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 1sky_1_E DATA FIRST_RESID 1 DATA SEQUENCE MTRGRVIQVM GPVVDVKFEN GHLPAIYNAL KIQHKARNEN EVDIDLTLEV DATA SEQUENCE ALHLGDDTVR TIAMASTDGL IRGMEVIDTG APISVPVGQV TLGRVFNVLG DATA SEQUENCE EPIDLEGDIP ADARRDPIHR PAPKFEELAT EVEILETGIK VVDLLAPYIK DATA SEQUENCE GGKIGLFGGA GVGKTVLIQE LIHNIAQEHG GISVFAGVGE RTREGNDLYH DATA SEQUENCE EMKDSGVISK TAMVFGQMNE PPGARMRVAL TGLTMAEYFR DEQGQDGLLF DATA SEQUENCE IDNIFRFTQA GSEVSALLGR MPSAIGYQPT LATEMGQLQE RITSTAKGSI DATA SEQUENCE TSIQAIYVPA DDYTDPAPAT TFSHLDATTN LERKLAEMGI YPAVDPLVST DATA SEQUENCE SRALAPEIVG EEHYQVARKV QQTLERYKEL QDIIAILGMD ELSDEDKLVV DATA SEQUENCE HRARRIQFFL SQNFHVAEQF TGQPGSYVPV KETVRGFKEI LEGKYDHLPE DATA SEQUENCE DRFRLVGRIE EVVEKAKAMG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.270 176.300 -0.050 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.036 0.000 1.302 2 T N -0.159 114.291 114.554 -0.173 0.000 3.535 2 T HA 0.436 4.786 4.350 -0.000 0.000 0.238 2 T C -0.082 174.644 174.700 0.043 0.000 0.909 2 T CA 0.019 61.857 62.100 -0.438 0.000 0.928 2 T CB -1.061 67.312 68.868 -0.826 0.000 1.134 2 T HN 0.418 nan 8.240 nan 0.000 0.627 3 R N 0.703 121.271 120.500 0.112 0.000 2.265 3 R HA 0.599 4.939 4.340 -0.000 0.000 0.328 3 R C 0.850 177.070 176.300 -0.134 0.000 0.969 3 R CA -0.567 55.564 56.100 0.051 0.000 0.832 3 R CB 1.508 31.805 30.300 -0.005 0.000 1.139 3 R HN 0.500 nan 8.270 nan 0.000 0.457 4 G N 1.805 110.241 108.800 -0.607 0.000 2.557 4 G HA2 0.534 4.494 3.960 -0.000 0.000 0.302 4 G HA3 0.534 4.494 3.960 -0.000 0.000 0.302 4 G C -0.811 173.779 174.900 -0.516 0.000 1.311 4 G CA -0.730 43.695 45.100 -1.126 0.000 1.030 4 G HN 0.603 nan 8.290 nan 0.000 0.509 5 R N -1.534 118.723 120.500 -0.405 0.000 2.651 5 R HA 0.544 4.884 4.340 -0.000 0.000 0.278 5 R C -1.513 174.687 176.300 -0.166 0.000 1.010 5 R CA -0.803 55.171 56.100 -0.211 0.000 0.896 5 R CB 1.627 31.844 30.300 -0.137 0.000 1.211 5 R HN 0.296 nan 8.270 nan 0.000 0.456 6 V N 4.370 124.215 119.914 -0.116 0.000 2.529 6 V HA -0.019 4.101 4.120 -0.000 0.000 0.292 6 V C 1.108 177.162 176.094 -0.068 0.000 1.028 6 V CA 0.148 62.398 62.300 -0.084 0.000 1.074 6 V CB 0.703 32.485 31.823 -0.070 0.000 0.958 6 V HN 0.759 nan 8.190 nan 0.000 0.481 7 I N 3.024 123.561 120.570 -0.054 0.000 3.039 7 I HA 0.206 4.376 4.170 -0.000 0.000 0.270 7 I C 0.885 176.984 176.117 -0.029 0.000 1.150 7 I CA 0.956 62.232 61.300 -0.040 0.000 1.448 7 I CB 0.100 38.080 38.000 -0.033 0.000 1.197 7 I HN 0.651 nan 8.210 nan 0.000 0.450 8 Q N -0.417 119.369 119.800 -0.024 0.000 2.501 8 Q HA 0.595 4.935 4.340 -0.000 0.000 0.288 8 Q C -1.385 174.606 176.000 -0.015 0.000 1.051 8 Q CA -0.406 55.386 55.803 -0.018 0.000 0.788 8 Q CB 3.735 32.467 28.738 -0.011 0.000 1.469 8 Q HN -0.160 nan 8.270 nan 0.000 0.416 9 V N 2.277 122.184 119.914 -0.012 0.000 2.498 9 V HA 0.330 4.450 4.120 -0.000 0.000 0.283 9 V C -1.123 174.968 176.094 -0.004 0.000 1.015 9 V CA -0.533 61.762 62.300 -0.009 0.000 0.867 9 V CB 1.443 33.257 31.823 -0.014 0.000 1.025 9 V HN 0.711 nan 8.190 nan 0.000 0.441 10 M N 3.610 123.210 119.600 0.001 0.000 2.268 10 M HA 0.508 4.988 4.480 -0.000 0.000 0.340 10 M C 1.097 177.401 176.300 0.006 0.000 1.099 10 M CA 0.217 55.519 55.300 0.003 0.000 1.053 10 M CB 0.134 32.736 32.600 0.004 0.000 1.284 10 M HN 0.862 nan 8.290 nan 0.000 0.410 11 G N 5.063 113.866 108.800 0.005 0.000 2.651 11 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.315 11 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.315 11 G C -1.532 173.376 174.900 0.013 0.000 1.258 11 G CA 0.222 45.327 45.100 0.009 0.000 1.002 11 G HN 0.470 nan 8.290 nan 0.000 0.551 12 P HA 0.192 nan 4.420 nan 0.000 0.233 12 P C 0.654 177.970 177.300 0.026 0.000 1.167 12 P CA 0.746 63.860 63.100 0.024 0.000 0.770 12 P CB 0.112 31.829 31.700 0.028 0.000 0.837 13 V N 1.448 121.374 119.914 0.021 0.000 2.461 13 V HA 0.164 4.284 4.120 -0.000 0.000 0.275 13 V C 0.279 176.383 176.094 0.017 0.000 1.047 13 V CA -0.217 62.097 62.300 0.023 0.000 0.955 13 V CB 1.780 33.615 31.823 0.019 0.000 0.988 13 V HN -0.193 nan 8.190 nan 0.000 0.471 14 V N 4.477 124.404 119.914 0.021 0.000 2.577 14 V HA 0.457 4.577 4.120 -0.000 0.000 0.303 14 V C -0.809 175.294 176.094 0.016 0.000 1.042 14 V CA -0.885 61.423 62.300 0.013 0.000 0.872 14 V CB 2.209 34.040 31.823 0.012 0.000 0.998 14 V HN 0.788 nan 8.190 nan 0.000 0.423 15 D N 2.896 123.299 120.400 0.005 0.000 2.177 15 D HA 0.632 5.272 4.640 -0.000 0.000 0.247 15 D C -0.562 175.733 176.300 -0.007 0.000 1.063 15 D CA -0.006 53.997 54.000 0.005 0.000 0.867 15 D CB 2.262 43.062 40.800 -0.001 0.000 1.168 15 D HN 0.265 nan 8.370 nan 0.000 0.445 16 V N 1.954 121.872 119.914 0.006 0.000 2.656 16 V HA 0.376 4.496 4.120 -0.000 0.000 0.307 16 V C -0.050 176.029 176.094 -0.026 0.000 1.051 16 V CA -0.970 61.304 62.300 -0.044 0.000 0.893 16 V CB 2.224 34.030 31.823 -0.028 0.000 0.999 16 V HN 0.331 nan 8.190 nan 0.000 0.426 17 K N 2.952 123.282 120.400 -0.118 0.000 2.206 17 K HA 0.652 4.972 4.320 -0.000 0.000 0.264 17 K C -1.686 174.822 176.600 -0.154 0.000 0.967 17 K CA -0.368 55.887 56.287 -0.054 0.000 0.844 17 K CB 1.026 33.496 32.500 -0.050 0.000 1.099 17 K HN 0.461 nan 8.250 nan 0.000 0.441 18 F N 2.523 122.456 119.950 -0.029 0.000 2.436 18 F HA 0.311 4.838 4.527 -0.000 0.000 0.340 18 F C 0.517 176.329 175.800 0.019 0.000 1.113 18 F CA -0.493 57.515 58.000 0.013 0.000 1.022 18 F CB 1.716 40.723 39.000 0.011 0.000 1.128 18 F HN 0.545 nan 8.300 nan 0.000 0.466 19 E N 1.279 121.585 120.200 0.177 0.000 2.359 19 E HA 0.189 4.539 4.350 -0.000 0.000 0.255 19 E C -0.029 176.661 176.600 0.150 0.000 1.191 19 E CA -0.637 55.833 56.400 0.116 0.000 0.952 19 E CB 0.310 30.046 29.700 0.059 0.000 1.152 19 E HN 0.562 nan 8.360 nan 0.000 0.496 20 N N 0.171 118.928 118.700 0.095 0.000 2.696 20 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 20 N C 0.138 175.710 175.510 0.103 0.000 1.090 20 N CA 0.376 53.477 53.050 0.086 0.000 0.716 20 N CB -1.139 37.395 38.487 0.077 0.000 1.020 20 N HN 0.900 nan 8.380 nan 0.000 0.548 21 G N 0.344 109.202 108.800 0.097 0.000 2.412 21 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.297 21 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.297 21 G C 0.708 175.660 174.900 0.086 0.000 0.965 21 G CA 1.140 46.282 45.100 0.071 0.000 1.134 21 G HN 0.884 nan 8.290 nan 0.000 0.511 22 H N 0.047 119.128 119.070 0.018 0.000 2.355 22 H HA 0.148 4.704 4.556 -0.000 0.000 0.303 22 H C 1.406 176.636 175.328 -0.164 0.000 1.061 22 H CA 0.714 56.737 56.048 -0.041 0.000 1.368 22 H CB 0.021 29.794 29.762 0.018 0.000 1.412 22 H HN 0.368 nan 8.280 nan 0.000 0.523 23 L N 2.679 123.502 121.223 -0.666 0.000 3.325 23 L HA -0.130 4.210 4.340 -0.000 0.000 0.562 23 L C -2.369 173.983 176.870 -0.864 0.000 1.004 23 L CA 0.236 54.609 54.840 -0.777 0.000 1.212 23 L CB -0.756 41.103 42.059 -0.333 0.000 1.097 23 L HN 0.444 nan 8.230 nan 0.000 0.613 24 P HA 0.251 nan 4.420 nan 0.000 0.275 24 P C -0.030 177.162 177.300 -0.179 0.000 1.227 24 P CA -0.309 62.443 63.100 -0.581 0.000 0.781 24 P CB 1.048 32.444 31.700 -0.508 0.000 0.906 25 A N 4.055 126.818 122.820 -0.094 0.000 2.366 25 A HA 0.208 4.528 4.320 -0.000 0.000 0.250 25 A C 0.643 178.191 177.584 -0.058 0.000 1.099 25 A CA -0.456 51.544 52.037 -0.061 0.000 0.794 25 A CB -0.448 18.492 19.000 -0.100 0.000 1.056 25 A HN 0.557 nan 8.150 nan 0.000 0.499 26 I N 0.196 120.636 120.570 -0.217 0.000 2.618 26 I HA 0.135 4.305 4.170 -0.000 0.000 0.284 26 I C -0.154 175.745 176.117 -0.362 0.000 1.146 26 I CA 1.033 62.126 61.300 -0.346 0.000 1.425 26 I CB -0.120 37.523 38.000 -0.595 0.000 1.383 26 I HN 0.693 nan 8.210 nan 0.000 0.562 27 Y N 1.927 122.144 120.300 -0.137 0.000 4.839 27 Y HA -0.266 4.284 4.550 0.000 0.000 0.288 27 Y C 0.784 176.626 175.900 -0.097 0.000 0.883 27 Y CA -0.129 57.831 58.100 -0.233 0.000 1.671 27 Y CB -2.221 35.957 38.460 -0.470 0.000 1.041 27 Y HN 0.608 nan 8.280 nan 0.000 0.450 28 N N 0.832 119.580 118.700 0.079 0.000 2.508 28 N HA 0.498 5.238 4.740 -0.000 0.000 0.264 28 N C 0.355 175.915 175.510 0.083 0.000 1.216 28 N CA 0.672 53.763 53.050 0.068 0.000 0.943 28 N CB 0.820 39.322 38.487 0.025 0.000 1.113 28 N HN 0.342 nan 8.380 nan 0.000 0.447 29 A N 2.975 125.847 122.820 0.086 0.000 2.327 29 A HA 0.509 4.829 4.320 -0.000 0.000 0.283 29 A C -0.455 177.190 177.584 0.102 0.000 1.127 29 A CA -0.349 51.742 52.037 0.090 0.000 0.810 29 A CB 0.339 19.386 19.000 0.078 0.000 1.066 29 A HN 0.619 nan 8.150 nan 0.000 0.492 30 L N 2.236 123.525 121.223 0.109 0.000 2.372 30 L HA 0.438 4.777 4.340 -0.000 0.000 0.274 30 L C -0.380 176.549 176.870 0.100 0.000 0.988 30 L CA -0.705 54.216 54.840 0.134 0.000 0.833 30 L CB 1.939 44.098 42.059 0.166 0.000 1.236 30 L HN 0.588 nan 8.230 nan 0.000 0.410 31 K N 3.345 123.800 120.400 0.092 0.000 2.130 31 K HA 0.653 4.973 4.320 -0.000 0.000 0.268 31 K C -0.806 175.831 176.600 0.062 0.000 0.983 31 K CA -0.067 56.261 56.287 0.069 0.000 0.893 31 K CB 1.565 34.101 32.500 0.060 0.000 1.066 31 K HN 0.417 nan 8.250 nan 0.000 0.450 32 I N 3.570 124.172 120.570 0.053 0.000 2.382 32 I HA 0.226 4.396 4.170 -0.000 0.000 0.285 32 I C -0.699 175.455 176.117 0.061 0.000 1.007 32 I CA -0.536 60.794 61.300 0.049 0.000 1.142 32 I CB 1.547 39.567 38.000 0.033 0.000 1.289 32 I HN 0.370 nan 8.210 nan 0.000 0.453 33 Q N 5.375 125.217 119.800 0.070 0.000 2.464 33 Q HA 0.341 4.681 4.340 -0.000 0.000 0.256 33 Q C -0.989 175.070 176.000 0.098 0.000 1.020 33 Q CA -0.537 55.307 55.803 0.069 0.000 0.716 33 Q CB 1.873 30.637 28.738 0.043 0.000 1.230 33 Q HN 0.551 nan 8.270 nan 0.000 0.494 34 H N 1.408 120.480 119.070 0.003 0.000 2.495 34 H HA 0.392 4.948 4.556 -0.000 0.000 0.348 34 H C -0.988 174.341 175.328 0.001 0.000 1.113 34 H CA -0.627 55.421 56.048 -0.000 0.000 1.195 34 H CB 1.030 30.790 29.762 -0.003 0.000 1.521 34 H HN 0.144 nan 8.280 nan 0.000 0.509 35 K N 3.413 123.553 120.400 -0.435 0.000 2.206 35 K HA 0.437 4.757 4.320 -0.000 0.000 0.264 35 K C -0.634 175.732 176.600 -0.391 0.000 0.967 35 K CA -0.881 55.249 56.287 -0.262 0.000 0.844 35 K CB 1.904 34.294 32.500 -0.183 0.000 1.099 35 K HN 0.747 nan 8.250 nan 0.000 0.441 36 A N 3.490 126.270 122.820 -0.067 0.000 2.545 36 A HA -0.028 4.292 4.320 -0.000 0.000 0.253 36 A C 1.291 178.861 177.584 -0.024 0.000 1.074 36 A CA 0.057 52.118 52.037 0.041 0.000 0.760 36 A CB 0.009 19.051 19.000 0.070 0.000 1.005 36 A HN 0.850 nan 8.150 nan 0.000 0.506 37 R N 2.574 123.080 120.500 0.011 0.000 2.299 37 R HA 0.022 4.362 4.340 -0.000 0.000 0.197 37 R C -0.024 176.283 176.300 0.011 0.000 0.971 37 R CA 0.936 57.031 56.100 -0.010 0.000 1.030 37 R CB -0.337 29.965 30.300 0.003 0.000 0.932 37 R HN 0.894 nan 8.270 nan 0.000 0.477 38 N N 0.067 118.784 118.700 0.028 0.000 3.179 38 N HA -0.063 4.677 4.740 -0.000 0.000 0.250 38 N C -0.120 175.404 175.510 0.024 0.000 1.507 38 N CA -0.673 52.390 53.050 0.021 0.000 0.883 38 N CB 0.652 39.152 38.487 0.021 0.000 1.435 38 N HN -0.052 nan 8.380 nan 0.000 0.532 39 E N 0.263 120.473 120.200 0.017 0.000 2.472 39 E HA -0.100 4.250 4.350 -0.000 0.000 0.200 39 E C -0.255 176.355 176.600 0.017 0.000 1.046 39 E CA 0.984 57.393 56.400 0.015 0.000 0.871 39 E CB -0.493 29.213 29.700 0.010 0.000 0.806 39 E HN 0.449 nan 8.360 nan 0.000 0.533 40 N N 0.953 119.665 118.700 0.020 0.000 2.268 40 N HA 0.130 4.870 4.740 -0.000 0.000 0.204 40 N C -0.324 175.200 175.510 0.023 0.000 1.124 40 N CA 0.124 53.185 53.050 0.018 0.000 0.838 40 N CB 0.685 39.180 38.487 0.014 0.000 0.994 40 N HN 0.363 nan 8.380 nan 0.000 0.489 41 E N -0.697 119.525 120.200 0.036 0.000 2.431 41 E HA 0.598 4.948 4.350 -0.000 0.000 0.268 41 E C -0.835 175.798 176.600 0.055 0.000 0.953 41 E CA -0.948 55.483 56.400 0.051 0.000 0.810 41 E CB 2.362 32.123 29.700 0.101 0.000 1.369 41 E HN -0.281 nan 8.360 nan 0.000 0.440 42 V N 0.568 120.523 119.914 0.068 0.000 3.102 42 V HA 0.243 4.363 4.120 -0.000 0.000 0.312 42 V C -1.043 175.117 176.094 0.109 0.000 1.135 42 V CA -1.000 61.338 62.300 0.064 0.000 1.022 42 V CB 2.217 34.062 31.823 0.037 0.000 1.056 42 V HN 0.581 nan 8.190 nan 0.000 0.436 43 D N 2.393 122.842 120.400 0.082 0.000 2.312 43 D HA 0.398 5.038 4.640 -0.000 0.000 0.252 43 D C -0.611 175.741 176.300 0.086 0.000 1.150 43 D CA 0.067 54.123 54.000 0.092 0.000 0.870 43 D CB 1.196 42.024 40.800 0.047 0.000 1.153 43 D HN 0.116 nan 8.370 nan 0.000 0.457 44 I N 2.064 122.705 120.570 0.119 0.000 2.441 44 I HA 0.253 4.423 4.170 -0.000 0.000 0.295 44 I C -0.225 175.938 176.117 0.075 0.000 0.994 44 I CA -0.572 60.778 61.300 0.083 0.000 1.144 44 I CB 1.735 39.776 38.000 0.067 0.000 1.314 44 I HN 0.298 nan 8.210 nan 0.000 0.445 45 D N 6.264 126.696 120.400 0.053 0.000 2.478 45 D HA 0.552 5.192 4.640 -0.000 0.000 0.240 45 D C -1.816 174.509 176.300 0.042 0.000 1.364 45 D CA -0.200 53.828 54.000 0.047 0.000 0.987 45 D CB 1.039 41.862 40.800 0.040 0.000 1.328 45 D HN 0.313 nan 8.370 nan 0.000 0.584 46 L N 3.129 124.378 121.223 0.043 0.000 2.482 46 L HA 0.712 5.052 4.340 -0.000 0.000 0.263 46 L C -1.031 175.868 176.870 0.047 0.000 0.957 46 L CA -0.250 54.615 54.840 0.042 0.000 0.836 46 L CB 2.215 44.295 42.059 0.035 0.000 1.324 46 L HN 0.435 nan 8.230 nan 0.000 0.406 47 T N 2.827 117.410 114.554 0.050 0.000 2.824 47 T HA 0.794 5.144 4.350 -0.000 0.000 0.280 47 T C -0.554 174.184 174.700 0.062 0.000 0.995 47 T CA -0.626 61.508 62.100 0.058 0.000 1.009 47 T CB 0.928 69.829 68.868 0.056 0.000 0.955 47 T HN 0.566 nan 8.240 nan 0.000 0.452 48 L N 2.024 123.290 121.223 0.072 0.000 2.385 48 L HA 0.595 4.935 4.340 -0.000 0.000 0.273 48 L C 0.022 176.946 176.870 0.090 0.000 0.990 48 L CA -1.029 53.856 54.840 0.076 0.000 0.821 48 L CB 2.068 44.171 42.059 0.074 0.000 1.279 48 L HN 0.746 nan 8.230 nan 0.000 0.412 49 E N 2.156 122.413 120.200 0.095 0.000 2.146 49 E HA 0.359 4.709 4.350 -0.000 0.000 0.282 49 E C -0.891 175.771 176.600 0.104 0.000 0.989 49 E CA -0.761 55.707 56.400 0.112 0.000 0.799 49 E CB 1.772 31.555 29.700 0.139 0.000 1.088 49 E HN 0.392 nan 8.360 nan 0.000 0.397 50 V N 4.188 124.157 119.914 0.091 0.000 2.599 50 V HA 0.030 4.150 4.120 -0.000 0.000 0.300 50 V C 0.915 177.039 176.094 0.050 0.000 1.034 50 V CA 1.104 63.443 62.300 0.065 0.000 1.115 50 V CB 0.908 32.756 31.823 0.042 0.000 0.934 50 V HN 0.919 nan 8.190 nan 0.000 0.485 51 A N 5.363 128.209 122.820 0.044 0.000 1.999 51 A HA 0.622 4.942 4.320 -0.000 0.000 0.200 51 A C 0.373 177.950 177.584 -0.011 0.000 1.363 51 A CA 0.380 52.431 52.037 0.023 0.000 0.844 51 A CB 0.278 19.309 19.000 0.052 0.000 0.954 51 A HN 0.624 nan 8.150 nan 0.000 0.481 52 L N -2.209 119.042 121.223 0.046 0.000 2.630 52 L HA 0.438 4.778 4.340 -0.000 0.000 0.258 52 L C -0.966 176.036 176.870 0.220 0.000 1.072 52 L CA -0.874 54.011 54.840 0.076 0.000 0.885 52 L CB 1.596 43.675 42.059 0.033 0.000 1.502 52 L HN 0.211 nan 8.230 nan 0.000 0.406 53 H N 1.694 120.724 119.070 -0.067 0.000 2.718 53 H HA 0.366 4.922 4.556 -0.000 0.000 0.295 53 H C 0.050 175.356 175.328 -0.036 0.000 1.051 53 H CA -0.432 55.583 56.048 -0.056 0.000 1.260 53 H CB 1.436 31.153 29.762 -0.076 0.000 1.403 53 H HN 0.423 nan 8.280 nan 0.000 0.488 54 L N 2.349 123.594 121.223 0.038 0.000 2.599 54 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 54 L C 1.196 178.074 176.870 0.014 0.000 1.141 54 L CA 0.318 55.171 54.840 0.021 0.000 0.877 54 L CB -0.243 41.821 42.059 0.008 0.000 1.009 54 L HN 0.800 nan 8.230 nan 0.000 0.447 55 G N 0.058 108.865 108.800 0.012 0.000 2.661 55 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.685 55 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.685 55 G C -0.078 174.821 174.900 -0.003 0.000 1.298 55 G CA -0.379 44.726 45.100 0.008 0.000 0.855 55 G HN 0.235 nan 8.290 nan 0.000 0.560 56 D N 0.278 120.679 120.400 0.001 0.000 2.708 56 D HA -0.139 4.501 4.640 -0.000 0.000 0.236 56 D C 0.652 176.953 176.300 0.002 0.000 1.146 56 D CA 2.166 56.167 54.000 0.002 0.000 0.662 56 D CB -1.021 39.780 40.800 0.001 0.000 1.059 56 D HN 1.180 nan 8.370 nan 0.000 0.428 57 D N -0.655 119.743 120.400 -0.004 0.000 2.708 57 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 57 D C -0.260 176.048 176.300 0.012 0.000 1.146 57 D CA 1.488 55.489 54.000 0.002 0.000 0.662 57 D CB -1.595 39.230 40.800 0.040 0.000 1.059 57 D HN 0.333 nan 8.370 nan 0.000 0.428 58 T N -0.615 113.920 114.554 -0.032 0.000 2.876 58 T HA 0.606 4.956 4.350 -0.000 0.000 0.289 58 T C 0.107 174.753 174.700 -0.089 0.000 1.014 58 T CA -0.743 61.345 62.100 -0.020 0.000 0.986 58 T CB 2.705 71.566 68.868 -0.011 0.000 1.021 58 T HN 0.101 nan 8.240 nan 0.000 0.458 59 V N 1.324 121.207 119.914 -0.051 0.000 2.540 59 V HA 0.734 4.854 4.120 -0.000 0.000 0.302 59 V C -0.238 175.858 176.094 0.004 0.000 1.035 59 V CA -1.319 60.931 62.300 -0.084 0.000 0.873 59 V CB 1.479 33.237 31.823 -0.109 0.000 0.992 59 V HN 0.858 nan 8.190 nan 0.000 0.428 60 R N 2.735 123.244 120.500 0.014 0.000 2.308 60 R HA 0.651 4.991 4.340 -0.000 0.000 0.305 60 R C -0.283 176.041 176.300 0.040 0.000 1.053 60 R CA 0.122 56.238 56.100 0.026 0.000 0.957 60 R CB 1.263 31.577 30.300 0.024 0.000 1.022 60 R HN 0.950 nan 8.270 nan 0.000 0.461 61 T N 4.987 119.568 114.554 0.044 0.000 2.908 61 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 61 T C -0.606 174.126 174.700 0.053 0.000 1.034 61 T CA -0.641 61.493 62.100 0.057 0.000 1.010 61 T CB 0.814 69.722 68.868 0.066 0.000 1.068 61 T HN 0.511 nan 8.240 nan 0.000 0.481 62 I N 2.561 123.169 120.570 0.065 0.000 2.362 62 I HA 0.578 4.748 4.170 -0.000 0.000 0.289 62 I C 0.485 176.640 176.117 0.063 0.000 0.994 62 I CA -1.047 60.290 61.300 0.062 0.000 1.158 62 I CB 1.481 39.525 38.000 0.074 0.000 1.315 62 I HN 0.607 nan 8.210 nan 0.000 0.451 63 A N 7.057 129.908 122.820 0.052 0.000 2.388 63 A HA 0.442 4.762 4.320 -0.000 0.000 0.257 63 A C 0.917 178.532 177.584 0.053 0.000 1.095 63 A CA -0.323 51.743 52.037 0.049 0.000 0.791 63 A CB 0.477 19.500 19.000 0.038 0.000 1.029 63 A HN 0.787 nan 8.150 nan 0.000 0.489 64 M N 0.942 120.574 119.600 0.054 0.000 2.561 64 M HA 0.189 4.669 4.480 -0.000 0.000 0.238 64 M C 0.820 177.150 176.300 0.049 0.000 1.131 64 M CA 0.867 56.200 55.300 0.055 0.000 1.046 64 M CB -1.303 31.331 32.600 0.057 0.000 1.532 64 M HN 0.831 nan 8.290 nan 0.000 0.497 65 A N -0.560 122.286 122.820 0.044 0.000 2.686 65 A HA 0.639 4.959 4.320 -0.000 0.000 0.263 65 A C -0.356 177.248 177.584 0.034 0.000 1.264 65 A CA -0.525 51.536 52.037 0.039 0.000 0.799 65 A CB 0.476 19.498 19.000 0.038 0.000 1.363 65 A HN 0.098 nan 8.150 nan 0.000 0.507 66 S N -0.612 115.105 115.700 0.029 0.000 2.565 66 S HA 0.385 4.855 4.470 -0.000 0.000 0.274 66 S C 1.045 175.656 174.600 0.019 0.000 1.309 66 S CA 0.313 58.527 58.200 0.024 0.000 1.043 66 S CB 0.428 63.640 63.200 0.021 0.000 0.939 66 S HN 1.050 nan 8.310 nan 0.000 0.504 67 T N 1.001 115.564 114.554 0.015 0.000 3.129 67 T HA 0.150 4.500 4.350 -0.000 0.000 0.251 67 T C -0.029 174.672 174.700 0.001 0.000 1.117 67 T CA -0.365 61.740 62.100 0.008 0.000 1.034 67 T CB -0.359 68.513 68.868 0.007 0.000 0.968 67 T HN 0.523 nan 8.240 nan 0.000 0.526 68 D N 2.170 122.573 120.400 0.004 0.000 2.531 68 D HA 0.353 4.993 4.640 -0.000 0.000 0.239 68 D C 1.496 177.794 176.300 -0.004 0.000 1.144 68 D CA 1.713 55.714 54.000 0.001 0.000 0.869 68 D CB 0.411 41.214 40.800 0.006 0.000 1.160 68 D HN 0.483 nan 8.370 nan 0.000 0.484 69 G N 1.917 110.709 108.800 -0.013 0.000 2.201 69 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.212 69 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.212 69 G C 0.426 175.295 174.900 -0.051 0.000 0.994 69 G CA -0.423 44.664 45.100 -0.022 0.000 0.644 69 G HN 0.466 nan 8.290 nan 0.000 0.508 70 L N 1.137 122.331 121.223 -0.049 0.000 2.456 70 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 70 L C 0.664 177.482 176.870 -0.085 0.000 1.189 70 L CA 0.154 54.950 54.840 -0.074 0.000 0.846 70 L CB 0.741 42.771 42.059 -0.049 0.000 1.111 70 L HN 0.107 nan 8.230 nan 0.000 0.475 71 I N 2.839 123.335 120.570 -0.123 0.000 2.466 71 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 71 I C 0.001 176.061 176.117 -0.094 0.000 1.026 71 I CA -0.806 60.429 61.300 -0.108 0.000 1.078 71 I CB 1.910 39.825 38.000 -0.142 0.000 1.249 71 I HN 0.560 nan 8.210 nan 0.000 0.429 72 R N 4.057 124.519 120.500 -0.064 0.000 2.486 72 R HA 0.199 4.539 4.340 -0.000 0.000 0.303 72 R C 1.046 177.311 176.300 -0.059 0.000 0.958 72 R CA 1.223 57.290 56.100 -0.055 0.000 1.077 72 R CB 0.026 30.302 30.300 -0.040 0.000 0.921 72 R HN 1.073 nan 8.270 nan 0.000 0.406 73 G N 2.411 111.173 108.800 -0.064 0.000 2.316 73 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.203 73 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.203 73 G C 0.305 175.169 174.900 -0.061 0.000 0.999 73 G CA -0.551 44.514 45.100 -0.057 0.000 0.649 73 G HN 0.483 nan 8.290 nan 0.000 0.489 74 M N 2.104 121.651 119.600 -0.087 0.000 2.245 74 M HA 0.293 4.773 4.480 -0.000 0.000 0.335 74 M C 0.964 177.234 176.300 -0.050 0.000 1.155 74 M CA 0.777 56.028 55.300 -0.082 0.000 1.055 74 M CB 0.261 32.770 32.600 -0.152 0.000 1.670 74 M HN 0.539 nan 8.290 nan 0.000 0.447 75 E N 1.824 122.020 120.200 -0.007 0.000 2.301 75 E HA 0.507 4.857 4.350 -0.000 0.000 0.275 75 E C -1.408 175.168 176.600 -0.040 0.000 1.030 75 E CA -0.926 55.449 56.400 -0.041 0.000 0.852 75 E CB 1.099 30.786 29.700 -0.021 0.000 1.060 75 E HN 0.393 nan 8.360 nan 0.000 0.401 76 V N 4.212 124.068 119.914 -0.096 0.000 2.628 76 V HA 0.434 4.554 4.120 -0.000 0.000 0.306 76 V C -0.061 176.033 176.094 0.001 0.000 1.045 76 V CA -0.782 61.486 62.300 -0.052 0.000 0.905 76 V CB 1.373 33.135 31.823 -0.101 0.000 0.997 76 V HN 0.667 nan 8.190 nan 0.000 0.436 77 I N 2.392 123.017 120.570 0.091 0.000 2.530 77 I HA 0.426 4.596 4.170 -0.000 0.000 0.297 77 I C -0.818 175.433 176.117 0.223 0.000 1.011 77 I CA -0.567 60.819 61.300 0.144 0.000 1.107 77 I CB 2.082 40.133 38.000 0.085 0.000 1.285 77 I HN 0.548 nan 8.210 nan 0.000 0.436 78 D N 2.890 123.460 120.400 0.284 0.000 2.280 78 D HA 0.137 4.777 4.640 -0.000 0.000 0.243 78 D C 1.112 177.496 176.300 0.140 0.000 1.129 78 D CA -0.328 53.827 54.000 0.258 0.000 0.848 78 D CB 1.440 42.472 40.800 0.387 0.000 1.107 78 D HN 0.680 nan 8.370 nan 0.000 0.471 79 T N 0.986 115.606 114.554 0.109 0.000 3.055 79 T HA 0.182 4.532 4.350 -0.000 0.000 0.265 79 T C 1.627 176.365 174.700 0.063 0.000 1.111 79 T CA 0.752 62.896 62.100 0.073 0.000 1.118 79 T CB -0.144 68.762 68.868 0.063 0.000 0.909 79 T HN 0.688 nan 8.240 nan 0.000 0.501 80 G N 1.141 109.985 108.800 0.074 0.000 2.268 80 G HA2 0.028 3.988 3.960 -0.000 0.000 0.240 80 G HA3 0.028 3.988 3.960 -0.000 0.000 0.240 80 G C 0.241 175.169 174.900 0.046 0.000 1.010 80 G CA -0.155 44.981 45.100 0.061 0.000 0.618 80 G HN 1.369 nan 8.290 nan 0.000 0.516 81 A N 0.616 123.465 122.820 0.048 0.000 2.479 81 A HA 0.940 5.260 4.320 -0.000 0.000 0.296 81 A C -2.665 174.955 177.584 0.061 0.000 1.121 81 A CA -0.976 51.089 52.037 0.046 0.000 0.743 81 A CB 2.013 21.033 19.000 0.034 0.000 1.323 81 A HN 0.188 nan 8.150 nan 0.000 0.415 82 P HA 0.242 nan 4.420 nan 0.000 0.274 82 P C -0.247 177.101 177.300 0.080 0.000 1.256 82 P CA -0.197 62.968 63.100 0.108 0.000 0.795 82 P CB 0.347 32.144 31.700 0.162 0.000 1.038 83 I N 0.598 121.221 120.570 0.089 0.000 2.978 83 I HA -0.103 4.067 4.170 -0.000 0.000 0.293 83 I C 0.791 176.909 176.117 0.001 0.000 1.218 83 I CA 1.128 62.453 61.300 0.042 0.000 1.393 83 I CB -0.708 37.315 38.000 0.037 0.000 1.394 83 I HN 0.194 nan 8.210 nan 0.000 0.541 84 S N 5.988 121.680 115.700 -0.013 0.000 2.565 84 S HA 0.691 5.161 4.470 -0.000 0.000 0.290 84 S C -0.217 174.337 174.600 -0.077 0.000 1.150 84 S CA -0.750 57.423 58.200 -0.044 0.000 1.058 84 S CB 2.069 65.250 63.200 -0.032 0.000 1.032 84 S HN 0.494 nan 8.310 nan 0.000 0.510 85 V N -0.037 119.805 119.914 -0.121 0.000 2.925 85 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 85 V C -3.203 172.759 176.094 -0.220 0.000 1.104 85 V CA -3.132 59.061 62.300 -0.178 0.000 0.954 85 V CB 1.254 32.940 31.823 -0.229 0.000 1.022 85 V HN 0.505 nan 8.190 nan 0.000 0.427 86 P HA 0.269 nan 4.420 nan 0.000 0.264 86 P C -0.507 176.604 177.300 -0.315 0.000 1.183 86 P CA 0.360 63.315 63.100 -0.241 0.000 0.763 86 P CB 0.651 32.238 31.700 -0.188 0.000 0.807 87 V N 0.732 120.428 119.914 -0.363 0.000 2.925 87 V HA 1.007 5.127 4.120 -0.000 0.000 0.311 87 V C 0.175 175.839 176.094 -0.717 0.000 1.104 87 V CA -0.131 61.853 62.300 -0.527 0.000 0.954 87 V CB 1.488 32.924 31.823 -0.646 0.000 1.022 87 V HN 0.914 nan 8.190 nan 0.000 0.427 88 G N 2.539 110.955 108.800 -0.639 0.000 2.318 88 G HA2 0.018 3.978 3.960 -0.000 0.000 0.367 88 G HA3 0.018 3.978 3.960 -0.000 0.000 0.367 88 G C -0.015 175.045 174.900 0.266 0.000 1.260 88 G CA 0.098 45.024 45.100 -0.291 0.000 1.055 88 G HN 0.875 nan 8.290 nan 0.000 0.484 89 Q N -0.362 119.624 119.800 0.310 0.000 2.224 89 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 89 Q C 2.851 178.972 176.000 0.200 0.000 0.970 89 Q CA 1.881 57.859 55.803 0.293 0.000 0.865 89 Q CB -0.824 28.034 28.738 0.200 0.000 0.922 89 Q HN 0.757 nan 8.270 nan 0.000 0.445 90 V N 1.774 121.771 119.914 0.139 0.000 2.688 90 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 90 V C 2.407 178.629 176.094 0.214 0.000 1.084 90 V CA 2.078 64.454 62.300 0.127 0.000 1.103 90 V CB -1.487 30.379 31.823 0.071 0.000 0.688 90 V HN 0.555 nan 8.190 nan 0.000 0.480 91 T N -2.798 111.917 114.554 0.267 0.000 3.051 91 T HA 0.207 4.557 4.350 -0.000 0.000 0.255 91 T C 0.712 175.639 174.700 0.378 0.000 1.085 91 T CA -0.044 62.341 62.100 0.474 0.000 1.109 91 T CB -0.282 68.774 68.868 0.313 0.000 0.921 91 T HN 0.283 nan 8.240 nan 0.000 0.488 92 L N 1.870 123.260 121.223 0.278 0.000 2.485 92 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 92 L C 1.681 178.627 176.870 0.126 0.000 1.207 92 L CA 0.922 55.879 54.840 0.195 0.000 0.855 92 L CB 0.038 42.185 42.059 0.146 0.000 1.114 92 L HN 0.591 nan 8.230 nan 0.000 0.485 93 G N 2.091 110.951 108.800 0.099 0.000 2.168 93 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.257 93 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.257 93 G C 0.238 175.172 174.900 0.056 0.000 0.997 93 G CA -0.062 45.079 45.100 0.069 0.000 0.708 93 G HN 0.543 nan 8.290 nan 0.000 0.520 94 R N -0.968 119.540 120.500 0.013 0.000 2.795 94 R HA 0.646 4.986 4.340 -0.000 0.000 0.275 94 R C -0.694 175.386 176.300 -0.366 0.000 0.981 94 R CA -0.747 55.225 56.100 -0.213 0.000 0.917 94 R CB 2.327 32.393 30.300 -0.390 0.000 1.202 94 R HN 0.140 nan 8.270 nan 0.000 0.469 95 V N 3.262 122.907 119.914 -0.449 0.000 2.459 95 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 95 V C -0.760 175.087 176.094 -0.411 0.000 1.029 95 V CA -0.482 61.677 62.300 -0.235 0.000 0.874 95 V CB 1.069 32.871 31.823 -0.035 0.000 0.985 95 V HN 0.539 nan 8.190 nan 0.000 0.438 96 F N 2.006 122.012 119.950 0.094 0.000 2.675 96 F HA 0.570 5.097 4.527 -0.000 0.000 0.324 96 F C 0.343 176.190 175.800 0.079 0.000 1.106 96 F CA -1.223 56.815 58.000 0.064 0.000 0.970 96 F CB 1.213 40.233 39.000 0.034 0.000 1.385 96 F HN 0.536 nan 8.300 nan 0.000 0.489 97 N N -0.390 118.477 118.700 0.279 0.000 2.538 97 N HA 0.323 5.063 4.740 -0.000 0.000 0.292 97 N C 0.675 176.250 175.510 0.108 0.000 1.262 97 N CA -0.508 52.645 53.050 0.171 0.000 0.976 97 N CB 1.168 39.730 38.487 0.124 0.000 1.161 97 N HN 0.387 nan 8.380 nan 0.000 0.598 98 V N -0.303 119.651 119.914 0.066 0.000 2.282 98 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 98 V C 2.547 178.638 176.094 -0.005 0.000 1.057 98 V CA 1.571 63.881 62.300 0.016 0.000 1.032 98 V CB -1.108 30.728 31.823 0.021 0.000 0.645 98 V HN 0.509 nan 8.190 nan 0.000 0.447 99 L N 0.890 122.125 121.223 0.021 0.000 2.349 99 L HA 0.031 4.371 4.340 -0.000 0.000 0.220 99 L C 1.917 178.779 176.870 -0.013 0.000 1.130 99 L CA 1.315 56.163 54.840 0.013 0.000 0.791 99 L CB -0.813 41.267 42.059 0.035 0.000 0.918 99 L HN 0.719 nan 8.230 nan 0.000 0.444 100 G N -0.138 108.653 108.800 -0.016 0.000 2.131 100 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.223 100 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.223 100 G C -0.075 174.865 174.900 0.067 0.000 0.990 100 G CA -0.295 44.746 45.100 -0.099 0.000 0.671 100 G HN 0.434 nan 8.290 nan 0.000 0.521 101 E N 1.890 122.183 120.200 0.155 0.000 2.227 101 E HA 0.432 4.782 4.350 -0.000 0.000 0.282 101 E C -2.141 174.639 176.600 0.301 0.000 1.015 101 E CA -1.940 54.578 56.400 0.196 0.000 0.823 101 E CB 1.643 31.409 29.700 0.110 0.000 1.081 101 E HN 0.211 nan 8.360 nan 0.000 0.396 102 P HA -0.007 nan 4.420 nan 0.000 0.269 102 P C 0.184 177.480 177.300 -0.007 0.000 1.215 102 P CA 0.337 63.447 63.100 0.015 0.000 0.780 102 P CB 0.601 32.233 31.700 -0.114 0.000 0.898 103 I N -2.201 118.328 120.570 -0.069 0.000 4.147 103 I HA 0.219 4.389 4.170 -0.000 0.000 0.329 103 I C 0.143 176.185 176.117 -0.124 0.000 1.424 103 I CA -0.509 60.760 61.300 -0.052 0.000 1.127 103 I CB -0.002 37.997 38.000 -0.002 0.000 1.128 103 I HN 0.088 nan 8.210 nan 0.000 0.417 104 D N 1.841 122.138 120.400 -0.170 0.000 2.511 104 D HA 0.271 4.911 4.640 -0.000 0.000 0.276 104 D C 0.668 176.898 176.300 -0.116 0.000 1.220 104 D CA -0.555 53.326 54.000 -0.198 0.000 1.077 104 D CB 0.877 41.550 40.800 -0.212 0.000 1.126 104 D HN 0.162 nan 8.370 nan 0.000 0.583 105 L N -0.765 120.409 121.223 -0.083 0.000 2.769 105 L HA 0.183 4.523 4.340 -0.000 0.000 0.240 105 L C 0.920 177.776 176.870 -0.024 0.000 1.163 105 L CA -0.128 54.686 54.840 -0.043 0.000 0.962 105 L CB -0.120 41.923 42.059 -0.028 0.000 1.258 105 L HN 0.204 nan 8.230 nan 0.000 0.513 106 E N 1.913 122.095 120.200 -0.030 0.000 2.335 106 E HA 0.199 4.549 4.350 -0.000 0.000 0.191 106 E C 1.067 177.661 176.600 -0.010 0.000 1.150 106 E CA 0.414 56.806 56.400 -0.013 0.000 1.001 106 E CB -0.260 29.433 29.700 -0.011 0.000 1.127 106 E HN 0.433 nan 8.360 nan 0.000 0.462 107 G N 2.462 111.256 108.800 -0.010 0.000 2.781 107 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.683 107 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.683 107 G C -0.677 174.226 174.900 0.005 0.000 1.390 107 G CA -0.342 44.758 45.100 0.000 0.000 0.850 107 G HN 0.289 nan 8.290 nan 0.000 0.557 108 D N 0.116 120.527 120.400 0.017 0.000 2.193 108 D HA 0.517 5.157 4.640 -0.000 0.000 0.249 108 D C 1.005 177.331 176.300 0.043 0.000 1.034 108 D CA -0.901 53.118 54.000 0.033 0.000 0.902 108 D CB 1.058 41.878 40.800 0.034 0.000 1.182 108 D HN 0.542 nan 8.370 nan 0.000 0.436 109 I N 1.566 122.176 120.570 0.067 0.000 2.752 109 I HA 0.027 4.197 4.170 -0.000 0.000 0.287 109 I C -1.442 174.701 176.117 0.042 0.000 1.188 109 I CA -0.996 60.346 61.300 0.070 0.000 1.427 109 I CB -0.432 37.632 38.000 0.107 0.000 1.365 109 I HN 0.303 nan 8.210 nan 0.000 0.585 110 P HA 0.160 nan 4.420 nan 0.000 0.274 110 P C 0.109 177.416 177.300 0.011 0.000 1.237 110 P CA -0.428 62.683 63.100 0.018 0.000 0.793 110 P CB 0.962 32.670 31.700 0.015 0.000 0.977 111 A N 1.341 124.166 122.820 0.007 0.000 2.168 111 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 111 A C 1.514 179.095 177.584 -0.004 0.000 1.152 111 A CA 0.990 53.029 52.037 0.002 0.000 0.716 111 A CB -0.721 18.281 19.000 0.004 0.000 0.794 111 A HN 0.510 nan 8.150 nan 0.000 0.465 112 D N 1.109 121.507 120.400 -0.003 0.000 2.183 112 D HA 0.078 4.718 4.640 -0.000 0.000 0.203 112 D C 1.256 177.544 176.300 -0.019 0.000 0.969 112 D CA 0.943 54.938 54.000 -0.007 0.000 0.842 112 D CB -0.630 40.169 40.800 -0.002 0.000 0.957 112 D HN 0.432 nan 8.370 nan 0.000 0.484 113 A N 1.532 124.338 122.820 -0.022 0.000 2.609 113 A HA -0.090 4.230 4.320 -0.000 0.000 0.232 113 A C 0.755 178.297 177.584 -0.070 0.000 1.041 113 A CA 0.149 52.159 52.037 -0.046 0.000 0.753 113 A CB -0.056 18.922 19.000 -0.037 0.000 0.966 113 A HN 0.159 nan 8.150 nan 0.000 0.510 114 R N 1.608 122.040 120.500 -0.113 0.000 2.441 114 R HA 0.444 4.784 4.340 -0.000 0.000 0.284 114 R C -0.530 175.679 176.300 -0.152 0.000 1.070 114 R CA -0.170 55.852 56.100 -0.130 0.000 1.047 114 R CB 0.414 30.605 30.300 -0.182 0.000 1.016 114 R HN 0.799 nan 8.270 nan 0.000 0.477 115 R N 2.764 123.193 120.500 -0.118 0.000 2.514 115 R HA 0.228 4.568 4.340 -0.000 0.000 0.296 115 R C -1.476 174.763 176.300 -0.102 0.000 1.012 115 R CA -0.841 55.187 56.100 -0.120 0.000 0.897 115 R CB 1.803 32.052 30.300 -0.086 0.000 1.184 115 R HN 0.639 nan 8.270 nan 0.000 0.440 116 D N 4.035 124.363 120.400 -0.121 0.000 2.193 116 D HA 0.264 4.904 4.640 -0.000 0.000 0.249 116 D C -2.231 174.022 176.300 -0.079 0.000 1.034 116 D CA -1.664 52.282 54.000 -0.091 0.000 0.902 116 D CB 1.517 42.257 40.800 -0.099 0.000 1.182 116 D HN 0.142 nan 8.370 nan 0.000 0.436 117 P HA 0.118 nan 4.420 nan 0.000 0.276 117 P C 1.036 178.297 177.300 -0.066 0.000 1.230 117 P CA -0.310 62.773 63.100 -0.028 0.000 0.776 117 P CB 0.940 32.646 31.700 0.010 0.000 0.888 118 I N 0.359 120.868 120.570 -0.102 0.000 2.394 118 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 118 I C 0.836 176.768 176.117 -0.308 0.000 1.136 118 I CA 0.847 62.015 61.300 -0.220 0.000 1.425 118 I CB -0.947 36.883 38.000 -0.284 0.000 1.079 118 I HN 0.299 nan 8.210 nan 0.000 0.425 119 H N 4.131 123.119 119.070 -0.137 0.000 2.668 119 H HA 0.534 5.090 4.556 0.000 0.000 0.303 119 H C -0.338 174.937 175.328 -0.088 0.000 1.074 119 H CA -0.219 55.724 56.048 -0.174 0.000 1.406 119 H CB 0.781 30.385 29.762 -0.264 0.000 1.442 119 H HN 0.416 nan 8.280 nan 0.000 0.482 120 R N 3.373 123.875 120.500 0.004 0.000 2.579 120 R HA 0.311 4.651 4.340 -0.000 0.000 0.260 120 R C -3.319 172.986 176.300 0.008 0.000 1.103 120 R CA -1.599 54.509 56.100 0.013 0.000 0.942 120 R CB 1.587 31.877 30.300 -0.016 0.000 1.251 120 R HN 0.296 nan 8.270 nan 0.000 0.450 121 P HA 0.085 nan 4.420 nan 0.000 0.267 121 P C -0.300 177.004 177.300 0.007 0.000 1.200 121 P CA -0.145 62.970 63.100 0.025 0.000 0.772 121 P CB 0.912 32.631 31.700 0.032 0.000 0.855 122 A N 4.590 127.414 122.820 0.007 0.000 2.327 122 A HA 0.428 4.748 4.320 -0.000 0.000 0.255 122 A C -1.961 175.627 177.584 0.007 0.000 1.099 122 A CA -1.189 50.846 52.037 -0.003 0.000 0.801 122 A CB -1.523 17.476 19.000 -0.001 0.000 1.062 122 A HN 0.436 nan 8.150 nan 0.000 0.496 123 P HA 0.038 nan 4.420 nan 0.000 0.266 123 P C -0.462 176.855 177.300 0.028 0.000 1.186 123 P CA 0.207 63.309 63.100 0.003 0.000 0.767 123 P CB 0.314 32.005 31.700 -0.014 0.000 0.820 124 K N 2.275 122.697 120.400 0.037 0.000 2.202 124 K HA 0.093 4.413 4.320 -0.000 0.000 0.264 124 K C 0.992 177.657 176.600 0.109 0.000 1.010 124 K CA -0.190 56.144 56.287 0.078 0.000 0.940 124 K CB -0.125 32.417 32.500 0.070 0.000 0.983 124 K HN 0.418 nan 8.250 nan 0.000 0.475 125 F N 3.078 123.027 119.950 -0.002 0.000 2.063 125 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 125 F C 2.096 177.895 175.800 -0.003 0.000 1.109 125 F CA 2.339 60.338 58.000 -0.001 0.000 1.212 125 F CB 0.014 39.014 39.000 -0.000 0.000 0.973 125 F HN 0.762 nan 8.300 nan 0.000 0.480 126 E N -0.106 120.224 120.200 0.216 0.000 2.267 126 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 126 E C 1.568 178.148 176.600 -0.033 0.000 0.998 126 E CA 1.728 58.176 56.400 0.079 0.000 0.830 126 E CB -0.814 28.962 29.700 0.126 0.000 0.751 126 E HN 0.676 nan 8.360 nan 0.000 0.491 127 E N 0.707 120.890 120.200 -0.028 0.000 2.435 127 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 127 E C 0.570 177.124 176.600 -0.077 0.000 1.029 127 E CA -0.059 56.317 56.400 -0.041 0.000 0.865 127 E CB 0.131 29.822 29.700 -0.016 0.000 0.833 127 E HN 0.289 nan 8.360 nan 0.000 0.510 128 L N 0.954 122.099 121.223 -0.131 0.000 2.439 128 L HA 0.301 4.641 4.340 -0.000 0.000 0.261 128 L C 0.400 177.185 176.870 -0.142 0.000 1.153 128 L CA -0.846 53.911 54.840 -0.138 0.000 0.808 128 L CB 0.526 42.482 42.059 -0.172 0.000 1.126 128 L HN -0.056 nan 8.230 nan 0.000 0.460 129 A N 0.505 123.261 122.820 -0.106 0.000 2.401 129 A HA 0.293 4.613 4.320 -0.000 0.000 0.259 129 A C 0.948 178.469 177.584 -0.106 0.000 1.103 129 A CA 0.127 52.110 52.037 -0.089 0.000 0.789 129 A CB 0.846 19.809 19.000 -0.062 0.000 1.035 129 A HN 0.864 nan 8.150 nan 0.000 0.491 130 T N 1.338 115.835 114.554 -0.096 0.000 2.852 130 T HA 0.003 4.353 4.350 -0.000 0.000 0.256 130 T C 0.663 175.326 174.700 -0.062 0.000 1.038 130 T CA 1.241 63.285 62.100 -0.093 0.000 1.141 130 T CB -0.314 68.506 68.868 -0.079 0.000 0.869 130 T HN 0.745 nan 8.240 nan 0.000 0.439 131 E N 1.281 121.454 120.200 -0.045 0.000 2.313 131 E HA 0.310 4.660 4.350 -0.000 0.000 0.276 131 E C -0.873 175.709 176.600 -0.030 0.000 1.031 131 E CA -0.436 55.945 56.400 -0.032 0.000 0.857 131 E CB 1.757 31.444 29.700 -0.022 0.000 1.040 131 E HN 0.121 nan 8.360 nan 0.000 0.408 132 V N 4.483 124.381 119.914 -0.027 0.000 2.405 132 V HA 0.007 4.127 4.120 -0.000 0.000 0.264 132 V C 0.109 176.194 176.094 -0.015 0.000 1.048 132 V CA 0.097 62.383 62.300 -0.023 0.000 0.966 132 V CB -0.092 31.717 31.823 -0.023 0.000 1.015 132 V HN 0.600 nan 8.190 nan 0.000 0.477 133 E N 5.655 125.849 120.200 -0.010 0.000 2.165 133 E HA 0.534 4.884 4.350 -0.000 0.000 0.266 133 E C -0.164 176.441 176.600 0.010 0.000 0.889 133 E CA -0.787 55.614 56.400 0.002 0.000 0.756 133 E CB 2.431 32.134 29.700 0.006 0.000 1.131 133 E HN 0.662 nan 8.360 nan 0.000 0.411 134 I N 3.292 123.876 120.570 0.022 0.000 2.752 134 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 134 I C -0.825 175.319 176.117 0.044 0.000 1.188 134 I CA -0.520 60.803 61.300 0.039 0.000 1.427 134 I CB 0.582 38.610 38.000 0.047 0.000 1.365 134 I HN 0.620 nan 8.210 nan 0.000 0.585 135 L N 7.510 128.759 121.223 0.044 0.000 2.264 135 L HA 0.368 4.708 4.340 -0.000 0.000 0.289 135 L C -0.105 176.786 176.870 0.035 0.000 1.044 135 L CA 0.028 54.869 54.840 0.002 0.000 0.807 135 L CB 1.048 43.097 42.059 -0.016 0.000 1.192 135 L HN 0.704 nan 8.230 nan 0.000 0.425 136 E N 2.202 122.450 120.200 0.081 0.000 2.229 136 E HA 0.154 4.504 4.350 -0.000 0.000 0.283 136 E C 0.125 176.843 176.600 0.196 0.000 1.030 136 E CA 0.226 56.716 56.400 0.150 0.000 0.836 136 E CB 0.881 30.736 29.700 0.259 0.000 1.068 136 E HN 0.786 nan 8.360 nan 0.000 0.401 137 T N 0.989 115.545 114.554 0.004 0.000 3.092 137 T HA 0.259 4.609 4.350 -0.000 0.000 0.258 137 T C 1.296 175.820 174.700 -0.293 0.000 1.031 137 T CA 0.221 62.297 62.100 -0.039 0.000 0.925 137 T CB 0.356 69.136 68.868 -0.147 0.000 1.036 137 T HN 0.674 nan 8.240 nan 0.000 0.544 138 G N 1.901 110.347 108.800 -0.591 0.000 2.180 138 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.263 138 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.263 138 G C 0.043 174.632 174.900 -0.519 0.000 0.989 138 G CA 0.485 44.889 45.100 -1.160 0.000 0.692 138 G HN 0.696 nan 8.290 nan 0.000 0.526 139 I N 0.278 120.675 120.570 -0.288 0.000 2.328 139 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 139 I C 1.513 177.565 176.117 -0.109 0.000 1.012 139 I CA -0.919 60.304 61.300 -0.128 0.000 1.195 139 I CB 1.332 39.304 38.000 -0.048 0.000 1.350 139 I HN -0.009 nan 8.210 nan 0.000 0.464 140 K N 3.677 124.026 120.400 -0.085 0.000 1.990 140 K HA -0.205 4.115 4.320 -0.000 0.000 0.225 140 K C 1.778 178.341 176.600 -0.061 0.000 1.053 140 K CA 1.829 58.088 56.287 -0.048 0.000 0.982 140 K CB -0.419 32.060 32.500 -0.034 0.000 0.734 140 K HN 0.502 nan 8.250 nan 0.000 0.448 141 V N 1.317 121.200 119.914 -0.053 0.000 2.250 141 V HA -0.313 3.807 4.120 -0.000 0.000 0.253 141 V C 2.384 178.439 176.094 -0.065 0.000 1.065 141 V CA 2.166 64.430 62.300 -0.060 0.000 1.039 141 V CB -0.950 30.863 31.823 -0.016 0.000 0.647 141 V HN 0.160 nan 8.190 nan 0.000 0.446 142 V N 0.520 120.382 119.914 -0.086 0.000 2.216 142 V HA -0.265 3.855 4.120 -0.000 0.000 0.243 142 V C 2.313 178.335 176.094 -0.119 0.000 1.044 142 V CA 2.410 64.610 62.300 -0.166 0.000 0.995 142 V CB -0.912 30.686 31.823 -0.376 0.000 0.633 142 V HN 0.529 nan 8.190 nan 0.000 0.446 143 D N -0.384 119.947 120.400 -0.114 0.000 2.271 143 D HA -0.150 4.490 4.640 -0.000 0.000 0.207 143 D C 1.746 178.098 176.300 0.087 0.000 0.983 143 D CA 1.233 55.223 54.000 -0.016 0.000 0.878 143 D CB -0.015 40.761 40.800 -0.040 0.000 0.920 143 D HN 0.390 nan 8.370 nan 0.000 0.479 144 L N -0.384 120.838 121.223 -0.003 0.000 2.296 144 L HA 0.096 4.436 4.340 -0.000 0.000 0.193 144 L C 2.049 179.000 176.870 0.136 0.000 1.123 144 L CA 0.698 55.529 54.840 -0.014 0.000 0.805 144 L CB -0.262 41.642 42.059 -0.258 0.000 1.004 144 L HN -0.134 nan 8.230 nan 0.000 0.478 145 L N -0.046 121.172 121.223 -0.009 0.000 2.313 145 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 145 L C 0.646 177.546 176.870 0.051 0.000 1.119 145 L CA 0.694 55.535 54.840 0.002 0.000 0.809 145 L CB -0.469 41.556 42.059 -0.056 0.000 0.933 145 L HN 0.411 nan 8.230 nan 0.000 0.449 146 A N -0.476 122.387 122.820 0.072 0.000 3.474 146 A HA 0.452 4.772 4.320 -0.000 0.000 0.251 146 A C -2.589 175.086 177.584 0.152 0.000 1.062 146 A CA -0.833 51.275 52.037 0.118 0.000 0.945 146 A CB -0.137 18.952 19.000 0.147 0.000 1.296 146 A HN -0.122 nan 8.150 nan 0.000 0.592 147 P HA 0.019 nan 4.420 nan 0.000 0.261 147 P C -0.573 176.868 177.300 0.235 0.000 1.173 147 P CA 0.845 64.016 63.100 0.118 0.000 0.760 147 P CB 0.084 31.820 31.700 0.060 0.000 0.783 148 Y N 2.936 123.247 120.300 0.018 0.000 2.304 148 Y HA 0.289 4.839 4.550 0.000 0.000 0.327 148 Y C 0.874 176.764 175.900 -0.017 0.000 1.209 148 Y CA -0.818 57.279 58.100 -0.006 0.000 1.299 148 Y CB 0.168 38.618 38.460 -0.018 0.000 1.249 148 Y HN 0.182 nan 8.280 nan 0.000 0.519 149 I N 2.089 122.722 120.570 0.106 0.000 2.392 149 I HA 0.218 4.388 4.170 -0.000 0.000 0.295 149 I C 0.034 176.152 176.117 0.002 0.000 0.985 149 I CA -1.149 60.173 61.300 0.036 0.000 1.221 149 I CB 1.148 39.150 38.000 0.004 0.000 1.366 149 I HN 0.332 nan 8.210 nan 0.000 0.467 150 K N 4.233 124.628 120.400 -0.008 0.000 2.395 150 K HA 0.371 4.691 4.320 -0.000 0.000 0.283 150 K C 1.026 177.598 176.600 -0.047 0.000 1.068 150 K CA 1.131 57.397 56.287 -0.035 0.000 1.039 150 K CB -0.331 32.148 32.500 -0.034 0.000 0.924 150 K HN 0.872 nan 8.250 nan 0.000 0.468 151 G N 2.422 111.182 108.800 -0.066 0.000 2.213 151 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 151 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 151 G C 0.517 175.368 174.900 -0.082 0.000 0.991 151 G CA -0.190 44.866 45.100 -0.073 0.000 0.629 151 G HN 0.926 nan 8.290 nan 0.000 0.517 152 G N -0.338 108.412 108.800 -0.084 0.000 2.516 152 G HA2 0.536 4.496 3.960 -0.000 0.000 0.276 152 G HA3 0.536 4.496 3.960 -0.000 0.000 0.276 152 G C -0.309 174.509 174.900 -0.136 0.000 1.390 152 G CA -0.038 45.008 45.100 -0.089 0.000 1.050 152 G HN 0.409 nan 8.290 nan 0.000 0.519 153 K N -0.513 119.807 120.400 -0.134 0.000 2.535 153 K HA 0.471 4.791 4.320 -0.000 0.000 0.253 153 K C -0.998 175.472 176.600 -0.216 0.000 0.953 153 K CA -0.248 55.935 56.287 -0.172 0.000 0.863 153 K CB 1.695 34.129 32.500 -0.111 0.000 1.111 153 K HN 0.218 nan 8.250 nan 0.000 0.431 154 I N 1.555 121.931 120.570 -0.324 0.000 2.353 154 I HA 0.376 4.546 4.170 -0.000 0.000 0.293 154 I C 0.834 176.779 176.117 -0.287 0.000 0.992 154 I CA -0.347 60.733 61.300 -0.367 0.000 1.268 154 I CB 1.829 39.406 38.000 -0.706 0.000 1.387 154 I HN 0.599 nan 8.210 nan 0.000 0.478 155 G N 6.132 114.796 108.800 -0.226 0.000 2.320 155 G HA2 0.510 4.470 3.960 -0.000 0.000 0.300 155 G HA3 0.510 4.470 3.960 -0.000 0.000 0.300 155 G C -0.985 173.669 174.900 -0.409 0.000 1.126 155 G CA -0.398 44.475 45.100 -0.378 0.000 0.896 155 G HN 0.458 nan 8.290 nan 0.000 0.436 156 L N 3.550 124.508 121.223 -0.442 0.000 2.255 156 L HA 0.633 4.973 4.340 -0.000 0.000 0.289 156 L C -1.163 175.487 176.870 -0.367 0.000 1.046 156 L CA -0.895 53.811 54.840 -0.224 0.000 0.816 156 L CB 0.035 42.068 42.059 -0.044 0.000 1.197 156 L HN 0.332 nan 8.230 nan 0.000 0.427 157 F N 3.854 123.878 119.950 0.122 0.000 2.436 157 F HA 0.788 5.315 4.527 -0.000 0.000 0.340 157 F C 0.923 176.807 175.800 0.140 0.000 1.113 157 F CA -0.255 57.838 58.000 0.154 0.000 1.022 157 F CB 1.745 40.847 39.000 0.169 0.000 1.128 157 F HN 0.691 nan 8.300 nan 0.000 0.466 158 G N 1.132 110.114 108.800 0.303 0.000 2.906 158 G HA2 0.408 4.367 3.960 -0.000 0.000 0.686 158 G HA3 0.408 4.367 3.960 -0.000 0.000 0.686 158 G C -0.136 174.842 174.900 0.130 0.000 1.170 158 G CA -0.490 44.732 45.100 0.204 0.000 0.775 158 G HN 1.352 nan 8.290 nan 0.000 0.630 159 G N -0.697 108.154 108.800 0.084 0.000 5.540 159 G HA2 0.696 4.656 3.960 -0.000 0.000 0.197 159 G HA3 0.696 4.656 3.960 -0.000 0.000 0.197 159 G C 0.025 174.938 174.900 0.021 0.000 0.747 159 G CA 1.394 46.520 45.100 0.045 0.000 0.706 159 G HN 2.228 nan 8.290 nan 0.000 0.292 160 A N 0.181 123.025 122.820 0.041 0.000 2.702 160 A HA 0.711 5.031 4.320 -0.000 0.000 0.305 160 A C 1.123 178.738 177.584 0.052 0.000 1.213 160 A CA 0.273 52.330 52.037 0.034 0.000 0.745 160 A CB 0.262 19.279 19.000 0.028 0.000 1.161 160 A HN 1.905 nan 8.150 nan 0.000 0.445 161 G N 0.823 109.656 108.800 0.055 0.000 2.249 161 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.273 161 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.273 161 G C 0.442 175.404 174.900 0.104 0.000 1.036 161 G CA 0.587 45.729 45.100 0.070 0.000 0.824 161 G HN 1.379 nan 8.290 nan 0.000 0.504 162 V N -1.104 118.881 119.914 0.119 0.000 3.432 162 V HA 0.569 4.689 4.120 -0.000 0.000 0.298 162 V C 1.930 178.150 176.094 0.210 0.000 1.464 162 V CA 0.836 63.223 62.300 0.145 0.000 1.046 162 V CB 0.349 32.239 31.823 0.112 0.000 0.887 162 V HN 1.970 nan 8.190 nan 0.000 0.441 163 G N 1.471 110.383 108.800 0.187 0.000 2.130 163 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.216 163 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.216 163 G C 0.873 175.878 174.900 0.173 0.000 0.999 163 G CA 0.559 45.775 45.100 0.193 0.000 0.686 163 G HN 0.425 nan 8.290 nan 0.000 0.515 164 K N -0.312 120.171 120.400 0.139 0.000 2.063 164 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 164 K C 2.377 179.041 176.600 0.108 0.000 1.048 164 K CA 2.081 58.446 56.287 0.130 0.000 0.928 164 K CB -0.264 32.301 32.500 0.109 0.000 0.713 164 K HN 0.331 nan 8.250 nan 0.000 0.442 165 T N 0.555 115.156 114.554 0.078 0.000 2.857 165 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 165 T C 1.819 176.538 174.700 0.032 0.000 1.048 165 T CA 1.168 63.288 62.100 0.033 0.000 1.139 165 T CB -0.001 68.875 68.868 0.013 0.000 0.874 165 T HN 0.015 nan 8.240 nan 0.000 0.455 166 V N 1.642 121.610 119.914 0.088 0.000 2.343 166 V HA -0.107 4.013 4.120 -0.000 0.000 0.247 166 V C 2.387 178.525 176.094 0.074 0.000 1.051 166 V CA 1.200 63.572 62.300 0.120 0.000 1.036 166 V CB -0.664 31.294 31.823 0.225 0.000 0.654 166 V HN 0.321 nan 8.190 nan 0.000 0.451 167 L N -0.101 121.207 121.223 0.143 0.000 2.046 167 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 167 L C 2.166 179.053 176.870 0.027 0.000 1.077 167 L CA 1.837 56.739 54.840 0.103 0.000 0.747 167 L CB -0.504 41.687 42.059 0.220 0.000 0.896 167 L HN 0.215 nan 8.230 nan 0.000 0.432 168 I N -1.094 119.494 120.570 0.030 0.000 2.179 168 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 168 I C 2.541 178.547 176.117 -0.186 0.000 1.088 168 I CA 1.410 62.653 61.300 -0.095 0.000 1.357 168 I CB -0.295 37.554 38.000 -0.252 0.000 1.051 168 I HN 0.381 nan 8.210 nan 0.000 0.409 169 Q N 0.689 120.401 119.800 -0.147 0.000 2.050 169 Q HA -0.288 4.052 4.340 -0.000 0.000 0.202 169 Q C 2.053 178.000 176.000 -0.087 0.000 0.980 169 Q CA 1.995 57.729 55.803 -0.115 0.000 0.840 169 Q CB -0.014 28.678 28.738 -0.076 0.000 0.898 169 Q HN 0.303 nan 8.270 nan 0.000 0.424 170 E N -0.244 119.837 120.200 -0.198 0.000 2.204 170 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 170 E C 1.562 178.060 176.600 -0.169 0.000 0.989 170 E CA 0.826 57.004 56.400 -0.370 0.000 0.824 170 E CB -0.100 28.974 29.700 -1.042 0.000 0.756 170 E HN 0.386 nan 8.360 nan 0.000 0.477 171 L N -0.064 121.137 121.223 -0.037 0.000 2.023 171 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 171 L C 2.390 179.393 176.870 0.222 0.000 1.073 171 L CA 0.978 55.901 54.840 0.139 0.000 0.745 171 L CB -0.388 41.869 42.059 0.329 0.000 0.900 171 L HN 0.209 nan 8.230 nan 0.000 0.435 172 I N -0.635 120.059 120.570 0.206 0.000 2.399 172 I HA -0.379 3.791 4.170 -0.000 0.000 0.254 172 I C 2.460 178.676 176.117 0.165 0.000 1.146 172 I CA 1.501 62.916 61.300 0.192 0.000 1.412 172 I CB -0.460 37.584 38.000 0.073 0.000 1.076 172 I HN 0.392 nan 8.210 nan 0.000 0.432 173 H N 1.187 120.291 119.070 0.057 0.000 2.276 173 H HA -0.102 4.454 4.556 -0.000 0.000 0.307 173 H C 2.191 177.594 175.328 0.125 0.000 1.061 173 H CA 1.835 57.925 56.048 0.069 0.000 1.336 173 H CB 0.136 29.938 29.762 0.067 0.000 1.396 173 H HN 0.137 nan 8.280 nan 0.000 0.503 174 N N 0.860 119.858 118.700 0.496 0.000 2.061 174 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 174 N C 1.902 177.631 175.510 0.364 0.000 1.030 174 N CA 1.460 54.809 53.050 0.497 0.000 0.856 174 N CB -0.281 38.494 38.487 0.479 0.000 1.023 174 N HN 0.375 nan 8.380 nan 0.000 0.424 175 I N 1.236 122.014 120.570 0.346 0.000 2.208 175 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 175 I C 2.277 178.513 176.117 0.200 0.000 1.097 175 I CA 0.691 62.207 61.300 0.360 0.000 1.363 175 I CB -1.740 36.382 38.000 0.203 0.000 1.051 175 I HN 0.039 nan 8.210 nan 0.000 0.413 176 A N 0.016 122.895 122.820 0.098 0.000 1.978 176 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 176 A C 2.315 179.865 177.584 -0.058 0.000 1.170 176 A CA 1.928 53.963 52.037 -0.005 0.000 0.636 176 A CB -0.541 18.429 19.000 -0.051 0.000 0.810 176 A HN 0.607 nan 8.150 nan 0.000 0.448 177 Q N -0.616 119.138 119.800 -0.076 0.000 1.922 177 Q HA -0.064 4.276 4.340 -0.000 0.000 0.224 177 Q C 1.310 177.210 176.000 -0.167 0.000 0.973 177 Q CA 0.620 56.336 55.803 -0.146 0.000 0.858 177 Q CB -0.187 28.442 28.738 -0.181 0.000 0.910 177 Q HN 0.551 nan 8.270 nan 0.000 0.456 178 E N 0.040 120.078 120.200 -0.270 0.000 2.510 178 E HA -0.166 4.184 4.350 -0.000 0.000 0.202 178 E C 0.831 177.086 176.600 -0.575 0.000 1.072 178 E CA 0.757 56.859 56.400 -0.497 0.000 0.883 178 E CB 0.094 29.272 29.700 -0.871 0.000 0.818 178 E HN 0.500 nan 8.360 nan 0.000 0.548 179 H N -1.405 117.650 119.070 -0.026 0.000 3.794 179 H HA 0.165 4.721 4.556 -0.000 0.000 0.258 179 H C 1.107 176.420 175.328 -0.025 0.000 1.120 179 H CA 0.527 56.573 56.048 -0.003 0.000 1.166 179 H CB 1.192 30.975 29.762 0.036 0.000 1.517 179 H HN 0.236 nan 8.280 nan 0.000 0.615 180 G N 1.579 110.405 108.800 0.043 0.000 2.272 180 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.280 180 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.280 180 G C 0.462 175.353 174.900 -0.014 0.000 1.067 180 G CA 0.416 45.510 45.100 -0.010 0.000 0.902 180 G HN 0.667 nan 8.290 nan 0.000 0.500 181 G N -0.778 108.029 108.800 0.011 0.000 2.544 181 G HA2 0.678 4.638 3.960 -0.000 0.000 0.313 181 G HA3 0.678 4.638 3.960 -0.000 0.000 0.313 181 G C -0.162 174.704 174.900 -0.057 0.000 1.316 181 G CA -0.916 44.169 45.100 -0.025 0.000 0.944 181 G HN 0.376 nan 8.290 nan 0.000 0.489 182 I N 1.262 121.733 120.570 -0.164 0.000 2.779 182 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 182 I C 0.835 176.949 176.117 -0.005 0.000 1.134 182 I CA 0.727 61.925 61.300 -0.171 0.000 1.398 182 I CB 1.560 39.256 38.000 -0.508 0.000 1.404 182 I HN 0.332 nan 8.210 nan 0.000 0.587 183 S N 3.488 119.238 115.700 0.083 0.000 2.648 183 S HA 0.794 5.264 4.470 -0.000 0.000 0.305 183 S C -0.942 173.793 174.600 0.224 0.000 1.094 183 S CA -0.684 57.637 58.200 0.203 0.000 0.983 183 S CB 2.103 65.521 63.200 0.363 0.000 1.101 183 S HN 0.292 nan 8.310 nan 0.000 0.514 184 V N 2.086 122.159 119.914 0.266 0.000 2.638 184 V HA 0.522 4.642 4.120 -0.000 0.000 0.306 184 V C -1.506 174.763 176.094 0.292 0.000 1.052 184 V CA -0.653 61.787 62.300 0.233 0.000 0.885 184 V CB 1.636 33.547 31.823 0.146 0.000 0.999 184 V HN 0.829 nan 8.190 nan 0.000 0.424 185 F N 4.040 124.041 119.950 0.084 0.000 2.449 185 F HA 0.807 5.334 4.527 -0.000 0.000 0.342 185 F C 0.191 175.905 175.800 -0.143 0.000 1.127 185 F CA -0.601 57.408 58.000 0.016 0.000 0.975 185 F CB 1.381 40.334 39.000 -0.078 0.000 1.146 185 F HN 0.559 nan 8.300 nan 0.000 0.444 186 A N 4.582 127.065 122.820 -0.561 0.000 2.267 186 A HA 0.658 4.978 4.320 -0.000 0.000 0.315 186 A C -0.055 177.196 177.584 -0.555 0.000 1.297 186 A CA -0.322 51.455 52.037 -0.434 0.000 0.865 186 A CB 0.201 19.015 19.000 -0.310 0.000 1.165 186 A HN 1.023 nan 8.150 nan 0.000 0.513 187 G N 1.307 109.907 108.800 -0.333 0.000 2.329 187 G HA2 0.507 4.467 3.960 -0.000 0.000 0.309 187 G HA3 0.507 4.467 3.960 -0.000 0.000 0.309 187 G C -0.635 174.314 174.900 0.081 0.000 1.110 187 G CA -0.218 44.892 45.100 0.017 0.000 0.923 187 G HN 0.727 nan 8.290 nan 0.000 0.430 188 V N 2.464 122.418 119.914 0.066 0.000 2.334 188 V HA 0.599 4.719 4.120 -0.000 0.000 0.281 188 V C 0.998 177.180 176.094 0.146 0.000 1.016 188 V CA -0.025 62.329 62.300 0.090 0.000 0.832 188 V CB 0.820 32.675 31.823 0.053 0.000 0.999 188 V HN 1.315 nan 8.190 nan 0.000 0.439 189 G N 3.859 112.751 108.800 0.153 0.000 2.247 189 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.265 189 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.265 189 G C -0.006 174.997 174.900 0.171 0.000 0.861 189 G CA 0.940 46.132 45.100 0.153 0.000 1.289 189 G HN 1.065 nan 8.290 nan 0.000 0.403 190 E N 0.549 120.852 120.200 0.172 0.000 3.124 190 E HA 0.366 4.716 4.350 -0.000 0.000 0.331 190 E C 0.357 177.037 176.600 0.134 0.000 1.139 190 E CA -0.590 55.907 56.400 0.163 0.000 0.949 190 E CB -0.074 29.733 29.700 0.178 0.000 1.423 190 E HN 0.705 nan 8.360 nan 0.000 0.388 191 R N 0.887 121.447 120.500 0.100 0.000 1.955 191 R HA -0.126 4.214 4.340 -0.000 0.000 0.380 191 R C 0.439 176.754 176.300 0.025 0.000 1.164 191 R CA 0.766 56.902 56.100 0.059 0.000 0.888 191 R CB -1.396 28.934 30.300 0.051 0.000 2.758 191 R HN 0.510 nan 8.270 nan 0.000 0.488 192 T N 1.420 115.968 114.554 -0.010 0.000 2.720 192 T HA -0.225 4.125 4.350 -0.000 0.000 0.268 192 T C 1.841 176.471 174.700 -0.117 0.000 1.037 192 T CA 1.520 63.565 62.100 -0.092 0.000 1.144 192 T CB -0.109 68.710 68.868 -0.082 0.000 0.864 192 T HN 0.488 nan 8.240 nan 0.000 0.444 193 R N 0.851 121.316 120.500 -0.058 0.000 2.159 193 R HA -0.226 4.114 4.340 -0.000 0.000 0.249 193 R C 2.288 178.557 176.300 -0.052 0.000 1.136 193 R CA 2.237 58.310 56.100 -0.044 0.000 0.951 193 R CB -0.242 30.050 30.300 -0.013 0.000 0.876 193 R HN 0.568 nan 8.270 nan 0.000 0.440 194 E N -1.485 118.697 120.200 -0.030 0.000 2.072 194 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 194 E C 1.963 178.533 176.600 -0.050 0.000 0.985 194 E CA 0.998 57.392 56.400 -0.011 0.000 0.801 194 E CB -0.265 29.459 29.700 0.041 0.000 0.750 194 E HN 0.596 nan 8.360 nan 0.000 0.452 195 G N 1.532 110.253 108.800 -0.132 0.000 2.440 195 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.218 195 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.218 195 G C 1.387 176.028 174.900 -0.432 0.000 1.154 195 G CA 1.315 46.168 45.100 -0.412 0.000 0.767 195 G HN 0.248 nan 8.290 nan 0.000 0.552 196 N N 0.625 119.118 118.700 -0.345 0.000 2.058 196 N HA -0.108 4.632 4.740 -0.000 0.000 0.191 196 N C 1.745 177.147 175.510 -0.180 0.000 1.037 196 N CA 1.763 54.634 53.050 -0.298 0.000 0.848 196 N CB -0.188 38.182 38.487 -0.196 0.000 1.021 196 N HN 0.160 nan 8.380 nan 0.000 0.422 197 D N 0.302 120.663 120.400 -0.065 0.000 2.103 197 D HA -0.190 4.450 4.640 -0.000 0.000 0.190 197 D C 1.946 178.243 176.300 -0.005 0.000 0.997 197 D CA 0.981 54.987 54.000 0.011 0.000 0.833 197 D CB -0.754 40.051 40.800 0.008 0.000 0.961 197 D HN 0.281 nan 8.370 nan 0.000 0.447 198 L N -0.138 121.059 121.223 -0.043 0.000 2.042 198 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 198 L C 2.303 179.122 176.870 -0.084 0.000 1.076 198 L CA 1.546 56.336 54.840 -0.083 0.000 0.749 198 L CB -0.780 41.184 42.059 -0.158 0.000 0.893 198 L HN 0.115 nan 8.230 nan 0.000 0.432 199 Y N -0.163 120.031 120.300 -0.177 0.000 2.097 199 Y HA -0.346 4.204 4.550 0.000 0.000 0.282 199 Y C 2.556 178.392 175.900 -0.107 0.000 1.152 199 Y CA 2.379 60.377 58.100 -0.170 0.000 1.136 199 Y CB -0.723 37.566 38.460 -0.286 0.000 0.975 199 Y HN 0.429 nan 8.280 nan 0.000 0.498 200 H N -0.345 118.673 119.070 -0.088 0.000 2.353 200 H HA -0.141 4.415 4.556 -0.000 0.000 0.300 200 H C 2.089 177.317 175.328 -0.167 0.000 1.090 200 H CA 1.310 57.260 56.048 -0.163 0.000 1.327 200 H CB -0.048 29.721 29.762 0.011 0.000 1.383 200 H HN 0.478 nan 8.280 nan 0.000 0.508 201 E N 0.194 120.399 120.200 0.008 0.000 2.209 201 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 201 E C 1.814 178.373 176.600 -0.068 0.000 0.993 201 E CA 0.964 57.357 56.400 -0.011 0.000 0.819 201 E CB -0.037 29.656 29.700 -0.011 0.000 0.745 201 E HN 0.499 nan 8.360 nan 0.000 0.477 202 M N 0.015 119.526 119.600 -0.149 0.000 2.447 202 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 202 M C 1.891 178.078 176.300 -0.189 0.000 1.095 202 M CA 0.727 55.924 55.300 -0.172 0.000 1.125 202 M CB 0.351 32.828 32.600 -0.206 0.000 1.389 202 M HN -0.150 nan 8.290 nan 0.000 0.459 203 K N 0.419 120.671 120.400 -0.246 0.000 1.984 203 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 203 K C 1.401 177.936 176.600 -0.108 0.000 1.046 203 K CA 1.451 57.617 56.287 -0.203 0.000 0.934 203 K CB -0.512 31.868 32.500 -0.200 0.000 0.717 203 K HN 0.278 nan 8.250 nan 0.000 0.438 204 D N 0.683 121.036 120.400 -0.078 0.000 2.144 204 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 204 D C 1.894 178.160 176.300 -0.056 0.000 0.984 204 D CA 1.470 55.440 54.000 -0.051 0.000 0.834 204 D CB -0.262 40.527 40.800 -0.018 0.000 0.955 204 D HN 0.207 nan 8.370 nan 0.000 0.465 205 S N -0.788 114.880 115.700 -0.053 0.000 2.515 205 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 205 S C 1.950 176.530 174.600 -0.032 0.000 0.987 205 S CA 0.894 59.066 58.200 -0.046 0.000 0.936 205 S CB -0.143 63.038 63.200 -0.032 0.000 0.766 205 S HN 0.358 nan 8.310 nan 0.000 0.528 206 G N 0.851 109.621 108.800 -0.051 0.000 2.189 206 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.267 206 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.267 206 G C 0.878 175.754 174.900 -0.040 0.000 0.975 206 G CA 0.733 45.804 45.100 -0.047 0.000 0.644 206 G HN 1.458 nan 8.290 nan 0.000 0.537 207 V N -0.889 119.007 119.914 -0.029 0.000 3.305 207 V HA 0.289 4.409 4.120 -0.000 0.000 0.269 207 V C 2.225 178.297 176.094 -0.038 0.000 1.157 207 V CA 1.487 63.775 62.300 -0.020 0.000 1.157 207 V CB -0.370 31.458 31.823 0.009 0.000 0.772 207 V HN 0.537 nan 8.190 nan 0.000 0.498 208 I N 0.846 121.378 120.570 -0.062 0.000 2.756 208 I HA -0.138 4.032 4.170 -0.000 0.000 0.262 208 I C 2.155 178.261 176.117 -0.018 0.000 1.225 208 I CA 1.191 62.459 61.300 -0.054 0.000 1.472 208 I CB 0.070 38.003 38.000 -0.112 0.000 1.094 208 I HN 0.399 nan 8.210 nan 0.000 0.454 209 S N 0.502 116.187 115.700 -0.025 0.000 2.515 209 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 209 S C 1.368 175.961 174.600 -0.013 0.000 0.987 209 S CA 0.713 58.905 58.200 -0.013 0.000 0.936 209 S CB -0.072 63.112 63.200 -0.026 0.000 0.766 209 S HN 0.407 nan 8.310 nan 0.000 0.528 210 K N 1.333 121.721 120.400 -0.019 0.000 2.498 210 K HA 0.175 4.495 4.320 -0.000 0.000 0.207 210 K C 0.010 176.616 176.600 0.010 0.000 1.033 210 K CA 0.005 56.275 56.287 -0.028 0.000 1.138 210 K CB 0.980 33.454 32.500 -0.044 0.000 0.860 210 K HN 0.177 nan 8.250 nan 0.000 0.490 211 T N -1.204 113.376 114.554 0.044 0.000 3.105 211 T HA 0.598 4.948 4.350 -0.000 0.000 0.321 211 T C -1.538 173.247 174.700 0.141 0.000 1.135 211 T CA -0.738 61.421 62.100 0.098 0.000 1.053 211 T CB 1.367 70.290 68.868 0.093 0.000 1.133 211 T HN 0.060 nan 8.240 nan 0.000 0.463 212 A N 5.521 128.464 122.820 0.204 0.000 2.310 212 A HA 0.876 5.196 4.320 -0.000 0.000 0.299 212 A C -0.117 177.621 177.584 0.257 0.000 1.147 212 A CA -0.734 51.467 52.037 0.274 0.000 0.818 212 A CB 0.595 19.805 19.000 0.350 0.000 1.096 212 A HN 0.903 nan 8.150 nan 0.000 0.495 213 M N 1.560 121.319 119.600 0.266 0.000 2.591 213 M HA 0.572 5.052 4.480 -0.000 0.000 0.306 213 M C -1.373 175.048 176.300 0.202 0.000 1.190 213 M CA -0.722 54.683 55.300 0.176 0.000 0.889 213 M CB 2.453 35.130 32.600 0.128 0.000 1.728 213 M HN 0.337 nan 8.290 nan 0.000 0.458 214 V N 1.958 121.859 119.914 -0.022 0.000 2.623 214 V HA 0.540 4.660 4.120 -0.000 0.000 0.304 214 V C -1.529 174.439 176.094 -0.210 0.000 1.054 214 V CA -0.628 61.687 62.300 0.025 0.000 0.882 214 V CB 1.912 33.752 31.823 0.027 0.000 1.002 214 V HN 0.633 nan 8.190 nan 0.000 0.424 215 F N 2.064 122.102 119.950 0.146 0.000 2.477 215 F HA 0.755 5.282 4.527 -0.000 0.000 0.335 215 F C 0.776 176.624 175.800 0.081 0.000 1.130 215 F CA -0.576 57.494 58.000 0.116 0.000 0.948 215 F CB 2.417 41.471 39.000 0.090 0.000 1.154 215 F HN 0.588 nan 8.300 nan 0.000 0.439 216 G N 4.039 112.986 108.800 0.244 0.000 4.782 216 G HA2 0.275 4.235 3.960 -0.000 0.000 0.327 216 G HA3 0.275 4.235 3.960 -0.000 0.000 0.327 216 G C -0.341 174.662 174.900 0.172 0.000 1.466 216 G CA -0.448 44.747 45.100 0.159 0.000 1.017 216 G HN 0.313 nan 8.290 nan 0.000 0.543 217 Q N 0.419 120.334 119.800 0.192 0.000 2.697 217 Q HA 0.101 4.441 4.340 -0.000 0.000 0.196 217 Q C 1.786 177.857 176.000 0.118 0.000 1.121 217 Q CA -0.506 55.395 55.803 0.163 0.000 1.151 217 Q CB 0.570 29.384 28.738 0.127 0.000 1.250 217 Q HN 0.512 nan 8.270 nan 0.000 0.658 218 M N 1.252 120.916 119.600 0.108 0.000 2.530 218 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 218 M C 0.684 177.028 176.300 0.073 0.000 1.067 218 M CA 1.759 57.116 55.300 0.095 0.000 1.071 218 M CB -0.156 32.500 32.600 0.093 0.000 1.405 218 M HN 0.633 nan 8.290 nan 0.000 0.478 219 N N -1.488 117.250 118.700 0.063 0.000 2.236 219 N HA 0.052 4.792 4.740 -0.000 0.000 0.196 219 N C -0.461 175.080 175.510 0.051 0.000 1.114 219 N CA -0.307 52.773 53.050 0.049 0.000 0.859 219 N CB 0.163 38.672 38.487 0.036 0.000 0.982 219 N HN 0.125 nan 8.380 nan 0.000 0.493 220 E N 1.653 121.891 120.200 0.062 0.000 2.354 220 E HA 0.224 4.574 4.350 -0.000 0.000 0.269 220 E C -2.162 174.472 176.600 0.057 0.000 1.036 220 E CA -1.931 54.506 56.400 0.062 0.000 0.876 220 E CB 0.401 30.146 29.700 0.075 0.000 1.009 220 E HN 0.204 nan 8.360 nan 0.000 0.416 221 P HA 0.007 nan 4.420 nan 0.000 0.270 221 P C -1.834 175.497 177.300 0.052 0.000 1.223 221 P CA -0.855 62.273 63.100 0.046 0.000 0.785 221 P CB -0.005 31.721 31.700 0.043 0.000 0.923 222 P HA -0.252 nan 4.420 nan 0.000 0.217 222 P C 1.504 178.841 177.300 0.062 0.000 1.158 222 P CA 2.333 65.462 63.100 0.048 0.000 0.887 222 P CB -0.473 31.248 31.700 0.036 0.000 0.792 223 G N -0.361 108.476 108.800 0.062 0.000 2.446 223 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 223 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 223 G C 1.645 176.590 174.900 0.074 0.000 1.168 223 G CA 1.127 46.271 45.100 0.073 0.000 0.771 223 G HN 0.362 nan 8.290 nan 0.000 0.551 224 A N 0.774 123.634 122.820 0.066 0.000 1.845 224 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 224 A C 2.431 180.057 177.584 0.069 0.000 1.195 224 A CA 1.751 53.826 52.037 0.064 0.000 0.616 224 A CB -0.486 18.553 19.000 0.064 0.000 0.832 224 A HN 0.332 nan 8.150 nan 0.000 0.443 225 R N -1.474 119.074 120.500 0.081 0.000 2.120 225 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 225 R C 2.293 178.670 176.300 0.128 0.000 1.123 225 R CA 1.614 57.772 56.100 0.096 0.000 0.975 225 R CB -0.323 30.035 30.300 0.097 0.000 0.866 225 R HN 0.705 nan 8.270 nan 0.000 0.446 226 M N 0.036 119.719 119.600 0.138 0.000 2.123 226 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 226 M C 1.629 178.032 176.300 0.172 0.000 1.069 226 M CA 1.523 56.962 55.300 0.232 0.000 1.133 226 M CB 0.218 32.922 32.600 0.172 0.000 1.356 226 M HN -0.084 nan 8.290 nan 0.000 0.415 227 R N 0.204 120.745 120.500 0.069 0.000 2.200 227 R HA -0.009 4.331 4.340 -0.000 0.000 0.208 227 R C 2.087 178.327 176.300 -0.100 0.000 1.033 227 R CA 1.316 57.399 56.100 -0.029 0.000 1.000 227 R CB -1.422 28.872 30.300 -0.010 0.000 0.906 227 R HN 0.527 nan 8.270 nan 0.000 0.462 228 V N -0.732 119.147 119.914 -0.059 0.000 2.439 228 V HA -0.204 3.916 4.120 -0.000 0.000 0.253 228 V C 2.344 178.337 176.094 -0.168 0.000 1.074 228 V CA 1.884 64.133 62.300 -0.083 0.000 1.076 228 V CB -1.312 30.494 31.823 -0.028 0.000 0.664 228 V HN 0.172 nan 8.190 nan 0.000 0.461 229 A N 0.323 122.991 122.820 -0.253 0.000 2.015 229 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 229 A C 2.248 179.625 177.584 -0.345 0.000 1.163 229 A CA 1.839 53.660 52.037 -0.361 0.000 0.646 229 A CB -0.505 18.131 19.000 -0.605 0.000 0.806 229 A HN 0.574 nan 8.150 nan 0.000 0.448 230 L N -0.993 120.029 121.223 -0.334 0.000 2.072 230 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 230 L C 2.780 179.496 176.870 -0.258 0.000 1.079 230 L CA 1.646 56.291 54.840 -0.325 0.000 0.752 230 L CB -1.008 40.807 42.059 -0.407 0.000 0.906 230 L HN 0.342 nan 8.230 nan 0.000 0.436 231 T N -0.053 114.370 114.554 -0.218 0.000 2.595 231 T HA -0.176 4.174 4.350 -0.000 0.000 0.264 231 T C 1.815 176.408 174.700 -0.179 0.000 1.058 231 T CA 1.600 63.588 62.100 -0.188 0.000 1.166 231 T CB -0.766 68.011 68.868 -0.152 0.000 0.863 231 T HN 0.534 nan 8.240 nan 0.000 0.415 232 G N 1.076 109.781 108.800 -0.158 0.000 2.462 232 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 232 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 232 G C 1.534 176.361 174.900 -0.122 0.000 1.121 232 G CA 0.812 45.837 45.100 -0.124 0.000 0.758 232 G HN 0.406 nan 8.290 nan 0.000 0.559 233 L N 0.815 121.940 121.223 -0.163 0.000 2.072 233 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 233 L C 2.913 179.710 176.870 -0.121 0.000 1.079 233 L CA 2.461 57.210 54.840 -0.152 0.000 0.752 233 L CB -0.898 41.044 42.059 -0.196 0.000 0.906 233 L HN 0.158 nan 8.230 nan 0.000 0.436 234 T N -0.215 114.254 114.554 -0.142 0.000 2.652 234 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 234 T C 1.936 176.572 174.700 -0.107 0.000 1.039 234 T CA 2.167 64.191 62.100 -0.127 0.000 1.153 234 T CB -0.330 68.446 68.868 -0.153 0.000 0.863 234 T HN 0.306 nan 8.240 nan 0.000 0.428 235 M N 0.901 120.425 119.600 -0.126 0.000 2.144 235 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 235 M C 2.679 178.974 176.300 -0.008 0.000 1.067 235 M CA 1.718 56.953 55.300 -0.109 0.000 1.095 235 M CB -0.458 32.081 32.600 -0.102 0.000 1.365 235 M HN 0.351 nan 8.290 nan 0.000 0.406 236 A N -0.293 122.547 122.820 0.032 0.000 1.970 236 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 236 A C 1.859 179.489 177.584 0.078 0.000 1.170 236 A CA 1.075 53.185 52.037 0.122 0.000 0.645 236 A CB -0.459 18.580 19.000 0.066 0.000 0.816 236 A HN 0.486 nan 8.150 nan 0.000 0.447 237 E N -1.291 118.908 120.200 -0.002 0.000 2.110 237 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 237 E C 1.721 178.305 176.600 -0.027 0.000 0.988 237 E CA 1.428 57.816 56.400 -0.019 0.000 0.804 237 E CB -0.333 29.340 29.700 -0.044 0.000 0.745 237 E HN 0.803 nan 8.360 nan 0.000 0.458 238 Y N 0.418 120.590 120.300 -0.213 0.000 2.256 238 Y HA -0.275 4.275 4.550 -0.000 0.000 0.288 238 Y C 1.623 177.329 175.900 -0.322 0.000 1.155 238 Y CA 1.446 59.357 58.100 -0.315 0.000 1.203 238 Y CB -0.198 37.978 38.460 -0.473 0.000 0.980 238 Y HN -0.058 nan 8.280 nan 0.000 0.530 239 F N 0.164 120.051 119.950 -0.105 0.000 2.098 239 F HA -0.040 4.487 4.527 0.000 0.000 0.294 239 F C 2.787 178.479 175.800 -0.180 0.000 1.107 239 F CA 1.767 59.649 58.000 -0.196 0.000 1.234 239 F CB -1.032 37.947 39.000 -0.035 0.000 1.002 239 F HN -0.082 nan 8.300 nan 0.000 0.472 240 R N 0.515 121.045 120.500 0.050 0.000 2.083 240 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 240 R C 1.688 177.953 176.300 -0.057 0.000 1.137 240 R CA 2.193 58.292 56.100 -0.002 0.000 0.951 240 R CB -0.447 29.849 30.300 -0.007 0.000 0.851 240 R HN 0.170 nan 8.270 nan 0.000 0.434 241 D N -0.080 120.264 120.400 -0.094 0.000 2.085 241 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 241 D C 1.815 178.027 176.300 -0.147 0.000 0.981 241 D CA 1.350 55.288 54.000 -0.102 0.000 0.834 241 D CB -0.085 40.667 40.800 -0.080 0.000 0.992 241 D HN 0.258 nan 8.370 nan 0.000 0.457 242 E N -0.095 119.931 120.200 -0.290 0.000 2.102 242 E HA 0.069 4.419 4.350 -0.000 0.000 0.190 242 E C 1.010 177.458 176.600 -0.254 0.000 0.971 242 E CA 0.544 56.751 56.400 -0.321 0.000 0.821 242 E CB 0.240 29.608 29.700 -0.553 0.000 0.777 242 E HN 0.214 nan 8.360 nan 0.000 0.460 243 Q N -0.507 119.138 119.800 -0.259 0.000 2.201 243 Q HA 0.233 4.573 4.340 -0.000 0.000 0.236 243 Q C 0.346 176.330 176.000 -0.026 0.000 0.857 243 Q CA 0.204 55.955 55.803 -0.086 0.000 1.025 243 Q CB 1.080 29.828 28.738 0.017 0.000 1.124 243 Q HN 0.308 nan 8.270 nan 0.000 0.473 244 G N 1.757 110.530 108.800 -0.045 0.000 2.453 244 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.313 244 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.313 244 G C 0.072 174.971 174.900 -0.002 0.000 0.948 244 G CA 0.726 45.812 45.100 -0.023 0.000 0.846 244 G HN 0.411 nan 8.290 nan 0.000 0.512 245 Q N -0.283 119.528 119.800 0.018 0.000 2.312 245 Q HA 0.281 4.621 4.340 -0.000 0.000 0.236 245 Q C -0.343 175.665 176.000 0.012 0.000 0.965 245 Q CA -0.419 55.395 55.803 0.018 0.000 0.894 245 Q CB 0.955 29.704 28.738 0.018 0.000 1.225 245 Q HN 0.276 nan 8.270 nan 0.000 0.478 246 D N 1.828 122.229 120.400 0.002 0.000 2.524 246 D HA 0.183 4.823 4.640 -0.000 0.000 0.222 246 D C -0.165 176.123 176.300 -0.020 0.000 1.142 246 D CA 0.083 54.071 54.000 -0.021 0.000 0.973 246 D CB 0.619 41.391 40.800 -0.045 0.000 1.025 246 D HN 0.562 nan 8.370 nan 0.000 0.519 247 G N 0.940 109.738 108.800 -0.002 0.000 2.522 247 G HA2 0.588 4.548 3.960 -0.000 0.000 0.304 247 G HA3 0.588 4.548 3.960 -0.000 0.000 0.304 247 G C -0.204 174.682 174.900 -0.024 0.000 1.210 247 G CA -0.479 44.625 45.100 0.007 0.000 0.960 247 G HN 0.317 nan 8.290 nan 0.000 0.497 248 L N -0.641 120.574 121.223 -0.013 0.000 2.333 248 L HA 0.607 4.947 4.340 -0.000 0.000 0.269 248 L C -0.987 175.817 176.870 -0.111 0.000 1.010 248 L CA -0.945 53.826 54.840 -0.114 0.000 0.818 248 L CB 2.203 44.191 42.059 -0.118 0.000 1.306 248 L HN 0.337 nan 8.230 nan 0.000 0.430 249 L N 2.211 123.261 121.223 -0.288 0.000 2.457 249 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 249 L C -1.423 175.219 176.870 -0.381 0.000 0.979 249 L CA 0.128 54.838 54.840 -0.217 0.000 0.857 249 L CB 1.009 42.959 42.059 -0.181 0.000 1.213 249 L HN 0.181 nan 8.230 nan 0.000 0.418 250 F N 5.566 125.419 119.950 -0.163 0.000 2.408 250 F HA 0.587 5.114 4.527 -0.000 0.000 0.344 250 F C 0.250 175.744 175.800 -0.511 0.000 1.112 250 F CA -0.334 57.507 58.000 -0.266 0.000 1.096 250 F CB 1.326 40.230 39.000 -0.160 0.000 1.129 250 F HN 0.220 nan 8.300 nan 0.000 0.486 251 I N 3.026 123.426 120.570 -0.283 0.000 2.439 251 I HA 0.168 4.338 4.170 -0.000 0.000 0.283 251 I C -0.945 175.009 176.117 -0.271 0.000 1.023 251 I CA -0.630 60.464 61.300 -0.344 0.000 1.100 251 I CB 1.472 39.323 38.000 -0.249 0.000 1.238 251 I HN 0.438 nan 8.210 nan 0.000 0.445 252 D N 6.864 127.056 120.400 -0.348 0.000 2.347 252 D HA 0.118 4.758 4.640 -0.000 0.000 0.235 252 D C -0.145 176.168 176.300 0.021 0.000 1.149 252 D CA 0.180 54.129 54.000 -0.085 0.000 0.850 252 D CB 0.491 41.352 40.800 0.102 0.000 1.061 252 D HN 0.479 nan 8.370 nan 0.000 0.487 253 N N 3.444 122.181 118.700 0.062 0.000 2.590 253 N HA -0.219 4.521 4.740 -0.000 0.000 0.273 253 N C 0.807 176.420 175.510 0.172 0.000 1.210 253 N CA 0.136 53.278 53.050 0.154 0.000 0.676 253 N CB -1.213 37.411 38.487 0.227 0.000 0.881 253 N HN 0.657 nan 8.380 nan 0.000 0.550 254 I N 1.194 121.848 120.570 0.140 0.000 2.454 254 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 254 I C 1.955 178.233 176.117 0.268 0.000 1.156 254 I CA 0.976 62.382 61.300 0.177 0.000 1.433 254 I CB -0.118 37.949 38.000 0.112 0.000 1.082 254 I HN 0.530 nan 8.210 nan 0.000 0.432 255 F N 1.992 122.029 119.950 0.146 0.000 2.091 255 F HA -0.287 4.240 4.527 0.000 0.000 0.299 255 F C 2.295 178.177 175.800 0.137 0.000 1.103 255 F CA 1.715 59.795 58.000 0.134 0.000 1.228 255 F CB -0.350 38.734 39.000 0.139 0.000 0.984 255 F HN -0.079 nan 8.300 nan 0.000 0.477 256 R N -0.373 120.224 120.500 0.160 0.000 2.193 256 R HA -0.138 4.202 4.340 -0.000 0.000 0.229 256 R C 1.967 178.283 176.300 0.026 0.000 1.110 256 R CA 1.314 57.450 56.100 0.060 0.000 0.988 256 R CB -1.141 29.280 30.300 0.202 0.000 0.871 256 R HN 0.495 nan 8.270 nan 0.000 0.458 257 F N 0.792 120.697 119.950 -0.076 0.000 2.060 257 F HA -0.193 4.334 4.527 -0.000 0.000 0.295 257 F C 2.214 177.947 175.800 -0.112 0.000 1.120 257 F CA 2.083 60.039 58.000 -0.075 0.000 1.205 257 F CB -1.255 37.705 39.000 -0.066 0.000 0.986 257 F HN 0.128 nan 8.300 nan 0.000 0.470 258 T N -1.232 112.981 114.554 -0.568 0.000 2.788 258 T HA -0.256 4.094 4.350 -0.000 0.000 0.268 258 T C 2.002 176.468 174.700 -0.390 0.000 1.044 258 T CA 1.550 63.271 62.100 -0.633 0.000 1.139 258 T CB -0.925 67.650 68.868 -0.488 0.000 0.867 258 T HN 0.625 nan 8.240 nan 0.000 0.454 259 Q N 1.221 120.742 119.800 -0.466 0.000 2.084 259 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 259 Q C 2.537 178.445 176.000 -0.154 0.000 0.978 259 Q CA 1.635 57.244 55.803 -0.323 0.000 0.844 259 Q CB -0.661 27.823 28.738 -0.423 0.000 0.898 259 Q HN 0.693 nan 8.270 nan 0.000 0.426 260 A N 0.380 123.126 122.820 -0.123 0.000 2.019 260 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 260 A C 2.176 179.728 177.584 -0.053 0.000 1.164 260 A CA 1.500 53.514 52.037 -0.039 0.000 0.644 260 A CB -1.082 17.938 19.000 0.033 0.000 0.805 260 A HN 0.623 nan 8.150 nan 0.000 0.449 261 G N 0.004 108.722 108.800 -0.136 0.000 2.414 261 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 261 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 261 G C 2.025 176.894 174.900 -0.052 0.000 1.188 261 G CA 1.697 46.724 45.100 -0.121 0.000 0.783 261 G HN 0.867 nan 8.290 nan 0.000 0.537 262 S N 0.374 116.054 115.700 -0.033 0.000 2.382 262 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 262 S C 2.059 176.648 174.600 -0.018 0.000 1.027 262 S CA 1.851 60.054 58.200 0.006 0.000 0.991 262 S CB -0.362 62.858 63.200 0.033 0.000 0.823 262 S HN 0.524 nan 8.310 nan 0.000 0.469 263 E N 0.330 120.514 120.200 -0.027 0.000 2.160 263 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 263 E C 1.777 178.376 176.600 -0.001 0.000 0.991 263 E CA 1.513 57.904 56.400 -0.016 0.000 0.810 263 E CB -0.092 29.602 29.700 -0.010 0.000 0.742 263 E HN 0.590 nan 8.360 nan 0.000 0.466 264 V N -0.454 119.462 119.914 0.005 0.000 2.426 264 V HA -0.149 3.971 4.120 -0.000 0.000 0.242 264 V C 2.289 178.393 176.094 0.017 0.000 1.036 264 V CA 1.314 63.624 62.300 0.018 0.000 1.044 264 V CB -0.605 31.236 31.823 0.031 0.000 0.688 264 V HN 0.224 nan 8.190 nan 0.000 0.462 265 S N 0.674 116.382 115.700 0.014 0.000 2.378 265 S HA -0.344 4.126 4.470 -0.000 0.000 0.229 265 S C 2.181 176.788 174.600 0.012 0.000 1.052 265 S CA 2.340 60.550 58.200 0.016 0.000 1.084 265 S CB -0.565 62.645 63.200 0.016 0.000 0.950 265 S HN 0.671 nan 8.310 nan 0.000 0.440 266 A N 1.076 123.899 122.820 0.005 0.000 1.892 266 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 266 A C 2.257 179.844 177.584 0.004 0.000 1.188 266 A CA 1.905 53.943 52.037 0.001 0.000 0.631 266 A CB -0.958 18.037 19.000 -0.008 0.000 0.822 266 A HN 0.599 nan 8.150 nan 0.000 0.447 267 L N -0.819 120.409 121.223 0.007 0.000 2.131 267 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 267 L C 2.323 179.201 176.870 0.013 0.000 1.092 267 L CA 0.758 55.604 54.840 0.010 0.000 0.759 267 L CB -0.359 41.708 42.059 0.013 0.000 0.903 267 L HN 0.361 nan 8.230 nan 0.000 0.435 268 L N -0.433 120.800 121.223 0.016 0.000 2.376 268 L HA 0.055 4.395 4.340 -0.000 0.000 0.219 268 L C 1.088 177.966 176.870 0.013 0.000 1.133 268 L CA 0.608 55.459 54.840 0.018 0.000 0.816 268 L CB -0.498 41.575 42.059 0.023 0.000 0.933 268 L HN 0.484 nan 8.230 nan 0.000 0.449 269 G N 1.054 109.860 108.800 0.011 0.000 2.467 269 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.242 269 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.242 269 G C -0.182 174.723 174.900 0.009 0.000 1.127 269 G CA -0.582 44.522 45.100 0.008 0.000 0.924 269 G HN 0.188 nan 8.290 nan 0.000 0.499 270 R N -0.060 120.446 120.500 0.010 0.000 2.532 270 R HA 0.504 4.844 4.340 -0.000 0.000 0.295 270 R C 0.874 177.180 176.300 0.010 0.000 0.968 270 R CA -0.987 55.119 56.100 0.011 0.000 0.916 270 R CB 1.026 31.335 30.300 0.015 0.000 1.124 270 R HN 0.366 nan 8.270 nan 0.000 0.463 271 M N 4.077 123.683 119.600 0.011 0.000 2.427 271 M HA 0.110 4.590 4.480 -0.000 0.000 0.345 271 M C -1.946 174.363 176.300 0.015 0.000 1.653 271 M CA -1.198 54.108 55.300 0.010 0.000 1.138 271 M CB 0.033 32.639 32.600 0.010 0.000 1.995 271 M HN 0.058 nan 8.290 nan 0.000 0.459 272 P HA 0.021 nan 4.420 nan 0.000 0.267 272 P C -0.354 176.962 177.300 0.028 0.000 1.201 272 P CA 0.077 63.187 63.100 0.017 0.000 0.775 272 P CB 0.775 32.475 31.700 0.001 0.000 0.854 273 S N 1.447 117.177 115.700 0.051 0.000 2.788 273 S HA 0.698 5.168 4.470 -0.000 0.000 0.291 273 S C -0.572 174.075 174.600 0.079 0.000 1.061 273 S CA -0.391 57.846 58.200 0.061 0.000 0.923 273 S CB 0.135 63.378 63.200 0.071 0.000 1.339 273 S HN 0.462 nan 8.310 nan 0.000 0.591 274 A N 1.054 123.933 122.820 0.098 0.000 2.573 274 A HA 0.305 4.625 4.320 -0.000 0.000 0.250 274 A C 0.876 178.562 177.584 0.170 0.000 1.049 274 A CA 0.568 52.674 52.037 0.115 0.000 0.767 274 A CB -1.528 17.540 19.000 0.114 0.000 0.965 274 A HN 1.160 nan 8.150 nan 0.000 0.514 275 I N 1.068 121.683 120.570 0.075 0.000 6.250 275 I HA -0.352 3.818 4.170 -0.000 0.000 0.126 275 I C 1.331 177.351 176.117 -0.162 0.000 1.820 275 I CA 0.734 62.025 61.300 -0.016 0.000 2.062 275 I CB -2.172 35.845 38.000 0.028 0.000 3.453 275 I HN 1.593 nan 8.210 nan 0.000 0.177 276 G N -0.360 108.395 108.800 -0.076 0.000 2.186 276 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.266 276 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.266 276 G C 0.254 175.088 174.900 -0.110 0.000 0.982 276 G CA 0.741 45.781 45.100 -0.100 0.000 0.670 276 G HN 0.570 nan 8.290 nan 0.000 0.533 277 Y N 1.091 121.384 120.300 -0.011 0.000 2.279 277 Y HA 0.349 4.899 4.550 -0.000 0.000 0.350 277 Y C 1.450 177.332 175.900 -0.029 0.000 1.288 277 Y CA 0.048 58.132 58.100 -0.028 0.000 1.547 277 Y CB 0.366 38.812 38.460 -0.023 0.000 1.381 277 Y HN 0.435 nan 8.280 nan 0.000 0.630 278 Q N 3.082 122.992 119.800 0.182 0.000 2.340 278 Q HA 0.152 4.492 4.340 -0.000 0.000 0.249 278 Q C -2.312 173.723 176.000 0.059 0.000 0.957 278 Q CA -1.910 53.938 55.803 0.075 0.000 0.882 278 Q CB 0.944 29.703 28.738 0.035 0.000 1.235 278 Q HN 0.385 nan 8.270 nan 0.000 0.439 279 P HA -0.099 nan 4.420 nan 0.000 0.225 279 P C 0.857 178.169 177.300 0.019 0.000 1.148 279 P CA 1.029 64.147 63.100 0.030 0.000 0.779 279 P CB 0.182 31.896 31.700 0.023 0.000 0.780 280 T N -0.515 114.049 114.554 0.016 0.000 3.188 280 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 280 T C 1.434 176.128 174.700 -0.010 0.000 1.077 280 T CA -0.285 61.821 62.100 0.010 0.000 0.967 280 T CB -0.731 68.149 68.868 0.019 0.000 1.006 280 T HN -0.145 nan 8.240 nan 0.000 0.552 281 L N 2.168 123.371 121.223 -0.032 0.000 1.963 281 L HA -0.070 4.270 4.340 -0.000 0.000 0.220 281 L C 2.549 179.384 176.870 -0.058 0.000 1.076 281 L CA 2.644 57.432 54.840 -0.088 0.000 0.772 281 L CB -1.344 40.623 42.059 -0.154 0.000 0.892 281 L HN 0.238 nan 8.230 nan 0.000 0.435 282 A N -1.461 121.346 122.820 -0.021 0.000 1.873 282 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 282 A C 2.293 179.910 177.584 0.054 0.000 1.193 282 A CA 2.900 54.953 52.037 0.027 0.000 0.629 282 A CB -1.518 17.499 19.000 0.028 0.000 0.826 282 A HN 0.613 nan 8.150 nan 0.000 0.447 283 T N 0.092 114.671 114.554 0.042 0.000 2.665 283 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 283 T C 1.724 176.464 174.700 0.067 0.000 1.035 283 T CA 1.795 63.929 62.100 0.056 0.000 1.151 283 T CB -0.376 68.522 68.868 0.050 0.000 0.862 283 T HN 0.693 nan 8.240 nan 0.000 0.438 284 E N 0.268 120.498 120.200 0.050 0.000 2.153 284 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 284 E C 2.100 178.782 176.600 0.138 0.000 0.988 284 E CA 0.939 57.387 56.400 0.080 0.000 0.811 284 E CB -0.206 29.490 29.700 -0.006 0.000 0.746 284 E HN 0.325 nan 8.360 nan 0.000 0.466 285 M N 0.679 120.328 119.600 0.081 0.000 2.081 285 M HA 0.013 4.493 4.480 -0.000 0.000 0.261 285 M C 2.203 178.502 176.300 -0.002 0.000 1.075 285 M CA 2.028 57.395 55.300 0.111 0.000 1.133 285 M CB -0.852 31.803 32.600 0.092 0.000 1.330 285 M HN 0.058 nan 8.290 nan 0.000 0.414 286 G N -0.410 108.414 108.800 0.040 0.000 2.469 286 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 286 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 286 G C 1.444 176.335 174.900 -0.014 0.000 1.136 286 G CA 1.093 46.205 45.100 0.021 0.000 0.759 286 G HN 0.665 nan 8.290 nan 0.000 0.562 287 Q N -0.661 119.154 119.800 0.024 0.000 2.224 287 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 287 Q C 2.410 178.387 176.000 -0.038 0.000 0.970 287 Q CA 0.521 56.333 55.803 0.015 0.000 0.865 287 Q CB -0.195 28.574 28.738 0.053 0.000 0.922 287 Q HN 0.439 nan 8.270 nan 0.000 0.445 288 L N 0.608 121.800 121.223 -0.052 0.000 2.049 288 L HA -0.125 4.215 4.340 -0.000 0.000 0.203 288 L C 1.975 178.739 176.870 -0.177 0.000 1.074 288 L CA 1.659 56.413 54.840 -0.143 0.000 0.749 288 L CB -0.589 41.365 42.059 -0.175 0.000 0.907 288 L HN 0.242 nan 8.230 nan 0.000 0.439 289 Q N 0.032 119.700 119.800 -0.220 0.000 2.226 289 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 289 Q C 1.713 177.607 176.000 -0.176 0.000 0.975 289 Q CA 0.920 56.553 55.803 -0.283 0.000 0.866 289 Q CB -0.085 28.278 28.738 -0.625 0.000 0.915 289 Q HN 0.552 nan 8.270 nan 0.000 0.440 290 E N 0.484 120.616 120.200 -0.113 0.000 2.511 290 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 290 E C 1.557 178.129 176.600 -0.046 0.000 1.066 290 E CA 0.298 56.672 56.400 -0.042 0.000 0.871 290 E CB 0.074 29.777 29.700 0.005 0.000 0.863 290 E HN 0.321 nan 8.360 nan 0.000 0.520 291 R N -0.100 120.354 120.500 -0.075 0.000 2.189 291 R HA 0.216 4.556 4.340 -0.000 0.000 0.203 291 R C 0.903 177.155 176.300 -0.080 0.000 1.012 291 R CA 0.105 56.161 56.100 -0.073 0.000 1.015 291 R CB 0.335 30.580 30.300 -0.090 0.000 0.938 291 R HN 0.044 nan 8.270 nan 0.000 0.472 292 I N 2.911 123.421 120.570 -0.099 0.000 2.372 292 I HA 0.027 4.197 4.170 -0.000 0.000 0.298 292 I C -0.298 175.770 176.117 -0.081 0.000 1.137 292 I CA 0.378 61.616 61.300 -0.103 0.000 1.314 292 I CB -0.101 37.819 38.000 -0.134 0.000 1.444 292 I HN 0.217 nan 8.210 nan 0.000 0.541 293 T N 0.771 115.283 114.554 -0.069 0.000 2.677 293 T HA 0.301 4.651 4.350 -0.000 0.000 0.305 293 T C -0.532 174.135 174.700 -0.055 0.000 1.569 293 T CA -1.056 61.008 62.100 -0.059 0.000 0.984 293 T CB 1.364 70.203 68.868 -0.048 0.000 1.629 293 T HN 0.324 nan 8.240 nan 0.000 0.494 294 S N 0.707 116.375 115.700 -0.053 0.000 2.429 294 S HA 0.685 5.155 4.470 -0.000 0.000 0.302 294 S C 0.362 174.930 174.600 -0.052 0.000 1.115 294 S CA -0.502 57.669 58.200 -0.049 0.000 1.095 294 S CB 0.564 63.737 63.200 -0.046 0.000 0.987 294 S HN 1.059 nan 8.310 nan 0.000 0.474 295 T N 0.668 115.194 114.554 -0.048 0.000 2.902 295 T HA 0.704 5.054 4.350 -0.000 0.000 0.287 295 T C 1.654 176.326 174.700 -0.046 0.000 1.048 295 T CA -0.431 61.639 62.100 -0.050 0.000 0.941 295 T CB 0.084 68.927 68.868 -0.042 0.000 1.432 295 T HN 0.733 nan 8.240 nan 0.000 0.586 296 A N 0.236 123.030 122.820 -0.043 0.000 1.940 296 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 296 A C 2.219 179.786 177.584 -0.029 0.000 1.176 296 A CA 2.057 54.073 52.037 -0.036 0.000 0.631 296 A CB -0.875 18.106 19.000 -0.032 0.000 0.814 296 A HN 0.743 nan 8.150 nan 0.000 0.446 297 K N -0.939 119.444 120.400 -0.029 0.000 2.005 297 K HA 0.251 4.571 4.320 -0.000 0.000 0.214 297 K C 1.379 177.965 176.600 -0.023 0.000 1.030 297 K CA 1.366 57.638 56.287 -0.026 0.000 0.955 297 K CB -0.881 31.601 32.500 -0.031 0.000 0.767 297 K HN 0.356 nan 8.250 nan 0.000 0.446 298 G N -1.260 107.525 108.800 -0.026 0.000 3.099 298 G HA2 0.503 4.463 3.960 -0.000 0.000 0.151 298 G HA3 0.503 4.463 3.960 -0.000 0.000 0.151 298 G C -0.954 173.930 174.900 -0.027 0.000 1.265 298 G CA 0.124 45.211 45.100 -0.021 0.000 0.981 298 G HN 0.564 nan 8.290 nan 0.000 0.601 299 S N -1.861 113.823 115.700 -0.026 0.000 2.595 299 S HA 0.610 5.080 4.470 -0.000 0.000 0.270 299 S C -1.575 173.001 174.600 -0.039 0.000 1.145 299 S CA -0.799 57.379 58.200 -0.038 0.000 0.825 299 S CB 1.281 64.455 63.200 -0.043 0.000 1.107 299 S HN 0.683 nan 8.310 nan 0.000 0.461 300 I N 1.593 122.129 120.570 -0.056 0.000 2.500 300 I HA 0.403 4.573 4.170 -0.000 0.000 0.286 300 I C -0.842 175.213 176.117 -0.102 0.000 1.063 300 I CA -0.432 60.826 61.300 -0.071 0.000 1.062 300 I CB 2.323 40.279 38.000 -0.073 0.000 1.223 300 I HN 0.702 nan 8.210 nan 0.000 0.435 301 T N 3.514 117.991 114.554 -0.127 0.000 2.823 301 T HA 0.386 4.736 4.350 -0.000 0.000 0.279 301 T C -0.256 174.294 174.700 -0.250 0.000 0.998 301 T CA -0.556 61.444 62.100 -0.167 0.000 0.994 301 T CB 1.815 70.596 68.868 -0.145 0.000 0.960 301 T HN 0.541 nan 8.240 nan 0.000 0.448 302 S N 2.257 117.792 115.700 -0.276 0.000 2.500 302 S HA 0.697 5.167 4.470 -0.000 0.000 0.301 302 S C -0.841 173.528 174.600 -0.386 0.000 1.092 302 S CA -0.799 57.194 58.200 -0.343 0.000 1.030 302 S CB 0.345 63.385 63.200 -0.267 0.000 1.031 302 S HN 0.588 nan 8.310 nan 0.000 0.483 303 I N 4.288 124.578 120.570 -0.467 0.000 2.428 303 I HA 0.294 4.464 4.170 -0.000 0.000 0.279 303 I C -0.316 175.664 176.117 -0.227 0.000 1.040 303 I CA -0.258 60.827 61.300 -0.359 0.000 1.171 303 I CB 1.418 39.217 38.000 -0.334 0.000 1.312 303 I HN 0.585 nan 8.210 nan 0.000 0.470 304 Q N 4.798 124.464 119.800 -0.222 0.000 2.274 304 Q HA 0.628 4.968 4.340 -0.000 0.000 0.256 304 Q C -0.045 175.845 176.000 -0.183 0.000 0.927 304 Q CA -0.616 55.079 55.803 -0.181 0.000 0.939 304 Q CB 1.977 30.607 28.738 -0.180 0.000 1.201 304 Q HN 0.732 nan 8.270 nan 0.000 0.426 305 A N 4.367 127.122 122.820 -0.108 0.000 2.354 305 A HA 0.420 4.740 4.320 -0.000 0.000 0.281 305 A C -0.378 177.152 177.584 -0.089 0.000 1.174 305 A CA -0.319 51.659 52.037 -0.099 0.000 0.828 305 A CB 0.101 19.103 19.000 0.005 0.000 1.099 305 A HN 0.756 nan 8.150 nan 0.000 0.516 306 I N 2.310 122.760 120.570 -0.201 0.000 2.377 306 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 306 I C -1.116 175.139 176.117 0.229 0.000 0.987 306 I CA -0.420 60.863 61.300 -0.028 0.000 1.185 306 I CB 1.570 39.476 38.000 -0.156 0.000 1.341 306 I HN 0.688 nan 8.210 nan 0.000 0.455 307 Y N 7.206 127.556 120.300 0.084 0.000 2.488 307 Y HA 0.365 4.915 4.550 -0.000 0.000 0.330 307 Y C -0.179 175.592 175.900 -0.216 0.000 1.013 307 Y CA -1.344 56.761 58.100 0.009 0.000 1.304 307 Y CB 0.967 39.435 38.460 0.013 0.000 1.098 307 Y HN 0.325 nan 8.280 nan 0.000 0.498 308 V N 3.622 123.321 119.914 -0.359 0.000 2.963 308 V HA 0.361 4.481 4.120 -0.000 0.000 0.306 308 V C -2.364 173.242 176.094 -0.812 0.000 1.077 308 V CA -1.864 60.091 62.300 -0.574 0.000 1.124 308 V CB 0.285 31.720 31.823 -0.647 0.000 0.987 308 V HN 0.629 nan 8.190 nan 0.000 0.487 309 P HA 0.375 nan 4.420 nan 0.000 0.259 309 P C 0.185 177.277 177.300 -0.346 0.000 1.635 309 P CA 1.018 63.821 63.100 -0.494 0.000 1.199 309 P CB -0.125 31.450 31.700 -0.208 0.000 1.850 310 A N 4.145 126.732 122.820 -0.388 0.000 1.977 310 A HA -0.167 4.153 4.320 -0.000 0.000 0.256 310 A C 1.291 178.736 177.584 -0.232 0.000 1.365 310 A CA 0.855 52.739 52.037 -0.256 0.000 0.721 310 A CB -2.232 16.675 19.000 -0.154 0.000 1.192 310 A HN 0.831 nan 8.150 nan 0.000 0.289 311 D N -1.352 118.887 120.400 -0.268 0.000 2.601 311 D HA -0.270 4.370 4.640 -0.000 0.000 0.180 311 D C -0.088 176.029 176.300 -0.304 0.000 1.213 311 D CA 2.109 55.970 54.000 -0.230 0.000 1.112 311 D CB -1.329 39.417 40.800 -0.091 0.000 1.132 311 D HN 1.059 nan 8.370 nan 0.000 0.418 312 D N -0.843 119.387 120.400 -0.284 0.000 2.325 312 D HA 0.230 4.870 4.640 -0.000 0.000 0.251 312 D C -0.100 176.039 176.300 -0.268 0.000 1.196 312 D CA -0.281 53.601 54.000 -0.198 0.000 0.866 312 D CB 0.278 41.021 40.800 -0.095 0.000 1.101 312 D HN 0.322 nan 8.370 nan 0.000 0.476 313 Y N 0.988 121.261 120.300 -0.045 0.000 2.457 313 Y HA 0.056 4.606 4.550 -0.000 0.000 0.263 313 Y C 2.194 178.040 175.900 -0.090 0.000 1.164 313 Y CA 0.317 58.377 58.100 -0.066 0.000 1.274 313 Y CB 0.439 38.791 38.460 -0.180 0.000 1.097 313 Y HN 0.435 nan 8.280 nan 0.000 0.523 314 T N -3.901 110.688 114.554 0.059 0.000 3.060 314 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 314 T C 0.361 175.094 174.700 0.055 0.000 1.079 314 T CA -0.156 61.962 62.100 0.031 0.000 1.013 314 T CB -0.327 68.549 68.868 0.014 0.000 0.975 314 T HN 0.116 nan 8.240 nan 0.000 0.518 315 D N 2.810 123.255 120.400 0.075 0.000 2.488 315 D HA 0.115 4.755 4.640 -0.000 0.000 0.238 315 D C -1.333 175.040 176.300 0.121 0.000 1.138 315 D CA -1.479 52.601 54.000 0.134 0.000 0.873 315 D CB 0.978 41.874 40.800 0.161 0.000 1.183 315 D HN -0.057 nan 8.370 nan 0.000 0.458 316 P HA -0.333 nan 4.420 nan 0.000 0.216 316 P C 0.961 178.146 177.300 -0.191 0.000 1.167 316 P CA 2.685 65.723 63.100 -0.103 0.000 0.933 316 P CB -0.103 31.451 31.700 -0.243 0.000 0.793 317 A N -0.209 122.384 122.820 -0.379 0.000 1.863 317 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 317 A C 0.079 177.732 177.584 0.114 0.000 1.233 317 A CA 3.487 55.415 52.037 -0.180 0.000 0.655 317 A CB -2.556 16.454 19.000 0.017 0.000 0.839 317 A HN 0.270 nan 8.150 nan 0.000 0.454 318 P HA -0.081 nan 4.420 nan 0.000 0.219 318 P C 1.573 179.164 177.300 0.484 0.000 1.150 318 P CA 1.833 65.200 63.100 0.446 0.000 0.814 318 P CB -0.220 31.801 31.700 0.535 0.000 0.787 319 A N 0.451 123.419 122.820 0.248 0.000 1.892 319 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 319 A C 2.374 180.066 177.584 0.181 0.000 1.188 319 A CA 2.780 54.908 52.037 0.152 0.000 0.631 319 A CB -1.996 17.039 19.000 0.059 0.000 0.822 319 A HN 0.204 nan 8.150 nan 0.000 0.447 320 T N -0.241 114.390 114.554 0.128 0.000 2.708 320 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 320 T C 2.031 176.854 174.700 0.205 0.000 1.037 320 T CA 1.938 64.104 62.100 0.110 0.000 1.146 320 T CB -0.684 68.209 68.868 0.042 0.000 0.865 320 T HN 0.585 nan 8.240 nan 0.000 0.435 321 T N 1.968 116.672 114.554 0.250 0.000 2.622 321 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 321 T C 1.615 176.457 174.700 0.236 0.000 1.047 321 T CA 1.324 63.572 62.100 0.248 0.000 1.159 321 T CB -0.763 68.203 68.868 0.164 0.000 0.863 321 T HN 0.286 nan 8.240 nan 0.000 0.422 322 F N 2.106 122.143 119.950 0.145 0.000 2.225 322 F HA -0.167 4.360 4.527 -0.000 0.000 0.302 322 F C 2.745 178.568 175.800 0.038 0.000 1.068 322 F CA 0.970 59.035 58.000 0.108 0.000 1.327 322 F CB -0.966 38.089 39.000 0.091 0.000 1.043 322 F HN 0.095 nan 8.300 nan 0.000 0.506 323 S N -1.734 114.049 115.700 0.139 0.000 2.469 323 S HA -0.169 4.301 4.470 -0.000 0.000 0.238 323 S C 1.401 175.864 174.600 -0.228 0.000 0.998 323 S CA 1.008 59.158 58.200 -0.083 0.000 0.957 323 S CB -0.469 62.602 63.200 -0.215 0.000 0.764 323 S HN 0.521 nan 8.310 nan 0.000 0.514 324 H N -0.281 118.818 119.070 0.049 0.000 2.705 324 H HA 0.323 4.879 4.556 -0.000 0.000 0.269 324 H C 0.197 175.512 175.328 -0.021 0.000 0.998 324 H CA -0.103 55.949 56.048 0.008 0.000 1.193 324 H CB 0.255 30.014 29.762 -0.006 0.000 1.485 324 H HN 0.298 nan 8.280 nan 0.000 0.521 325 L N 2.004 123.274 121.223 0.078 0.000 2.367 325 L HA 0.068 4.408 4.340 -0.000 0.000 0.275 325 L C 0.810 177.689 176.870 0.016 0.000 1.129 325 L CA 0.123 54.965 54.840 0.003 0.000 0.839 325 L CB 0.945 42.969 42.059 -0.058 0.000 1.133 325 L HN 0.055 nan 8.230 nan 0.000 0.453 326 D N 2.222 122.612 120.400 -0.018 0.000 2.379 326 D HA 0.300 4.940 4.640 -0.000 0.000 0.208 326 D C 0.331 176.633 176.300 0.004 0.000 1.065 326 D CA 0.396 54.392 54.000 -0.007 0.000 0.848 326 D CB 1.266 42.051 40.800 -0.023 0.000 0.949 326 D HN 0.619 nan 8.370 nan 0.000 0.509 327 A N -0.213 122.602 122.820 -0.009 0.000 2.590 327 A HA 0.470 4.790 4.320 -0.000 0.000 0.294 327 A C -1.168 176.438 177.584 0.036 0.000 1.046 327 A CA -0.557 51.498 52.037 0.031 0.000 0.684 327 A CB 1.774 20.802 19.000 0.047 0.000 1.279 327 A HN -0.116 nan 8.150 nan 0.000 0.415 328 T N 0.661 115.290 114.554 0.124 0.000 2.848 328 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 328 T C -0.941 173.904 174.700 0.241 0.000 0.995 328 T CA -0.037 62.192 62.100 0.215 0.000 0.970 328 T CB 0.991 70.047 68.868 0.313 0.000 0.976 328 T HN 0.793 nan 8.240 nan 0.000 0.441 329 T N 5.804 120.517 114.554 0.265 0.000 2.893 329 T HA 0.420 4.770 4.350 -0.000 0.000 0.324 329 T C -0.323 174.555 174.700 0.296 0.000 1.082 329 T CA -0.827 61.435 62.100 0.269 0.000 0.983 329 T CB 0.109 69.156 68.868 0.298 0.000 1.005 329 T HN 0.549 nan 8.240 nan 0.000 0.475 330 N N 4.053 122.909 118.700 0.260 0.000 2.426 330 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 330 N C -0.637 174.984 175.510 0.185 0.000 1.002 330 N CA -0.411 52.792 53.050 0.256 0.000 0.942 330 N CB 1.772 40.361 38.487 0.169 0.000 1.112 330 N HN 0.498 nan 8.380 nan 0.000 0.499 331 L N 1.465 122.803 121.223 0.191 0.000 2.276 331 L HA 0.354 4.694 4.340 -0.000 0.000 0.286 331 L C 0.668 177.611 176.870 0.121 0.000 1.061 331 L CA -0.403 54.526 54.840 0.148 0.000 0.807 331 L CB 0.960 43.114 42.059 0.159 0.000 1.177 331 L HN 0.427 nan 8.230 nan 0.000 0.429 332 E N 3.275 123.522 120.200 0.078 0.000 2.183 332 E HA 0.201 4.551 4.350 -0.000 0.000 0.271 332 E C -0.089 176.526 176.600 0.024 0.000 0.919 332 E CA -0.799 55.634 56.400 0.054 0.000 0.781 332 E CB 1.353 31.074 29.700 0.035 0.000 1.140 332 E HN 0.414 nan 8.360 nan 0.000 0.402 333 R N 4.293 124.811 120.500 0.031 0.000 4.464 333 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 333 R C 0.250 176.545 176.300 -0.009 0.000 1.916 333 R CA 0.259 56.367 56.100 0.013 0.000 1.601 333 R CB 0.014 30.335 30.300 0.035 0.000 1.315 333 R HN 0.374 nan 8.270 nan 0.000 0.725 334 K N -0.387 119.996 120.400 -0.028 0.000 2.606 334 K HA 0.122 4.442 4.320 -0.000 0.000 0.199 334 K C 1.667 178.231 176.600 -0.060 0.000 1.403 334 K CA 0.222 56.490 56.287 -0.032 0.000 1.011 334 K CB -0.015 32.473 32.500 -0.020 0.000 1.623 334 K HN 0.201 nan 8.250 nan 0.000 0.512 335 L N 1.427 122.607 121.223 -0.071 0.000 2.131 335 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 335 L C 2.475 179.209 176.870 -0.227 0.000 1.092 335 L CA 1.390 56.173 54.840 -0.095 0.000 0.759 335 L CB -0.513 41.504 42.059 -0.070 0.000 0.903 335 L HN 0.107 nan 8.230 nan 0.000 0.435 336 A N 0.082 122.716 122.820 -0.311 0.000 1.873 336 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 336 A C 2.204 179.541 177.584 -0.412 0.000 1.186 336 A CA 1.530 53.180 52.037 -0.646 0.000 0.616 336 A CB -0.411 18.370 19.000 -0.366 0.000 0.823 336 A HN 0.420 nan 8.150 nan 0.000 0.442 337 E N -0.580 119.522 120.200 -0.163 0.000 2.110 337 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 337 E C 1.965 178.542 176.600 -0.039 0.000 0.988 337 E CA 1.369 57.732 56.400 -0.061 0.000 0.804 337 E CB -0.267 29.420 29.700 -0.022 0.000 0.745 337 E HN 0.648 nan 8.360 nan 0.000 0.458 338 M N -1.021 118.552 119.600 -0.046 0.000 2.476 338 M HA -0.013 4.467 4.480 -0.000 0.000 0.262 338 M C 1.418 177.744 176.300 0.043 0.000 1.079 338 M CA 1.141 56.461 55.300 0.033 0.000 1.104 338 M CB 0.331 32.971 32.600 0.067 0.000 1.409 338 M HN 0.353 nan 8.290 nan 0.000 0.467 339 G N 1.287 110.037 108.800 -0.084 0.000 2.176 339 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.232 339 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.232 339 G C 0.141 175.015 174.900 -0.044 0.000 0.986 339 G CA -0.433 44.652 45.100 -0.025 0.000 0.643 339 G HN 0.472 nan 8.290 nan 0.000 0.522 340 I N 1.587 122.089 120.570 -0.113 0.000 2.293 340 I HA 0.381 4.551 4.170 -0.000 0.000 0.299 340 I C -0.093 175.922 176.117 -0.171 0.000 1.153 340 I CA -0.515 60.769 61.300 -0.027 0.000 1.302 340 I CB -0.206 37.834 38.000 0.068 0.000 1.460 340 I HN 0.034 nan 8.210 nan 0.000 0.552 341 Y N 6.515 126.776 120.300 -0.064 0.000 2.377 341 Y HA 0.421 4.971 4.550 -0.000 0.000 0.339 341 Y C -2.179 173.545 175.900 -0.293 0.000 1.011 341 Y CA -2.993 55.025 58.100 -0.137 0.000 1.093 341 Y CB 1.270 39.642 38.460 -0.147 0.000 1.201 341 Y HN 0.379 nan 8.280 nan 0.000 0.455 342 P HA 0.087 nan 4.420 nan 0.000 0.267 342 P C -0.458 176.868 177.300 0.044 0.000 1.205 342 P CA -0.192 62.921 63.100 0.022 0.000 0.765 342 P CB 0.759 32.516 31.700 0.095 0.000 0.828 343 A N 3.789 126.648 122.820 0.065 0.000 2.711 343 A HA 0.162 4.482 4.320 -0.000 0.000 0.242 343 A C 0.259 177.874 177.584 0.051 0.000 1.607 343 A CA -0.107 51.926 52.037 -0.008 0.000 1.370 343 A CB -1.153 17.822 19.000 -0.040 0.000 0.934 343 A HN 0.397 nan 8.150 nan 0.000 0.628 344 V N 1.615 121.566 119.914 0.062 0.000 2.353 344 V HA 0.058 4.178 4.120 -0.000 0.000 0.264 344 V C 0.323 176.448 176.094 0.052 0.000 1.049 344 V CA -0.794 61.554 62.300 0.081 0.000 0.896 344 V CB 0.814 32.693 31.823 0.092 0.000 1.025 344 V HN 0.595 nan 8.190 nan 0.000 0.475 345 D N 8.878 129.312 120.400 0.057 0.000 2.426 345 D HA 0.017 4.657 4.640 -0.000 0.000 0.261 345 D C -1.067 175.251 176.300 0.029 0.000 1.245 345 D CA -1.359 52.662 54.000 0.036 0.000 0.917 345 D CB 1.587 42.411 40.800 0.040 0.000 1.123 345 D HN 0.320 nan 8.370 nan 0.000 0.508 346 P HA -0.030 nan 4.420 nan 0.000 0.242 346 P C 1.033 178.325 177.300 -0.012 0.000 1.197 346 P CA 0.447 63.541 63.100 -0.011 0.000 0.765 346 P CB 0.413 32.097 31.700 -0.028 0.000 0.936 347 L N -1.932 119.289 121.223 -0.003 0.000 2.878 347 L HA 0.176 4.516 4.340 -0.000 0.000 0.253 347 L C 1.939 178.807 176.870 -0.003 0.000 1.135 347 L CA 0.091 54.927 54.840 -0.007 0.000 0.943 347 L CB 0.520 42.571 42.059 -0.012 0.000 1.307 347 L HN -0.264 nan 8.230 nan 0.000 0.545 348 V N -1.835 118.083 119.914 0.007 0.000 3.307 348 V HA 0.124 4.244 4.120 -0.000 0.000 0.244 348 V C 1.041 177.151 176.094 0.027 0.000 1.196 348 V CA 0.258 62.560 62.300 0.002 0.000 1.132 348 V CB 0.926 32.745 31.823 -0.006 0.000 0.875 348 V HN 0.161 nan 8.190 nan 0.000 0.468 349 S N 2.228 117.962 115.700 0.056 0.000 2.509 349 S HA 0.291 4.761 4.470 -0.000 0.000 0.287 349 S C 0.408 175.057 174.600 0.082 0.000 1.248 349 S CA 0.154 58.412 58.200 0.097 0.000 1.089 349 S CB 0.171 63.440 63.200 0.114 0.000 0.900 349 S HN 0.737 nan 8.310 nan 0.000 0.496 350 T N 0.213 114.823 114.554 0.093 0.000 2.912 350 T HA 0.751 5.101 4.350 -0.000 0.000 0.288 350 T C -0.386 174.372 174.700 0.097 0.000 1.030 350 T CA -0.874 61.273 62.100 0.080 0.000 1.020 350 T CB 1.848 70.752 68.868 0.060 0.000 1.056 350 T HN 0.358 nan 8.240 nan 0.000 0.480 351 S N -0.045 115.706 115.700 0.085 0.000 2.548 351 S HA 0.401 4.871 4.470 -0.000 0.000 0.276 351 S C 0.735 175.370 174.600 0.058 0.000 1.129 351 S CA -0.882 57.367 58.200 0.082 0.000 0.931 351 S CB 1.773 65.034 63.200 0.101 0.000 1.068 351 S HN 0.804 nan 8.310 nan 0.000 0.480 352 R N 2.324 122.851 120.500 0.044 0.000 2.285 352 R HA 0.015 4.355 4.340 -0.000 0.000 0.213 352 R C 1.435 177.740 176.300 0.009 0.000 1.068 352 R CA 1.241 57.356 56.100 0.024 0.000 1.004 352 R CB -0.246 30.065 30.300 0.018 0.000 0.873 352 R HN 0.668 nan 8.270 nan 0.000 0.467 353 A N -0.042 122.788 122.820 0.016 0.000 2.308 353 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 353 A C 0.986 178.552 177.584 -0.029 0.000 1.216 353 A CA -0.249 51.783 52.037 -0.009 0.000 0.864 353 A CB 0.304 19.307 19.000 0.004 0.000 0.902 353 A HN 0.190 nan 8.150 nan 0.000 0.499 354 L N 1.676 122.910 121.223 0.019 0.000 2.423 354 L HA 0.483 4.823 4.340 -0.000 0.000 0.249 354 L C -0.187 176.738 176.870 0.091 0.000 1.276 354 L CA -0.103 54.782 54.840 0.075 0.000 1.199 354 L CB -0.130 42.014 42.059 0.142 0.000 1.407 354 L HN 0.332 nan 8.230 nan 0.000 0.410 355 A N 4.183 126.935 122.820 -0.113 0.000 2.398 355 A HA 0.611 4.931 4.320 -0.000 0.000 0.301 355 A C -1.959 175.382 177.584 -0.405 0.000 1.041 355 A CA -1.106 50.695 52.037 -0.394 0.000 0.711 355 A CB 1.440 20.302 19.000 -0.231 0.000 1.240 355 A HN 0.332 nan 8.150 nan 0.000 0.420 356 P HA -0.263 nan 4.420 nan 0.000 0.217 356 P C 0.799 178.007 177.300 -0.154 0.000 1.148 356 P CA 1.863 64.795 63.100 -0.279 0.000 0.828 356 P CB 0.089 31.623 31.700 -0.276 0.000 0.783 357 E N -0.403 119.692 120.200 -0.174 0.000 2.267 357 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 357 E C 1.972 178.527 176.600 -0.074 0.000 0.998 357 E CA 0.980 57.319 56.400 -0.102 0.000 0.830 357 E CB -0.718 28.923 29.700 -0.098 0.000 0.751 357 E HN 0.316 nan 8.360 nan 0.000 0.491 358 I N 0.261 120.777 120.570 -0.090 0.000 3.366 358 I HA -0.038 4.132 4.170 -0.000 0.000 0.267 358 I C 1.988 178.071 176.117 -0.056 0.000 1.149 358 I CA 0.367 61.629 61.300 -0.065 0.000 1.436 358 I CB 0.495 38.452 38.000 -0.071 0.000 1.379 358 I HN 0.106 nan 8.210 nan 0.000 0.460 359 V N -0.976 118.884 119.914 -0.092 0.000 3.650 359 V HA 0.530 4.650 4.120 -0.000 0.000 0.271 359 V C 0.949 177.064 176.094 0.036 0.000 1.281 359 V CA 0.133 62.383 62.300 -0.084 0.000 1.120 359 V CB -1.019 30.574 31.823 -0.384 0.000 0.856 359 V HN 0.500 nan 8.190 nan 0.000 0.443 360 G N 0.968 109.783 108.800 0.026 0.000 2.787 360 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.685 360 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.685 360 G C -0.054 174.929 174.900 0.138 0.000 1.437 360 G CA 0.182 45.323 45.100 0.067 0.000 0.872 360 G HN 0.379 nan 8.290 nan 0.000 0.566 361 E N -0.030 120.246 120.200 0.126 0.000 2.085 361 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 361 E C 2.245 178.944 176.600 0.165 0.000 0.994 361 E CA 1.704 58.203 56.400 0.163 0.000 0.801 361 E CB -0.111 29.657 29.700 0.113 0.000 0.743 361 E HN 0.717 nan 8.360 nan 0.000 0.453 362 E N -0.055 120.229 120.200 0.140 0.000 2.035 362 E HA -0.335 4.015 4.350 -0.000 0.000 0.204 362 E C 2.132 178.834 176.600 0.170 0.000 1.025 362 E CA 1.815 58.293 56.400 0.130 0.000 0.835 362 E CB -0.214 29.555 29.700 0.115 0.000 0.764 362 E HN 0.531 nan 8.360 nan 0.000 0.457 363 H N -1.685 117.441 119.070 0.093 0.000 2.276 363 H HA -0.182 4.374 4.556 -0.000 0.000 0.301 363 H C 2.230 177.612 175.328 0.089 0.000 1.073 363 H CA 1.653 57.754 56.048 0.087 0.000 1.311 363 H CB -0.254 29.564 29.762 0.092 0.000 1.379 363 H HN 0.265 nan 8.280 nan 0.000 0.494 364 Y N 1.583 122.005 120.300 0.203 0.000 2.053 364 Y HA -0.352 4.198 4.550 -0.000 0.000 0.277 364 Y C 2.663 178.614 175.900 0.085 0.000 1.159 364 Y CA 2.131 60.288 58.100 0.094 0.000 1.125 364 Y CB -0.515 37.956 38.460 0.019 0.000 0.969 364 Y HN 0.353 nan 8.280 nan 0.000 0.492 365 Q N -0.362 119.455 119.800 0.028 0.000 2.045 365 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 365 Q C 2.478 178.425 176.000 -0.089 0.000 0.991 365 Q CA 2.165 57.931 55.803 -0.062 0.000 0.851 365 Q CB -1.120 27.646 28.738 0.047 0.000 0.911 365 Q HN 0.486 nan 8.270 nan 0.000 0.418 366 V N 1.277 121.182 119.914 -0.015 0.000 2.332 366 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 366 V C 2.444 178.491 176.094 -0.078 0.000 1.055 366 V CA 1.798 64.089 62.300 -0.015 0.000 1.038 366 V CB -1.181 30.657 31.823 0.025 0.000 0.651 366 V HN 0.368 nan 8.190 nan 0.000 0.450 367 A N -0.225 122.543 122.820 -0.086 0.000 1.858 367 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 367 A C 2.386 179.859 177.584 -0.186 0.000 1.190 367 A CA 1.687 53.651 52.037 -0.121 0.000 0.617 367 A CB -0.573 18.431 19.000 0.005 0.000 0.827 367 A HN 0.337 nan 8.150 nan 0.000 0.443 368 R N -0.102 120.213 120.500 -0.308 0.000 2.193 368 R HA -0.094 4.246 4.340 -0.000 0.000 0.229 368 R C 2.072 178.274 176.300 -0.162 0.000 1.110 368 R CA 1.702 57.635 56.100 -0.279 0.000 0.988 368 R CB -0.417 29.619 30.300 -0.439 0.000 0.871 368 R HN 0.702 nan 8.270 nan 0.000 0.458 369 K N -0.193 120.124 120.400 -0.139 0.000 2.031 369 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 369 K C 1.874 178.436 176.600 -0.064 0.000 1.049 369 K CA 0.976 57.216 56.287 -0.079 0.000 0.939 369 K CB 0.049 32.518 32.500 -0.051 0.000 0.717 369 K HN -0.097 nan 8.250 nan 0.000 0.438 370 V N 1.812 121.674 119.914 -0.085 0.000 2.469 370 V HA -0.252 3.868 4.120 -0.000 0.000 0.251 370 V C 2.191 178.238 176.094 -0.079 0.000 1.064 370 V CA 1.803 64.050 62.300 -0.089 0.000 1.066 370 V CB -0.505 31.189 31.823 -0.215 0.000 0.667 370 V HN 0.423 nan 8.190 nan 0.000 0.461 371 Q N -0.810 118.937 119.800 -0.089 0.000 2.230 371 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 371 Q C 2.306 178.281 176.000 -0.041 0.000 0.963 371 Q CA 1.175 56.939 55.803 -0.064 0.000 0.866 371 Q CB -0.054 28.642 28.738 -0.070 0.000 0.931 371 Q HN 0.701 nan 8.270 nan 0.000 0.452 372 Q N -0.323 119.451 119.800 -0.043 0.000 2.123 372 Q HA -0.083 4.257 4.340 -0.000 0.000 0.196 372 Q C 2.276 178.272 176.000 -0.007 0.000 0.958 372 Q CA 1.666 57.453 55.803 -0.025 0.000 0.841 372 Q CB 0.101 28.820 28.738 -0.031 0.000 0.915 372 Q HN 0.465 nan 8.270 nan 0.000 0.455 373 T N 0.063 114.612 114.554 -0.008 0.000 2.759 373 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 373 T C 1.842 176.562 174.700 0.034 0.000 1.042 373 T CA 0.839 62.943 62.100 0.007 0.000 1.140 373 T CB -0.372 68.493 68.868 -0.006 0.000 0.864 373 T HN 0.129 nan 8.240 nan 0.000 0.455 374 L N 1.020 122.260 121.223 0.029 0.000 2.275 374 L HA -0.033 4.307 4.340 -0.000 0.000 0.215 374 L C 3.092 180.000 176.870 0.064 0.000 1.119 374 L CA 1.400 56.281 54.840 0.068 0.000 0.790 374 L CB -0.472 41.607 42.059 0.034 0.000 0.919 374 L HN 0.469 nan 8.230 nan 0.000 0.443 375 E N 0.552 120.769 120.200 0.028 0.000 2.031 375 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 375 E C 2.215 178.827 176.600 0.020 0.000 0.994 375 E CA 1.259 57.666 56.400 0.011 0.000 0.800 375 E CB 0.111 29.811 29.700 -0.000 0.000 0.752 375 E HN 0.309 nan 8.360 nan 0.000 0.447 376 R N -0.027 120.497 120.500 0.039 0.000 2.082 376 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 376 R C 2.378 178.726 176.300 0.079 0.000 1.136 376 R CA 1.898 58.027 56.100 0.048 0.000 0.935 376 R CB -1.402 28.930 30.300 0.054 0.000 0.842 376 R HN 0.335 nan 8.270 nan 0.000 0.430 377 Y N 1.806 122.090 120.300 -0.027 0.000 2.151 377 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 377 Y C 2.154 178.033 175.900 -0.034 0.000 1.166 377 Y CA 1.834 59.914 58.100 -0.032 0.000 1.163 377 Y CB -0.291 38.142 38.460 -0.046 0.000 0.974 377 Y HN 0.037 nan 8.280 nan 0.000 0.511 378 K N 0.532 120.860 120.400 -0.121 0.000 2.057 378 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 378 K C 1.991 178.495 176.600 -0.161 0.000 1.049 378 K CA 1.931 58.100 56.287 -0.197 0.000 0.931 378 K CB -0.258 32.188 32.500 -0.090 0.000 0.714 378 K HN 0.711 nan 8.250 nan 0.000 0.440 379 E N 0.443 120.589 120.200 -0.090 0.000 2.216 379 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 379 E C 2.107 178.666 176.600 -0.069 0.000 0.988 379 E CA 0.492 56.852 56.400 -0.067 0.000 0.834 379 E CB -0.249 29.430 29.700 -0.035 0.000 0.772 379 E HN 0.280 nan 8.360 nan 0.000 0.479 380 L N 0.617 121.799 121.223 -0.069 0.000 2.093 380 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 380 L C 2.783 179.607 176.870 -0.076 0.000 1.085 380 L CA 1.227 56.038 54.840 -0.048 0.000 0.755 380 L CB -0.498 41.564 42.059 0.006 0.000 0.904 380 L HN 0.211 nan 8.230 nan 0.000 0.435 381 Q N 0.755 120.460 119.800 -0.157 0.000 2.188 381 Q HA -0.320 4.020 4.340 -0.000 0.000 0.217 381 Q C 1.617 177.568 176.000 -0.082 0.000 1.018 381 Q CA 2.641 58.351 55.803 -0.155 0.000 0.910 381 Q CB -0.122 28.486 28.738 -0.217 0.000 0.979 381 Q HN 0.443 nan 8.270 nan 0.000 0.413 382 D N -0.822 119.536 120.400 -0.070 0.000 2.149 382 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 382 D C 1.669 177.951 176.300 -0.030 0.000 0.990 382 D CA 1.149 55.122 54.000 -0.045 0.000 0.839 382 D CB -0.178 40.597 40.800 -0.041 0.000 0.948 382 D HN 0.328 nan 8.370 nan 0.000 0.460 383 I N 0.882 121.436 120.570 -0.027 0.000 2.353 383 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 383 I C 2.276 178.389 176.117 -0.008 0.000 1.119 383 I CA 0.547 61.839 61.300 -0.014 0.000 1.417 383 I CB -0.766 37.229 38.000 -0.009 0.000 1.078 383 I HN 0.011 nan 8.210 nan 0.000 0.421 384 I N 1.700 122.264 120.570 -0.010 0.000 2.099 384 I HA -0.236 3.934 4.170 -0.000 0.000 0.239 384 I C 2.549 178.666 176.117 0.000 0.000 1.066 384 I CA 1.723 63.024 61.300 0.002 0.000 1.324 384 I CB -1.618 36.385 38.000 0.005 0.000 1.037 384 I HN 0.135 nan 8.210 nan 0.000 0.401 385 A N 0.027 122.842 122.820 -0.009 0.000 2.264 385 A HA -0.030 4.290 4.320 -0.000 0.000 0.207 385 A C 1.950 179.531 177.584 -0.005 0.000 1.196 385 A CA 0.921 52.954 52.037 -0.006 0.000 0.778 385 A CB -0.425 18.567 19.000 -0.013 0.000 0.779 385 A HN 0.361 nan 8.150 nan 0.000 0.483 386 I N -2.571 117.997 120.570 -0.004 0.000 3.518 386 I HA 0.125 4.295 4.170 -0.000 0.000 0.260 386 I C 1.604 177.721 176.117 -0.000 0.000 1.148 386 I CA 0.575 61.873 61.300 -0.003 0.000 1.440 386 I CB -0.748 37.249 38.000 -0.006 0.000 1.485 386 I HN 0.329 nan 8.210 nan 0.000 0.456 387 L N 1.037 122.260 121.223 0.000 0.000 2.607 387 L HA 0.499 4.839 4.340 -0.000 0.000 0.228 387 L C 0.813 177.685 176.870 0.005 0.000 1.123 387 L CA 0.669 55.510 54.840 0.002 0.000 0.890 387 L CB -0.345 41.715 42.059 0.001 0.000 1.103 387 L HN 0.445 nan 8.230 nan 0.000 0.468 388 G N -0.867 107.937 108.800 0.007 0.000 2.693 388 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.226 388 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.226 388 G C 0.398 175.306 174.900 0.014 0.000 1.354 388 G CA 0.036 45.143 45.100 0.011 0.000 0.873 388 G HN 0.015 nan 8.290 nan 0.000 0.562 389 M N 0.291 119.900 119.600 0.016 0.000 2.441 389 M HA 0.171 4.651 4.480 -0.000 0.000 0.244 389 M C 0.775 177.077 176.300 0.005 0.000 1.122 389 M CA -0.001 55.309 55.300 0.016 0.000 1.041 389 M CB -0.583 32.029 32.600 0.020 0.000 1.438 389 M HN 0.523 nan 8.290 nan 0.000 0.484 390 D N 3.052 123.455 120.400 0.003 0.000 2.389 390 D HA -0.027 4.613 4.640 -0.000 0.000 0.263 390 D C 0.547 176.846 176.300 -0.002 0.000 1.255 390 D CA 0.759 54.759 54.000 -0.001 0.000 0.914 390 D CB 0.271 41.071 40.800 0.001 0.000 1.116 390 D HN 0.332 nan 8.370 nan 0.000 0.502 391 E N 2.158 122.354 120.200 -0.006 0.000 2.476 391 E HA -0.242 4.108 4.350 -0.000 0.000 0.251 391 E C -0.419 176.180 176.600 -0.002 0.000 1.130 391 E CA -0.003 56.394 56.400 -0.005 0.000 0.736 391 E CB -0.843 28.854 29.700 -0.004 0.000 1.298 391 E HN 0.567 nan 8.360 nan 0.000 0.400 392 L N 1.791 123.014 121.223 0.000 0.000 2.623 392 L HA 0.011 4.351 4.340 -0.000 0.000 0.281 392 L C 0.821 177.694 176.870 0.005 0.000 1.150 392 L CA 0.736 55.579 54.840 0.006 0.000 0.965 392 L CB 0.116 42.183 42.059 0.014 0.000 1.303 392 L HN 0.350 nan 8.230 nan 0.000 0.467 393 S N 1.080 116.782 115.700 0.004 0.000 3.248 393 S HA -0.287 4.183 4.470 -0.000 0.000 0.277 393 S C 0.888 175.490 174.600 0.004 0.000 0.759 393 S CA 0.523 58.725 58.200 0.004 0.000 1.341 393 S CB -1.194 62.010 63.200 0.006 0.000 0.850 393 S HN 0.922 nan 8.310 nan 0.000 0.425 394 D N 1.186 121.587 120.400 0.000 0.000 3.447 394 D HA -0.355 4.285 4.640 -0.000 0.000 0.488 394 D C 1.224 177.526 176.300 0.004 0.000 0.709 394 D CA 2.581 56.580 54.000 -0.001 0.000 1.484 394 D CB -1.200 39.600 40.800 -0.000 0.000 0.486 394 D HN 0.811 nan 8.370 nan 0.000 0.406 395 E N 0.009 120.214 120.200 0.008 0.000 2.085 395 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 395 E C 1.519 178.130 176.600 0.018 0.000 0.994 395 E CA 1.643 58.050 56.400 0.013 0.000 0.801 395 E CB -0.080 29.627 29.700 0.012 0.000 0.743 395 E HN 0.338 nan 8.360 nan 0.000 0.453 396 D N 0.165 120.576 120.400 0.018 0.000 2.149 396 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 396 D C 1.725 178.045 176.300 0.033 0.000 0.990 396 D CA 0.966 54.982 54.000 0.027 0.000 0.839 396 D CB -0.017 40.798 40.800 0.025 0.000 0.948 396 D HN 0.114 nan 8.370 nan 0.000 0.460 397 K N -0.255 120.157 120.400 0.020 0.000 2.057 397 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 397 K C 1.999 178.613 176.600 0.022 0.000 1.050 397 K CA 0.249 56.542 56.287 0.010 0.000 0.935 397 K CB -0.169 32.318 32.500 -0.022 0.000 0.715 397 K HN 0.041 nan 8.250 nan 0.000 0.439 398 L N 0.770 122.009 121.223 0.027 0.000 2.127 398 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 398 L C 1.937 178.844 176.870 0.063 0.000 1.089 398 L CA 1.379 56.255 54.840 0.059 0.000 0.757 398 L CB -0.208 41.876 42.059 0.041 0.000 0.899 398 L HN -0.063 nan 8.230 nan 0.000 0.434 399 V N -1.619 118.317 119.914 0.037 0.000 2.346 399 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 399 V C 2.348 178.435 176.094 -0.012 0.000 1.037 399 V CA 1.418 63.729 62.300 0.017 0.000 1.029 399 V CB 0.194 32.035 31.823 0.030 0.000 0.663 399 V HN 0.294 nan 8.190 nan 0.000 0.454 400 V N -0.372 119.556 119.914 0.023 0.000 2.594 400 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 400 V C 2.172 178.190 176.094 -0.128 0.000 1.069 400 V CA 2.327 64.611 62.300 -0.027 0.000 1.082 400 V CB -0.978 30.912 31.823 0.112 0.000 0.680 400 V HN 0.683 nan 8.190 nan 0.000 0.469 401 H N 0.457 119.446 119.070 -0.135 0.000 2.260 401 H HA -0.072 4.484 4.556 -0.000 0.000 0.304 401 H C 2.709 177.932 175.328 -0.174 0.000 1.059 401 H CA 1.609 57.584 56.048 -0.122 0.000 1.305 401 H CB 0.221 29.952 29.762 -0.051 0.000 1.388 401 H HN 0.241 nan 8.280 nan 0.000 0.496 402 R N 0.411 120.850 120.500 -0.102 0.000 2.117 402 R HA -0.155 4.185 4.340 -0.000 0.000 0.243 402 R C 2.512 178.664 176.300 -0.246 0.000 1.143 402 R CA 0.993 56.975 56.100 -0.197 0.000 0.968 402 R CB -0.303 29.938 30.300 -0.099 0.000 0.863 402 R HN 0.318 nan 8.270 nan 0.000 0.444 403 A N 1.355 124.024 122.820 -0.251 0.000 1.851 403 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 403 A C 2.101 179.423 177.584 -0.437 0.000 1.195 403 A CA 1.474 53.325 52.037 -0.310 0.000 0.622 403 A CB -0.539 18.239 19.000 -0.369 0.000 0.831 403 A HN 0.228 nan 8.150 nan 0.000 0.444 404 R N -0.836 119.286 120.500 -0.630 0.000 2.170 404 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 404 R C 2.425 178.474 176.300 -0.417 0.000 1.145 404 R CA 1.654 57.389 56.100 -0.610 0.000 0.984 404 R CB -0.226 29.778 30.300 -0.493 0.000 0.869 404 R HN 0.547 nan 8.270 nan 0.000 0.455 405 R N -0.232 120.040 120.500 -0.381 0.000 2.093 405 R HA 0.009 4.349 4.340 -0.000 0.000 0.224 405 R C 2.269 178.339 176.300 -0.383 0.000 1.101 405 R CA 0.890 56.658 56.100 -0.553 0.000 0.979 405 R CB -0.189 29.473 30.300 -1.064 0.000 0.877 405 R HN 0.202 nan 8.270 nan 0.000 0.441 406 I N 1.934 122.357 120.570 -0.246 0.000 2.099 406 I HA -0.359 3.811 4.170 -0.000 0.000 0.239 406 I C 2.807 179.022 176.117 0.163 0.000 1.066 406 I CA 1.709 63.029 61.300 0.034 0.000 1.324 406 I CB -0.383 37.651 38.000 0.058 0.000 1.037 406 I HN 0.254 nan 8.210 nan 0.000 0.401 407 Q N -0.042 119.760 119.800 0.004 0.000 2.226 407 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 407 Q C 2.056 178.131 176.000 0.125 0.000 0.975 407 Q CA 1.631 57.447 55.803 0.020 0.000 0.866 407 Q CB -0.463 28.225 28.738 -0.083 0.000 0.915 407 Q HN 0.322 nan 8.270 nan 0.000 0.440 408 F N 0.248 120.226 119.950 0.047 0.000 2.234 408 F HA 0.027 4.554 4.527 -0.000 0.000 0.296 408 F C 1.847 177.714 175.800 0.112 0.000 1.089 408 F CA -0.244 57.799 58.000 0.072 0.000 1.343 408 F CB -0.682 38.378 39.000 0.100 0.000 1.040 408 F HN 0.105 nan 8.300 nan 0.000 0.498 409 F N 0.282 120.325 119.950 0.155 0.000 2.451 409 F HA -0.068 4.459 4.527 0.000 0.000 0.299 409 F C 1.738 177.592 175.800 0.091 0.000 1.101 409 F CA 0.964 58.976 58.000 0.021 0.000 1.436 409 F CB -0.537 38.290 39.000 -0.288 0.000 1.074 409 F HN -0.117 nan 8.300 nan 0.000 0.553 410 L N -0.312 120.967 121.223 0.093 0.000 2.395 410 L HA -0.026 4.314 4.340 -0.000 0.000 0.218 410 L C 1.445 178.281 176.870 -0.055 0.000 1.130 410 L CA 0.265 55.139 54.840 0.058 0.000 0.826 410 L CB -0.705 41.432 42.059 0.129 0.000 0.941 410 L HN 0.105 nan 8.230 nan 0.000 0.451 411 S N -0.849 114.827 115.700 -0.041 0.000 2.617 411 S HA 0.365 4.835 4.470 -0.000 0.000 0.259 411 S C -0.285 174.208 174.600 -0.178 0.000 1.301 411 S CA -0.542 57.607 58.200 -0.085 0.000 0.984 411 S CB 1.885 65.075 63.200 -0.017 0.000 0.954 411 S HN 0.235 nan 8.310 nan 0.000 0.572 412 Q N -0.635 119.011 119.800 -0.256 0.000 2.575 412 Q HA 0.288 4.628 4.340 -0.000 0.000 0.290 412 Q C -1.698 174.149 176.000 -0.255 0.000 0.963 412 Q CA -0.682 54.973 55.803 -0.247 0.000 0.783 412 Q CB 1.485 30.105 28.738 -0.197 0.000 1.467 412 Q HN 0.845 nan 8.270 nan 0.000 0.402 413 N N 2.027 120.664 118.700 -0.105 0.000 2.401 413 N HA 0.185 4.925 4.740 -0.000 0.000 0.255 413 N C -1.126 174.429 175.510 0.075 0.000 1.110 413 N CA 0.092 53.123 53.050 -0.031 0.000 0.949 413 N CB 0.420 38.918 38.487 0.019 0.000 1.110 413 N HN 0.199 nan 8.380 nan 0.000 0.490 414 F N 1.254 121.136 119.950 -0.113 0.000 2.396 414 F HA 0.177 4.704 4.527 0.000 0.000 0.343 414 F C 1.930 177.631 175.800 -0.164 0.000 1.104 414 F CA -1.109 56.778 58.000 -0.189 0.000 1.161 414 F CB 0.562 39.492 39.000 -0.117 0.000 1.146 414 F HN 0.493 nan 8.300 nan 0.000 0.522 415 H N 1.184 120.204 119.070 -0.083 0.000 2.422 415 H HA -0.086 4.470 4.556 -0.000 0.000 0.298 415 H C 1.757 176.974 175.328 -0.186 0.000 1.098 415 H CA 1.473 57.387 56.048 -0.224 0.000 1.315 415 H CB 0.161 29.539 29.762 -0.641 0.000 1.382 415 H HN 0.410 nan 8.280 nan 0.000 0.523 416 V N -1.697 118.178 119.914 -0.064 0.000 3.510 416 V HA 0.193 4.313 4.120 -0.000 0.000 0.270 416 V C 1.991 178.013 176.094 -0.120 0.000 1.201 416 V CA 0.926 63.181 62.300 -0.075 0.000 1.166 416 V CB -0.347 31.449 31.823 -0.045 0.000 0.825 416 V HN 0.412 nan 8.190 nan 0.000 0.484 417 A N 0.502 123.304 122.820 -0.030 0.000 1.984 417 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 417 A C 2.181 179.604 177.584 -0.268 0.000 1.173 417 A CA 0.942 52.960 52.037 -0.032 0.000 0.673 417 A CB -0.366 18.701 19.000 0.111 0.000 0.830 417 A HN 0.593 nan 8.150 nan 0.000 0.453 418 E N 0.282 120.372 120.200 -0.184 0.000 2.187 418 E HA -0.323 4.027 4.350 -0.000 0.000 0.199 418 E C 1.881 178.292 176.600 -0.314 0.000 1.004 418 E CA 1.584 57.883 56.400 -0.168 0.000 0.813 418 E CB -0.237 29.407 29.700 -0.094 0.000 0.736 418 E HN 0.716 nan 8.360 nan 0.000 0.468 419 Q N -1.245 118.202 119.800 -0.588 0.000 2.242 419 Q HA -0.208 4.132 4.340 -0.000 0.000 0.211 419 Q C 0.880 176.499 176.000 -0.635 0.000 0.992 419 Q CA 1.963 57.321 55.803 -0.743 0.000 0.889 419 Q CB -0.114 27.874 28.738 -1.249 0.000 0.913 419 Q HN 0.509 nan 8.270 nan 0.000 0.422 420 F N -3.763 116.174 119.950 -0.021 0.000 2.880 420 F HA 0.275 4.802 4.527 -0.000 0.000 0.328 420 F C 1.293 177.074 175.800 -0.031 0.000 1.146 420 F CA 0.163 58.146 58.000 -0.028 0.000 1.135 420 F CB -0.387 38.591 39.000 -0.036 0.000 1.151 420 F HN -0.117 nan 8.300 nan 0.000 0.523 421 T N -3.709 110.904 114.554 0.099 0.000 3.085 421 T HA 0.621 4.971 4.350 -0.000 0.000 0.241 421 T C 1.758 176.471 174.700 0.021 0.000 0.988 421 T CA 0.832 62.976 62.100 0.073 0.000 1.117 421 T CB 0.453 69.357 68.868 0.060 0.000 0.978 421 T HN 0.564 nan 8.240 nan 0.000 0.454 422 G N 1.211 110.005 108.800 -0.010 0.000 2.659 422 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.202 422 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.202 422 G C -0.079 174.812 174.900 -0.015 0.000 1.186 422 G CA -0.250 44.842 45.100 -0.014 0.000 0.783 422 G HN 0.662 nan 8.290 nan 0.000 0.521 423 Q N 2.011 121.807 119.800 -0.006 0.000 2.262 423 Q HA 0.244 4.584 4.340 -0.000 0.000 0.298 423 Q C -1.441 174.564 176.000 0.009 0.000 1.083 423 Q CA -0.400 55.404 55.803 0.001 0.000 0.962 423 Q CB 1.217 29.956 28.738 0.002 0.000 1.104 423 Q HN 0.297 nan 8.270 nan 0.000 0.376 424 P HA -0.161 nan 4.420 nan 0.000 0.216 424 P C -0.109 177.263 177.300 0.119 0.000 1.153 424 P CA 1.409 64.532 63.100 0.038 0.000 0.858 424 P CB 0.165 31.883 31.700 0.030 0.000 0.789 425 G N -2.262 106.634 108.800 0.161 0.000 2.592 425 G HA2 0.141 4.101 3.960 -0.000 0.000 0.685 425 G HA3 0.141 4.101 3.960 -0.000 0.000 0.685 425 G C -0.551 174.541 174.900 0.321 0.000 1.278 425 G CA -0.491 44.780 45.100 0.285 0.000 0.822 425 G HN 0.093 nan 8.290 nan 0.000 0.652 426 S N -0.336 115.426 115.700 0.103 0.000 2.786 426 S HA 0.865 5.335 4.470 -0.000 0.000 0.307 426 S C -0.813 173.870 174.600 0.138 0.000 1.121 426 S CA -0.600 57.685 58.200 0.142 0.000 0.975 426 S CB 2.177 65.408 63.200 0.051 0.000 1.220 426 S HN 1.765 nan 8.310 nan 0.000 0.550 427 Y N 0.578 120.918 120.300 0.066 0.000 2.681 427 Y HA 0.326 4.876 4.550 -0.000 0.000 0.280 427 Y C -0.912 175.020 175.900 0.053 0.000 1.079 427 Y CA -0.686 57.450 58.100 0.059 0.000 1.292 427 Y CB 0.193 38.742 38.460 0.150 0.000 1.126 427 Y HN 0.556 nan 8.280 nan 0.000 0.553 428 V N 7.022 126.908 119.914 -0.046 0.000 2.470 428 V HA 0.540 4.660 4.120 -0.000 0.000 0.276 428 V C -2.317 173.743 176.094 -0.058 0.000 1.040 428 V CA -1.586 60.718 62.300 0.006 0.000 1.008 428 V CB 0.858 32.677 31.823 -0.007 0.000 0.990 428 V HN 0.500 nan 8.190 nan 0.000 0.477 429 P HA 0.149 nan 4.420 nan 0.000 0.279 429 P C 1.171 178.504 177.300 0.054 0.000 1.239 429 P CA -0.082 63.077 63.100 0.098 0.000 0.789 429 P CB 1.678 33.489 31.700 0.187 0.000 0.933 430 V N 3.213 123.152 119.914 0.041 0.000 2.428 430 V HA -0.304 3.816 4.120 -0.000 0.000 0.255 430 V C 2.651 178.756 176.094 0.019 0.000 1.080 430 V CA 2.468 64.777 62.300 0.016 0.000 1.083 430 V CB -1.481 30.378 31.823 0.060 0.000 0.665 430 V HN 0.716 nan 8.190 nan 0.000 0.461 431 K N 0.012 120.449 120.400 0.061 0.000 2.002 431 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 431 K C 2.176 178.817 176.600 0.068 0.000 1.048 431 K CA 1.775 58.102 56.287 0.066 0.000 0.930 431 K CB -0.131 32.415 32.500 0.077 0.000 0.714 431 K HN 0.437 nan 8.250 nan 0.000 0.438 432 E N 0.122 120.369 120.200 0.079 0.000 2.208 432 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 432 E C 2.009 178.681 176.600 0.120 0.000 0.988 432 E CA 1.181 57.635 56.400 0.090 0.000 0.828 432 E CB -0.212 29.544 29.700 0.093 0.000 0.763 432 E HN 0.415 nan 8.360 nan 0.000 0.478 433 T N 1.235 115.860 114.554 0.119 0.000 2.701 433 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 433 T C 2.225 177.100 174.700 0.291 0.000 1.040 433 T CA 1.324 63.545 62.100 0.202 0.000 1.147 433 T CB -0.332 68.602 68.868 0.110 0.000 0.865 433 T HN -0.027 nan 8.240 nan 0.000 0.426 434 V N 1.980 121.966 119.914 0.119 0.000 2.287 434 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 434 V C 2.794 178.978 176.094 0.150 0.000 1.053 434 V CA 1.535 63.890 62.300 0.092 0.000 1.027 434 V CB -0.580 31.230 31.823 -0.022 0.000 0.646 434 V HN 0.317 nan 8.190 nan 0.000 0.447 435 R N 0.639 121.203 120.500 0.107 0.000 2.096 435 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 435 R C 2.507 178.836 176.300 0.048 0.000 1.139 435 R CA 1.731 57.878 56.100 0.078 0.000 0.952 435 R CB -1.618 28.721 30.300 0.065 0.000 0.854 435 R HN 0.575 nan 8.270 nan 0.000 0.436 436 G N 0.417 109.233 108.800 0.028 0.000 2.491 436 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 436 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 436 G C 1.314 176.010 174.900 -0.341 0.000 1.180 436 G CA 0.820 45.788 45.100 -0.220 0.000 0.774 436 G HN 0.260 nan 8.290 nan 0.000 0.562 437 F N 0.737 120.695 119.950 0.015 0.000 2.325 437 F HA 0.180 4.707 4.527 -0.000 0.000 0.299 437 F C 2.532 178.315 175.800 -0.029 0.000 1.090 437 F CA 1.135 59.130 58.000 -0.007 0.000 1.392 437 F CB -0.068 38.964 39.000 0.054 0.000 1.053 437 F HN 0.052 nan 8.300 nan 0.000 0.521 438 K N 0.800 121.289 120.400 0.147 0.000 1.978 438 K HA -0.222 4.098 4.320 -0.000 0.000 0.214 438 K C 1.954 178.587 176.600 0.055 0.000 1.049 438 K CA 2.103 58.443 56.287 0.089 0.000 0.939 438 K CB -0.185 32.360 32.500 0.075 0.000 0.721 438 K HN 0.221 nan 8.250 nan 0.000 0.441 439 E N 0.410 120.637 120.200 0.046 0.000 2.118 439 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 439 E C 2.075 178.714 176.600 0.065 0.000 0.992 439 E CA 1.348 57.786 56.400 0.062 0.000 0.804 439 E CB -0.141 29.635 29.700 0.127 0.000 0.741 439 E HN 0.332 nan 8.360 nan 0.000 0.458 440 I N 0.959 121.530 120.570 0.002 0.000 2.163 440 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 440 I C 2.314 178.411 176.117 -0.033 0.000 1.085 440 I CA 1.191 62.452 61.300 -0.065 0.000 1.347 440 I CB -0.231 37.604 38.000 -0.276 0.000 1.044 440 I HN 0.135 nan 8.210 nan 0.000 0.408 441 L N 0.185 121.409 121.223 0.002 0.000 2.191 441 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 441 L C 2.050 178.926 176.870 0.009 0.000 1.103 441 L CA 1.242 56.089 54.840 0.011 0.000 0.769 441 L CB -0.491 41.588 42.059 0.034 0.000 0.908 441 L HN 0.281 nan 8.230 nan 0.000 0.438 442 E N -0.158 120.050 120.200 0.014 0.000 2.511 442 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 442 E C 1.461 178.065 176.600 0.006 0.000 1.066 442 E CA 0.459 56.865 56.400 0.011 0.000 0.871 442 E CB 0.026 29.733 29.700 0.010 0.000 0.863 442 E HN 0.547 nan 8.360 nan 0.000 0.520 443 G N 2.160 110.964 108.800 0.006 0.000 2.168 443 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.263 443 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.263 443 G C 0.750 175.661 174.900 0.018 0.000 0.977 443 G CA 0.636 45.744 45.100 0.013 0.000 0.659 443 G HN 0.290 nan 8.290 nan 0.000 0.533 444 K N -0.870 119.520 120.400 -0.017 0.000 2.616 444 K HA 0.123 4.443 4.320 -0.000 0.000 0.192 444 K C 0.331 176.719 176.600 -0.353 0.000 1.031 444 K CA 0.751 56.953 56.287 -0.142 0.000 1.004 444 K CB -0.029 32.353 32.500 -0.197 0.000 0.810 444 K HN 0.614 nan 8.250 nan 0.000 0.497 445 Y N -1.032 119.257 120.300 -0.019 0.000 2.830 445 Y HA 0.087 4.637 4.550 -0.000 0.000 0.248 445 Y C 0.090 175.894 175.900 -0.160 0.000 1.119 445 Y CA -0.690 57.322 58.100 -0.147 0.000 1.164 445 Y CB 0.589 39.039 38.460 -0.017 0.000 1.237 445 Y HN -0.025 nan 8.280 nan 0.000 0.598 446 D N -0.453 119.970 120.400 0.038 0.000 2.363 446 D HA -0.072 4.568 4.640 -0.000 0.000 0.226 446 D C 1.647 178.008 176.300 0.101 0.000 1.020 446 D CA 0.951 54.959 54.000 0.015 0.000 0.892 446 D CB -0.051 40.807 40.800 0.097 0.000 0.900 446 D HN 0.615 nan 8.370 nan 0.000 0.531 447 H N -0.919 118.212 119.070 0.102 0.000 2.549 447 H HA 0.223 4.779 4.556 -0.000 0.000 0.279 447 H C 0.388 175.775 175.328 0.098 0.000 1.018 447 H CA -0.184 55.925 56.048 0.100 0.000 1.175 447 H CB 0.195 29.991 29.762 0.056 0.000 1.485 447 H HN 0.038 nan 8.280 nan 0.000 0.543 448 L N 3.032 124.189 121.223 -0.111 0.000 2.334 448 L HA 0.406 4.746 4.340 -0.000 0.000 0.275 448 L C -2.283 174.598 176.870 0.017 0.000 1.036 448 L CA -2.253 52.531 54.840 -0.093 0.000 0.807 448 L CB 1.668 43.573 42.059 -0.256 0.000 1.231 448 L HN -0.055 nan 8.230 nan 0.000 0.438 449 P HA 0.127 nan 4.420 nan 0.000 0.282 449 P C 0.085 177.421 177.300 0.061 0.000 1.274 449 P CA -0.221 62.903 63.100 0.040 0.000 0.770 449 P CB 1.231 32.934 31.700 0.005 0.000 0.867 450 E N 2.110 122.457 120.200 0.245 0.000 2.446 450 E HA -0.302 4.048 4.350 -0.000 0.000 0.248 450 E C 0.896 177.645 176.600 0.248 0.000 1.081 450 E CA 2.238 58.893 56.400 0.425 0.000 1.143 450 E CB -0.529 29.438 29.700 0.444 0.000 1.012 450 E HN 0.580 nan 8.360 nan 0.000 0.487 451 D N -0.285 120.106 120.400 -0.015 0.000 2.411 451 D HA -0.126 4.514 4.640 -0.000 0.000 0.226 451 D C 1.606 177.783 176.300 -0.205 0.000 0.988 451 D CA 0.631 54.527 54.000 -0.173 0.000 0.938 451 D CB -0.210 40.497 40.800 -0.154 0.000 0.883 451 D HN 0.246 nan 8.370 nan 0.000 0.525 452 R N -0.300 119.990 120.500 -0.350 0.000 2.115 452 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 452 R C 1.162 177.110 176.300 -0.585 0.000 1.100 452 R CA 0.676 56.435 56.100 -0.568 0.000 0.980 452 R CB -0.069 29.742 30.300 -0.816 0.000 0.875 452 R HN 0.256 nan 8.270 nan 0.000 0.445 453 F N 0.031 119.943 119.950 -0.063 0.000 2.693 453 F HA 0.296 4.823 4.527 -0.000 0.000 0.303 453 F C 0.710 176.537 175.800 0.046 0.000 1.097 453 F CA -0.560 57.453 58.000 0.022 0.000 1.330 453 F CB -0.164 38.862 39.000 0.044 0.000 1.067 453 F HN -0.319 nan 8.300 nan 0.000 0.565 454 R N 1.834 122.364 120.500 0.050 0.000 2.347 454 R HA 0.324 4.664 4.340 -0.000 0.000 0.304 454 R C 0.333 176.595 176.300 -0.064 0.000 1.072 454 R CA -0.189 55.866 56.100 -0.075 0.000 0.980 454 R CB 0.141 30.267 30.300 -0.290 0.000 0.986 454 R HN 0.345 nan 8.270 nan 0.000 0.448 455 L N 4.021 125.210 121.223 -0.056 0.000 3.795 455 L HA -0.279 4.061 4.340 -0.000 0.000 0.489 455 L C -0.115 176.722 176.870 -0.055 0.000 1.259 455 L CA 0.287 55.087 54.840 -0.068 0.000 0.765 455 L CB -1.780 40.239 42.059 -0.066 0.000 1.519 455 L HN 0.549 nan 8.230 nan 0.000 0.842 456 V N -3.357 116.527 119.914 -0.050 0.000 3.856 456 V HA 1.050 5.170 4.120 -0.000 0.000 0.302 456 V C 0.661 176.726 176.094 -0.048 0.000 1.389 456 V CA 0.216 62.502 62.300 -0.023 0.000 0.964 456 V CB 1.416 33.254 31.823 0.024 0.000 1.227 456 V HN 0.154 nan 8.190 nan 0.000 0.474 457 G N -0.590 108.211 108.800 0.003 0.000 2.851 457 G HA2 0.394 4.354 3.960 -0.000 0.000 0.208 457 G HA3 0.394 4.354 3.960 -0.000 0.000 0.208 457 G C 0.231 175.168 174.900 0.063 0.000 1.894 457 G CA -0.743 44.355 45.100 -0.003 0.000 0.732 457 G HN 0.760 nan 8.290 nan 0.000 0.802 458 R N -0.682 119.884 120.500 0.111 0.000 2.896 458 R HA 0.268 4.608 4.340 -0.000 0.000 0.283 458 R C 1.280 177.698 176.300 0.197 0.000 1.201 458 R CA -0.452 55.746 56.100 0.164 0.000 1.178 458 R CB 0.429 30.786 30.300 0.095 0.000 1.152 458 R HN 0.275 nan 8.270 nan 0.000 0.590 459 I N 1.069 121.664 120.570 0.042 0.000 3.059 459 I HA -0.088 4.082 4.170 -0.000 0.000 0.270 459 I C 1.362 177.374 176.117 -0.174 0.000 1.238 459 I CA 1.260 62.418 61.300 -0.236 0.000 1.478 459 I CB -0.254 37.473 38.000 -0.454 0.000 1.097 459 I HN 0.475 nan 8.210 nan 0.000 0.455 460 E N 0.902 121.077 120.200 -0.043 0.000 2.031 460 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 460 E C 2.025 178.606 176.600 -0.031 0.000 0.994 460 E CA 1.606 57.998 56.400 -0.013 0.000 0.800 460 E CB -0.320 29.391 29.700 0.018 0.000 0.752 460 E HN 0.520 nan 8.360 nan 0.000 0.447 461 E N 0.015 120.208 120.200 -0.012 0.000 2.273 461 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 461 E C 1.941 178.503 176.600 -0.064 0.000 1.002 461 E CA 1.034 57.423 56.400 -0.017 0.000 0.828 461 E CB -0.030 29.679 29.700 0.014 0.000 0.747 461 E HN 0.097 nan 8.360 nan 0.000 0.491 462 V N 0.565 120.411 119.914 -0.113 0.000 2.358 462 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 462 V C 2.289 178.245 176.094 -0.231 0.000 1.047 462 V CA 1.170 63.329 62.300 -0.234 0.000 1.035 462 V CB -0.256 31.340 31.823 -0.378 0.000 0.658 462 V HN 0.134 nan 8.190 nan 0.000 0.452 463 V N -0.040 119.788 119.914 -0.144 0.000 2.343 463 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 463 V C 2.603 178.666 176.094 -0.052 0.000 1.051 463 V CA 1.723 63.992 62.300 -0.052 0.000 1.036 463 V CB -0.608 31.236 31.823 0.035 0.000 0.654 463 V HN 0.540 nan 8.190 nan 0.000 0.451 464 E N 0.175 120.346 120.200 -0.049 0.000 2.150 464 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 464 E C 2.119 178.685 176.600 -0.058 0.000 0.985 464 E CA 1.008 57.385 56.400 -0.039 0.000 0.814 464 E CB -0.254 29.430 29.700 -0.027 0.000 0.752 464 E HN 0.484 nan 8.360 nan 0.000 0.466 465 K N 1.041 121.387 120.400 -0.090 0.000 2.288 465 K HA 0.045 4.365 4.320 -0.000 0.000 0.201 465 K C 1.786 178.312 176.600 -0.124 0.000 1.048 465 K CA 0.938 57.159 56.287 -0.110 0.000 0.956 465 K CB -0.161 32.248 32.500 -0.151 0.000 0.746 465 K HN 0.064 nan 8.250 nan 0.000 0.461 466 A N 0.941 123.686 122.820 -0.126 0.000 1.873 466 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 466 A C 1.036 178.584 177.584 -0.061 0.000 1.186 466 A CA 1.204 53.176 52.037 -0.109 0.000 0.616 466 A CB -0.305 18.644 19.000 -0.086 0.000 0.823 466 A HN 0.268 nan 8.150 nan 0.000 0.442 467 K N 0.255 120.629 120.400 -0.043 0.000 3.245 467 K HA 0.348 4.668 4.320 -0.000 0.000 0.285 467 K C 0.571 177.154 176.600 -0.030 0.000 1.156 467 K CA 0.180 56.451 56.287 -0.027 0.000 1.162 467 K CB -0.204 32.286 32.500 -0.017 0.000 1.365 467 K HN 0.473 nan 8.250 nan 0.000 0.316 468 A N 0.310 123.108 122.820 -0.037 0.000 1.876 468 A HA 0.244 4.564 4.320 -0.000 0.000 0.193 468 A C 1.060 178.626 177.584 -0.029 0.000 1.883 468 A CA -0.206 51.810 52.037 -0.035 0.000 1.052 468 A CB 0.388 19.360 19.000 -0.046 0.000 1.049 468 A HN 0.315 nan 8.150 nan 0.000 0.615 469 M N 0.278 119.857 119.600 -0.035 0.000 2.685 469 M HA 0.414 4.894 4.480 -0.000 0.000 0.355 469 M C 0.292 176.580 176.300 -0.020 0.000 1.197 469 M CA 0.310 55.595 55.300 -0.026 0.000 0.947 469 M CB 1.306 33.889 32.600 -0.028 0.000 1.346 469 M HN 0.577 nan 8.290 nan 0.000 0.516 470 G N 0.000 108.788 108.800 -0.019 0.000 5.446 470 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 470 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 470 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 470 G HN 0.000 nan 8.290 nan 0.000 0.925