 D HA -0.012 4.633 4.640 0.009 0.000 0.257 938 D C 0.623 176.937 176.300 0.024 0.000 1.542 938 D CA 0.211 54.222 54.000 0.018 0.000 1.164 938 D CB 0.204 41.002 40.800 -0.003 0.000 1.004 938 D HN 0.478 nan 8.370 nan 0.000 0.293 939 D N -0.076 120.337 120.400 0.021 0.000 2.440 939 D HA 0.161 4.806 4.640 0.009 0.000 0.216 939 D C -0.522 175.800 176.300 0.037 0.000 1.150 939 D CA -0.013 54.002 54.000 0.026 0.000 0.832 939 D CB 0.361 41.172 40.800 0.018 0.000 0.992 939 D HN 0.248 nan 8.370 nan 0.000 0.502 940 N N -0.880 117.844 118.700 0.041 0.000 2.972 940 N HA 0.334 5.080 4.740 0.009 0.000 0.262 940 N C -0.949 174.609 175.510 0.080 0.000 1.478 940 N CA -0.674 52.406 53.050 0.051 0.000 0.841 940 N CB 0.957 39.462 38.487 0.030 0.000 1.512 940 N HN -0.239 nan 8.380 nan 0.000 0.548 941 I N -0.471 120.158 120.570 0.097 0.000 2.385 941 I HA 0.354 4.530 4.170 0.009 0.000 0.294 941 I C -0.091 176.072 176.117 0.077 0.000 0.988 941 I CA -0.500 60.905 61.300 0.174 0.000 1.265 941 I CB 1.241 39.343 38.000 0.170 0.000 1.388 941 I HN 0.497 nan 8.210 nan 0.000 0.480 942 K N 6.230 126.574 120.400 -0.092 0.000 2.790 942 K HA 0.378 4.703 4.320 0.009 0.000 0.253 942 K C -1.761 174.518 176.600 -0.536 0.000 1.082 942 K CA -0.358 55.763 56.287 -0.278 0.000 1.067 942 K CB 0.771 33.120 32.500 -0.253 0.000 1.284 942 K HN 0.293 nan 8.250 nan 0.000 0.529 943 F N 4.483 124.371 119.950 -0.104 0.000 2.388 943 F HA 0.409 4.941 4.527 0.009 0.000 0.358 943 F C 0.310 176.033 175.800 -0.128 0.000 1.122 943 F CA -0.942 56.991 58.000 -0.113 0.000 1.056 943 F CB 0.921 39.901 39.000 -0.033 0.000 1.155 943 F HN 0.188 nan 8.300 nan 0.000 0.461 944 I N 6.076 126.662 120.570 0.027 0.000 2.287 944 I HA 0.287 4.462 4.170 0.009 0.000 0.290 944 I C 0.023 176.135 176.117 -0.008 0.000 1.069 944 I CA -0.384 60.904 61.300 -0.018 0.000 1.237 944 I CB 0.080 38.050 38.000 -0.048 0.000 1.418 944 I HN 0.446 nan 8.210 nan 0.000 0.481 945 I N 5.372 125.920 120.570 -0.037 0.000 2.460 945 I HA 0.372 4.548 4.170 0.009 0.000 0.298 945 I C 0.230 176.335 176.117 -0.020 0.000 0.989 945 I CA -0.378 60.897 61.300 -0.042 0.000 1.173 945 I CB 2.009 39.950 38.000 -0.098 0.000 1.338 945 I HN 0.391 nan 8.210 nan 0.000 0.456 946 T N 6.805 121.353 114.554 -0.010 0.000 2.792 946 T HA 0.634 4.989 4.350 0.009 0.000 0.280 946 T C -0.365 174.352 174.700 0.028 0.000 0.990 946 T CA -0.488 61.617 62.100 0.009 0.000 0.960 946 T CB 1.133 70.000 68.868 -0.003 0.000 0.939 946 T HN 0.273 nan 8.240 nan 0.000 0.439 947 L N 2.501 123.766 121.223 0.069 0.000 2.362 947 L HA 0.564 4.910 4.340 0.009 0.000 0.271 947 L C 0.750 177.669 176.870 0.082 0.000 1.002 947 L CA -1.142 53.757 54.840 0.098 0.000 0.818 947 L CB 2.110 44.282 42.059 0.189 0.000 1.298 947 L HN 0.716 nan 8.230 nan 0.000 0.420 948 S N 0.952 116.696 115.700 0.073 0.000 2.572 948 S HA 0.178 4.653 4.470 0.009 0.000 0.279 948 S C -1.964 172.680 174.600 0.074 0.000 1.341 948 S CA -0.944 57.292 58.200 0.061 0.000 1.043 948 S CB 0.755 63.986 63.200 0.051 0.000 0.887 948 S HN 0.441 nan 8.310 nan 0.000 0.516 949 P HA -0.120 nan 4.420 nan 0.000 0.220 949 P C 0.865 178.202 177.300 0.062 0.000 1.144 949 P CA 1.257 64.394 63.100 0.062 0.000 0.800 949 P CB 0.008 31.736 31.700 0.046 0.000 0.772 950 E N -0.645 119.589 120.200 0.056 0.000 2.072 950 E HA -0.145 4.210 4.350 0.009 0.000 0.190 950 E C 1.990 178.625 176.600 0.057 0.000 0.982 950 E CA 0.940 57.369 56.400 0.048 0.000 0.803 950 E CB -0.614 29.111 29.700 0.041 0.000 0.755 950 E HN 0.267 nan 8.360 nan 0.000 0.453 951 E N -0.096 120.156 120.200 0.087 0.000 2.152 951 E HA -0.066 4.289 4.350 0.009 0.000 0.192 951 E C 1.948 178.616 176.600 0.113 0.000 0.983 951 E CA 0.550 57.019 56.400 0.116 0.000 0.818 951 E CB -0.076 29.741 29.700 0.196 0.000 0.758 951 E HN 0.268 nan 8.360 nan 0.000 0.467 952 M N 0.613 120.294 119.600 0.135 0.000 2.073 952 M HA -0.163 4.323 4.480 0.009 0.000 0.258 952 M C 2.367 178.725 176.300 0.097 0.000 1.070 952 M CA 1.542 56.946 55.300 0.174 0.000 1.103 952 M CB -1.264 31.445 32.600 0.181 0.000 1.321 952 M HN 0.055 nan 8.290 nan 0.000 0.405 953 A N -0.248 122.611 122.820 0.065 0.000 1.902 953 A HA -0.217 4.108 4.320 0.009 0.000 0.217 953 A C 2.291 179.855 177.584 -0.033 0.000 1.181 953 A CA 2.095 54.148 52.037 0.028 0.000 0.623 953 A CB -0.740 18.277 19.000 0.028 0.000 0.818 953 A HN 0.538 nan 8.150 nan 0.000 0.443 954 K N -0.860 119.517 120.400 -0.038 0.000 2.103 954 K HA -0.144 4.182 4.320 0.009 0.000 0.207 954 K C 1.773 178.274 176.600 -0.166 0.000 1.048 954 K CA 1.832 58.069 56.287 -0.085 0.000 0.930 954 K CB -0.259 32.199 32.500 -0.070 0.000 0.716 954 K HN 0.465 nan 8.250 nan 0.000 0.444 955 T N 0.515 114.945 114.554 -0.206 0.000 2.951 955 T HA 0.003 4.359 4.350 0.009 0.000 0.268 955 T C 1.658 175.978 174.700 -0.634 0.000 1.073 955 T CA 0.711 62.566 62.100 -0.408 0.000 1.134 955 T CB -0.042 68.595 68.868 -0.385 0.000 0.884 955 T HN 0.302 nan 8.240 nan 0.000 0.479 956 R N 0.957 121.174 120.500 -0.472 0.000 2.115 956 R HA 0.031 4.376 4.340 0.009 0.000 0.230 956 R C 2.450 178.661 176.300 -0.148 0.000 1.111 956 R CA 0.979 56.905 56.100 -0.290 0.000 0.976 956 R CB -0.096 30.198 30.300 -0.010 0.000 0.870 956 R HN 0.277 nan 8.270 nan 0.000 0.445 957 K N 0.745 121.065 120.400 -0.133 0.000 2.228 957 K HA 0.003 4.328 4.320 0.009 0.000 0.202 957 K C 1.727 178.269 176.600 -0.097 0.000 1.051 957 K CA 0.799 57.035 56.287 -0.085 0.000 0.960 957 K CB 0.258 32.714 32.500 -0.072 0.000 0.743 957 K HN 0.115 nan 8.250 nan 0.000 0.458 958 I N -0.259 120.219 120.570 -0.153 0.000 3.035 958 I HA 0.126 4.301 4.170 0.009 0.000 0.271 958 I C 0.488 176.543 176.117 -0.103 0.000 1.190 958 I CA 0.304 61.518 61.300 -0.143 0.000 1.472 958 I CB 0.468 38.343 38.000 -0.208 0.000 1.116 958 I HN 0.243 nan 8.210 nan 0.000 0.443 959 G N 0.576 109.289 108.800 -0.144 0.000 3.225 959 G HA2 -0.185 3.780 3.960 0.009 0.000 0.686 959 G HA3 -0.185 3.780 3.960 0.009 0.000 0.686 959 G C -0.148 174.750 174.900 -0.004 0.000 1.105 959 G CA -0.769 44.321 45.100 -0.017 0.000 0.831 959 G HN 0.049 nan 8.290 nan 0.000 0.578 960 F N 1.174 121.233 119.950 0.182 0.000 2.134 960 F HA -0.002 4.531 4.527 0.009 0.000 0.299 960 F C 2.661 178.598 175.800 0.229 0.000 1.097 960 F CA 2.170 60.300 58.000 0.215 0.000 1.264 960 F CB -0.357 38.701 39.000 0.097 0.000 1.001 960 F HN 0.612 nan 8.300 nan 0.000 0.479 961 Y N 0.119 120.667 120.300 0.413 0.000 2.200 961 Y HA -0.187 4.369 4.550 0.009 0.000 0.290 961 Y C 2.283 178.324 175.900 0.234 0.000 1.137 961 Y CA 1.319 59.620 58.100 0.335 0.000 1.163 961 Y CB -0.657 38.007 38.460 0.340 0.000 0.988 961 Y HN -0.009 nan 8.280 nan 0.000 0.518 962 E N -0.128 120.252 120.200 0.299 0.000 2.072 962 E HA -0.159 4.196 4.350 0.009 0.000 0.191 962 E C 2.082 178.696 176.600 0.024 0.000 0.985 962 E CA 1.031 57.509 56.400 0.130 0.000 0.801 962 E CB -0.143 29.601 29.700 0.073 0.000 0.750 962 E HN 0.261 nan 8.360 nan 0.000 0.452 963 R N -0.806 119.677 120.500 -0.029 0.000 2.275 963 R HA 0.052 4.397 4.340 0.009 0.000 0.199 963 R C 0.459 176.646 176.300 -0.189 0.000 0.989 963 R CA 0.428 56.395 56.100 -0.222 0.000 1.016 963 R CB 0.123 30.159 30.300 -0.441 0.000 0.918 963 R HN 0.130 nan 8.270 nan 0.000 0.473 964 F N 1.031 121.086 119.950 0.175 0.000 2.639 964 F HA 0.284 4.817 4.527 0.009 0.000 0.302 964 F C 0.243 176.046 175.800 0.005 0.000 1.097 964 F CA -0.289 57.833 58.000 0.204 0.000 1.294 964 F CB 0.743 39.857 39.000 0.189 0.000 1.027 964 F HN -0.184 nan 8.300 nan 0.000 0.550 965 K N 0.518 120.939 120.400 0.034 0.000 3.117 965 K HA -0.189 4.136 4.320 0.009 0.000 0.269 965 K C 0.113 176.738 176.600 0.040 0.000 1.098 965 K CA 0.412 56.655 56.287 -0.073 0.000 0.785 965 K CB -2.178 30.151 32.500 -0.286 0.000 1.242 965 K HN 0.402 nan 8.250 nan 0.000 0.491 966 L N 0.383 121.712 121.223 0.176 0.000 2.783 966 L HA 0.345 4.691 4.340 0.009 0.000 0.236 966 L C 0.414 177.418 176.870 0.223 0.000 1.225 966 L CA -0.013 54.982 54.840 0.258 0.000 1.026 966 L CB 0.085 42.404 42.059 0.433 0.000 1.314 966 L HN 0.115 nan 8.230 nan 0.000 0.489 967 I N -0.953 119.647 120.570 0.050 0.000 2.500 967 I HA 0.290 4.466 4.170 0.009 0.000 0.286 967 I C -0.617 175.408 176.117 -0.152 0.000 1.063 967 I CA -0.067 61.153 61.300 -0.133 0.000 1.062 967 I CB 2.066 39.984 38.000 -0.136 0.000 1.223 967 I HN -0.087 nan 8.210 nan 0.000 0.435 968 S N 6.547 122.132 115.700 -0.192 0.000 2.538 968 S HA 0.635 5.110 4.470 0.009 0.000 0.288 968 S C -2.666 171.845 174.600 -0.149 0.000 1.108 968 S CA -1.223 56.877 58.200 -0.166 0.000 0.971 968 S CB 2.375 65.463 63.200 -0.188 0.000 1.041 968 S HN 0.287 nan 8.310 nan 0.000 0.483 969 P HA 0.558 nan 4.420 nan 0.000 0.279 969 P C -1.071 176.217 177.300 -0.021 0.000 1.252 969 P CA -0.553 62.516 63.100 -0.051 0.000 0.811 969 P CB 0.583 32.255 31.700 -0.046 0.000 1.035 970 I N 0.565 121.181 120.570 0.076 0.000 2.468 970 I HA 0.274 4.450 4.170 0.009 0.000 0.285 970 I C -0.188 176.063 176.117 0.225 0.000 1.039 970 I CA -0.552 60.836 61.300 0.146 0.000 1.074 970 I CB 1.929 40.042 38.000 0.188 0.000 1.228 970 I HN 0.197 nan 8.210 nan 0.000 0.436 971 S N 6.603 122.419 115.700 0.193 0.000 2.437 971 S HA 0.554 5.029 4.470 0.009 0.000 0.305 971 S C 0.348 175.133 174.600 0.310 0.000 1.109 971 S CA -0.616 57.709 58.200 0.208 0.000 1.099 971 S CB 0.821 64.087 63.200 0.110 0.000 1.004 971 S HN 0.601 nan 8.310 nan 0.000 0.475 972 L N 5.285 126.677 121.223 0.282 0.000 2.741 972 L HA 0.283 4.628 4.340 0.009 0.000 0.237 972 L C 1.121 178.117 176.870 0.210 0.000 1.178 972 L CA 0.075 55.076 54.840 0.269 0.000 0.973 972 L CB -0.348 41.888 42.059 0.295 0.000 1.255 972 L HN 0.682 nan 8.230 nan 0.000 0.498 973 M N -0.586 119.124 119.600 0.183 0.000 2.561 973 M HA 0.021 4.507 4.480 0.009 0.000 0.238 973 M C 0.887 177.276 176.300 0.148 0.000 1.131 973 M CA 0.780 56.166 55.300 0.143 0.000 1.046 973 M CB -0.025 32.640 32.600 0.108 0.000 1.532 973 M HN 0.271 nan 8.290 nan 0.000 0.497 974 N N 0.633 119.442 118.700 0.182 0.000 2.571 974 N HA 0.250 4.995 4.740 0.009 0.000 0.298 974 N C -0.757 174.877 175.510 0.206 0.000 1.671 974 N CA -0.156 53.007 53.050 0.189 0.000 0.900 974 N CB 0.586 39.181 38.487 0.179 0.000 1.365 974 N HN 0.236 nan 8.380 nan 0.000 0.493 975 M N 1.998 121.714 119.600 0.195 0.000 2.557 975 M HA 0.194 4.679 4.480 0.009 0.000 0.328 975 M C -0.650 175.778 176.300 0.212 0.000 1.423 975 M CA 0.005 55.412 55.300 0.180 0.000 1.418 975 M CB 0.777 33.478 32.600 0.169 0.000 1.381 975 M HN -0.146 nan 8.290 nan 0.000 0.467 976 V N 2.618 122.626 119.914 0.158 0.000 2.667 976 V HA 0.966 5.091 4.120 0.009 0.000 0.308 976 V C -0.111 175.999 176.094 0.026 0.000 1.048 976 V CA -0.614 61.735 62.300 0.082 0.000 0.928 976 V CB 1.843 33.699 31.823 0.055 0.000 1.004 976 V HN 0.864 nan 8.190 nan 0.000 0.444 977 A N 2.807 125.608 122.820 -0.032 0.000 2.590 977 A HA 0.749 5.075 4.320 0.009 0.000 0.294 977 A C -1.315 176.191 177.584 -0.130 0.000 1.046 977 A CA -0.633 51.377 52.037 -0.045 0.000 0.684 977 A CB 0.726 19.781 19.000 0.091 0.000 1.279 977 A HN 0.494 nan 8.150 nan 0.000 0.415 978 F N 2.166 122.113 119.950 -0.004 0.000 2.484 978 F HA 0.335 4.867 4.527 0.009 0.000 0.360 978 F C 1.232 177.048 175.800 0.026 0.000 1.101 978 F CA 0.550 58.535 58.000 -0.025 0.000 1.251 978 F CB 0.718 39.709 39.000 -0.016 0.000 1.132 978 F HN 0.700 nan 8.300 nan 0.000 0.570 979 D N 3.424 123.941 120.400 0.195 0.000 2.411 979 D HA 0.169 4.814 4.640 0.009 0.000 0.251 979 D C -2.147 174.161 176.300 0.014 0.000 1.201 979 D CA -2.196 51.879 54.000 0.125 0.000 0.996 979 D CB -0.141 40.724 40.800 0.108 0.000 1.101 979 D HN 0.139 nan 8.370 nan 0.000 0.504 980 P HA -0.151 nan 4.420 nan 0.000 0.220 980 P C 0.568 177.754 177.300 -0.189 0.000 1.144 980 P CA 1.243 64.111 63.100 -0.386 0.000 0.800 980 P CB -0.063 31.315 31.700 -0.537 0.000 0.772 981 H N -2.551 116.583 119.070 0.108 0.000 2.529 981 H HA 0.313 4.874 4.556 0.009 0.000 0.277 981 H C 1.569 176.970 175.328 0.121 0.000 1.004 981 H CA 0.905 57.031 56.048 0.129 0.000 1.167 981 H CB -0.026 29.787 29.762 0.085 0.000 1.445 981 H HN 0.142 nan 8.280 nan 0.000 0.554 982 G N 1.346 110.270 108.800 0.206 0.000 2.176 982 G HA2 -0.240 3.725 3.960 0.009 0.000 0.253 982 G HA3 -0.240 3.725 3.960 0.009 0.000 0.253 982 G C 0.117 175.150 174.900 0.221 0.000 0.979 982 G CA -0.231 44.944 45.100 0.125 0.000 0.641 982 G HN 0.110 nan 8.290 nan 0.000 0.530 983 K N 0.548 121.102 120.400 0.256 0.000 2.227 983 K HA 0.506 4.831 4.320 0.009 0.000 0.280 983 K C 0.590 177.274 176.600 0.139 0.000 1.041 983 K CA -1.042 55.371 56.287 0.210 0.000 0.905 983 K CB 1.721 34.287 32.500 0.109 0.000 1.068 983 K HN 0.373 nan 8.250 nan 0.000 0.470 984 I N 2.428 122.965 120.570 -0.056 0.000 2.683 984 I HA -0.064 4.111 4.170 0.009 0.000 0.286 984 I C 0.248 176.006 176.117 -0.598 0.000 1.175 984 I CA 0.708 61.602 61.300 -0.677 0.000 1.429 984 I CB 0.271 37.561 38.000 -1.184 0.000 1.371 984 I HN 0.447 nan 8.210 nan 0.000 0.569 985 K N 7.561 127.605 120.400 -0.593 0.000 2.502 985 K HA 0.389 4.715 4.320 0.009 0.000 0.257 985 K C -1.452 174.827 176.600 -0.534 0.000 0.938 985 K CA -0.935 55.041 56.287 -0.517 0.000 0.819 985 K CB 1.682 33.888 32.500 -0.489 0.000 1.333 985 K HN 0.493 nan 8.250 nan 0.000 0.434 986 K N 3.289 123.456 120.400 -0.388 0.000 2.235 986 K HA 0.265 4.591 4.320 0.009 0.000 0.266 986 K C -1.515 174.918 176.600 -0.279 0.000 0.980 986 K CA -0.583 55.600 56.287 -0.173 0.000 0.849 986 K CB 0.667 33.220 32.500 0.089 0.000 1.098 986 K HN 0.437 nan 8.250 nan 0.000 0.445 987 Y N 2.819 123.130 120.300 0.018 0.000 2.328 987 Y HA 0.194 4.749 4.550 0.009 0.000 0.337 987 Y C 0.971 176.895 175.900 0.040 0.000 1.008 987 Y CA -0.603 57.507 58.100 0.018 0.000 1.129 987 Y CB 1.327 39.785 38.460 -0.003 0.000 1.185 987 Y HN 0.645 nan 8.280 nan 0.000 0.476 988 N N 0.766 119.560 118.700 0.157 0.000 2.373 988 N HA -0.004 4.742 4.740 0.009 0.000 0.181 988 N C -0.375 175.203 175.510 0.114 0.000 1.082 988 N CA 0.352 53.471 53.050 0.115 0.000 0.885 988 N CB 0.383 38.915 38.487 0.076 0.000 0.977 988 N HN 0.559 nan 8.380 nan 0.000 0.462 989 S N -1.877 113.895 115.700 0.119 0.000 2.541 989 S HA 0.380 4.856 4.470 0.009 0.000 0.271 989 S C 0.875 175.491 174.600 0.027 0.000 1.133 989 S CA -0.827 57.418 58.200 0.076 0.000 0.876 989 S CB 1.714 64.945 63.200 0.052 0.000 1.105 989 S HN -0.222 nan 8.310 nan 0.000 0.470 990 V N 2.002 121.895 119.914 -0.036 0.000 2.332 990 V HA -0.194 3.932 4.120 0.009 0.000 0.248 990 V C 2.286 178.257 176.094 -0.204 0.000 1.055 990 V CA 2.290 64.472 62.300 -0.195 0.000 1.038 990 V CB -1.098 30.506 31.823 -0.365 0.000 0.651 990 V HN 0.875 nan 8.190 nan 0.000 0.450 991 N N -0.070 118.550 118.700 -0.134 0.000 2.223 991 N HA -0.188 4.558 4.740 0.009 0.000 0.185 991 N C 1.857 177.341 175.510 -0.044 0.000 1.016 991 N CA 1.442 54.430 53.050 -0.105 0.000 0.863 991 N CB -0.309 38.134 38.487 -0.073 0.000 0.983 991 N HN 0.677 nan 8.380 nan 0.000 0.429 992 E N 0.615 120.817 120.200 0.004 0.000 2.077 992 E HA -0.123 4.233 4.350 0.009 0.000 0.193 992 E C 1.828 178.466 176.600 0.063 0.000 0.989 992 E CA 0.813 57.264 56.400 0.084 0.000 0.800 992 E CB -0.046 29.752 29.700 0.164 0.000 0.746 992 E HN 0.316 nan 8.360 nan 0.000 0.452 993 I N 0.925 121.439 120.570 -0.094 0.000 2.179 993 I HA -0.276 3.899 4.170 0.009 0.000 0.242 993 I C 2.675 178.702 176.117 -0.151 0.000 1.088 993 I CA 0.818 61.928 61.300 -0.316 0.000 1.357 993 I CB -0.268 37.436 38.000 -0.494 0.000 1.051 993 I HN 0.255 nan 8.210 nan 0.000 0.409 994 L N 0.110 121.253 121.223 -0.135 0.000 2.046 994 L HA -0.219 4.126 4.340 0.009 0.000 0.208 994 L C 2.700 179.633 176.870 0.104 0.000 1.077 994 L CA 1.458 56.264 54.840 -0.057 0.000 0.747 994 L CB -0.131 41.847 42.059 -0.135 0.000 0.896 994 L HN 0.176 nan 8.230 nan 0.000 0.432 995 S N -0.462 115.283 115.700 0.075 0.000 2.356 995 S HA -0.275 4.200 4.470 0.009 0.000 0.223 995 S C 1.787 176.567 174.600 0.300 0.000 1.032 995 S CA 1.704 59.998 58.200 0.157 0.000 1.005 995 S CB -0.271 63.044 63.200 0.191 0.000 0.867 995 S HN 0.503 nan 8.310 nan 0.000 0.449 996 E N 0.038 120.382 120.200 0.241 0.000 2.110 996 E HA -0.177 4.179 4.350 0.009 0.000 0.193 996 E C 1.800 178.496 176.600 0.159 0.000 0.988 996 E CA 0.972 57.508 56.400 0.226 0.000 0.804 996 E CB -0.159 29.651 29.700 0.183 0.000 0.745 996 E HN 0.567 nan 8.360 nan 0.000 0.458 997 F N 0.185 120.126 119.950 -0.015 0.000 2.113 997 F HA -0.224 4.308 4.527 0.009 0.000 0.297 997 F C 2.080 177.870 175.800 -0.016 0.000 1.103 997 F CA 1.698 59.647 58.000 -0.084 0.000 1.248 997 F CB -0.709 38.216 39.000 -0.124 0.000 0.999 997 F HN 0.100 nan 8.300 nan 0.000 0.475 998 Y N 0.196 120.458 120.300 -0.063 0.000 2.040 998 Y HA -0.381 4.174 4.550 0.009 0.000 0.275 998 Y C 2.207 177.947 175.900 -0.267 0.000 1.171 998 Y CA 2.463 60.467 58.100 -0.160 0.000 1.123 998 Y CB -1.142 37.195 38.460 -0.205 0.000 0.963 998 Y HN 0.186 nan 8.280 nan 0.000 0.493 999 Y N -1.129 119.222 120.300 0.085 0.000 2.274 999 Y HA -0.191 4.364 4.550 0.009 0.000 0.290 999 Y C 2.510 178.320 175.900 -0.151 0.000 1.145 999 Y CA 1.440 59.540 58.100 -0.000 0.000 1.203 999 Y CB -0.851 37.674 38.460 0.108 0.000 0.984 999 Y HN 0.016 nan 8.280 nan 0.000 0.533 1000 V N -0.365 119.486 119.914 -0.104 0.000 2.548 1000 V HA -0.183 3.942 4.120 0.009 0.000 0.249 1000 V C 2.528 178.423 176.094 -0.333 0.000 1.055 1000 V CA 1.412 63.596 62.300 -0.194 0.000 1.065 1000 V CB -0.372 31.249 31.823 -0.336 0.000 0.681 1000 V HN 0.228 nan 8.190 nan 0.000 0.462 1001 R N 0.022 120.117 120.500 -0.674 0.000 2.073 1001 R HA -0.026 4.320 4.340 0.009 0.000 0.229 1001 R C 2.132 178.044 176.300 -0.646 0.000 1.120 1001 R CA 1.328 56.906 56.100 -0.871 0.000 0.967 1001 R CB -1.013 28.429 30.300 -1.430 0.000 0.862 1001 R HN 0.443 nan 8.270 nan 0.000 0.436 1002 L N 1.731 122.611 121.223 -0.572 0.000 2.042 1002 L HA -0.131 4.214 4.340 0.009 0.000 0.210 1002 L C 2.226 179.029 176.870 -0.112 0.000 1.076 1002 L CA 2.085 56.750 54.840 -0.291 0.000 0.749 1002 L CB -0.671 41.226 42.059 -0.270 0.000 0.893 1002 L HN 0.289 nan 8.230 nan 0.000 0.432 1003 E N -1.664 118.487 120.200 -0.082 0.000 2.118 1003 E HA -0.285 4.071 4.350 0.009 0.000 0.195 1003 E C 1.944 178.478 176.600 -0.110 0.000 0.992 1003 E CA 1.541 57.914 56.400 -0.045 0.000 0.804 1003 E CB -0.255 29.450 29.700 0.009 0.000 0.741 1003 E HN 0.646 nan 8.360 nan 0.000 0.458 1004 Y N -1.228 118.928 120.300 -0.239 0.000 2.519 1004 Y HA -0.072 4.484 4.550 0.008 0.000 0.287 1004 Y C 1.527 177.207 175.900 -0.366 0.000 1.128 1004 Y CA 0.655 58.578 58.100 -0.294 0.000 1.282 1004 Y CB 0.003 38.259 38.460 -0.341 0.000 1.027 1004 Y HN 0.158 nan 8.280 nan 0.000 0.551 1005 Y N -0.354 119.814 120.300 -0.220 0.000 2.200 1005 Y HA -0.255 4.300 4.550 0.009 0.000 0.290 1005 Y C 2.611 178.418 175.900 -0.155 0.000 1.137 1005 Y CA 1.773 59.734 58.100 -0.231 0.000 1.163 1005 Y CB -0.427 37.862 38.460 -0.285 0.000 0.988 1005 Y HN 0.085 nan 8.280 nan 0.000 0.518 1006 Q N 0.916 120.725 119.800 0.015 0.000 2.119 1006 Q HA -0.174 4.171 4.340 0.009 0.000 0.201 1006 Q C 2.098 178.048 176.000 -0.083 0.000 0.972 1006 Q CA 1.795 57.581 55.803 -0.028 0.000 0.847 1006 Q CB -0.201 28.516 28.738 -0.035 0.000 0.903 1006 Q HN 0.352 nan 8.270 nan 0.000 0.433 1007 K N -0.411 119.897 120.400 -0.154 0.000 2.148 1007 K HA -0.138 4.187 4.320 0.009 0.000 0.204 1007 K C 2.162 178.664 176.600 -0.163 0.000 1.050 1007 K CA 1.022 57.180 56.287 -0.215 0.000 0.942 1007 K CB -0.063 32.177 32.500 -0.433 0.000 0.724 1007 K HN 0.147 nan 8.250 nan 0.000 0.446 1008 R N 1.083 121.488 120.500 -0.158 0.000 2.066 1008 R HA -0.139 4.207 4.340 0.009 0.000 0.232 1008 R C 2.284 178.547 176.300 -0.060 0.000 1.131 1008 R CA 1.839 57.855 56.100 -0.139 0.000 0.955 1008 R CB -0.125 30.049 30.300 -0.209 0.000 0.851 1008 R HN 0.081 nan 8.270 nan 0.000 0.432 1009 K N 0.205 120.578 120.400 -0.044 0.000 2.026 1009 K HA -0.174 4.152 4.320 0.009 0.000 0.208 1009 K C 1.276 177.847 176.600 -0.048 0.000 1.048 1009 K CA 2.095 58.363 56.287 -0.031 0.000 0.929 1009 K CB -0.147 32.343 32.500 -0.018 0.000 0.713 1009 K HN 0.133 nan 8.250 nan 0.000 0.439 1010 D N 0.150 120.515 120.400 -0.058 0.000 2.149 1010 D HA -0.203 4.443 4.640 0.009 0.000 0.198 1010 D C 1.927 178.161 176.300 -0.109 0.000 0.990 1010 D CA 1.038 54.988 54.000 -0.083 0.000 0.839 1010 D CB -0.375 40.375 40.800 -0.084 0.000 0.948 1010 D HN 0.393 nan 8.370 nan 0.000 0.460 1011 H N 0.062 119.033 119.070 -0.164 0.000 2.357 1011 H HA 0.024 4.586 4.556 0.009 0.000 0.301 1011 H C 2.162 177.373 175.328 -0.194 0.000 1.082 1011 H CA 0.921 56.857 56.048 -0.187 0.000 1.342 1011 H CB 0.055 29.723 29.762 -0.157 0.000 1.389 1011 H HN 0.128 nan 8.280 nan 0.000 0.511 1012 M N 0.132 119.726 119.600 -0.009 0.000 2.117 1012 M HA -0.150 4.335 4.480 0.009 0.000 0.262 1012 M C 2.702 178.931 176.300 -0.118 0.000 1.065 1012 M CA 1.742 57.020 55.300 -0.036 0.000 1.114 1012 M CB -0.217 32.380 32.600 -0.006 0.000 1.361 1012 M HN 0.289 nan 8.290 nan 0.000 0.408 1013 S N -0.069 115.551 115.700 -0.134 0.000 2.368 1013 S HA -0.196 4.280 4.470 0.009 0.000 0.224 1013 S C 1.744 176.192 174.600 -0.252 0.000 1.029 1013 S CA 1.486 59.598 58.200 -0.146 0.000 0.988 1013 S CB -0.616 62.516 63.200 -0.113 0.000 0.838 1013 S HN 0.543 nan 8.310 nan 0.000 0.462 1014 E N 2.004 121.969 120.200 -0.392 0.000 2.038 1014 E HA -0.258 4.097 4.350 0.009 0.000 0.195 1014 E C 2.505 178.510 176.600 -0.991 0.000 1.000 1014 E CA 1.224 57.209 56.400 -0.692 0.000 0.803 1014 E CB -0.267 28.951 29.700 -0.805 0.000 0.750 1014 E HN 0.638 nan 8.360 nan 0.000 0.448 1015 R N 0.657 120.699 120.500 -0.763 0.000 2.091 1015 R HA -0.159 4.186 4.340 0.009 0.000 0.238 1015 R C 2.480 178.695 176.300 -0.141 0.000 1.136 1015 R CA 1.441 57.263 56.100 -0.463 0.000 0.959 1015 R CB -0.444 29.726 30.300 -0.216 0.000 0.856 1015 R HN 0.278 nan 8.270 nan 0.000 0.437 1016 L N 0.700 121.852 121.223 -0.117 0.000 2.046 1016 L HA -0.176 4.170 4.340 0.009 0.000 0.208 1016 L C 2.791 179.687 176.870 0.045 0.000 1.077 1016 L CA 1.564 56.402 54.840 -0.004 0.000 0.747 1016 L CB -0.470 41.575 42.059 -0.023 0.000 0.896 1016 L HN 0.349 nan 8.230 nan 0.000 0.432 1017 Q N -0.965 118.819 119.800 -0.027 0.000 2.096 1017 Q HA -0.228 4.117 4.340 0.009 0.000 0.204 1017 Q C 2.139 178.306 176.000 0.278 0.000 0.982 1017 Q CA 1.681 57.526 55.803 0.071 0.000 0.850 1017 Q CB -0.195 28.541 28.738 -0.004 0.000 0.901 1017 Q HN 0.497 nan 8.270 nan 0.000 0.422 1018 W N 1.344 122.693 121.300 0.082 0.000 2.355 1018 W HA -0.115 4.550 4.660 0.009 0.000 0.309 1018 W C 1.880 178.546 176.519 0.245 0.000 1.206 1018 W CA 0.836 58.251 57.345 0.116 0.000 1.284 1018 W CB -0.767 28.705 29.460 0.020 0.000 1.145 1018 W HN 0.275 nan 8.180 nan 0.000 0.502 1019 E N -0.053 120.430 120.200 0.471 0.000 2.085 1019 E HA -0.188 4.167 4.350 0.009 0.000 0.194 1019 E C 2.127 179.053 176.600 0.543 0.000 0.994 1019 E CA 1.866 58.550 56.400 0.473 0.000 0.801 1019 E CB -0.575 29.372 29.700 0.413 0.000 0.743 1019 E HN -0.024 nan 8.360 nan 0.000 0.453 1020 V N 1.747 121.882 119.914 0.368 0.000 2.287 1020 V HA -0.296 3.830 4.120 0.009 0.000 0.248 1020 V C 2.079 178.381 176.094 0.347 0.000 1.053 1020 V CA 2.048 64.520 62.300 0.288 0.000 1.027 1020 V CB -0.543 31.376 31.823 0.161 0.000 0.646 1020 V HN 0.270 nan 8.190 nan 0.000 0.447 1021 E N -0.001 120.446 120.200 0.410 0.000 2.058 1021 E HA -0.292 4.063 4.350 0.009 0.000 0.194 1021 E C 2.293 179.249 176.600 0.593 0.000 0.997 1021 E CA 1.513 58.234 56.400 0.536 0.000 0.801 1021 E CB -0.224 29.863 29.700 0.646 0.000 0.746 1021 E HN 0.552 nan 8.360 nan 0.000 0.450 1022 K N 0.423 121.099 120.400 0.460 0.000 2.032 1022 K HA -0.208 4.117 4.320 0.009 0.000 0.209 1022 K C 2.010 178.668 176.600 0.097 0.000 1.048 1022 K CA 1.510 57.795 56.287 -0.002 0.000 0.927 1022 K CB -0.178 32.272 32.500 -0.083 0.000 0.712 1022 K HN 0.114 nan 8.250 nan 0.000 0.441 1023 Y N 0.778 121.170 120.300 0.153 0.000 2.181 1023 Y HA -0.177 4.379 4.550 0.009 0.000 0.288 1023 Y C 2.721 178.697 175.900 0.128 0.000 1.146 1023 Y CA 1.575 59.747 58.100 0.121 0.000 1.164 1023 Y CB -0.187 38.322 38.460 0.082 0.000 0.982 1023 Y HN 0.107 nan 8.280 nan 0.000 0.515 1024 S N -0.327 115.538 115.700 0.274 0.000 2.368 1024 S HA -0.166 4.310 4.470 0.009 0.000 0.225 1024 S C 1.668 176.314 174.600 0.076 0.000 1.030 1024 S CA 1.369 59.625 58.200 0.094 0.000 0.999 1024 S CB -0.584 62.588 63.200 -0.046 0.000 0.844 1024 S HN 0.341 nan 8.310 nan 0.000 0.459 1025 F N 1.797 121.924 119.950 0.295 0.000 2.456 1025 F HA 0.044 4.577 4.527 0.009 0.000 0.298 1025 F C 2.545 178.641 175.800 0.493 0.000 1.104 1025 F CA 0.527 58.792 58.000 0.441 0.000 1.435 1025 F CB -0.365 38.972 39.000 0.562 0.000 1.078 1025 F HN 0.196 nan 8.300 nan 0.000 0.546 1026 Q N -0.332 119.744 119.800 0.459 0.000 2.079 1026 Q HA -0.129 4.217 4.340 0.009 0.000 0.200 1026 Q C 2.415 178.614 176.000 0.331 0.000 0.974 1026 Q CA 1.468 57.447 55.803 0.293 0.000 0.840 1026 Q CB -0.318 28.498 28.738 0.131 0.000 0.898 1026 Q HN 0.259 nan 8.270 nan 0.000 0.430 1027 V N 1.445 121.517 119.914 0.264 0.000 2.295 1027 V HA -0.281 3.845 4.120 0.009 0.000 0.246 1027 V C 2.288 178.582 176.094 0.332 0.000 1.049 1027 V CA 1.929 64.366 62.300 0.228 0.000 1.024 1027 V CB -0.520 31.357 31.823 0.090 0.000 0.648 1027 V HN 0.332 nan 8.190 nan 0.000 0.447 1028 K N -0.533 120.058 120.400 0.319 0.000 2.097 1028 K HA -0.235 4.091 4.320 0.009 0.000 0.206 1028 K C 2.146 179.029 176.600 0.471 0.000 1.049 1028 K CA 1.911 58.395 56.287 0.328 0.000 0.933 1028 K CB -0.291 32.353 32.500 0.239 0.000 0.717 1028 K HN 0.429 nan 8.250 nan 0.000 0.442 1029 F N 1.465 121.677 119.950 0.436 0.000 2.075 1029 F HA -0.225 4.308 4.527 0.009 0.000 0.297 1029 F C 1.826 177.713 175.800 0.145 0.000 1.113 1029 F CA 1.224 59.372 58.000 0.245 0.000 1.218 1029 F CB 0.005 38.990 39.000 -0.025 0.000 0.984 1029 F HN -0.046 nan 8.300 nan 0.000 0.472 1030 I N 0.772 121.498 120.570 0.261 0.000 2.202 1030 I HA -0.266 3.910 4.170 0.009 0.000 0.242 1030 I C 2.352 178.500 176.117 0.052 0.000 1.091 1030 I CA 1.447 62.836 61.300 0.149 0.000 1.368 1030 I CB -1.628 36.603 38.000 0.385 0.000 1.058 1030 I HN 0.225 nan 8.210 nan 0.000 0.410 1031 K N 1.011 121.518 120.400 0.177 0.000 2.044 1031 K HA -0.194 4.131 4.320 0.009 0.000 0.210 1031 K C 2.253 178.849 176.600 -0.007 0.000 1.049 1031 K CA 1.670 58.000 56.287 0.072 0.000 0.927 1031 K CB -0.070 32.539 32.500 0.183 0.000 0.713 1031 K HN 0.178 nan 8.250 nan 0.000 0.443 1032 M N 0.460 120.069 119.600 0.016 0.000 2.117 1032 M HA -0.164 4.321 4.480 0.009 0.000 0.262 1032 M C 2.195 178.435 176.300 -0.100 0.000 1.065 1032 M CA 1.510 56.798 55.300 -0.021 0.000 1.114 1032 M CB -0.323 32.295 32.600 0.032 0.000 1.361 1032 M HN 0.195 nan 8.290 nan 0.000 0.408 1033 I N 0.354 120.811 120.570 -0.188 0.000 2.226 1033 I HA -0.297 3.878 4.170 0.009 0.000 0.245 1033 I C 2.261 178.292 176.117 -0.142 0.000 1.100 1033 I CA 1.333 62.505 61.300 -0.213 0.000 1.374 1033 I CB -0.419 37.394 38.000 -0.310 0.000 1.057 1033 I HN 0.285 nan 8.210 nan 0.000 0.413 1034 I N 0.504 120.993 120.570 -0.135 0.000 2.252 1034 I HA -0.241 3.934 4.170 0.009 0.000 0.245 1034 I C 2.378 178.436 176.117 -0.099 0.000 1.102 1034 I CA 1.378 62.599 61.300 -0.130 0.000 1.385 1034 I CB -0.550 37.336 38.000 -0.190 0.000 1.064 1034 I HN 0.256 nan 8.210 nan 0.000 0.414 1035 E N 1.257 121.408 120.200 -0.083 0.000 2.153 1035 E HA -0.205 4.150 4.350 0.009 0.000 0.194 1035 E C 0.446 177.013 176.600 -0.056 0.000 0.988 1035 E CA 0.744 57.109 56.400 -0.058 0.000 0.811 1035 E CB -0.000 29.677 29.700 -0.038 0.000 0.746 1035 E HN 0.424 nan 8.360 nan 0.000 0.466 1036 K N -1.247 119.112 120.400 -0.069 0.000 3.424 1036 K HA -0.200 4.126 4.320 0.009 0.000 0.297 1036 K C 0.670 177.238 176.600 -0.053 0.000 1.365 1036 K CA 0.824 57.072 56.287 -0.065 0.000 0.889 1036 K CB -1.352 31.117 32.500 -0.053 0.000 1.455 1036 K HN 0.164 nan 8.250 nan 0.000 0.483 1037 E N 0.431 120.602 120.200 -0.047 0.000 2.106 1037 E HA -0.095 4.260 4.350 0.009 0.000 0.192 1037 E C 0.561 177.139 176.600 -0.036 0.000 0.984 1037 E CA 0.794 57.176 56.400 -0.029 0.000 0.806 1037 E CB 0.102 29.796 29.700 -0.011 0.000 0.750 1037 E HN 0.180 nan 8.360 nan 0.000 0.458 1038 L N 1.094 122.277 121.223 -0.067 0.000 2.329 1038 L HA 0.267 4.612 4.340 0.009 0.000 0.279 1038 L C -0.657 176.139 176.870 -0.123 0.000 1.014 1038 L CA -0.325 54.462 54.840 -0.089 0.000 0.814 1038 L CB 1.821 43.806 42.059 -0.123 0.000 1.257 1038 L HN -0.120 nan 8.230 nan 0.000 0.424 1039 T N 1.539 116.036 114.554 -0.094 0.000 2.812 1039 T HA 0.518 4.873 4.350 0.009 0.000 0.282 1039 T C 0.418 175.072 174.700 -0.077 0.000 0.990 1039 T CA -0.634 61.413 62.100 -0.088 0.000 0.960 1039 T CB 1.459 70.291 68.868 -0.060 0.000 0.948 1039 T HN 0.292 nan 8.240 nan 0.000 0.438 1040 V N 1.839 121.706 119.914 -0.079 0.000 3.263 1040 V HA 0.091 4.217 4.120 0.009 0.000 0.248 1040 V C 1.335 177.409 176.094 -0.033 0.000 1.145 1040 V CA 0.510 62.785 62.300 -0.043 0.000 1.107 1040 V CB -0.174 31.643 31.823 -0.009 0.000 0.797 1040 V HN 1.034 nan 8.190 nan 0.000 0.467 1041 T N 2.898 117.428 114.554 -0.040 0.000 2.800 1041 T HA 0.073 4.429 4.350 0.009 0.000 0.283 1041 T C 0.510 175.193 174.700 -0.029 0.000 0.999 1041 T CA 0.622 62.702 62.100 -0.033 0.000 1.176 1041 T CB -0.298 68.548 68.868 -0.037 0.000 0.973 1041 T HN 0.509 nan 8.240 nan 0.000 0.519 1042 N N 1.603 120.289 118.700 -0.024 0.000 1.387 1042 N HA -0.214 4.531 4.740 0.009 0.000 0.119 1042 N C -0.675 174.822 175.510 -0.022 0.000 0.852 1042 N CA 0.903 53.941 53.050 -0.022 0.000 0.874 1042 N CB -0.399 38.076 38.487 -0.021 0.000 0.970 1042 N HN 0.745 nan 8.380 nan 0.000 0.642 1043 K N -0.608 119.780 120.400 -0.021 0.000 6.527 1043 K HA -0.115 4.210 4.320 0.009 0.000 0.707 1043 K C -2.661 173.926 176.600 -0.021 0.000 2.023 1043 K CA 0.310 56.584 56.287 -0.021 0.000 1.629 1043 K CB -1.137 31.348 32.500 -0.025 0.000 1.835 1043 K HN 0.439 nan 8.250 nan 0.000 0.314 1044 P HA -0.105 nan 4.420 nan 0.000 0.263 1044 P C 0.951 178.238 177.300 -0.022 0.000 1.168 1044 P CA 0.283 63.372 63.100 -0.018 0.000 0.759 1044 P CB 0.381 32.072 31.700 -0.015 0.000 0.782 1045 R N 3.186 123.673 120.500 -0.022 0.000 2.170 1045 R HA -0.230 4.115 4.340 0.009 0.000 0.242 1045 R C 1.151 177.433 176.300 -0.030 0.000 1.145 1045 R CA 1.732 57.815 56.100 -0.029 0.000 0.984 1045 R CB -0.862 29.425 30.300 -0.022 0.000 0.869 1045 R HN 0.294 nan 8.270 nan 0.000 0.455 1046 N N 1.528 120.216 118.700 -0.021 0.000 2.104 1046 N HA -0.149 4.597 4.740 0.009 0.000 0.190 1046 N C 1.756 177.253 175.510 -0.022 0.000 1.024 1046 N CA 1.918 54.958 53.050 -0.017 0.000 0.853 1046 N CB -0.416 38.064 38.487 -0.011 0.000 1.008 1046 N HN 0.472 nan 8.380 nan 0.000 0.424 1047 A N 0.679 123.485 122.820 -0.024 0.000 1.970 1047 A HA 0.077 4.403 4.320 0.009 0.000 0.216 1047 A C 2.271 179.832 177.584 -0.038 0.000 1.170 1047 A CA 0.525 52.548 52.037 -0.024 0.000 0.645 1047 A CB -0.408 18.581 19.000 -0.019 0.000 0.816 1047 A HN 0.184 nan 8.150 nan 0.000 0.447 1048 I N -0.295 120.244 120.570 -0.052 0.000 2.286 1048 I HA -0.210 3.966 4.170 0.009 0.000 0.245 1048 I C 2.206 178.236 176.117 -0.145 0.000 1.104 1048 I CA 1.034 62.286 61.300 -0.079 0.000 1.397 1048 I CB -0.315 37.641 38.000 -0.073 0.000 1.072 1048 I HN 0.287 nan 8.210 nan 0.000 0.417 1049 I N 0.478 120.963 120.570 -0.143 0.000 2.163 1049 I HA -0.318 3.858 4.170 0.009 0.000 0.243 1049 I C 2.657 178.683 176.117 -0.151 0.000 1.085 1049 I CA 1.263 62.441 61.300 -0.204 0.000 1.347 1049 I CB -0.439 37.531 38.000 -0.050 0.000 1.044 1049 I HN 0.320 nan 8.210 nan 0.000 0.408 1050 Q N 0.735 120.500 119.800 -0.058 0.000 2.084 1050 Q HA -0.204 4.141 4.340 0.009 0.000 0.202 1050 Q C 2.002 177.999 176.000 -0.006 0.000 0.978 1050 Q CA 1.483 57.280 55.803 -0.011 0.000 0.844 1050 Q CB -0.447 28.292 28.738 0.001 0.000 0.898 1050 Q HN 0.595 nan 8.270 nan 0.000 0.426 1051 E N 0.415 120.600 120.200 -0.025 0.000 2.085 1051 E HA -0.146 4.210 4.350 0.009 0.000 0.194 1051 E C 2.213 178.848 176.600 0.058 0.000 0.994 1051 E CA 0.833 57.240 56.400 0.013 0.000 0.801 1051 E CB -0.167 29.533 29.700 -0.001 0.000 0.743 1051 E HN 0.280 nan 8.360 nan 0.000 0.453 1052 L N 1.007 122.200 121.223 -0.049 0.000 2.017 1052 L HA -0.205 4.141 4.340 0.009 0.000 0.208 1052 L C 2.385 179.408 176.870 0.255 0.000 1.073 1052 L CA 1.380 56.235 54.840 0.025 0.000 0.745 1052 L CB -0.576 41.058 42.059 -0.709 0.000 0.894 1052 L HN 0.137 nan 8.230 nan 0.000 0.432 1053 E N 0.156 120.438 120.200 0.137 0.000 2.077 1053 E HA -0.196 4.160 4.350 0.009 0.000 0.193 1053 E C 1.721 178.432 176.600 0.186 0.000 0.989 1053 E CA 1.184 57.737 56.400 0.255 0.000 0.800 1053 E CB -0.290 29.538 29.700 0.213 0.000 0.746 1053 E HN 0.466 nan 8.360 nan 0.000 0.452 1054 N N 0.580 119.362 118.700 0.136 0.000 2.459 1054 N HA -0.043 4.702 4.740 0.009 0.000 0.181 1054 N C 1.465 177.042 175.510 0.112 0.000 1.046 1054 N CA 0.679 53.791 53.050 0.105 0.000 0.904 1054 N CB 0.090 38.621 38.487 0.075 0.000 0.964 1054 N HN 0.203 nan 8.380 nan 0.000 0.444 1055 L N -1.295 120.025 121.223 0.162 0.000 2.567 1055 L HA 0.243 4.589 4.340 0.009 0.000 0.225 1055 L C 1.185 178.073 176.870 0.029 0.000 1.119 1055 L CA 0.248 55.158 54.840 0.117 0.000 0.871 1055 L CB 0.075 42.267 42.059 0.221 0.000 1.036 1055 L HN 0.199 nan 8.230 nan 0.000 0.459 1056 G N -0.519 108.344 108.800 0.104 0.000 2.179 1056 G HA2 -0.265 3.700 3.960 0.009 0.000 0.220 1056 G HA3 -0.265 3.700 3.960 0.009 0.000 0.220 1056 G C 0.099 175.051 174.900 0.087 0.000 0.990 1056 G CA -0.643 44.525 45.100 0.114 0.000 0.646 1056 G HN 0.102 nan 8.290 nan 0.000 0.517 1057 F N 2.815 122.884 119.950 0.199 0.000 2.538 1057 F HA 0.419 4.951 4.527 0.009 0.000 0.371 1057 F C -1.061 174.737 175.800 -0.003 0.000 1.087 1057 F CA -1.306 56.745 58.000 0.084 0.000 1.250 1057 F CB 0.732 39.941 39.000 0.350 0.000 1.110 1057 F HN -0.046 nan 8.300 nan 0.000 0.570 1058 P HA 0.322 nan 4.420 nan 0.000 0.290 1058 P C -0.785 176.390 177.300 -0.208 0.000 1.275 1058 P CA -0.761 62.089 63.100 -0.417 0.000 0.841 1058 P CB 1.072 32.147 31.700 -1.042 0.000 1.042 1059 R N 1.411 121.715 120.500 -0.326 0.000 2.531 1059 R HA 0.536 4.882 4.340 0.009 0.000 0.273 1059 R C -0.347 175.878 176.300 -0.125 0.000 1.070 1059 R CA -0.225 55.681 56.100 -0.323 0.000 1.112 1059 R CB 0.480 30.582 30.300 -0.330 0.000 1.049 1059 R HN 0.458 nan 8.270 nan 0.000 0.508 1060 F N 1.554 121.252 119.950 -0.421 0.000 2.529 1060 F HA 0.240 4.773 4.527 0.009 0.000 0.320 1060 F C 0.353 175.997 175.800 -0.261 0.000 1.118 1060 F CA -1.146 56.602 58.000 -0.419 0.000 0.915 1060 F CB 1.660 40.321 39.000 -0.565 0.000 1.161 1060 F HN 0.621 nan 8.300 nan 0.000 0.445 1061 N N 1.761 120.359 118.700 -0.170 0.000 2.476 1061 N HA 0.251 4.997 4.740 0.009 0.000 0.287 1061 N C 0.276 175.751 175.510 -0.058 0.000 1.262 1061 N CA -0.680 52.297 53.050 -0.122 0.000 0.980 1061 N CB 0.593 38.971 38.487 -0.181 0.000 1.163 1061 N HN 0.431 nan 8.380 nan 0.000 0.592 1062 K N -0.654 119.721 120.400 -0.042 0.000 2.211 1062 K HA -0.054 4.272 4.320 0.009 0.000 0.203 1062 K C 1.251 177.856 176.600 0.008 0.000 1.050 1062 K CA 1.124 57.407 56.287 -0.008 0.000 0.945 1062 K CB -0.026 32.469 32.500 -0.009 0.000 0.732 1062 K HN 0.508 nan 8.250 nan 0.000 0.451 1063 E N -0.913 119.281 120.200 -0.012 0.000 2.107 1063 E HA -0.025 4.330 4.350 0.009 0.000 0.191 1063 E C 1.070 177.718 176.600 0.080 0.000 0.982 1063 E CA 1.262 57.685 56.400 0.039 0.000 0.809 1063 E CB 0.218 29.939 29.700 0.036 0.000 0.756 1063 E HN 0.407 nan 8.360 nan 0.000 0.459 1064 G N 0.367 109.156 108.800 -0.018 0.000 2.164 1064 G HA2 -0.237 3.728 3.960 0.009 0.000 0.154 1064 G HA3 -0.237 3.728 3.960 0.009 0.000 0.154 1064 G C 0.028 174.691 174.900 -0.395 0.000 1.014 1064 G CA -0.074 45.040 45.100 0.024 0.000 0.683 1064 G HN 0.159 nan 8.290 nan 0.000 0.500 1065 K N 1.354 121.276 120.400 -0.797 0.000 2.258 1065 K HA 0.545 4.870 4.320 0.009 0.000 0.284 1065 K C -2.379 173.392 176.600 -1.382 0.000 1.051 1065 K CA -1.851 53.462 56.287 -1.622 0.000 0.923 1065 K CB 1.309 33.045 32.500 -1.273 0.000 1.046 1065 K HN 0.035 nan 8.250 nan 0.000 0.474 1066 P HA 0.056 nan 4.420 nan 0.000 0.274 1066 P C -1.653 175.189 177.300 -0.764 0.000 1.237 1066 P CA -0.103 62.134 63.100 -1.438 0.000 0.793 1066 P CB 0.306 31.374 31.700 -1.053 0.000 0.977 1067 Y N 1.008 120.784 120.300 -0.874 0.000 2.373 1067 Y HA 0.364 4.919 4.550 0.009 0.000 0.336 1067 Y C -0.357 175.158 175.900 -0.643 0.000 0.979 1067 Y CA -0.481 57.301 58.100 -0.529 0.000 1.080 1067 Y CB 1.366 39.627 38.460 -0.332 0.000 1.190 1067 Y HN 0.349 nan 8.280 nan 0.000 0.446 1068 Y N 2.826 122.788 120.300 -0.563 0.000 2.481 1068 Y HA 0.267 4.823 4.550 0.009 0.000 0.247 1068 Y C 1.731 177.333 175.900 -0.497 0.000 1.151 1068 Y CA 0.209 58.070 58.100 -0.399 0.000 1.238 1068 Y CB 0.831 39.153 38.460 -0.229 0.000 1.179 1068 Y HN 0.829 nan 8.280 nan 0.000 0.524 1069 G N 0.666 108.890 108.800 -0.961 0.000 2.434 1069 G HA2 0.097 4.062 3.960 0.009 0.000 0.214 1069 G HA3 0.097 4.062 3.960 0.009 0.000 0.214 1069 G C 0.488 175.313 174.900 -0.125 0.000 1.202 1069 G CA 1.031 45.787 45.100 -0.573 0.000 0.788 1069 G HN 0.472 nan 8.290 nan 0.000 0.539 1108 E N 2.000 122.172 120.200 -0.047 0.000 2.209 1108 E HA -0.160 4.195 4.350 0.009 0.000 0.196 1108 E C 1.585 178.096 176.600 -0.149 0.000 0.993 1108 E CA 1.674 58.024 56.400 -0.085 0.000 0.819 1108 E CB -0.035 29.624 29.700 -0.069 0.000 0.745 1108 E HN 0.506 nan 8.360 nan 0.000 0.477 1109 L N -0.734 120.389 121.223 -0.168 0.000 2.056 1109 L HA -0.077 4.269 4.340 0.009 0.000 0.207 1109 L C 1.622 178.141 176.870 -0.586 0.000 1.078 1109 L CA 1.749 56.381 54.840 -0.347 0.000 0.749 1109 L CB -0.405 41.423 42.059 -0.384 0.000 0.901 1109 L HN 0.207 nan 8.230 nan 0.000 0.433 1110 Y N -0.681 119.357 120.300 -0.436 0.000 2.441 1110 Y HA 0.493 5.048 4.550 0.008 0.000 0.288 1110 Y C 1.541 177.129 175.900 -0.520 0.000 1.118 1110 Y CA 0.432 58.084 58.100 -0.747 0.000 1.215 1110 Y CB -0.258 37.806 38.460 -0.660 0.000 1.118 1110 Y HN 0.229 nan 8.280 nan 0.000 0.547 1111 G N 0.147 108.847 108.800 -0.167 0.000 2.631 1111 G HA2 0.102 4.067 3.960 0.009 0.000 0.504 1111 G HA3 0.102 4.067 3.960 0.009 0.000 0.504 1111 G C -0.458 174.375 174.900 -0.111 0.000 1.306 1111 G CA -0.530 44.481 45.100 -0.148 0.000 0.897 1111 G HN 0.462 nan 8.290 nan 0.000 0.520 1112 T N -3.519 110.981 114.554 -0.089 0.000 2.838 1112 T HA 0.644 4.999 4.350 0.009 0.000 0.292 1112 T C -0.047 174.596 174.700 -0.095 0.000 1.113 1112 T CA -0.405 61.651 62.100 -0.073 0.000 1.008 1112 T CB 1.774 70.640 68.868 -0.003 0.000 1.259 1112 T HN 0.967 nan 8.240 nan 0.000 0.520 1113 Y N -0.018 120.297 120.300 0.025 0.000 2.645 1113 Y HA 0.336 4.892 4.550 0.009 0.000 0.307 1113 Y C 1.972 177.728 175.900 -0.240 0.000 1.151 1113 Y CA -0.457 57.579 58.100 -0.107 0.000 1.291 1113 Y CB -0.027 38.305 38.460 -0.213 0.000 1.135 1113 Y HN 0.791 nan 8.280 nan 0.000 0.523 1114 E N 0.112 120.317 120.200 0.008 0.000 2.274 1114 E HA -0.211 4.145 4.350 0.009 0.000 0.194 1114 E C 1.601 178.141 176.600 -0.101 0.000 0.996 1114 E CA 1.122 57.494 56.400 -0.046 0.000 0.840 1114 E CB -0.340 29.361 29.700 0.001 0.000 0.772 1114 E HN 0.668 nan 8.360 nan 0.000 0.491 1115 Y N -1.245 118.933 120.300 -0.203 0.000 2.616 1115 Y HA 0.175 4.730 4.550 0.009 0.000 0.296 1115 Y C 1.191 176.890 175.900 -0.335 0.000 1.154 1115 Y CA 0.456 58.389 58.100 -0.277 0.000 1.325 1115 Y CB -0.178 38.027 38.460 -0.425 0.000 1.007 1115 Y HN 0.021 nan 8.280 nan 0.000 0.542 1116 L N -0.810 119.838 121.223 -0.960 0.000 2.590 1116 L HA 0.149 4.495 4.340 0.009 0.000 0.181 1116 L C 1.968 178.370 176.870 -0.780 0.000 1.134 1116 L CA 0.090 54.227 54.840 -1.172 0.000 0.850 1116 L CB -0.323 40.625 42.059 -1.851 0.000 1.172 1116 L HN 0.089 nan 8.230 nan 0.000 0.498 1117 L N 0.280 121.152 121.223 -0.585 0.000 2.465 1117 L HA 0.005 4.351 4.340 0.009 0.000 0.224 1117 L C 2.223 179.004 176.870 -0.148 0.000 1.145 1117 L CA 0.821 55.501 54.840 -0.267 0.000 0.834 1117 L CB -0.629 41.323 42.059 -0.178 0.000 0.944 1117 L HN 0.337 nan 8.230 nan 0.000 0.451 1118 G N -0.616 108.085 108.800 -0.165 0.000 2.712 1118 G HA2 0.055 4.020 3.960 0.009 0.000 0.212 1118 G HA3 0.055 4.020 3.960 0.009 0.000 0.212 1118 G C 0.872 175.740 174.900 -0.052 0.000 1.142 1118 G CA -0.334 44.716 45.100 -0.083 0.000 0.789 1118 G HN 0.118 nan 8.290 nan 0.000 0.535 1119 M N 0.887 120.444 119.600 -0.073 0.000 2.252 1119 M HA 0.207 4.693 4.480 0.009 0.000 0.333 1119 M C 0.537 176.862 176.300 0.041 0.000 1.111 1119 M CA 0.149 55.443 55.300 -0.010 0.000 1.140 1119 M CB 0.737 33.334 32.600 -0.006 0.000 1.538 1119 M HN -0.014 nan 8.290 nan 0.000 0.448 1120 R N 1.271 121.825 120.500 0.090 0.000 2.641 1120 R HA 0.170 4.515 4.340 0.009 0.000 0.269 1120 R C 1.112 177.495 176.300 0.137 0.000 1.074 1120 R CA -0.224 55.960 56.100 0.140 0.000 1.133 1120 R CB 0.504 30.951 30.300 0.244 0.000 1.029 1120 R HN 0.707 nan 8.270 nan 0.000 0.488 1121 I N 0.669 121.281 120.570 0.070 0.000 2.530 1121 I HA -0.289 3.886 4.170 0.009 0.000 0.257 1121 I C 1.395 177.515 176.117 0.004 0.000 1.179 1121 I CA 1.230 62.526 61.300 -0.007 0.000 1.440 1121 I CB -0.178 37.757 38.000 -0.108 0.000 1.087 1121 I HN 0.705 nan 8.210 nan 0.000 0.440 1122 W N 1.391 122.711 121.300 0.033 0.000 2.325 1122 W HA -0.278 4.387 4.660 0.009 0.000 0.299 1122 W C 3.008 179.560 176.519 0.056 0.000 1.215 1122 W CA 1.670 59.039 57.345 0.039 0.000 1.244 1122 W CB -0.557 28.924 29.460 0.035 0.000 1.140 1122 W HN 0.221 nan 8.180 nan 0.000 0.523 1123 S N -0.048 115.828 115.700 0.293 0.000 2.493 1123 S HA -0.163 4.312 4.470 0.009 0.000 0.243 1123 S C 1.545 176.274 174.600 0.215 0.000 0.991 1123 S CA 1.139 59.476 58.200 0.228 0.000 0.957 1123 S CB -0.751 62.557 63.200 0.179 0.000 0.756 1123 S HN 0.353 nan 8.310 nan 0.000 0.521 1124 L N 1.739 123.059 121.223 0.161 0.000 2.270 1124 L HA 0.079 4.424 4.340 0.009 0.000 0.210 1124 L C 1.495 178.422 176.870 0.095 0.000 1.104 1124 L CA 0.642 55.547 54.840 0.108 0.000 0.804 1124 L CB -1.048 41.033 42.059 0.036 0.000 0.937 1124 L HN 0.457 nan 8.230 nan 0.000 0.450 1125 T N -1.772 112.856 114.554 0.123 0.000 2.932 1125 T HA -0.007 4.349 4.350 0.009 0.000 0.312 1125 T C 1.160 175.953 174.700 0.155 0.000 1.071 1125 T CA -0.336 61.835 62.100 0.119 0.000 1.128 1125 T CB 1.095 70.068 68.868 0.174 0.000 0.984 1125 T HN 0.325 nan 8.240 nan 0.000 0.549 1126 K N 2.047 122.513 120.400 0.110 0.000 2.103 1126 K HA -0.223 4.102 4.320 0.009 0.000 0.207 1126 K C 1.742 178.452 176.600 0.184 0.000 1.048 1126 K CA 1.870 58.236 56.287 0.131 0.000 0.930 1126 K CB -0.265 32.278 32.500 0.072 0.000 0.716 1126 K HN 0.795 nan 8.250 nan 0.000 0.444 1127 E N 0.208 120.503 120.200 0.158 0.000 2.153 1127 E HA -0.100 4.255 4.350 0.009 0.000 0.194 1127 E C 2.250 178.939 176.600 0.150 0.000 0.988 1127 E CA 0.597 57.082 56.400 0.142 0.000 0.811 1127 E CB 0.035 29.814 29.700 0.130 0.000 0.746 1127 E HN 0.248 nan 8.360 nan 0.000 0.466 1128 R N 0.105 120.719 120.500 0.190 0.000 2.093 1128 R HA -0.069 4.276 4.340 0.009 0.000 0.224 1128 R C 2.064 178.476 176.300 0.186 0.000 1.101 1128 R CA 0.851 57.059 56.100 0.180 0.000 0.979 1128 R CB -0.658 29.777 30.300 0.225 0.000 0.877 1128 R HN 0.320 nan 8.270 nan 0.000 0.441 1129 Y N 2.064 122.425 120.300 0.101 0.000 2.224 1129 Y HA -0.223 4.333 4.550 0.009 0.000 0.289 1129 Y C 2.284 178.235 175.900 0.085 0.000 1.146 1129 Y CA 1.557 59.714 58.100 0.094 0.000 1.182 1129 Y CB 0.199 38.707 38.460 0.079 0.000 0.983 1129 Y HN 0.005 nan 8.280 nan 0.000 0.524 1130 Q N 0.545 120.450 119.800 0.174 0.000 2.079 1130 Q HA -0.202 4.143 4.340 0.009 0.000 0.200 1130 Q C 2.235 178.248 176.000 0.023 0.000 0.974 1130 Q CA 1.612 57.467 55.803 0.087 0.000 0.840 1130 Q CB -0.457 28.350 28.738 0.114 0.000 0.898 1130 Q HN 0.484 nan 8.270 nan 0.000 0.430 1131 K N 0.563 120.991 120.400 0.046 0.000 2.097 1131 K HA -0.153 4.173 4.320 0.009 0.000 0.206 1131 K C 2.070 178.688 176.600 0.029 0.000 1.049 1131 K CA 0.669 56.978 56.287 0.037 0.000 0.933 1131 K CB -0.074 32.456 32.500 0.050 0.000 0.717 1131 K HN 0.059 nan 8.250 nan 0.000 0.442 1132 L N 1.400 122.632 121.223 0.014 0.000 2.093 1132 L HA -0.116 4.229 4.340 0.009 0.000 0.208 1132 L C 1.850 178.709 176.870 -0.017 0.000 1.085 1132 L CA 1.458 56.317 54.840 0.032 0.000 0.755 1132 L CB -0.241 41.806 42.059 -0.019 0.000 0.904 1132 L HN 0.193 nan 8.230 nan 0.000 0.435 1133 L N -0.919 120.230 121.223 -0.123 0.000 2.056 1133 L HA -0.192 4.154 4.340 0.009 0.000 0.207 1133 L C 2.535 179.367 176.870 -0.063 0.000 1.078 1133 L CA 1.271 56.042 54.840 -0.116 0.000 0.749 1133 L CB -0.575 41.400 42.059 -0.141 0.000 0.901 1133 L HN 0.209 nan 8.230 nan 0.000 0.433 1134 K N -0.081 120.294 120.400 -0.041 0.000 2.057 1134 K HA -0.219 4.107 4.320 0.009 0.000 0.207 1134 K C 2.160 178.722 176.600 -0.064 0.000 1.049 1134 K CA 1.470 57.736 56.287 -0.035 0.000 0.931 1134 K CB -0.202 32.290 32.500 -0.013 0.000 0.714 1134 K HN 0.377 nan 8.250 nan 0.000 0.440 1135 Q N 0.885 120.646 119.800 -0.064 0.000 2.050 1135 Q HA -0.185 4.161 4.340 0.009 0.000 0.202 1135 Q C 2.198 177.982 176.000 -0.361 0.000 0.980 1135 Q CA 1.466 57.180 55.803 -0.150 0.000 0.840 1135 Q CB -0.127 28.601 28.738 -0.016 0.000 0.898 1135 Q HN 0.242 nan 8.270 nan 0.000 0.424 1136 K N 0.728 120.944 120.400 -0.307 0.000 2.063 1136 K HA -0.285 4.041 4.320 0.009 0.000 0.208 1136 K C 2.168 178.655 176.600 -0.188 0.000 1.048 1136 K CA 1.673 57.778 56.287 -0.303 0.000 0.928 1136 K CB 0.030 32.489 32.500 -0.069 0.000 0.713 1136 K HN 0.012 nan 8.250 nan 0.000 0.442 1137 Q N 1.256 120.982 119.800 -0.122 0.000 2.119 1137 Q HA -0.135 4.211 4.340 0.009 0.000 0.201 1137 Q C 1.381 177.330 176.000 -0.084 0.000 0.972 1137 Q CA 1.856 57.611 55.803 -0.079 0.000 0.847 1137 Q CB 0.079 28.786 28.738 -0.051 0.000 0.903 1137 Q HN 0.441 nan 8.270 nan 0.000 0.433 1138 E N -0.568 119.569 120.200 -0.106 0.000 2.150 1138 E HA -0.133 4.222 4.350 0.009 0.000 0.193 1138 E C 1.816 178.356 176.600 -0.099 0.000 0.985 1138 E CA 0.744 57.091 56.400 -0.088 0.000 0.814 1138 E CB 0.106 29.758 29.700 -0.081 0.000 0.752 1138 E HN 0.137 nan 8.360 nan 0.000 0.466 1139 K N 1.091 121.393 120.400 -0.163 0.000 2.062 1139 K HA -0.092 4.233 4.320 0.009 0.000 0.205 1139 K C 1.933 178.488 176.600 -0.075 0.000 1.051 1139 K CA 0.967 57.171 56.287 -0.140 0.000 0.941 1139 K CB -0.159 32.194 32.500 -0.245 0.000 0.719 1139 K HN 0.196 nan 8.250 nan 0.000 0.440 1140 E N 0.079 120.235 120.200 -0.073 0.000 2.085 1140 E HA -0.149 4.206 4.350 0.009 0.000 0.194 1140 E C 1.869 178.451 176.600 -0.030 0.000 0.994 1140 E CA 1.656 58.034 56.400 -0.037 0.000 0.801 1140 E CB -0.099 29.581 29.700 -0.032 0.000 0.743 1140 E HN 0.263 nan 8.360 nan 0.000 0.453 1141 T N 1.002 115.535 114.554 -0.035 0.000 2.777 1141 T HA -0.143 4.213 4.350 0.009 0.000 0.266 1141 T C 1.616 176.304 174.700 -0.019 0.000 1.040 1141 T CA 1.124 63.209 62.100 -0.024 0.000 1.141 1141 T CB -0.178 68.675 68.868 -0.024 0.000 0.868 1141 T HN 0.219 nan 8.240 nan 0.000 0.444 1142 E N 0.498 120.684 120.200 -0.023 0.000 2.118 1142 E HA -0.116 4.240 4.350 0.009 0.000 0.195 1142 E C 2.105 178.697 176.600 -0.013 0.000 0.992 1142 E CA 0.790 57.182 56.400 -0.014 0.000 0.804 1142 E CB -0.217 29.474 29.700 -0.013 0.000 0.741 1142 E HN 0.227 nan 8.360 nan 0.000 0.458 1143 L N 1.492 122.704 121.223 -0.017 0.000 2.109 1143 L HA -0.133 4.213 4.340 0.009 0.000 0.207 1143 L C 1.864 178.724 176.870 -0.016 0.000 1.086 1143 L CA 1.713 56.543 54.840 -0.018 0.000 0.760 1143 L CB -0.147 41.903 42.059 -0.015 0.000 0.910 1143 L HN 0.018 nan 8.230 nan 0.000 0.437 1144 E N -0.583 119.609 120.200 -0.014 0.000 2.047 1144 E HA -0.198 4.158 4.350 0.009 0.000 0.191 1144 E C 1.829 178.423 176.600 -0.010 0.000 0.987 1144 E CA 1.248 57.641 56.400 -0.012 0.000 0.799 1144 E CB -0.185 29.509 29.700 -0.011 0.000 0.752 1144 E HN 0.524 nan 8.360 nan 0.000 0.449 1145 N N 1.101 119.796 118.700 -0.008 0.000 2.120 1145 N HA -0.162 4.584 4.740 0.009 0.000 0.188 1145 N C 1.853 177.359 175.510 -0.005 0.000 1.024 1145 N CA 0.682 53.729 53.050 -0.005 0.000 0.852 1145 N CB -0.428 38.059 38.487 -0.001 0.000 1.003 1145 N HN 0.081 nan 8.380 nan 0.000 0.424 1146 L N 1.161 122.380 121.223 -0.007 0.000 2.017 1146 L HA -0.015 4.330 4.340 0.009 0.000 0.208 1146 L C 1.794 178.656 176.870 -0.013 0.000 1.073 1146 L CA 1.384 56.219 54.840 -0.009 0.000 0.745 1146 L CB -0.658 41.393 42.059 -0.013 0.000 0.894 1146 L HN 0.131 nan 8.230 nan 0.000 0.432 1147 L N -0.829 120.385 121.223 -0.016 0.000 2.456 1147 L HA -0.155 4.190 4.340 0.009 0.000 0.224 1147 L C 1.771 178.633 176.870 -0.014 0.000 1.148 1147 L CA 0.839 55.668 54.840 -0.018 0.000 0.825 1147 L CB -0.508 41.540 42.059 -0.019 0.000 0.937 1147 L HN 0.251 nan 8.230 nan 0.000 0.450 1148 K N 0.056 120.449 120.400 -0.011 0.000 2.437 1148 K HA 0.276 4.602 4.320 0.009 0.000 0.198 1148 K C -0.177 176.418 176.600 -0.009 0.000 1.024 1148 K CA 0.094 56.376 56.287 -0.009 0.000 1.148 1148 K CB 0.308 32.803 32.500 -0.008 0.000 0.860 1148 K HN 0.199 nan 8.250 nan 0.000 0.515 1149 L N 0.509 121.727 121.223 -0.009 0.000 2.354 1149 L HA 0.339 4.685 4.340 0.009 0.000 0.269 1149 L C 0.076 176.940 176.870 -0.009 0.000 1.005 1149 L CA -0.954 53.881 54.840 -0.008 0.000 0.819 1149 L CB 2.031 44.087 42.059 -0.005 0.000 1.311 1149 L HN -0.013 nan 8.230 nan 0.000 0.423 1150 S N 0.562 116.256 115.700 -0.010 0.000 2.687 1150 S HA 0.543 5.018 4.470 0.009 0.000 0.283 1150 S C 0.989 175.584 174.600 -0.009 0.000 1.170 1150 S CA -0.116 58.079 58.200 -0.008 0.000 1.008 1150 S CB 1.796 64.991 63.200 -0.008 0.000 1.026 1150 S HN 0.721 nan 8.310 nan 0.000 0.541 1151 A N 1.458 124.279 122.820 0.002 0.000 1.948 1151 A HA -0.146 4.180 4.320 0.009 0.000 0.220 1151 A C 2.073 179.620 177.584 -0.061 0.000 1.177 1151 A CA 1.643 53.686 52.037 0.011 0.000 0.636 1151 A CB -0.813 18.212 19.000 0.041 0.000 0.815 1151 A HN 0.876 nan 8.150 nan 0.000 0.449 1152 K N -0.842 119.540 120.400 -0.031 0.000 2.167 1152 K HA -0.073 4.252 4.320 0.009 0.000 0.203 1152 K C 1.300 177.852 176.600 -0.080 0.000 1.052 1152 K CA 1.011 57.269 56.287 -0.047 0.000 0.956 1152 K CB -0.195 32.285 32.500 -0.033 0.000 0.735 1152 K HN 0.375 nan 8.250 nan 0.000 0.451 1153 D N 1.451 121.817 120.400 -0.056 0.000 2.123 1153 D HA -0.132 4.514 4.640 0.009 0.000 0.196 1153 D C 1.894 178.167 176.300 -0.044 0.000 0.992 1153 D CA 1.081 55.054 54.000 -0.046 0.000 0.833 1153 D CB -0.145 40.639 40.800 -0.026 0.000 0.954 1153 D HN 0.169 nan 8.370 nan 0.000 0.455 1154 I N -0.344 120.196 120.570 -0.050 0.000 2.252 1154 I HA -0.212 3.964 4.170 0.009 0.000 0.245 1154 I C 2.385 178.457 176.117 -0.075 0.000 1.102 1154 I CA 0.548 61.831 61.300 -0.029 0.000 1.385 1154 I CB -0.193 37.826 38.000 0.032 0.000 1.064 1154 I HN 0.125 nan 8.210 nan 0.000 0.414 1155 W N 2.514 123.422 121.300 -0.653 0.000 2.358 1155 W HA -0.207 4.459 4.660 0.010 0.000 0.303 1155 W C 2.259 178.569 176.519 -0.349 0.000 1.208 1155 W CA 1.576 58.372 57.345 -0.915 0.000 1.274 1155 W CB -0.909 27.805 29.460 -1.243 0.000 1.138 1155 W HN 0.145 nan 8.180 nan 0.000 0.515 1156 N N -0.882 117.771 118.700 -0.079 0.000 2.244 1156 N HA -0.141 4.604 4.740 0.009 0.000 0.183 1156 N C 1.744 177.246 175.510 -0.013 0.000 1.016 1156 N CA 2.365 55.349 53.050 -0.110 0.000 0.866 1156 N CB -0.368 38.045 38.487 -0.124 0.000 0.980 1156 N HN -0.047 nan 8.380 nan 0.000 0.430 1157 T N 0.276 114.842 114.554 0.019 0.000 2.708 1157 T HA -0.099 4.256 4.350 0.009 0.000 0.266 1157 T C 0.946 175.714 174.700 0.113 0.000 1.037 1157 T CA 1.359 63.492 62.100 0.056 0.000 1.146 1157 T CB -0.329 68.571 68.868 0.053 0.000 0.865 1157 T HN 0.266 nan 8.240 nan 0.000 0.435 1158 D N 1.120 121.617 120.400 0.163 0.000 2.144 1158 D HA 0.008 4.653 4.640 0.009 0.000 0.199 1158 D C 2.158 178.603 176.300 0.241 0.000 0.984 1158 D CA 0.614 54.761 54.000 0.245 0.000 0.834 1158 D CB -0.454 40.533 40.800 0.312 0.000 0.955 1158 D HN 0.299 nan 8.370 nan 0.000 0.465 1159 L N 0.791 122.128 121.223 0.191 0.000 2.017 1159 L HA -0.195 4.150 4.340 0.009 0.000 0.208 1159 L C 2.453 179.427 176.870 0.174 0.000 1.073 1159 L CA 1.433 56.359 54.840 0.143 0.000 0.745 1159 L CB -0.417 41.631 42.059 -0.018 0.000 0.894 1159 L HN 0.148 nan 8.230 nan 0.000 0.432 1160 K N 0.224 120.689 120.400 0.108 0.000 2.155 1160 K HA -0.056 4.270 4.320 0.009 0.000 0.203 1160 K C 2.059 178.726 176.600 0.113 0.000 1.052 1160 K CA 1.169 57.510 56.287 0.089 0.000 0.948 1160 K CB -0.327 32.199 32.500 0.045 0.000 0.728 1160 K HN 0.155 nan 8.250 nan 0.000 0.448 1161 A N 1.232 124.137 122.820 0.141 0.000 1.933 1161 A HA -0.093 4.233 4.320 0.009 0.000 0.218 1161 A C 1.982 179.665 177.584 0.164 0.000 1.175 1161 A CA 1.099 53.220 52.037 0.139 0.000 0.628 1161 A CB -0.736 18.360 19.000 0.159 0.000 0.814 1161 A HN 0.532 nan 8.150 nan 0.000 0.444 1162 F N 0.912 120.905 119.950 0.073 0.000 2.163 1162 F HA -0.083 4.450 4.527 0.009 0.000 0.297 1162 F C 2.066 177.918 175.800 0.087 0.000 1.094 1162 F CA 1.940 59.979 58.000 0.065 0.000 1.290 1162 F CB -0.204 38.818 39.000 0.036 0.000 1.017 1162 F HN 0.327 nan 8.300 nan 0.000 0.483 1163 E N 0.051 120.306 120.200 0.090 0.000 2.118 1163 E HA -0.190 4.166 4.350 0.009 0.000 0.195 1163 E C 2.281 178.866 176.600 -0.024 0.000 0.992 1163 E CA 1.644 58.056 56.400 0.019 0.000 0.804 1163 E CB -0.325 29.434 29.700 0.099 0.000 0.741 1163 E HN 0.331 nan 8.360 nan 0.000 0.458 1164 V N 0.591 120.500 119.914 -0.008 0.000 2.358 1164 V HA -0.169 3.956 4.120 0.009 0.000 0.246 1164 V C 2.316 178.387 176.094 -0.039 0.000 1.047 1164 V CA 1.953 64.247 62.300 -0.010 0.000 1.035 1164 V CB -0.880 30.950 31.823 0.012 0.000 0.658 1164 V HN 0.416 nan 8.190 nan 0.000 0.452 1165 G N -1.472 107.289 108.800 -0.065 0.000 2.408 1165 G HA2 -0.310 3.655 3.960 0.009 0.000 0.217 1165 G HA3 -0.310 3.655 3.960 0.009 0.000 0.217 1165 G C 1.562 176.403 174.900 -0.098 0.000 1.150 1165 G CA 0.937 45.995 45.100 -0.069 0.000 0.776 1165 G HN 0.545 nan 8.290 nan 0.000 0.542 1166 Y N 1.061 121.111 120.300 -0.417 0.000 2.224 1166 Y HA -0.127 4.428 4.550 0.009 0.000 0.289 1166 Y C 2.844 178.708 175.900 -0.061 0.000 1.146 1166 Y CA 1.970 59.839 58.100 -0.384 0.000 1.182 1166 Y CB -0.239 37.751 38.460 -0.782 0.000 0.983 1166 Y HN 0.284 nan 8.280 nan 0.000 0.524 1167 Q N 0.746 120.446 119.800 -0.166 0.000 2.079 1167 Q HA -0.170 4.175 4.340 0.009 0.000 0.200 1167 Q C 1.996 177.910 176.000 -0.144 0.000 0.974 1167 Q CA 2.266 57.962 55.803 -0.179 0.000 0.840 1167 Q CB -0.197 28.497 28.738 -0.072 0.000 0.898 1167 Q HN 0.654 nan 8.270 nan 0.000 0.430 1168 E N -0.741 119.412 120.200 -0.078 0.000 2.077 1168 E HA -0.188 4.167 4.350 0.009 0.000 0.193 1168 E C 1.740 178.310 176.600 -0.050 0.000 0.989 1168 E CA 1.090 57.462 56.400 -0.048 0.000 0.800 1168 E CB -0.380 29.313 29.700 -0.012 0.000 0.746 1168 E HN 0.412 nan 8.360 nan 0.000 0.452 1169 F N 1.869 121.709 119.950 -0.184 0.000 2.065 1169 F HA -0.223 4.309 4.527 0.009 0.000 0.298 1169 F C 1.954 177.639 175.800 -0.192 0.000 1.112 1169 F CA 1.434 59.323 58.000 -0.185 0.000 1.212 1169 F CB -0.283 38.591 39.000 -0.210 0.000 0.975 1169 F HN -0.097 nan 8.300 nan 0.000 0.476 1170 L N -0.017 120.943 121.223 -0.439 0.000 2.127 1170 L HA -0.261 4.084 4.340 0.009 0.000 0.211 1170 L C 2.536 179.220 176.870 -0.310 0.000 1.089 1170 L CA 1.580 56.144 54.840 -0.460 0.000 0.757 1170 L CB -0.801 41.043 42.059 -0.358 0.000 0.899 1170 L HN 0.343 nan 8.230 nan 0.000 0.434 1171 Q N -0.356 119.310 119.800 -0.223 0.000 2.016 1171 Q HA -0.178 4.167 4.340 0.009 0.000 0.200 1171 Q C 2.336 178.253 176.000 -0.139 0.000 0.978 1171 Q CA 1.299 57.019 55.803 -0.140 0.000 0.833 1171 Q CB -0.115 28.567 28.738 -0.093 0.000 0.895 1171 Q HN 0.407 nan 8.270 nan 0.000 0.427 1172 R N 0.674 121.084 120.500 -0.150 0.000 2.127 1172 R HA -0.187 4.159 4.340 0.009 0.000 0.238 1172 R C 1.851 178.070 176.300 -0.134 0.000 1.134 1172 R CA 1.690 57.724 56.100 -0.110 0.000 0.975 1172 R CB -0.205 30.055 30.300 -0.067 0.000 0.865 1172 R HN 0.332 nan 8.270 nan 0.000 0.447 1173 D N 0.074 120.308 120.400 -0.276 0.000 2.123 1173 D HA -0.079 4.566 4.640 0.009 0.000 0.200 1173 D C 1.773 178.005 176.300 -0.113 0.000 0.976 1173 D CA 1.280 55.144 54.000 -0.227 0.000 0.831 1173 D CB 0.042 40.556 40.800 -0.477 0.000 0.974 1173 D HN 0.229 nan 8.370 nan 0.000 0.469 1174 A N 0.089 122.838 122.820 -0.118 0.000 2.014 1174 A HA -0.081 4.244 4.320 0.009 0.000 0.218 1174 A C 2.037 179.598 177.584 -0.039 0.000 1.163 1174 A CA 1.040 53.043 52.037 -0.057 0.000 0.652 1174 A CB -0.488 18.482 19.000 -0.051 0.000 0.808 1174 A HN 0.283 nan 8.150 nan 0.000 0.449 1175 E N -0.288 119.882 120.200 -0.049 0.000 2.106 1175 E HA -0.063 4.292 4.350 0.009 0.000 0.192 1175 E C 1.630 178.220 176.600 -0.018 0.000 0.984 1175 E CA 0.913 57.295 56.400 -0.031 0.000 0.806 1175 E CB -0.144 29.536 29.700 -0.033 0.000 0.750 1175 E HN 0.564 nan 8.360 nan 0.000 0.458 1176 A N 0.917 123.726 122.820 -0.018 0.000 2.411 1176 A HA 0.162 4.488 4.320 0.009 0.000 0.251 1176 A C 0.609 178.195 177.584 0.004 0.000 1.317 1176 A CA -0.095 51.940 52.037 -0.004 0.000 0.904 1176 A CB -0.035 18.965 19.000 0.000 0.000 0.993 1176 A HN -0.004 nan 8.150 nan 0.000 0.504 1177 R N 0.000 120.502 120.500 0.004 0.000 2.786 1177 R HA 0.000 4.345 4.340 0.009 0.000 0.208 1177 R CA 0.000 56.111 56.100 0.017 0.000 0.921 1177 R CB 0.000 30.317 30.300 0.028 0.000 0.687 1177 R HN 0.000 nan 8.270 nan 0.000 0.535