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 2w6i_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.853 174.700 0.256 0.000 1.109 9 T CA 0.000 62.212 62.100 0.186 0.000 1.349 9 T CB 0.000 68.998 68.868 0.216 0.000 0.612 10 T N 1.875 116.546 114.554 0.194 0.000 2.809 10 T HA 0.723 5.075 4.350 0.003 0.000 0.296 10 T C 0.645 175.262 174.700 -0.140 0.000 1.015 10 T CA -0.570 61.566 62.100 0.059 0.000 0.954 10 T CB 1.309 70.186 68.868 0.015 0.000 0.950 10 T HN 1.066 nan 8.240 nan 0.000 0.450 11 G N 2.253 110.744 108.800 -0.515 0.000 2.521 11 G HA2 0.722 4.683 3.960 0.003 0.000 0.323 11 G HA3 0.722 4.683 3.960 0.003 0.000 0.323 11 G C -0.566 174.041 174.900 -0.487 0.000 1.211 11 G CA -0.922 43.580 45.100 -0.997 0.000 0.979 11 G HN 0.565 nan 8.290 nan 0.000 0.490 12 R N -1.120 119.138 120.500 -0.404 0.000 2.828 12 R HA 0.471 4.812 4.340 0.003 0.000 0.264 12 R C -0.425 175.759 176.300 -0.194 0.000 1.022 12 R CA -0.845 55.121 56.100 -0.222 0.000 1.021 12 R CB 2.087 32.297 30.300 -0.150 0.000 1.163 12 R HN 0.325 nan 8.270 nan 0.000 0.494 13 I N 2.537 123.035 120.570 -0.120 0.000 2.371 13 I HA 0.026 4.198 4.170 0.003 0.000 0.290 13 I C 1.394 177.471 176.117 -0.065 0.000 1.028 13 I CA -0.095 61.155 61.300 -0.083 0.000 1.345 13 I CB 1.570 39.537 38.000 -0.055 0.000 1.407 13 I HN 0.554 nan 8.210 nan 0.000 0.501 14 V N 3.144 123.026 119.914 -0.053 0.000 3.263 14 V HA 0.509 4.630 4.120 0.003 0.000 0.248 14 V C 0.658 176.737 176.094 -0.025 0.000 1.145 14 V CA 0.357 62.634 62.300 -0.038 0.000 1.107 14 V CB 0.050 31.853 31.823 -0.033 0.000 0.797 14 V HN 0.722 nan 8.190 nan 0.000 0.467 15 A N -0.487 122.321 122.820 -0.020 0.000 2.589 15 A HA 0.795 5.117 4.320 0.003 0.000 0.296 15 A C -1.334 176.244 177.584 -0.009 0.000 1.062 15 A CA -0.380 51.650 52.037 -0.012 0.000 0.686 15 A CB 2.182 21.177 19.000 -0.008 0.000 1.282 15 A HN 0.459 nan 8.150 nan 0.000 0.404 16 V N 2.123 122.033 119.914 -0.008 0.000 2.488 16 V HA 0.463 4.585 4.120 0.003 0.000 0.293 16 V C -0.898 175.194 176.094 -0.003 0.000 1.027 16 V CA 0.041 62.338 62.300 -0.005 0.000 0.862 16 V CB 1.246 33.066 31.823 -0.006 0.000 1.008 16 V HN 0.689 nan 8.190 nan 0.000 0.428 17 I N 4.934 125.503 120.570 -0.001 0.000 2.595 17 I HA 0.633 4.805 4.170 0.003 0.000 0.275 17 I C 0.973 177.089 176.117 -0.001 0.000 1.092 17 I CA 0.202 61.501 61.300 -0.002 0.000 1.145 17 I CB 1.142 39.142 38.000 -0.001 0.000 1.276 17 I HN 0.866 nan 8.210 nan 0.000 0.497 18 G N 4.394 113.193 108.800 -0.002 0.000 2.531 18 G HA2 -0.277 3.685 3.960 0.003 0.000 0.274 18 G HA3 -0.277 3.685 3.960 0.003 0.000 0.274 18 G C 0.518 175.418 174.900 -0.000 0.000 1.159 18 G CA 0.127 45.225 45.100 -0.002 0.000 0.969 18 G HN 0.834 nan 8.290 nan 0.000 0.554 19 A N -0.591 122.229 122.820 0.000 0.000 2.734 19 A HA 0.627 4.948 4.320 0.003 0.000 0.279 19 A C 0.203 177.791 177.584 0.006 0.000 1.386 19 A CA 0.910 52.949 52.037 0.003 0.000 0.987 19 A CB -0.113 18.888 19.000 0.002 0.000 1.041 19 A HN 1.572 nan 8.150 nan 0.000 0.569 20 V N 0.848 120.766 119.914 0.006 0.000 2.447 20 V HA 0.280 4.401 4.120 0.003 0.000 0.292 20 V C -0.665 175.435 176.094 0.010 0.000 1.021 20 V CA -0.492 61.814 62.300 0.010 0.000 0.850 20 V CB 1.690 33.517 31.823 0.008 0.000 1.005 20 V HN 0.159 nan 8.190 nan 0.000 0.426 21 V N 3.605 123.528 119.914 0.015 0.000 2.435 21 V HA 0.541 4.663 4.120 0.003 0.000 0.290 21 V C -0.525 175.581 176.094 0.019 0.000 1.030 21 V CA -0.662 61.646 62.300 0.013 0.000 0.881 21 V CB 1.940 33.771 31.823 0.012 0.000 0.983 21 V HN 0.739 nan 8.190 nan 0.000 0.445 22 D N 3.003 123.408 120.400 0.010 0.000 2.193 22 D HA 0.617 5.259 4.640 0.003 0.000 0.244 22 D C -0.626 175.674 176.300 -0.001 0.000 1.064 22 D CA -0.063 53.946 54.000 0.015 0.000 0.845 22 D CB 2.190 42.996 40.800 0.009 0.000 1.148 22 D HN 0.290 nan 8.370 nan 0.000 0.464 23 V N 2.297 122.221 119.914 0.017 0.000 2.588 23 V HA 0.336 4.457 4.120 0.003 0.000 0.304 23 V C -0.246 175.826 176.094 -0.037 0.000 1.042 23 V CA -0.890 61.383 62.300 -0.046 0.000 0.877 23 V CB 1.922 33.731 31.823 -0.023 0.000 0.996 23 V HN 0.405 nan 8.190 nan 0.000 0.425 24 Q N 3.288 122.999 119.800 -0.148 0.000 2.307 24 Q HA 0.586 4.928 4.340 0.003 0.000 0.262 24 Q C -1.828 174.032 176.000 -0.233 0.000 0.961 24 Q CA -0.477 55.275 55.803 -0.085 0.000 0.882 24 Q CB 1.275 29.976 28.738 -0.063 0.000 1.264 24 Q HN 0.621 nan 8.270 nan 0.000 0.446 25 F N 2.463 122.385 119.950 -0.046 0.000 2.421 25 F HA 0.246 4.782 4.527 0.014 0.000 0.337 25 F C 0.969 176.750 175.800 -0.031 0.000 1.105 25 F CA -0.382 57.596 58.000 -0.037 0.000 1.049 25 F CB 1.488 40.460 39.000 -0.046 0.000 1.139 25 F HN 0.647 nan 8.300 nan 0.000 0.479 26 D N 1.483 121.954 120.400 0.118 0.000 2.146 26 D HA -0.027 4.615 4.640 0.003 0.000 0.209 26 D C -0.186 176.163 176.300 0.082 0.000 0.973 26 D CA 1.211 55.251 54.000 0.067 0.000 0.860 26 D CB 0.250 41.067 40.800 0.028 0.000 1.015 26 D HN 0.517 nan 8.370 nan 0.000 0.465 27 E N -0.440 119.820 120.200 0.100 0.000 2.187 27 E HA 0.522 4.874 4.350 0.003 0.000 0.268 27 E C -0.325 176.325 176.600 0.084 0.000 0.896 27 E CA -0.556 55.888 56.400 0.072 0.000 0.766 27 E CB 2.135 31.866 29.700 0.051 0.000 1.142 27 E HN 0.189 nan 8.360 nan 0.000 0.408 28 G N 2.303 111.122 108.800 0.032 0.000 3.273 28 G HA2 -0.196 3.766 3.960 0.003 0.000 0.325 28 G HA3 -0.196 3.766 3.960 0.003 0.000 0.325 28 G C -1.063 173.740 174.900 -0.161 0.000 0.960 28 G CA -0.723 44.359 45.100 -0.029 0.000 0.808 28 G HN 0.323 nan 8.290 nan 0.000 0.387 29 L N 5.966 127.059 121.223 -0.216 0.000 2.264 29 L HA 0.619 4.961 4.340 0.003 0.000 0.289 29 L C -1.384 175.262 176.870 -0.374 0.000 1.044 29 L CA -2.153 52.433 54.840 -0.423 0.000 0.807 29 L CB 0.966 42.862 42.059 -0.272 0.000 1.192 29 L HN 0.413 nan 8.230 nan 0.000 0.425 30 P HA 0.155 nan 4.420 nan 0.000 0.265 30 P C -2.654 174.660 177.300 0.024 0.000 1.193 30 P CA -0.953 61.987 63.100 -0.267 0.000 0.765 30 P CB -0.255 31.267 31.700 -0.297 0.000 0.823 31 P HA 0.144 nan 4.420 nan 0.000 0.273 31 P C 0.271 177.577 177.300 0.010 0.000 1.250 31 P CA -0.178 62.931 63.100 0.016 0.000 0.793 31 P CB 0.659 32.333 31.700 -0.042 0.000 1.011 32 I N 1.408 121.900 120.570 -0.131 0.000 2.618 32 I HA -0.045 4.126 4.170 0.003 0.000 0.284 32 I C 1.488 177.558 176.117 -0.078 0.000 1.146 32 I CA 0.675 61.919 61.300 -0.094 0.000 1.425 32 I CB -0.296 37.599 38.000 -0.175 0.000 1.383 32 I HN 0.397 nan 8.210 nan 0.000 0.562 33 L N 2.326 123.516 121.223 -0.056 0.000 2.583 33 L HA -0.213 4.129 4.340 0.003 0.000 0.464 33 L C 0.275 177.174 176.870 0.048 0.000 0.736 33 L CA -0.074 54.726 54.840 -0.066 0.000 2.687 33 L CB -1.329 40.608 42.059 -0.203 0.000 1.013 33 L HN 0.636 nan 8.230 nan 0.000 0.629 34 N N 1.095 119.817 118.700 0.036 0.000 2.381 34 N HA 0.460 5.201 4.740 0.003 0.000 0.241 34 N C 0.204 175.757 175.510 0.072 0.000 1.279 34 N CA 1.002 54.083 53.050 0.052 0.000 0.896 34 N CB 0.716 39.217 38.487 0.023 0.000 1.118 34 N HN 0.315 nan 8.380 nan 0.000 0.438 35 A N 1.857 124.721 122.820 0.072 0.000 2.292 35 A HA 0.601 4.923 4.320 0.003 0.000 0.319 35 A C -0.560 177.069 177.584 0.076 0.000 1.206 35 A CA -0.630 51.450 52.037 0.072 0.000 0.835 35 A CB 0.223 19.259 19.000 0.060 0.000 1.164 35 A HN 0.566 nan 8.150 nan 0.000 0.505 36 L N 1.922 123.198 121.223 0.088 0.000 2.334 36 L HA 0.546 4.888 4.340 0.003 0.000 0.273 36 L C -0.233 176.684 176.870 0.078 0.000 1.013 36 L CA -0.826 54.079 54.840 0.109 0.000 0.816 36 L CB 1.653 43.808 42.059 0.160 0.000 1.278 36 L HN 0.623 nan 8.230 nan 0.000 0.431 37 E N 2.056 122.298 120.200 0.071 0.000 2.166 37 E HA 0.360 4.712 4.350 0.003 0.000 0.275 37 E C -0.874 175.747 176.600 0.036 0.000 0.941 37 E CA -0.676 55.752 56.400 0.047 0.000 0.784 37 E CB 2.913 32.639 29.700 0.042 0.000 1.115 37 E HN 0.201 nan 8.360 nan 0.000 0.399 38 V N 3.612 123.540 119.914 0.023 0.000 2.530 38 V HA 0.037 4.159 4.120 0.003 0.000 0.282 38 V C 0.430 176.527 176.094 0.006 0.000 1.048 38 V CA -0.607 61.699 62.300 0.009 0.000 0.997 38 V CB 1.021 32.847 31.823 0.006 0.000 0.987 38 V HN 0.474 nan 8.190 nan 0.000 0.477 39 Q N 2.649 122.448 119.800 -0.001 0.000 2.261 39 Q HA 0.459 4.801 4.340 0.003 0.000 0.252 39 Q C 0.931 176.929 176.000 -0.003 0.000 0.915 39 Q CA 0.519 56.321 55.803 -0.001 0.000 0.915 39 Q CB 1.300 30.035 28.738 -0.005 0.000 1.204 39 Q HN 1.185 nan 8.270 nan 0.000 0.421 40 G N 2.728 111.528 108.800 -0.000 0.000 2.325 40 G HA2 -0.236 3.726 3.960 0.003 0.000 0.248 40 G HA3 -0.236 3.726 3.960 0.003 0.000 0.248 40 G C -0.273 174.627 174.900 -0.001 0.000 1.108 40 G CA -0.306 44.793 45.100 -0.001 0.000 0.881 40 G HN 0.448 nan 8.290 nan 0.000 0.494 41 R N -0.376 120.125 120.500 0.002 0.000 2.532 41 R HA 0.323 4.664 4.340 0.003 0.000 0.297 41 R C 1.088 177.390 176.300 0.004 0.000 0.984 41 R CA -0.942 55.159 56.100 0.002 0.000 0.884 41 R CB 1.138 31.440 30.300 0.003 0.000 1.182 41 R HN 0.120 nan 8.270 nan 0.000 0.442 42 E N 0.696 120.898 120.200 0.003 0.000 2.217 42 E HA -0.236 4.115 4.350 0.003 0.000 0.219 42 E C 0.752 177.355 176.600 0.005 0.000 1.070 42 E CA 2.361 58.763 56.400 0.004 0.000 0.889 42 E CB 0.132 29.834 29.700 0.003 0.000 0.768 42 E HN 0.727 nan 8.360 nan 0.000 0.465 43 T N -3.037 111.520 114.554 0.004 0.000 2.888 43 T HA 0.523 4.875 4.350 0.003 0.000 0.288 43 T C -0.048 174.655 174.700 0.005 0.000 1.063 43 T CA -0.947 61.155 62.100 0.005 0.000 1.010 43 T CB 2.202 71.073 68.868 0.004 0.000 1.214 43 T HN -0.063 nan 8.240 nan 0.000 0.533 44 R N 0.429 120.932 120.500 0.005 0.000 2.370 44 R HA 0.427 4.769 4.340 0.003 0.000 0.309 44 R C -1.149 175.156 176.300 0.007 0.000 1.059 44 R CA -0.521 55.583 56.100 0.006 0.000 0.981 44 R CB -0.136 30.166 30.300 0.003 0.000 0.972 44 R HN 0.522 nan 8.270 nan 0.000 0.437 45 L N 6.083 127.312 121.223 0.010 0.000 2.318 45 L HA 0.336 4.678 4.340 0.003 0.000 0.277 45 L C -1.259 175.622 176.870 0.019 0.000 1.008 45 L CA -0.472 54.376 54.840 0.013 0.000 0.846 45 L CB 1.814 43.879 42.059 0.011 0.000 1.220 45 L HN 0.324 nan 8.230 nan 0.000 0.423 46 V N 6.357 126.283 119.914 0.020 0.000 2.394 46 V HA 0.399 4.520 4.120 0.003 0.000 0.282 46 V C 0.063 176.178 176.094 0.036 0.000 1.031 46 V CA -0.550 61.768 62.300 0.029 0.000 0.881 46 V CB 1.566 33.403 31.823 0.023 0.000 0.982 46 V HN 0.518 nan 8.190 nan 0.000 0.451 47 L N 4.756 126.007 121.223 0.047 0.000 2.262 47 L HA 0.491 4.833 4.340 0.003 0.000 0.288 47 L C 0.408 177.318 176.870 0.066 0.000 1.035 47 L CA -0.172 54.700 54.840 0.053 0.000 0.820 47 L CB 1.296 43.392 42.059 0.061 0.000 1.204 47 L HN 0.711 nan 8.230 nan 0.000 0.424 48 E N 2.788 123.027 120.200 0.066 0.000 2.331 48 E HA 0.285 4.637 4.350 0.003 0.000 0.272 48 E C -0.865 175.777 176.600 0.070 0.000 1.036 48 E CA -0.678 55.770 56.400 0.079 0.000 0.864 48 E CB 1.598 31.359 29.700 0.102 0.000 1.035 48 E HN 0.275 nan 8.360 nan 0.000 0.408 49 V N 3.534 123.489 119.914 0.068 0.000 2.686 49 V HA 0.277 4.399 4.120 0.003 0.000 0.295 49 V C 0.747 176.865 176.094 0.040 0.000 1.055 49 V CA 0.793 63.135 62.300 0.070 0.000 1.050 49 V CB 1.123 32.997 31.823 0.085 0.000 0.984 49 V HN 0.910 nan 8.190 nan 0.000 0.482 50 A N 3.828 126.678 122.820 0.051 0.000 2.140 50 A HA 0.415 4.737 4.320 0.003 0.000 0.199 50 A C 0.485 178.087 177.584 0.029 0.000 1.416 50 A CA 0.072 52.120 52.037 0.019 0.000 1.018 50 A CB 0.515 19.524 19.000 0.016 0.000 1.117 50 A HN 0.770 nan 8.150 nan 0.000 0.480 51 Q N -1.126 118.727 119.800 0.088 0.000 2.522 51 Q HA 0.337 4.679 4.340 0.003 0.000 0.285 51 Q C -1.646 174.512 176.000 0.264 0.000 0.982 51 Q CA -0.637 55.232 55.803 0.111 0.000 0.805 51 Q CB 1.477 30.255 28.738 0.066 0.000 1.457 51 Q HN 0.543 nan 8.270 nan 0.000 0.394 52 H N 1.995 121.063 119.070 -0.003 0.000 2.680 52 H HA 0.234 4.795 4.556 0.007 0.000 0.260 52 H C 0.636 175.968 175.328 0.008 0.000 1.328 52 H CA -0.165 55.884 56.048 0.002 0.000 1.269 52 H CB 0.502 30.258 29.762 -0.009 0.000 1.446 52 H HN 0.436 nan 8.280 nan 0.000 0.527 53 L N 2.041 123.310 121.223 0.076 0.000 2.551 53 L HA -0.023 4.319 4.340 0.003 0.000 0.230 53 L C 1.228 178.118 176.870 0.033 0.000 1.163 53 L CA 0.689 55.556 54.840 0.046 0.000 0.826 53 L CB -0.512 41.565 42.059 0.029 0.000 0.943 53 L HN 0.737 nan 8.230 nan 0.000 0.452 54 G N 0.379 109.195 108.800 0.027 0.000 2.705 54 G HA2 -0.187 3.775 3.960 0.003 0.000 0.686 54 G HA3 -0.187 3.775 3.960 0.003 0.000 0.686 54 G C 0.055 174.958 174.900 0.005 0.000 1.285 54 G CA -0.269 44.842 45.100 0.019 0.000 0.800 54 G HN 0.414 nan 8.290 nan 0.000 0.611 55 E N -0.564 119.639 120.200 0.004 0.000 2.645 55 E HA -0.172 4.179 4.350 0.003 0.000 0.282 55 E C 1.011 177.613 176.600 0.002 0.000 1.013 55 E CA 1.055 57.457 56.400 0.004 0.000 0.842 55 E CB -1.616 28.087 29.700 0.004 0.000 1.396 55 E HN 2.109 nan 8.360 nan 0.000 0.404 56 S N -1.985 113.711 115.700 -0.007 0.000 3.561 56 S HA -0.210 4.262 4.470 0.003 0.000 0.318 56 S C 0.093 174.710 174.600 0.027 0.000 1.181 56 S CA 1.519 59.722 58.200 0.006 0.000 0.916 56 S CB -1.004 62.218 63.200 0.037 0.000 0.966 56 S HN 0.439 nan 8.310 nan 0.000 0.550 57 T N 1.395 115.944 114.554 -0.009 0.000 2.863 57 T HA 0.643 4.995 4.350 0.003 0.000 0.285 57 T C 0.236 174.927 174.700 -0.015 0.000 1.009 57 T CA -0.359 61.753 62.100 0.020 0.000 0.989 57 T CB 1.920 70.795 68.868 0.012 0.000 1.004 57 T HN 0.473 nan 8.240 nan 0.000 0.455 58 V N 1.180 121.120 119.914 0.043 0.000 2.732 58 V HA 0.772 4.893 4.120 0.003 0.000 0.310 58 V C -0.222 175.914 176.094 0.069 0.000 1.053 58 V CA -1.356 60.966 62.300 0.037 0.000 0.957 58 V CB 1.591 33.460 31.823 0.077 0.000 1.018 58 V HN 0.850 nan 8.190 nan 0.000 0.452 59 R N 2.135 122.680 120.500 0.074 0.000 2.310 59 R HA 0.684 5.026 4.340 0.003 0.000 0.324 59 R C -0.161 176.177 176.300 0.063 0.000 0.955 59 R CA 0.213 56.347 56.100 0.058 0.000 0.830 59 R CB 1.332 31.659 30.300 0.045 0.000 1.154 59 R HN 1.162 nan 8.270 nan 0.000 0.458 60 T N 1.737 116.325 114.554 0.056 0.000 2.926 60 T HA 0.584 4.935 4.350 0.003 0.000 0.289 60 T C 0.174 174.897 174.700 0.039 0.000 1.054 60 T CA -1.030 61.103 62.100 0.055 0.000 1.015 60 T CB 1.185 70.094 68.868 0.068 0.000 1.167 60 T HN 0.563 nan 8.240 nan 0.000 0.526 61 I N -0.389 120.204 120.570 0.038 0.000 2.389 61 I HA 0.800 4.971 4.170 0.003 0.000 0.288 61 I C 0.228 176.363 176.117 0.031 0.000 0.999 61 I CA -1.465 59.852 61.300 0.028 0.000 1.129 61 I CB 1.195 39.209 38.000 0.023 0.000 1.288 61 I HN 0.884 nan 8.210 nan 0.000 0.444 62 A N 7.107 129.941 122.820 0.023 0.000 2.462 62 A HA 0.389 4.711 4.320 0.003 0.000 0.243 62 A C 0.857 178.454 177.584 0.021 0.000 1.076 62 A CA -0.234 51.816 52.037 0.022 0.000 0.773 62 A CB 0.371 19.380 19.000 0.015 0.000 1.010 62 A HN 0.886 nan 8.150 nan 0.000 0.493 63 M N 0.734 120.347 119.600 0.022 0.000 2.431 63 M HA 0.193 4.675 4.480 0.003 0.000 0.237 63 M C -0.075 176.233 176.300 0.014 0.000 1.130 63 M CA 0.582 55.894 55.300 0.019 0.000 1.002 63 M CB -1.266 31.346 32.600 0.020 0.000 1.524 63 M HN 0.890 nan 8.290 nan 0.000 0.482 64 D N -1.240 119.167 120.400 0.012 0.000 2.692 64 D HA 0.438 5.080 4.640 0.003 0.000 0.290 64 D C -0.332 175.973 176.300 0.007 0.000 1.281 64 D CA -0.317 53.689 54.000 0.009 0.000 0.804 64 D CB 1.023 41.828 40.800 0.008 0.000 1.331 64 D HN 0.122 nan 8.370 nan 0.000 0.432 65 G N -0.215 108.588 108.800 0.005 0.000 2.115 65 G HA2 0.214 4.176 3.960 0.003 0.000 0.244 65 G HA3 0.214 4.176 3.960 0.003 0.000 0.244 65 G C 0.965 175.867 174.900 0.004 0.000 1.105 65 G CA 0.741 45.844 45.100 0.004 0.000 0.893 65 G HN 0.529 nan 8.290 nan 0.000 0.443 66 T N -0.398 114.157 114.554 0.003 0.000 3.144 66 T HA 0.156 4.508 4.350 0.003 0.000 0.249 66 T C 0.581 175.281 174.700 -0.000 0.000 1.089 66 T CA -0.058 62.043 62.100 0.002 0.000 0.989 66 T CB -0.191 68.678 68.868 0.002 0.000 0.992 66 T HN 0.662 nan 8.240 nan 0.000 0.540 67 E N 1.343 121.543 120.200 -0.000 0.000 2.558 67 E HA 0.384 4.736 4.350 0.003 0.000 0.255 67 E C 1.435 178.034 176.600 -0.002 0.000 0.968 67 E CA 0.603 57.002 56.400 -0.001 0.000 0.939 67 E CB -0.419 29.281 29.700 -0.000 0.000 0.921 67 E HN 0.343 nan 8.360 nan 0.000 0.477 68 G N 2.525 111.323 108.800 -0.003 0.000 2.268 68 G HA2 -0.317 3.645 3.960 0.003 0.000 0.240 68 G HA3 -0.317 3.645 3.960 0.003 0.000 0.240 68 G C 0.328 175.225 174.900 -0.005 0.000 1.010 68 G CA -0.045 45.052 45.100 -0.004 0.000 0.618 68 G HN 0.427 nan 8.290 nan 0.000 0.516 69 L N 0.637 121.857 121.223 -0.006 0.000 2.503 69 L HA 0.361 4.703 4.340 0.003 0.000 0.287 69 L C 0.655 177.518 176.870 -0.011 0.000 1.252 69 L CA 0.229 55.064 54.840 -0.009 0.000 0.835 69 L CB 0.544 42.597 42.059 -0.009 0.000 1.099 69 L HN 0.060 nan 8.230 nan 0.000 0.516 70 V N 2.070 121.975 119.914 -0.015 0.000 2.638 70 V HA 0.345 4.467 4.120 0.003 0.000 0.306 70 V C 0.032 176.113 176.094 -0.023 0.000 1.052 70 V CA -0.886 61.403 62.300 -0.017 0.000 0.885 70 V CB 1.825 33.638 31.823 -0.016 0.000 0.999 70 V HN 0.641 nan 8.190 nan 0.000 0.424 71 R N 2.308 122.794 120.500 -0.022 0.000 2.538 71 R HA 0.391 4.732 4.340 0.003 0.000 0.282 71 R C 1.358 177.639 176.300 -0.032 0.000 1.009 71 R CA 1.249 57.333 56.100 -0.027 0.000 1.063 71 R CB 0.169 30.455 30.300 -0.023 0.000 0.945 71 R HN 1.215 nan 8.270 nan 0.000 0.414 72 G N 1.762 110.536 108.800 -0.044 0.000 2.254 72 G HA2 -0.331 3.630 3.960 0.003 0.000 0.225 72 G HA3 -0.331 3.630 3.960 0.003 0.000 0.225 72 G C 0.265 175.134 174.900 -0.053 0.000 1.003 72 G CA 0.129 45.200 45.100 -0.048 0.000 0.622 72 G HN 0.607 nan 8.290 nan 0.000 0.507 73 Q N 1.308 121.081 119.800 -0.046 0.000 2.394 73 Q HA 0.345 4.687 4.340 0.003 0.000 0.303 73 Q C 0.353 176.316 176.000 -0.062 0.000 1.117 73 Q CA 0.768 56.545 55.803 -0.044 0.000 0.966 73 Q CB 0.267 28.985 28.738 -0.034 0.000 1.275 73 Q HN 0.495 nan 8.270 nan 0.000 0.429 74 K N 1.486 121.853 120.400 -0.054 0.000 2.143 74 K HA 0.455 4.777 4.320 0.003 0.000 0.272 74 K C -1.326 175.236 176.600 -0.063 0.000 1.001 74 K CA -0.627 55.619 56.287 -0.068 0.000 0.915 74 K CB 1.458 33.931 32.500 -0.045 0.000 1.047 74 K HN 0.342 nan 8.250 nan 0.000 0.458 75 V N 4.142 123.998 119.914 -0.096 0.000 2.577 75 V HA 0.315 4.437 4.120 0.003 0.000 0.303 75 V C -0.668 175.423 176.094 -0.006 0.000 1.042 75 V CA -0.880 61.386 62.300 -0.057 0.000 0.872 75 V CB 1.607 33.382 31.823 -0.082 0.000 0.998 75 V HN 0.628 nan 8.190 nan 0.000 0.423 76 L N 3.472 124.732 121.223 0.063 0.000 2.276 76 L HA 0.439 4.781 4.340 0.003 0.000 0.286 76 L C -0.055 176.912 176.870 0.162 0.000 1.024 76 L CA -0.515 54.392 54.840 0.112 0.000 0.826 76 L CB 1.429 43.530 42.059 0.069 0.000 1.211 76 L HN 0.688 nan 8.230 nan 0.000 0.422 77 D N 1.966 122.513 120.400 0.245 0.000 2.389 77 D HA -0.081 4.560 4.640 0.003 0.000 0.263 77 D C 1.210 177.564 176.300 0.091 0.000 1.255 77 D CA 0.146 54.245 54.000 0.165 0.000 0.914 77 D CB 1.122 41.966 40.800 0.072 0.000 1.116 77 D HN 0.514 nan 8.370 nan 0.000 0.502 78 S N 2.744 118.491 115.700 0.077 0.000 2.660 78 S HA 0.091 4.563 4.470 0.003 0.000 0.228 78 S C 1.689 176.317 174.600 0.047 0.000 0.966 78 S CA 0.198 58.435 58.200 0.061 0.000 0.940 78 S CB -0.671 62.565 63.200 0.061 0.000 0.773 78 S HN 0.881 nan 8.310 nan 0.000 0.535 79 G N 0.207 109.026 108.800 0.033 0.000 2.296 79 G HA2 0.051 4.013 3.960 0.003 0.000 0.282 79 G HA3 0.051 4.013 3.960 0.003 0.000 0.282 79 G C 0.211 175.125 174.900 0.023 0.000 1.014 79 G CA 0.185 45.294 45.100 0.015 0.000 0.812 79 G HN 1.748 nan 8.290 nan 0.000 0.508 80 A N -1.545 121.296 122.820 0.035 0.000 2.583 80 A HA 0.818 5.140 4.320 0.003 0.000 0.292 80 A C -2.867 174.753 177.584 0.060 0.000 1.045 80 A CA -0.448 51.615 52.037 0.045 0.000 0.672 80 A CB 1.026 20.056 19.000 0.050 0.000 1.283 80 A HN 0.179 nan 8.150 nan 0.000 0.419 81 P HA 0.342 nan 4.420 nan 0.000 0.272 81 P C -0.153 177.187 177.300 0.066 0.000 1.254 81 P CA -0.128 63.041 63.100 0.114 0.000 0.795 81 P CB 0.227 32.036 31.700 0.183 0.000 1.022 82 I N 0.892 121.490 120.570 0.047 0.000 2.742 82 I HA -0.080 4.091 4.170 0.003 0.000 0.287 82 I C 1.342 177.437 176.117 -0.037 0.000 1.186 82 I CA 0.959 62.253 61.300 -0.010 0.000 1.417 82 I CB -0.209 37.769 38.000 -0.038 0.000 1.377 82 I HN 0.098 nan 8.210 nan 0.000 0.556 83 R N 7.542 128.019 120.500 -0.040 0.000 2.711 83 R HA 0.786 5.128 4.340 0.003 0.000 0.284 83 R C -0.729 175.461 176.300 -0.183 0.000 0.968 83 R CA -0.928 55.140 56.100 -0.053 0.000 0.924 83 R CB 2.293 32.616 30.300 0.037 0.000 1.162 83 R HN 0.605 nan 8.270 nan 0.000 0.465 84 I N -1.748 118.688 120.570 -0.224 0.000 2.969 84 I HA 0.564 4.736 4.170 0.003 0.000 0.307 84 I C -2.734 173.118 176.117 -0.441 0.000 1.149 84 I CA -3.329 57.754 61.300 -0.361 0.000 1.008 84 I CB 2.601 40.473 38.000 -0.214 0.000 1.232 84 I HN 0.293 nan 8.210 nan 0.000 0.435 85 P HA 0.147 nan 4.420 nan 0.000 0.267 85 P C -0.553 176.636 177.300 -0.186 0.000 1.209 85 P CA -0.015 62.888 63.100 -0.327 0.000 0.763 85 P CB 0.735 32.290 31.700 -0.241 0.000 0.816 86 V N 0.798 120.618 119.914 -0.156 0.000 2.960 86 V HA 1.022 5.144 4.120 0.003 0.000 0.315 86 V C 0.281 176.004 176.094 -0.617 0.000 1.087 86 V CA -0.244 61.857 62.300 -0.332 0.000 0.982 86 V CB 1.371 33.023 31.823 -0.286 0.000 1.039 86 V HN 0.928 nan 8.190 nan 0.000 0.437 87 G N 2.692 110.830 108.800 -1.103 0.000 2.343 87 G HA2 0.086 4.048 3.960 0.003 0.000 0.562 87 G HA3 0.086 4.048 3.960 0.003 0.000 0.562 87 G C -2.719 172.029 174.900 -0.254 0.000 1.269 87 G CA -0.033 44.332 45.100 -1.224 0.000 1.011 87 G HN 0.596 nan 8.290 nan 0.000 0.498 88 P HA 0.016 nan 4.420 nan 0.000 0.216 88 P C 1.458 178.777 177.300 0.031 0.000 1.153 88 P CA 1.790 65.001 63.100 0.185 0.000 0.848 88 P CB 0.013 31.813 31.700 0.167 0.000 0.787 89 E N -0.321 119.877 120.200 -0.002 0.000 2.520 89 E HA -0.070 4.282 4.350 0.003 0.000 0.201 89 E C 1.019 177.601 176.600 -0.031 0.000 1.122 89 E CA 1.192 57.581 56.400 -0.018 0.000 0.896 89 E CB -1.225 28.470 29.700 -0.009 0.000 0.891 89 E HN 0.380 nan 8.360 nan 0.000 0.533 90 T N -1.805 112.734 114.554 -0.025 0.000 3.023 90 T HA 0.143 4.494 4.350 0.003 0.000 0.249 90 T C 1.124 175.805 174.700 -0.032 0.000 1.050 90 T CA -0.373 61.709 62.100 -0.031 0.000 1.088 90 T CB -0.289 68.564 68.868 -0.025 0.000 0.946 90 T HN 0.046 nan 8.240 nan 0.000 0.480 91 L N 2.340 123.533 121.223 -0.050 0.000 2.578 91 L HA 0.366 4.707 4.340 0.003 0.000 0.279 91 L C 1.786 178.602 176.870 -0.090 0.000 1.227 91 L CA 1.092 55.855 54.840 -0.129 0.000 0.900 91 L CB -0.179 41.688 42.059 -0.320 0.000 1.144 91 L HN 0.628 nan 8.230 nan 0.000 0.496 92 G N 1.659 110.419 108.800 -0.067 0.000 2.212 92 G HA2 -0.231 3.731 3.960 0.003 0.000 0.266 92 G HA3 -0.231 3.731 3.960 0.003 0.000 0.266 92 G C 0.468 175.356 174.900 -0.021 0.000 0.978 92 G CA -0.248 44.833 45.100 -0.032 0.000 0.632 92 G HN 0.471 nan 8.290 nan 0.000 0.537 93 R N -0.059 120.408 120.500 -0.056 0.000 2.596 93 R HA 0.742 5.084 4.340 0.003 0.000 0.267 93 R C 0.571 176.773 176.300 -0.163 0.000 1.026 93 R CA -0.888 55.161 56.100 -0.085 0.000 1.087 93 R CB 0.549 30.805 30.300 -0.074 0.000 1.132 93 R HN 0.358 nan 8.270 nan 0.000 0.531 94 I N 1.798 122.226 120.570 -0.236 0.000 2.404 94 I HA 0.450 4.621 4.170 0.003 0.000 0.293 94 I C 0.361 176.343 176.117 -0.226 0.000 0.992 94 I CA -0.468 60.621 61.300 -0.350 0.000 1.149 94 I CB 1.549 39.220 38.000 -0.549 0.000 1.315 94 I HN 0.222 nan 8.210 nan 0.000 0.446 95 M N 5.437 124.918 119.600 -0.199 0.000 2.518 95 M HA 0.421 4.903 4.480 0.003 0.000 0.300 95 M C -1.030 175.236 176.300 -0.057 0.000 1.175 95 M CA -0.525 54.707 55.300 -0.113 0.000 0.890 95 M CB 2.310 34.847 32.600 -0.104 0.000 1.710 95 M HN 0.635 nan 8.290 nan 0.000 0.453 96 N N 1.443 120.120 118.700 -0.039 0.000 2.229 96 N HA 0.099 4.840 4.740 0.003 0.000 0.242 96 N C 0.640 176.141 175.510 -0.015 0.000 1.327 96 N CA 0.162 53.206 53.050 -0.010 0.000 0.896 96 N CB 0.788 39.259 38.487 -0.027 0.000 1.129 96 N HN 0.557 nan 8.380 nan 0.000 0.490 97 V N 0.529 120.438 119.914 -0.007 0.000 2.591 97 V HA -0.075 4.047 4.120 0.003 0.000 0.249 97 V C 1.527 177.596 176.094 -0.043 0.000 1.053 97 V CA 1.396 63.688 62.300 -0.014 0.000 1.068 97 V CB -0.702 31.122 31.823 0.000 0.000 0.689 97 V HN 0.717 nan 8.190 nan 0.000 0.462 98 I N -0.950 119.591 120.570 -0.048 0.000 3.805 98 I HA 0.689 4.861 4.170 0.003 0.000 0.337 98 I C 1.065 177.117 176.117 -0.109 0.000 1.539 98 I CA 0.050 61.308 61.300 -0.069 0.000 1.176 98 I CB -0.313 37.660 38.000 -0.044 0.000 1.248 98 I HN 0.187 nan 8.210 nan 0.000 0.437 99 G N 1.431 110.161 108.800 -0.116 0.000 2.371 99 G HA2 -0.246 3.716 3.960 0.003 0.000 0.299 99 G HA3 -0.246 3.716 3.960 0.003 0.000 0.299 99 G C -0.244 174.573 174.900 -0.140 0.000 1.014 99 G CA 0.191 45.200 45.100 -0.150 0.000 1.097 99 G HN 0.722 nan 8.290 nan 0.000 0.512 100 E N 0.212 120.355 120.200 -0.094 0.000 2.235 100 E HA 0.483 4.835 4.350 0.003 0.000 0.265 100 E C -2.639 173.919 176.600 -0.070 0.000 0.940 100 E CA -2.312 54.043 56.400 -0.076 0.000 0.819 100 E CB 2.281 31.949 29.700 -0.052 0.000 1.206 100 E HN 0.162 nan 8.360 nan 0.000 0.409 101 P HA 0.178 nan 4.420 nan 0.000 0.286 101 P C -0.022 177.244 177.300 -0.057 0.000 1.269 101 P CA -0.078 62.982 63.100 -0.066 0.000 0.787 101 P CB 0.245 31.914 31.700 -0.052 0.000 0.920 102 I N -0.546 119.977 120.570 -0.078 0.000 3.817 102 I HA 0.340 4.512 4.170 0.003 0.000 0.325 102 I C -0.222 175.838 176.117 -0.095 0.000 1.550 102 I CA -0.270 60.993 61.300 -0.061 0.000 1.100 102 I CB 0.239 38.218 38.000 -0.035 0.000 1.216 102 I HN 0.023 nan 8.210 nan 0.000 0.481 103 D N -0.063 120.270 120.400 -0.112 0.000 2.469 103 D HA 0.032 4.673 4.640 0.003 0.000 0.213 103 D C 0.455 176.744 176.300 -0.018 0.000 1.135 103 D CA -0.057 53.868 54.000 -0.125 0.000 0.834 103 D CB -0.062 40.621 40.800 -0.195 0.000 1.009 103 D HN 0.358 nan 8.370 nan 0.000 0.507 104 E N 0.156 120.346 120.200 -0.016 0.000 2.637 104 E HA -0.254 4.098 4.350 0.003 0.000 0.265 104 E C 0.070 176.678 176.600 0.014 0.000 1.073 104 E CA 0.328 56.731 56.400 0.006 0.000 0.778 104 E CB -1.626 28.089 29.700 0.024 0.000 1.362 104 E HN 0.457 nan 8.360 nan 0.000 0.413 105 R N 0.302 120.805 120.500 0.005 0.000 2.702 105 R HA 0.286 4.628 4.340 0.003 0.000 0.314 105 R C 0.926 177.227 176.300 0.002 0.000 1.152 105 R CA 0.451 56.557 56.100 0.011 0.000 1.097 105 R CB 0.692 31.000 30.300 0.014 0.000 1.343 105 R HN 0.368 nan 8.270 nan 0.000 0.575 106 G N 1.987 110.788 108.800 0.001 0.000 2.796 106 G HA2 -0.233 3.728 3.960 0.003 0.000 0.226 106 G HA3 -0.233 3.728 3.960 0.003 0.000 0.226 106 G C -2.491 172.406 174.900 -0.005 0.000 1.381 106 G CA -1.189 43.911 45.100 0.001 0.000 0.867 106 G HN 0.123 nan 8.290 nan 0.000 0.552 107 P HA 0.327 nan 4.420 nan 0.000 0.268 107 P C 0.301 177.599 177.300 -0.002 0.000 1.204 107 P CA 0.070 63.171 63.100 0.001 0.000 0.768 107 P CB 0.233 31.943 31.700 0.017 0.000 0.842 108 I N 2.784 123.345 120.570 -0.015 0.000 2.329 108 I HA 0.159 4.331 4.170 0.003 0.000 0.295 108 I C 0.819 176.947 176.117 0.019 0.000 1.109 108 I CA -0.079 61.209 61.300 -0.020 0.000 1.297 108 I CB -0.270 37.696 38.000 -0.056 0.000 1.433 108 I HN 0.091 nan 8.210 nan 0.000 0.509 109 K N 5.931 126.349 120.400 0.029 0.000 2.244 109 K HA 0.283 4.605 4.320 0.003 0.000 0.263 109 K C 0.139 176.773 176.600 0.056 0.000 1.103 109 K CA -0.318 56.004 56.287 0.058 0.000 0.966 109 K CB 0.854 33.377 32.500 0.038 0.000 1.429 109 K HN 0.675 nan 8.250 nan 0.000 0.434 110 T N -1.440 113.178 114.554 0.106 0.000 2.919 110 T HA 0.341 4.693 4.350 0.003 0.000 0.282 110 T C 0.885 175.626 174.700 0.068 0.000 1.020 110 T CA -0.923 61.217 62.100 0.068 0.000 0.994 110 T CB 1.577 70.476 68.868 0.051 0.000 1.180 110 T HN 0.281 nan 8.240 nan 0.000 0.566 111 K N -0.140 120.274 120.400 0.022 0.000 2.168 111 K HA 0.129 4.451 4.320 0.003 0.000 0.201 111 K C 0.321 176.886 176.600 -0.058 0.000 1.049 111 K CA 0.444 56.716 56.287 -0.026 0.000 0.974 111 K CB -0.021 32.477 32.500 -0.004 0.000 0.792 111 K HN 0.464 nan 8.250 nan 0.000 0.463 112 Q N 0.202 120.021 119.800 0.032 0.000 2.222 112 Q HA 0.357 4.699 4.340 0.003 0.000 0.252 112 Q C -0.933 175.280 176.000 0.354 0.000 0.926 112 Q CA -0.321 55.532 55.803 0.083 0.000 0.899 112 Q CB 0.894 29.694 28.738 0.102 0.000 1.250 112 Q HN -0.073 nan 8.270 nan 0.000 0.441 113 F N 0.472 120.401 119.950 -0.035 0.000 2.508 113 F HA 0.773 5.298 4.527 -0.004 0.000 0.325 113 F C -0.323 175.460 175.800 -0.028 0.000 1.090 113 F CA -1.809 56.168 58.000 -0.039 0.000 0.945 113 F CB 1.725 40.709 39.000 -0.025 0.000 1.156 113 F HN 0.566 nan 8.300 nan 0.000 0.463 114 A N 2.029 124.906 122.820 0.095 0.000 2.357 114 A HA 0.767 5.089 4.320 0.003 0.000 0.295 114 A C -0.566 177.025 177.584 0.011 0.000 1.121 114 A CA -0.681 51.387 52.037 0.051 0.000 0.742 114 A CB 0.706 19.722 19.000 0.027 0.000 1.181 114 A HN 0.942 nan 8.150 nan 0.000 0.454 115 A N 2.310 125.146 122.820 0.027 0.000 2.540 115 A HA 0.390 4.711 4.320 0.003 0.000 0.239 115 A C 1.268 178.834 177.584 -0.031 0.000 1.061 115 A CA 0.315 52.357 52.037 0.008 0.000 0.758 115 A CB -0.322 18.701 19.000 0.038 0.000 0.991 115 A HN 1.654 nan 8.150 nan 0.000 0.502 116 I N -0.063 120.449 120.570 -0.097 0.000 2.439 116 I HA -0.035 4.136 4.170 0.003 0.000 0.251 116 I C 0.242 176.240 176.117 -0.197 0.000 1.139 116 I CA 0.687 61.882 61.300 -0.175 0.000 1.438 116 I CB -0.422 37.417 38.000 -0.268 0.000 1.085 116 I HN 0.552 nan 8.210 nan 0.000 0.427 117 H N 3.313 122.388 119.070 0.008 0.000 3.067 117 H HA 0.641 5.194 4.556 -0.006 0.000 0.265 117 H C -0.213 175.120 175.328 0.007 0.000 1.234 117 H CA -0.027 56.027 56.048 0.009 0.000 1.452 117 H CB 0.507 30.275 29.762 0.010 0.000 1.527 117 H HN 0.441 nan 8.280 nan 0.000 0.486 118 A N 4.037 126.914 122.820 0.095 0.000 2.380 118 A HA 0.430 4.752 4.320 0.003 0.000 0.315 118 A C 0.292 177.906 177.584 0.051 0.000 1.101 118 A CA -0.923 51.149 52.037 0.058 0.000 0.771 118 A CB 1.841 20.858 19.000 0.027 0.000 1.287 118 A HN 0.562 nan 8.150 nan 0.000 0.436 119 E N 0.313 120.536 120.200 0.038 0.000 2.385 119 E HA 0.543 4.895 4.350 0.003 0.000 0.254 119 E C 0.092 176.707 176.600 0.026 0.000 1.228 119 E CA -0.310 56.109 56.400 0.032 0.000 0.956 119 E CB 0.938 30.654 29.700 0.026 0.000 1.116 119 E HN 0.730 nan 8.360 nan 0.000 0.507 120 A N 0.784 123.620 122.820 0.027 0.000 2.311 120 A HA 0.486 4.808 4.320 0.003 0.000 0.334 120 A C -2.329 175.271 177.584 0.027 0.000 1.139 120 A CA -1.750 50.301 52.037 0.023 0.000 0.830 120 A CB 0.159 19.174 19.000 0.025 0.000 1.234 120 A HN 0.277 nan 8.150 nan 0.000 0.483 121 P HA -0.017 nan 4.420 nan 0.000 0.238 121 P C -0.264 177.060 177.300 0.040 0.000 1.090 121 P CA 0.579 63.689 63.100 0.017 0.000 0.944 121 P CB -0.111 31.589 31.700 0.001 0.000 0.881 122 E N 1.776 122.005 120.200 0.049 0.000 2.598 122 E HA -0.170 4.182 4.350 0.003 0.000 0.273 122 E C 0.991 177.665 176.600 0.122 0.000 1.029 122 E CA 0.174 56.626 56.400 0.086 0.000 0.985 122 E CB 0.026 29.769 29.700 0.072 0.000 0.988 122 E HN 0.337 nan 8.360 nan 0.000 0.460 123 F N 2.456 122.404 119.950 -0.003 0.000 2.147 123 F HA -0.253 4.273 4.527 -0.001 0.000 0.301 123 F C 1.940 177.737 175.800 -0.005 0.000 1.084 123 F CA 1.914 59.912 58.000 -0.003 0.000 1.268 123 F CB -0.201 38.797 39.000 -0.003 0.000 1.009 123 F HN 0.331 nan 8.300 nan 0.000 0.486 124 V N -2.302 117.653 119.914 0.068 0.000 3.510 124 V HA -0.060 4.062 4.120 0.003 0.000 0.270 124 V C 1.172 177.226 176.094 -0.066 0.000 1.201 124 V CA 1.596 63.879 62.300 -0.029 0.000 1.166 124 V CB -0.925 30.925 31.823 0.045 0.000 0.825 124 V HN 0.486 nan 8.190 nan 0.000 0.484 125 E N -0.677 119.485 120.200 -0.063 0.000 2.447 125 E HA 0.252 4.603 4.350 0.003 0.000 0.204 125 E C 0.488 177.033 176.600 -0.091 0.000 0.977 125 E CA -0.453 55.913 56.400 -0.058 0.000 0.950 125 E CB 0.016 29.700 29.700 -0.027 0.000 0.975 125 E HN 0.413 nan 8.360 nan 0.000 0.496 126 M N 1.883 121.396 119.600 -0.145 0.000 2.246 126 M HA 0.014 4.495 4.480 0.003 0.000 0.327 126 M C 0.588 176.790 176.300 -0.163 0.000 1.090 126 M CA 0.061 55.260 55.300 -0.169 0.000 1.087 126 M CB 0.332 32.761 32.600 -0.284 0.000 1.587 126 M HN -0.069 nan 8.290 nan 0.000 0.444 127 S N 1.815 117.444 115.700 -0.118 0.000 2.586 127 S HA 0.424 4.896 4.470 0.003 0.000 0.274 127 S C 0.698 175.229 174.600 -0.115 0.000 1.281 127 S CA -0.926 57.214 58.200 -0.099 0.000 1.035 127 S CB 0.750 63.909 63.200 -0.070 0.000 0.962 127 S HN 0.480 nan 8.310 nan 0.000 0.512 128 V N 1.402 121.254 119.914 -0.103 0.000 3.647 128 V HA 0.413 4.535 4.120 0.003 0.000 0.279 128 V C 0.429 176.486 176.094 -0.062 0.000 1.314 128 V CA 0.144 62.386 62.300 -0.097 0.000 1.125 128 V CB -1.459 30.309 31.823 -0.091 0.000 0.907 128 V HN 0.806 nan 8.190 nan 0.000 0.434 129 E N 0.120 120.288 120.200 -0.053 0.000 2.367 129 E HA 0.446 4.797 4.350 0.003 0.000 0.273 129 E C -1.002 175.578 176.600 -0.033 0.000 0.903 129 E CA -0.816 55.561 56.400 -0.038 0.000 0.764 129 E CB 1.668 31.349 29.700 -0.031 0.000 1.252 129 E HN 0.144 nan 8.360 nan 0.000 0.446 130 Q N 1.965 121.749 119.800 -0.027 0.000 2.307 130 Q HA 0.247 4.589 4.340 0.003 0.000 0.259 130 Q C -0.842 175.149 176.000 -0.015 0.000 0.998 130 Q CA 0.347 56.136 55.803 -0.022 0.000 0.923 130 Q CB 1.054 29.778 28.738 -0.023 0.000 1.196 130 Q HN 0.456 nan 8.270 nan 0.000 0.416 131 E N 1.997 122.190 120.200 -0.012 0.000 2.248 131 E HA 0.387 4.738 4.350 0.003 0.000 0.267 131 E C -0.605 176.000 176.600 0.008 0.000 0.877 131 E CA -0.685 55.715 56.400 -0.000 0.000 0.759 131 E CB 2.412 32.108 29.700 -0.006 0.000 1.182 131 E HN 0.572 nan 8.360 nan 0.000 0.418 132 I N 3.496 124.084 120.570 0.029 0.000 2.575 132 I HA 0.213 4.385 4.170 0.003 0.000 0.285 132 I C -0.967 175.174 176.117 0.041 0.000 1.085 132 I CA -0.447 60.881 61.300 0.047 0.000 1.403 132 I CB 0.496 38.543 38.000 0.078 0.000 1.409 132 I HN 0.477 nan 8.210 nan 0.000 0.557 133 L N 8.361 129.608 121.223 0.039 0.000 2.264 133 L HA 0.476 4.818 4.340 0.003 0.000 0.289 133 L C -0.879 176.026 176.870 0.058 0.000 1.044 133 L CA -0.370 54.464 54.840 -0.010 0.000 0.807 133 L CB 1.342 43.361 42.059 -0.067 0.000 1.192 133 L HN 0.494 nan 8.230 nan 0.000 0.425 134 V N 4.431 124.435 119.914 0.151 0.000 2.546 134 V HA 0.283 4.405 4.120 0.003 0.000 0.284 134 V C 1.133 177.331 176.094 0.174 0.000 1.050 134 V CA 0.402 62.779 62.300 0.128 0.000 0.981 134 V CB 1.244 33.124 31.823 0.095 0.000 0.990 134 V HN 0.981 nan 8.190 nan 0.000 0.474 135 T N -0.812 113.741 114.554 -0.002 0.000 2.971 135 T HA 0.319 4.670 4.350 0.003 0.000 0.252 135 T C 1.319 175.971 174.700 -0.080 0.000 1.022 135 T CA 0.594 62.668 62.100 -0.044 0.000 0.980 135 T CB 0.661 69.414 68.868 -0.191 0.000 1.044 135 T HN 1.465 nan 8.240 nan 0.000 0.501 136 G N 1.832 110.589 108.800 -0.071 0.000 2.157 136 G HA2 -0.181 3.781 3.960 0.003 0.000 0.248 136 G HA3 -0.181 3.781 3.960 0.003 0.000 0.248 136 G C -0.020 174.846 174.900 -0.057 0.000 0.979 136 G CA -0.065 44.996 45.100 -0.064 0.000 0.650 136 G HN 0.634 nan 8.290 nan 0.000 0.529 137 I N 1.166 121.692 120.570 -0.074 0.000 2.307 137 I HA 0.203 4.375 4.170 0.003 0.000 0.289 137 I C 1.681 177.777 176.117 -0.035 0.000 1.021 137 I CA -0.741 60.546 61.300 -0.022 0.000 1.224 137 I CB 1.169 39.160 38.000 -0.015 0.000 1.376 137 I HN 0.016 nan 8.210 nan 0.000 0.470 138 K N 3.619 124.008 120.400 -0.019 0.000 2.077 138 K HA -0.219 4.103 4.320 0.003 0.000 0.213 138 K C 1.772 178.306 176.600 -0.110 0.000 1.051 138 K CA 1.791 58.044 56.287 -0.057 0.000 0.929 138 K CB -0.250 32.214 32.500 -0.060 0.000 0.715 138 K HN 0.652 nan 8.250 nan 0.000 0.451 139 V N -0.394 119.473 119.914 -0.078 0.000 2.283 139 V HA -0.188 3.934 4.120 0.003 0.000 0.243 139 V C 2.340 178.384 176.094 -0.083 0.000 1.039 139 V CA 1.429 63.667 62.300 -0.105 0.000 1.016 139 V CB -1.001 30.793 31.823 -0.048 0.000 0.650 139 V HN 0.008 nan 8.190 nan 0.000 0.449 140 V N 1.270 121.145 119.914 -0.064 0.000 2.231 140 V HA -0.297 3.825 4.120 0.003 0.000 0.248 140 V C 2.510 178.548 176.094 -0.093 0.000 1.054 140 V CA 2.660 64.901 62.300 -0.099 0.000 1.015 140 V CB -0.951 30.727 31.823 -0.242 0.000 0.638 140 V HN 0.541 nan 8.190 nan 0.000 0.444 141 D N -0.443 119.899 120.400 -0.098 0.000 2.219 141 D HA -0.095 4.547 4.640 0.003 0.000 0.205 141 D C 1.908 178.231 176.300 0.039 0.000 0.970 141 D CA 1.145 55.126 54.000 -0.032 0.000 0.851 141 D CB -0.032 40.743 40.800 -0.042 0.000 0.943 141 D HN 0.462 nan 8.370 nan 0.000 0.488 142 L N -0.615 120.584 121.223 -0.040 0.000 2.168 142 L HA 0.086 4.428 4.340 0.003 0.000 0.203 142 L C 1.763 178.654 176.870 0.035 0.000 1.078 142 L CA 1.179 55.998 54.840 -0.034 0.000 0.780 142 L CB 0.012 41.898 42.059 -0.288 0.000 0.939 142 L HN -0.099 nan 8.230 nan 0.000 0.451 143 L N -0.548 120.647 121.223 -0.048 0.000 2.537 143 L HA 0.416 4.758 4.340 0.003 0.000 0.224 143 L C 0.904 177.767 176.870 -0.011 0.000 1.065 143 L CA 0.434 55.246 54.840 -0.046 0.000 0.860 143 L CB 0.005 42.005 42.059 -0.098 0.000 1.086 143 L HN 0.230 nan 8.230 nan 0.000 0.482 144 A N 0.496 123.325 122.820 0.016 0.000 3.355 144 A HA 0.475 4.797 4.320 0.003 0.000 0.290 144 A C -2.577 175.081 177.584 0.124 0.000 0.973 144 A CA -1.048 51.022 52.037 0.056 0.000 0.933 144 A CB -0.321 18.717 19.000 0.063 0.000 1.138 144 A HN -0.152 nan 8.150 nan 0.000 0.490 145 P HA 0.020 nan 4.420 nan 0.000 0.261 145 P C -0.337 177.100 177.300 0.228 0.000 1.183 145 P CA 0.633 63.803 63.100 0.117 0.000 0.761 145 P CB 0.095 31.835 31.700 0.067 0.000 0.785 146 Y N 1.950 122.251 120.300 0.001 0.000 2.335 146 Y HA 0.349 4.901 4.550 0.004 0.000 0.348 146 Y C 1.220 177.104 175.900 -0.027 0.000 1.280 146 Y CA -0.984 57.105 58.100 -0.017 0.000 1.504 146 Y CB -0.155 38.293 38.460 -0.019 0.000 1.366 146 Y HN 0.393 nan 8.280 nan 0.000 0.621 147 A N 1.637 124.513 122.820 0.094 0.000 2.386 147 A HA 0.541 4.862 4.320 0.003 0.000 0.311 147 A C -0.598 176.984 177.584 -0.005 0.000 1.068 147 A CA -1.116 50.937 52.037 0.027 0.000 0.743 147 A CB 0.856 19.853 19.000 -0.004 0.000 1.258 147 A HN 0.663 nan 8.150 nan 0.000 0.429 148 K N 0.751 121.139 120.400 -0.021 0.000 2.451 148 K HA 0.391 4.713 4.320 0.003 0.000 0.280 148 K C 1.299 177.867 176.600 -0.053 0.000 1.020 148 K CA 1.765 58.022 56.287 -0.051 0.000 1.008 148 K CB 0.125 32.591 32.500 -0.056 0.000 0.917 148 K HN 1.720 nan 8.250 nan 0.000 0.478 149 G N 2.345 111.106 108.800 -0.065 0.000 2.212 149 G HA2 -0.269 3.693 3.960 0.003 0.000 0.266 149 G HA3 -0.269 3.693 3.960 0.003 0.000 0.266 149 G C 0.509 175.371 174.900 -0.063 0.000 0.978 149 G CA 0.105 45.168 45.100 -0.062 0.000 0.632 149 G HN 0.941 nan 8.290 nan 0.000 0.537 150 G N -0.513 108.247 108.800 -0.067 0.000 2.621 150 G HA2 0.568 4.530 3.960 0.003 0.000 0.271 150 G HA3 0.568 4.530 3.960 0.003 0.000 0.271 150 G C -0.251 174.581 174.900 -0.113 0.000 1.236 150 G CA -0.064 44.992 45.100 -0.074 0.000 0.958 150 G HN 0.473 nan 8.290 nan 0.000 0.512 151 K N -0.781 119.549 120.400 -0.117 0.000 2.345 151 K HA 0.573 4.895 4.320 0.003 0.000 0.255 151 K C -1.019 175.464 176.600 -0.195 0.000 0.934 151 K CA -0.318 55.880 56.287 -0.149 0.000 0.801 151 K CB 2.243 34.682 32.500 -0.101 0.000 1.137 151 K HN 0.233 nan 8.250 nan 0.000 0.424 152 I N 1.209 121.626 120.570 -0.256 0.000 2.433 152 I HA 0.381 4.553 4.170 0.003 0.000 0.292 152 I C 0.373 176.396 176.117 -0.157 0.000 1.001 152 I CA -0.393 60.729 61.300 -0.297 0.000 1.119 152 I CB 2.229 39.859 38.000 -0.617 0.000 1.289 152 I HN 0.680 nan 8.210 nan 0.000 0.438 153 G N 6.076 114.818 108.800 -0.096 0.000 2.393 153 G HA2 0.485 4.446 3.960 0.003 0.000 0.311 153 G HA3 0.485 4.446 3.960 0.003 0.000 0.311 153 G C -0.865 174.196 174.900 0.269 0.000 1.067 153 G CA -0.349 44.807 45.100 0.093 0.000 1.000 153 G HN 0.512 nan 8.290 nan 0.000 0.422 154 L N 4.122 125.499 121.223 0.257 0.000 2.259 154 L HA 0.661 5.003 4.340 0.003 0.000 0.288 154 L C -1.119 175.990 176.870 0.398 0.000 1.051 154 L CA -0.826 54.193 54.840 0.298 0.000 0.824 154 L CB -0.127 42.065 42.059 0.222 0.000 1.206 154 L HN 0.261 nan 8.230 nan 0.000 0.429 155 F N 3.391 123.376 119.950 0.059 0.000 2.408 155 F HA 0.870 5.398 4.527 0.003 0.000 0.325 155 F C 1.088 176.926 175.800 0.063 0.000 1.082 155 F CA -0.652 57.385 58.000 0.062 0.000 1.032 155 F CB 1.155 40.189 39.000 0.057 0.000 1.259 155 F HN 0.754 nan 8.300 nan 0.000 0.503 156 G N -0.007 108.932 108.800 0.232 0.000 2.692 156 G HA2 0.393 4.355 3.960 0.003 0.000 0.686 156 G HA3 0.393 4.355 3.960 0.003 0.000 0.686 156 G C -0.176 174.794 174.900 0.116 0.000 1.243 156 G CA -0.520 44.668 45.100 0.146 0.000 0.782 156 G HN 1.193 nan 8.290 nan 0.000 0.625 157 G N 0.192 109.047 108.800 0.090 0.000 2.844 157 G HA2 0.899 4.861 3.960 0.003 0.000 0.204 157 G HA3 0.899 4.861 3.960 0.003 0.000 0.204 157 G C 0.719 175.663 174.900 0.073 0.000 1.815 157 G CA 1.057 46.207 45.100 0.084 0.000 0.739 157 G HN 2.224 nan 8.290 nan 0.000 0.807 158 A N -1.273 121.584 122.820 0.061 0.000 2.286 158 A HA 0.581 4.903 4.320 0.003 0.000 0.286 158 A C 1.514 179.130 177.584 0.054 0.000 1.097 158 A CA 0.908 52.977 52.037 0.054 0.000 0.821 158 A CB 0.159 19.186 19.000 0.045 0.000 1.076 158 A HN 2.339 nan 8.150 nan 0.000 0.490 159 G N -0.865 107.969 108.800 0.057 0.000 2.507 159 G HA2 -0.212 3.749 3.960 0.003 0.000 0.240 159 G HA3 -0.212 3.749 3.960 0.003 0.000 0.240 159 G C 0.591 175.547 174.900 0.093 0.000 1.119 159 G CA 0.880 46.020 45.100 0.067 0.000 0.664 159 G HN 2.187 nan 8.290 nan 0.000 0.516 160 V N -0.169 119.785 119.914 0.066 0.000 2.498 160 V HA 0.725 4.847 4.120 0.003 0.000 0.279 160 V C 1.624 177.776 176.094 0.097 0.000 1.048 160 V CA 0.188 62.515 62.300 0.045 0.000 0.967 160 V CB 1.042 32.871 31.823 0.011 0.000 0.988 160 V HN 1.341 nan 8.190 nan 0.000 0.473 161 G N 2.614 111.510 108.800 0.160 0.000 3.241 161 G HA2 -0.170 3.792 3.960 0.003 0.000 0.199 161 G HA3 -0.170 3.792 3.960 0.003 0.000 0.199 161 G C 1.124 176.100 174.900 0.127 0.000 1.210 161 G CA 0.643 45.842 45.100 0.164 0.000 1.182 161 G HN 0.928 nan 8.290 nan 0.000 0.508 162 K N 0.511 120.975 120.400 0.107 0.000 2.032 162 K HA -0.261 4.061 4.320 0.003 0.000 0.218 162 K C 2.724 179.376 176.600 0.087 0.000 1.054 162 K CA 2.254 58.606 56.287 0.108 0.000 0.941 162 K CB -0.583 31.977 32.500 0.099 0.000 0.720 162 K HN 0.496 nan 8.250 nan 0.000 0.449 163 T N -1.764 112.822 114.554 0.052 0.000 2.962 163 T HA -0.039 4.313 4.350 0.003 0.000 0.270 163 T C 1.959 176.669 174.700 0.016 0.000 1.088 163 T CA 1.118 63.223 62.100 0.009 0.000 1.127 163 T CB -0.012 68.845 68.868 -0.019 0.000 0.883 163 T HN 0.048 nan 8.240 nan 0.000 0.493 164 V N 0.564 120.514 119.914 0.061 0.000 2.649 164 V HA 0.125 4.247 4.120 0.003 0.000 0.248 164 V C 2.381 178.622 176.094 0.245 0.000 1.054 164 V CA 0.974 63.341 62.300 0.111 0.000 1.073 164 V CB -0.109 31.754 31.823 0.066 0.000 0.699 164 V HN 0.431 nan 8.190 nan 0.000 0.463 165 L N -0.259 121.129 121.223 0.274 0.000 2.109 165 L HA 0.000 4.342 4.340 0.003 0.000 0.207 165 L C 2.044 179.009 176.870 0.160 0.000 1.086 165 L CA 1.838 56.880 54.840 0.337 0.000 0.760 165 L CB -0.409 41.835 42.059 0.308 0.000 0.910 165 L HN 0.211 nan 8.230 nan 0.000 0.437 166 I N -1.259 119.351 120.570 0.068 0.000 2.394 166 I HA -0.287 3.884 4.170 0.003 0.000 0.251 166 I C 2.277 178.339 176.117 -0.092 0.000 1.136 166 I CA 1.262 62.492 61.300 -0.117 0.000 1.425 166 I CB -0.134 37.662 38.000 -0.340 0.000 1.079 166 I HN 0.307 nan 8.210 nan 0.000 0.425 167 M N -0.368 119.210 119.600 -0.035 0.000 2.388 167 M HA -0.142 4.340 4.480 0.003 0.000 0.265 167 M C 2.111 178.407 176.300 -0.007 0.000 1.088 167 M CA 1.211 56.503 55.300 -0.012 0.000 1.134 167 M CB -0.118 32.478 32.600 -0.006 0.000 1.384 167 M HN 0.083 nan 8.290 nan 0.000 0.447 168 E N 1.143 121.303 120.200 -0.068 0.000 2.046 168 E HA -0.100 4.251 4.350 0.003 0.000 0.190 168 E C 1.794 178.294 176.600 -0.167 0.000 0.982 168 E CA 1.089 57.330 56.400 -0.265 0.000 0.800 168 E CB -0.207 28.939 29.700 -0.924 0.000 0.756 168 E HN 0.396 nan 8.360 nan 0.000 0.449 169 L N 0.431 121.624 121.223 -0.050 0.000 1.990 169 L HA -0.251 4.091 4.340 0.003 0.000 0.213 169 L C 2.512 179.468 176.870 0.143 0.000 1.072 169 L CA 1.492 56.385 54.840 0.089 0.000 0.755 169 L CB -0.600 41.646 42.059 0.311 0.000 0.889 169 L HN 0.259 nan 8.230 nan 0.000 0.432 170 I N -0.165 120.532 120.570 0.212 0.000 2.068 170 I HA -0.409 3.763 4.170 0.003 0.000 0.238 170 I C 2.371 178.552 176.117 0.107 0.000 1.046 170 I CA 2.099 63.524 61.300 0.207 0.000 1.306 170 I CB -0.542 37.572 38.000 0.189 0.000 1.023 170 I HN 0.386 nan 8.210 nan 0.000 0.399 171 N N 1.303 120.034 118.700 0.052 0.000 2.011 171 N HA -0.251 4.491 4.740 0.003 0.000 0.199 171 N C 1.494 177.004 175.510 0.000 0.000 1.047 171 N CA 2.237 55.298 53.050 0.018 0.000 0.863 171 N CB -0.200 38.279 38.487 -0.014 0.000 1.056 171 N HN 0.220 nan 8.380 nan 0.000 0.427 172 N N -0.473 118.207 118.700 -0.033 0.000 2.348 172 N HA -0.108 4.634 4.740 0.003 0.000 0.185 172 N C 1.466 176.981 175.510 0.008 0.000 1.019 172 N CA 0.537 53.559 53.050 -0.046 0.000 0.880 172 N CB -0.305 38.128 38.487 -0.089 0.000 0.965 172 N HN 0.161 nan 8.380 nan 0.000 0.437 173 V N 0.614 120.573 119.914 0.075 0.000 2.407 173 V HA -0.048 4.074 4.120 0.003 0.000 0.245 173 V C 2.247 178.387 176.094 0.077 0.000 1.041 173 V CA 1.445 63.840 62.300 0.158 0.000 1.040 173 V CB -0.747 31.162 31.823 0.142 0.000 0.671 173 V HN 0.291 nan 8.190 nan 0.000 0.455 174 A N -0.102 122.742 122.820 0.040 0.000 1.865 174 A HA -0.267 4.055 4.320 0.003 0.000 0.217 174 A C 2.181 179.743 177.584 -0.038 0.000 1.191 174 A CA 2.290 54.325 52.037 -0.002 0.000 0.623 174 A CB -0.522 18.503 19.000 0.042 0.000 0.826 174 A HN 0.438 nan 8.150 nan 0.000 0.444 175 K N -0.164 120.213 120.400 -0.040 0.000 1.965 175 K HA -0.005 4.317 4.320 0.003 0.000 0.218 175 K C 2.105 178.628 176.600 -0.128 0.000 1.048 175 K CA 1.844 58.089 56.287 -0.070 0.000 0.960 175 K CB -0.786 31.673 32.500 -0.069 0.000 0.732 175 K HN 0.394 nan 8.250 nan 0.000 0.444 176 A N -0.046 122.640 122.820 -0.223 0.000 2.168 176 A HA -0.081 4.241 4.320 0.003 0.000 0.215 176 A C 0.765 178.020 177.584 -0.549 0.000 1.152 176 A CA 1.237 53.020 52.037 -0.423 0.000 0.716 176 A CB -0.354 18.292 19.000 -0.590 0.000 0.794 176 A HN 0.429 nan 8.150 nan 0.000 0.465 177 H N -2.392 116.644 119.070 -0.056 0.000 3.367 177 H HA 0.221 4.780 4.556 0.004 0.000 0.257 177 H C 1.429 176.697 175.328 -0.100 0.000 1.201 177 H CA 0.237 56.247 56.048 -0.064 0.000 1.102 177 H CB 0.017 29.748 29.762 -0.053 0.000 1.656 177 H HN 0.537 nan 8.280 nan 0.000 0.662 178 G N 1.652 110.427 108.800 -0.043 0.000 2.269 178 G HA2 -0.272 3.690 3.960 0.003 0.000 0.277 178 G HA3 -0.272 3.690 3.960 0.003 0.000 0.277 178 G C 0.728 175.461 174.900 -0.277 0.000 1.008 178 G CA 0.568 45.579 45.100 -0.148 0.000 0.774 178 G HN 0.656 nan 8.290 nan 0.000 0.511 179 G N -1.331 107.370 108.800 -0.165 0.000 2.389 179 G HA2 0.612 4.574 3.960 0.003 0.000 0.317 179 G HA3 0.612 4.574 3.960 0.003 0.000 0.317 179 G C -0.423 174.345 174.900 -0.220 0.000 1.137 179 G CA -0.810 44.164 45.100 -0.209 0.000 0.870 179 G HN 0.149 nan 8.290 nan 0.000 0.496 180 Y N -0.051 120.185 120.300 -0.107 0.000 2.480 180 Y HA 0.641 5.192 4.550 0.002 0.000 0.323 180 Y C 0.895 176.751 175.900 -0.074 0.000 1.267 180 Y CA -1.066 56.930 58.100 -0.174 0.000 1.336 180 Y CB 1.931 40.081 38.460 -0.517 0.000 1.361 180 Y HN 0.474 nan 8.280 nan 0.000 0.518 181 S N -0.191 115.613 115.700 0.172 0.000 2.570 181 S HA 0.774 5.246 4.470 0.003 0.000 0.286 181 S C -1.252 173.468 174.600 0.200 0.000 1.099 181 S CA -0.916 57.392 58.200 0.181 0.000 0.913 181 S CB 1.880 65.238 63.200 0.263 0.000 1.085 181 S HN 0.300 nan 8.310 nan 0.000 0.480 182 V N 1.582 121.632 119.914 0.227 0.000 2.769 182 V HA 0.684 4.806 4.120 0.003 0.000 0.312 182 V C -1.213 175.095 176.094 0.357 0.000 1.058 182 V CA -0.803 61.639 62.300 0.236 0.000 0.952 182 V CB 1.431 33.355 31.823 0.170 0.000 1.019 182 V HN 0.847 nan 8.190 nan 0.000 0.445 183 F N 2.283 122.327 119.950 0.158 0.000 2.539 183 F HA 0.783 5.312 4.527 0.004 0.000 0.328 183 F C -0.008 175.879 175.800 0.145 0.000 1.148 183 F CA -0.618 57.498 58.000 0.194 0.000 0.940 183 F CB 1.187 40.276 39.000 0.149 0.000 1.194 183 F HN 0.650 nan 8.300 nan 0.000 0.438 184 A N 4.290 126.958 122.820 -0.254 0.000 2.258 184 A HA 0.670 4.992 4.320 0.003 0.000 0.316 184 A C -0.006 177.429 177.584 -0.250 0.000 1.279 184 A CA -0.300 51.671 52.037 -0.110 0.000 0.876 184 A CB 0.321 19.266 19.000 -0.092 0.000 1.170 184 A HN 1.061 nan 8.150 nan 0.000 0.520 185 G N 1.705 110.607 108.800 0.169 0.000 2.475 185 G HA2 0.487 4.449 3.960 0.003 0.000 0.322 185 G HA3 0.487 4.449 3.960 0.003 0.000 0.322 185 G C -0.452 174.490 174.900 0.070 0.000 1.044 185 G CA -0.211 44.986 45.100 0.162 0.000 1.047 185 G HN 0.675 nan 8.290 nan 0.000 0.436 186 V N 2.630 122.555 119.914 0.018 0.000 2.353 186 V HA 0.558 4.680 4.120 0.003 0.000 0.264 186 V C 1.215 177.330 176.094 0.034 0.000 1.049 186 V CA 0.468 62.793 62.300 0.043 0.000 0.896 186 V CB 0.481 32.345 31.823 0.068 0.000 1.025 186 V HN 1.326 nan 8.190 nan 0.000 0.475 187 G N 3.396 112.208 108.800 0.020 0.000 2.324 187 G HA2 -0.182 3.780 3.960 0.003 0.000 0.292 187 G HA3 -0.182 3.780 3.960 0.003 0.000 0.292 187 G C -0.058 174.830 174.900 -0.021 0.000 1.079 187 G CA -0.252 44.848 45.100 0.001 0.000 1.026 187 G HN 0.632 nan 8.290 nan 0.000 0.506 188 E N -0.109 120.054 120.200 -0.060 0.000 2.331 188 E HA 0.236 4.587 4.350 0.003 0.000 0.272 188 E C 0.965 177.498 176.600 -0.112 0.000 1.036 188 E CA -0.503 55.828 56.400 -0.114 0.000 0.864 188 E CB 0.619 30.134 29.700 -0.307 0.000 1.035 188 E HN 0.507 nan 8.360 nan 0.000 0.408 189 R N 1.944 122.392 120.500 -0.086 0.000 2.296 189 R HA 0.099 4.441 4.340 0.003 0.000 0.323 189 R C 1.266 177.517 176.300 -0.081 0.000 1.067 189 R CA -0.135 55.928 56.100 -0.063 0.000 0.946 189 R CB 0.149 30.428 30.300 -0.036 0.000 0.991 189 R HN 0.476 nan 8.270 nan 0.000 0.448 190 T N 2.109 116.621 114.554 -0.069 0.000 2.684 190 T HA -0.311 4.041 4.350 0.003 0.000 0.267 190 T C 1.767 176.454 174.700 -0.021 0.000 1.032 190 T CA 1.900 63.969 62.100 -0.052 0.000 1.155 190 T CB -0.200 68.659 68.868 -0.015 0.000 0.857 190 T HN 0.572 nan 8.240 nan 0.000 0.457 191 R N 0.835 121.330 120.500 -0.009 0.000 2.080 191 R HA -0.118 4.224 4.340 0.003 0.000 0.236 191 R C 2.343 178.653 176.300 0.017 0.000 1.137 191 R CA 1.785 57.892 56.100 0.012 0.000 0.943 191 R CB -0.142 30.162 30.300 0.007 0.000 0.846 191 R HN 0.523 nan 8.270 nan 0.000 0.431 192 E N -1.066 119.129 120.200 -0.009 0.000 2.268 192 E HA -0.100 4.252 4.350 0.003 0.000 0.195 192 E C 1.771 178.360 176.600 -0.019 0.000 0.995 192 E CA 0.896 57.292 56.400 -0.007 0.000 0.836 192 E CB 0.009 29.701 29.700 -0.014 0.000 0.763 192 E HN 0.588 nan 8.360 nan 0.000 0.491 193 G N 1.988 110.740 108.800 -0.080 0.000 2.404 193 G HA2 -0.315 3.647 3.960 0.003 0.000 0.213 193 G HA3 -0.315 3.647 3.960 0.003 0.000 0.213 193 G C 1.363 176.382 174.900 0.198 0.000 1.189 193 G CA 0.820 45.864 45.100 -0.092 0.000 0.796 193 G HN 0.310 nan 8.290 nan 0.000 0.532 194 N N 0.566 119.381 118.700 0.193 0.000 2.192 194 N HA -0.134 4.607 4.740 0.003 0.000 0.188 194 N C 1.495 177.217 175.510 0.354 0.000 1.013 194 N CA 1.764 55.004 53.050 0.317 0.000 0.863 194 N CB -0.205 38.427 38.487 0.242 0.000 0.990 194 N HN 0.191 nan 8.380 nan 0.000 0.430 195 D N -0.778 119.743 120.400 0.200 0.000 2.234 195 D HA -0.039 4.603 4.640 0.003 0.000 0.205 195 D C 1.631 178.012 176.300 0.135 0.000 0.962 195 D CA 0.269 54.362 54.000 0.154 0.000 0.855 195 D CB -0.022 40.826 40.800 0.080 0.000 0.951 195 D HN 0.267 nan 8.370 nan 0.000 0.500 196 L N -0.351 120.944 121.223 0.119 0.000 2.095 196 L HA -0.048 4.294 4.340 0.003 0.000 0.204 196 L C 1.894 178.817 176.870 0.087 0.000 1.080 196 L CA 1.316 56.179 54.840 0.037 0.000 0.759 196 L CB -0.738 41.284 42.059 -0.061 0.000 0.914 196 L HN 0.010 nan 8.230 nan 0.000 0.439 197 Y N 0.725 121.027 120.300 0.003 0.000 2.014 197 Y HA -0.342 4.210 4.550 0.004 0.000 0.270 197 Y C 2.716 178.538 175.900 -0.131 0.000 1.145 197 Y CA 2.397 60.444 58.100 -0.089 0.000 1.106 197 Y CB -1.076 37.332 38.460 -0.086 0.000 0.968 197 Y HN 0.434 nan 8.280 nan 0.000 0.484 198 H N -0.511 118.496 119.070 -0.105 0.000 2.457 198 H HA -0.115 4.443 4.556 0.003 0.000 0.297 198 H C 2.183 177.464 175.328 -0.078 0.000 1.092 198 H CA 1.645 57.582 56.048 -0.185 0.000 1.309 198 H CB -0.087 29.619 29.762 -0.092 0.000 1.382 198 H HN 0.528 nan 8.280 nan 0.000 0.535 199 E N -0.128 120.116 120.200 0.073 0.000 2.216 199 E HA -0.095 4.257 4.350 0.003 0.000 0.192 199 E C 1.747 178.367 176.600 0.033 0.000 0.988 199 E CA 0.444 56.886 56.400 0.069 0.000 0.834 199 E CB 0.132 29.860 29.700 0.048 0.000 0.772 199 E HN 0.458 nan 8.360 nan 0.000 0.479 200 M N -0.006 119.583 119.600 -0.018 0.000 2.193 200 M HA -0.057 4.425 4.480 0.003 0.000 0.265 200 M C 2.137 178.416 176.300 -0.035 0.000 1.071 200 M CA 0.934 56.217 55.300 -0.028 0.000 1.140 200 M CB -0.025 32.547 32.600 -0.047 0.000 1.369 200 M HN 0.154 nan 8.290 nan 0.000 0.423 201 I N 0.499 121.008 120.570 -0.102 0.000 2.091 201 I HA -0.336 3.835 4.170 0.003 0.000 0.239 201 I C 2.128 178.214 176.117 -0.051 0.000 1.061 201 I CA 1.693 62.914 61.300 -0.132 0.000 1.317 201 I CB -0.432 37.392 38.000 -0.294 0.000 1.031 201 I HN 0.335 nan 8.210 nan 0.000 0.401 202 E N 0.137 120.332 120.200 -0.009 0.000 2.209 202 E HA -0.209 4.142 4.350 0.003 0.000 0.196 202 E C 1.873 178.510 176.600 0.061 0.000 0.993 202 E CA 1.557 57.974 56.400 0.028 0.000 0.819 202 E CB -0.118 29.629 29.700 0.078 0.000 0.745 202 E HN 0.528 nan 8.360 nan 0.000 0.477 203 S N -1.416 114.336 115.700 0.086 0.000 2.577 203 S HA 0.282 4.754 4.470 0.003 0.000 0.219 203 S C 1.508 176.139 174.600 0.052 0.000 0.962 203 S CA 0.300 58.565 58.200 0.108 0.000 0.921 203 S CB 0.729 64.005 63.200 0.128 0.000 0.789 203 S HN 0.367 nan 8.310 nan 0.000 0.497 204 G N 1.588 110.400 108.800 0.020 0.000 2.458 204 G HA2 -0.446 3.516 3.960 0.003 0.000 0.237 204 G HA3 -0.446 3.516 3.960 0.003 0.000 0.237 204 G C 1.187 176.089 174.900 0.002 0.000 1.113 204 G CA 0.686 45.789 45.100 0.005 0.000 0.655 204 G HN 1.459 nan 8.290 nan 0.000 0.513 205 V N -0.880 119.041 119.914 0.012 0.000 2.481 205 V HA -0.041 4.081 4.120 0.003 0.000 0.263 205 V C 1.419 177.512 176.094 -0.002 0.000 1.108 205 V CA 2.234 64.542 62.300 0.013 0.000 1.113 205 V CB -0.631 31.204 31.823 0.020 0.000 0.684 205 V HN 0.673 nan 8.190 nan 0.000 0.467 206 I N 0.904 121.463 120.570 -0.019 0.000 2.474 206 I HA 0.499 4.670 4.170 0.003 0.000 0.294 206 I C -0.186 175.907 176.117 -0.040 0.000 1.005 206 I CA -0.215 61.067 61.300 -0.029 0.000 1.113 206 I CB 1.764 39.747 38.000 -0.029 0.000 1.289 206 I HN 0.104 nan 8.210 nan 0.000 0.436 207 N N 5.804 124.483 118.700 -0.034 0.000 2.461 207 N HA 0.343 5.085 4.740 0.003 0.000 0.284 207 N C 0.043 175.535 175.510 -0.030 0.000 1.049 207 N CA -0.334 52.697 53.050 -0.033 0.000 0.889 207 N CB 1.962 40.437 38.487 -0.021 0.000 1.365 207 N HN 0.541 nan 8.380 nan 0.000 0.499 208 L N 2.909 124.110 121.223 -0.037 0.000 2.341 208 L HA 0.112 4.454 4.340 0.003 0.000 0.214 208 L C 2.094 178.956 176.870 -0.014 0.000 1.115 208 L CA 0.890 55.716 54.840 -0.024 0.000 0.820 208 L CB 0.149 42.186 42.059 -0.036 0.000 0.944 208 L HN 0.411 nan 8.230 nan 0.000 0.452 209 K N -0.363 120.028 120.400 -0.016 0.000 2.067 209 K HA -0.056 4.266 4.320 0.003 0.000 0.203 209 K C 0.804 177.399 176.600 -0.007 0.000 1.048 209 K CA 1.114 57.395 56.287 -0.010 0.000 0.954 209 K CB 0.139 32.632 32.500 -0.011 0.000 0.737 209 K HN 0.382 nan 8.250 nan 0.000 0.444 210 D N -1.451 118.944 120.400 -0.008 0.000 2.443 210 D HA 0.230 4.872 4.640 0.003 0.000 0.249 210 D C -0.443 175.853 176.300 -0.007 0.000 1.218 210 D CA -0.608 53.389 54.000 -0.005 0.000 1.108 210 D CB 0.208 41.007 40.800 -0.002 0.000 1.197 210 D HN -0.069 nan 8.370 nan 0.000 0.600 211 A N -0.900 121.917 122.820 -0.005 0.000 2.806 211 A HA 0.434 4.755 4.320 0.003 0.000 0.266 211 A C 0.315 177.894 177.584 -0.009 0.000 0.926 211 A CA 0.090 52.120 52.037 -0.010 0.000 1.068 211 A CB -0.592 18.408 19.000 -0.001 0.000 1.189 211 A HN 0.547 nan 8.150 nan 0.000 0.481 212 T N -2.250 112.299 114.554 -0.009 0.000 3.174 212 T HA 0.232 4.584 4.350 0.003 0.000 0.269 212 T C 0.411 175.106 174.700 -0.008 0.000 1.017 212 T CA 0.281 62.384 62.100 0.005 0.000 0.899 212 T CB -0.455 68.421 68.868 0.013 0.000 1.077 212 T HN 0.242 nan 8.240 nan 0.000 0.552 213 S N 2.200 117.875 115.700 -0.042 0.000 2.533 213 S HA 0.236 4.708 4.470 0.003 0.000 0.282 213 S C 0.593 175.143 174.600 -0.084 0.000 1.304 213 S CA -0.685 57.482 58.200 -0.054 0.000 1.063 213 S CB 0.877 64.037 63.200 -0.066 0.000 0.881 213 S HN 0.528 nan 8.310 nan 0.000 0.493 214 K N 0.863 121.248 120.400 -0.024 0.000 2.399 214 K HA 0.288 4.610 4.320 0.003 0.000 0.204 214 K C -0.670 175.937 176.600 0.011 0.000 1.023 214 K CA -0.053 56.249 56.287 0.025 0.000 1.127 214 K CB 0.218 32.789 32.500 0.120 0.000 0.856 214 K HN 0.445 nan 8.250 nan 0.000 0.514 215 V N -0.112 119.785 119.914 -0.028 0.000 2.888 215 V HA 0.665 4.787 4.120 0.003 0.000 0.309 215 V C -1.006 175.081 176.094 -0.011 0.000 1.114 215 V CA -1.466 60.848 62.300 0.023 0.000 0.940 215 V CB 1.770 33.635 31.823 0.070 0.000 1.021 215 V HN 0.080 nan 8.190 nan 0.000 0.426 216 A N 4.168 127.006 122.820 0.031 0.000 2.318 216 A HA 0.909 5.231 4.320 0.003 0.000 0.324 216 A C -0.833 176.766 177.584 0.025 0.000 1.170 216 A CA -0.589 51.455 52.037 0.011 0.000 0.810 216 A CB 0.940 19.969 19.000 0.047 0.000 1.198 216 A HN 0.845 nan 8.150 nan 0.000 0.484 217 L N 2.883 124.059 121.223 -0.078 0.000 2.307 217 L HA 0.551 4.893 4.340 0.003 0.000 0.284 217 L C -0.826 175.924 176.870 -0.200 0.000 1.023 217 L CA -0.885 53.869 54.840 -0.144 0.000 0.810 217 L CB 1.650 43.462 42.059 -0.412 0.000 1.231 217 L HN 0.409 nan 8.230 nan 0.000 0.423 218 V N 3.148 123.041 119.914 -0.035 0.000 2.448 218 V HA 0.435 4.556 4.120 0.003 0.000 0.295 218 V C -0.876 175.341 176.094 0.204 0.000 1.025 218 V CA -0.619 61.684 62.300 0.005 0.000 0.859 218 V CB 1.698 33.539 31.823 0.031 0.000 0.988 218 V HN 0.374 nan 8.190 nan 0.000 0.431 219 Y N 1.974 122.298 120.300 0.040 0.000 2.393 219 Y HA 0.733 5.284 4.550 0.002 0.000 0.341 219 Y C 0.656 176.572 175.900 0.026 0.000 0.988 219 Y CA -1.702 56.428 58.100 0.050 0.000 1.078 219 Y CB 2.446 40.923 38.460 0.028 0.000 1.203 219 Y HN 0.653 nan 8.280 nan 0.000 0.453 220 G N 3.570 112.468 108.800 0.164 0.000 3.678 220 G HA2 0.374 4.336 3.960 0.003 0.000 0.344 220 G HA3 0.374 4.336 3.960 0.003 0.000 0.344 220 G C -0.591 174.321 174.900 0.021 0.000 1.450 220 G CA -0.548 44.597 45.100 0.076 0.000 1.078 220 G HN 0.564 nan 8.290 nan 0.000 0.474 221 Q N 0.760 120.563 119.800 0.004 0.000 2.474 221 Q HA 0.175 4.517 4.340 0.003 0.000 0.256 221 Q C 1.706 177.694 176.000 -0.019 0.000 1.048 221 Q CA 0.127 55.909 55.803 -0.036 0.000 0.922 221 Q CB 1.141 29.862 28.738 -0.027 0.000 1.288 221 Q HN 0.537 nan 8.270 nan 0.000 0.484 222 M N 1.216 120.798 119.600 -0.029 0.000 2.446 222 M HA -0.170 4.311 4.480 0.003 0.000 0.263 222 M C 0.834 177.127 176.300 -0.012 0.000 1.066 222 M CA 1.275 56.564 55.300 -0.019 0.000 1.087 222 M CB -0.204 32.383 32.600 -0.022 0.000 1.406 222 M HN 0.607 nan 8.290 nan 0.000 0.459 223 N N -0.270 118.425 118.700 -0.009 0.000 2.446 223 N HA -0.018 4.724 4.740 0.003 0.000 0.179 223 N C 0.035 175.544 175.510 -0.001 0.000 1.054 223 N CA 0.106 53.153 53.050 -0.005 0.000 0.905 223 N CB -0.022 38.464 38.487 -0.002 0.000 0.973 223 N HN 0.455 nan 8.380 nan 0.000 0.448 224 E N 1.981 122.181 120.200 0.001 0.000 2.418 224 E HA 0.097 4.449 4.350 0.003 0.000 0.261 224 E C -2.228 174.373 176.600 0.002 0.000 1.070 224 E CA -1.620 54.783 56.400 0.005 0.000 0.931 224 E CB 0.411 30.119 29.700 0.012 0.000 0.954 224 E HN 0.101 nan 8.360 nan 0.000 0.439 225 P HA -0.002 nan 4.420 nan 0.000 0.272 225 P C -2.160 175.139 177.300 -0.002 0.000 1.230 225 P CA -1.182 61.918 63.100 0.000 0.000 0.788 225 P CB -0.031 31.671 31.700 0.003 0.000 0.949 226 P HA -0.274 nan 4.420 nan 0.000 0.218 226 P C 1.644 178.938 177.300 -0.011 0.000 1.165 226 P CA 2.449 65.538 63.100 -0.018 0.000 0.922 226 P CB -0.871 30.814 31.700 -0.025 0.000 0.794 227 G N -0.265 108.535 108.800 -0.000 0.000 2.469 227 G HA2 -0.281 3.681 3.960 0.003 0.000 0.220 227 G HA3 -0.281 3.681 3.960 0.003 0.000 0.220 227 G C 1.731 176.646 174.900 0.025 0.000 1.136 227 G CA 1.395 46.504 45.100 0.014 0.000 0.759 227 G HN 0.445 nan 8.290 nan 0.000 0.562 228 A N 0.855 123.688 122.820 0.021 0.000 1.872 228 A HA 0.067 4.389 4.320 0.003 0.000 0.214 228 A C 2.405 180.009 177.584 0.033 0.000 1.187 228 A CA 1.328 53.381 52.037 0.025 0.000 0.614 228 A CB -0.286 18.726 19.000 0.020 0.000 0.826 228 A HN 0.363 nan 8.150 nan 0.000 0.442 229 R N -0.160 120.355 120.500 0.026 0.000 2.280 229 R HA 0.108 4.450 4.340 0.003 0.000 0.207 229 R C 2.064 178.399 176.300 0.057 0.000 1.043 229 R CA 0.703 56.825 56.100 0.036 0.000 1.006 229 R CB -0.300 30.010 30.300 0.016 0.000 0.885 229 R HN 0.503 nan 8.270 nan 0.000 0.467 230 A N 1.251 124.094 122.820 0.039 0.000 1.874 230 A HA -0.034 4.288 4.320 0.003 0.000 0.214 230 A C 1.946 179.614 177.584 0.139 0.000 1.189 230 A CA 0.683 52.743 52.037 0.038 0.000 0.615 230 A CB 0.064 19.061 19.000 -0.005 0.000 0.830 230 A HN 0.037 nan 8.150 nan 0.000 0.443 231 R N -0.007 120.553 120.500 0.099 0.000 2.112 231 R HA -0.017 4.324 4.340 0.003 0.000 0.216 231 R C 2.127 178.456 176.300 0.048 0.000 1.080 231 R CA 1.355 57.503 56.100 0.080 0.000 0.996 231 R CB -1.628 28.689 30.300 0.029 0.000 0.902 231 R HN 0.589 nan 8.270 nan 0.000 0.449 232 V N -0.414 119.528 119.914 0.047 0.000 2.511 232 V HA -0.204 3.918 4.120 0.003 0.000 0.257 232 V C 2.153 178.254 176.094 0.011 0.000 1.088 232 V CA 2.002 64.320 62.300 0.030 0.000 1.098 232 V CB -1.148 30.707 31.823 0.053 0.000 0.674 232 V HN 0.181 nan 8.190 nan 0.000 0.470 233 A N 0.146 122.978 122.820 0.019 0.000 2.067 233 A HA 0.202 4.524 4.320 0.003 0.000 0.217 233 A C 2.163 179.684 177.584 -0.104 0.000 1.156 233 A CA 1.431 53.417 52.037 -0.085 0.000 0.683 233 A CB -0.402 18.461 19.000 -0.229 0.000 0.808 233 A HN 0.589 nan 8.150 nan 0.000 0.455 234 L N -1.195 119.993 121.223 -0.059 0.000 2.044 234 L HA -0.122 4.220 4.340 0.003 0.000 0.205 234 L C 2.746 179.564 176.870 -0.086 0.000 1.075 234 L CA 1.670 56.463 54.840 -0.079 0.000 0.747 234 L CB -1.193 40.813 42.059 -0.089 0.000 0.903 234 L HN 0.272 nan 8.230 nan 0.000 0.435 235 T N 0.149 114.655 114.554 -0.080 0.000 2.653 235 T HA -0.208 4.144 4.350 0.003 0.000 0.268 235 T C 1.800 176.470 174.700 -0.051 0.000 1.035 235 T CA 1.753 63.809 62.100 -0.073 0.000 1.154 235 T CB -0.617 68.217 68.868 -0.057 0.000 0.862 235 T HN 0.597 nan 8.240 nan 0.000 0.441 236 G N 1.012 109.789 108.800 -0.038 0.000 2.440 236 G HA2 -0.163 3.799 3.960 0.003 0.000 0.218 236 G HA3 -0.163 3.799 3.960 0.003 0.000 0.218 236 G C 1.504 176.392 174.900 -0.019 0.000 1.154 236 G CA 0.717 45.807 45.100 -0.017 0.000 0.767 236 G HN 0.385 nan 8.290 nan 0.000 0.552 237 L N 1.000 122.193 121.223 -0.051 0.000 2.012 237 L HA -0.037 4.305 4.340 0.003 0.000 0.210 237 L C 3.012 179.867 176.870 -0.024 0.000 1.073 237 L CA 2.427 57.238 54.840 -0.049 0.000 0.748 237 L CB -1.136 40.877 42.059 -0.077 0.000 0.891 237 L HN 0.197 nan 8.230 nan 0.000 0.431 238 T N -1.125 113.408 114.554 -0.035 0.000 2.635 238 T HA -0.222 4.130 4.350 0.003 0.000 0.267 238 T C 1.971 176.664 174.700 -0.012 0.000 1.040 238 T CA 1.871 63.953 62.100 -0.029 0.000 1.156 238 T CB -0.423 68.415 68.868 -0.051 0.000 0.863 238 T HN 0.182 nan 8.240 nan 0.000 0.430 239 V N 1.597 121.502 119.914 -0.015 0.000 2.231 239 V HA -0.250 3.872 4.120 0.003 0.000 0.248 239 V C 2.859 178.997 176.094 0.072 0.000 1.054 239 V CA 2.022 64.318 62.300 -0.006 0.000 1.015 239 V CB -1.305 30.537 31.823 0.032 0.000 0.638 239 V HN 0.576 nan 8.190 nan 0.000 0.444 240 A N -0.749 122.148 122.820 0.129 0.000 1.917 240 A HA -0.318 4.004 4.320 0.003 0.000 0.219 240 A C 2.128 179.796 177.584 0.140 0.000 1.182 240 A CA 2.251 54.405 52.037 0.196 0.000 0.633 240 A CB -0.671 18.397 19.000 0.114 0.000 0.819 240 A HN 0.662 nan 8.150 nan 0.000 0.448 241 E N -1.870 118.367 120.200 0.061 0.000 2.160 241 E HA -0.239 4.112 4.350 0.003 0.000 0.195 241 E C 1.743 178.354 176.600 0.017 0.000 0.991 241 E CA 1.474 57.891 56.400 0.029 0.000 0.810 241 E CB -0.308 29.397 29.700 0.008 0.000 0.742 241 E HN 0.837 nan 8.360 nan 0.000 0.466 242 Y N 0.365 120.576 120.300 -0.150 0.000 2.114 242 Y HA -0.234 4.316 4.550 -0.001 0.000 0.284 242 Y C 1.503 177.257 175.900 -0.243 0.000 1.143 242 Y CA 1.503 59.443 58.100 -0.267 0.000 1.135 242 Y CB -0.381 37.791 38.460 -0.480 0.000 0.980 242 Y HN -0.055 nan 8.280 nan 0.000 0.499 243 F N 0.667 120.784 119.950 0.277 0.000 2.724 243 F HA -0.027 4.505 4.527 0.008 0.000 0.297 243 F C 2.392 178.191 175.800 -0.001 0.000 1.200 243 F CA 1.263 59.362 58.000 0.165 0.000 1.468 243 F CB -0.444 38.743 39.000 0.310 0.000 1.116 243 F HN 0.142 nan 8.300 nan 0.000 0.599 244 R N -0.357 120.166 120.500 0.039 0.000 2.302 244 R HA 0.038 4.380 4.340 0.003 0.000 0.187 244 R C 1.083 177.340 176.300 -0.072 0.000 0.904 244 R CA 0.427 56.527 56.100 -0.001 0.000 1.105 244 R CB 0.145 30.454 30.300 0.015 0.000 1.239 244 R HN 0.015 nan 8.270 nan 0.000 0.620 245 D N 0.384 120.717 120.400 -0.112 0.000 2.348 245 D HA -0.015 4.627 4.640 0.003 0.000 0.211 245 D C 1.271 177.458 176.300 -0.188 0.000 0.998 245 D CA 0.642 54.571 54.000 -0.119 0.000 0.873 245 D CB 0.603 41.354 40.800 -0.082 0.000 0.925 245 D HN 0.141 nan 8.370 nan 0.000 0.524 246 Q N -0.240 119.349 119.800 -0.351 0.000 2.322 246 Q HA 0.159 4.501 4.340 0.003 0.000 0.250 246 Q C 0.737 176.523 176.000 -0.356 0.000 0.853 246 Q CA 0.447 55.972 55.803 -0.463 0.000 0.951 246 Q CB 1.152 29.267 28.738 -1.039 0.000 1.114 246 Q HN 0.366 nan 8.270 nan 0.000 0.523 247 E N -0.718 119.316 120.200 -0.277 0.000 2.743 247 E HA 0.201 4.553 4.350 0.003 0.000 0.222 247 E C 0.111 176.695 176.600 -0.028 0.000 0.959 247 E CA 0.107 56.454 56.400 -0.089 0.000 1.198 247 E CB 1.156 30.886 29.700 0.051 0.000 1.100 247 E HN 0.268 nan 8.360 nan 0.000 0.518 248 G N 2.993 111.762 108.800 -0.051 0.000 2.441 248 G HA2 -0.336 3.626 3.960 0.003 0.000 0.298 248 G HA3 -0.336 3.626 3.960 0.003 0.000 0.298 248 G C 0.173 175.067 174.900 -0.010 0.000 0.949 248 G CA 1.011 46.093 45.100 -0.030 0.000 1.072 248 G HN 0.241 nan 8.290 nan 0.000 0.512 249 Q N -0.836 118.975 119.800 0.018 0.000 2.173 249 Q HA 0.481 4.823 4.340 0.003 0.000 0.186 249 Q C -0.674 175.323 176.000 -0.005 0.000 1.018 249 Q CA -0.730 55.073 55.803 0.001 0.000 1.064 249 Q CB 0.700 29.441 28.738 0.005 0.000 1.130 249 Q HN 0.208 nan 8.270 nan 0.000 0.553 250 D N 0.900 121.283 120.400 -0.028 0.000 2.477 250 D HA 0.275 4.917 4.640 0.003 0.000 0.239 250 D C -0.987 175.293 176.300 -0.033 0.000 1.102 250 D CA -0.136 53.830 54.000 -0.057 0.000 0.901 250 D CB 1.006 41.728 40.800 -0.130 0.000 1.026 250 D HN 0.112 nan 8.370 nan 0.000 0.515 251 V N 1.509 121.432 119.914 0.014 0.000 3.083 251 V HA 0.369 4.491 4.120 0.003 0.000 0.306 251 V C 0.577 176.660 176.094 -0.018 0.000 1.077 251 V CA -0.757 61.575 62.300 0.054 0.000 1.073 251 V CB 1.435 33.344 31.823 0.143 0.000 1.081 251 V HN 0.350 nan 8.190 nan 0.000 0.474 252 L N 2.785 123.991 121.223 -0.028 0.000 2.333 252 L HA 0.561 4.903 4.340 0.003 0.000 0.280 252 L C -1.022 175.729 176.870 -0.198 0.000 1.004 252 L CA -0.583 54.158 54.840 -0.164 0.000 0.820 252 L CB 1.695 43.636 42.059 -0.197 0.000 1.247 252 L HN 0.509 nan 8.230 nan 0.000 0.416 253 L N 3.908 124.954 121.223 -0.294 0.000 2.333 253 L HA 0.580 4.922 4.340 0.003 0.000 0.280 253 L C -1.438 175.223 176.870 -0.349 0.000 1.004 253 L CA 0.161 54.873 54.840 -0.212 0.000 0.820 253 L CB 1.359 43.337 42.059 -0.136 0.000 1.247 253 L HN 0.239 nan 8.230 nan 0.000 0.416 254 F N 6.023 125.924 119.950 -0.081 0.000 2.427 254 F HA 0.546 5.075 4.527 0.003 0.000 0.348 254 F C -0.292 175.289 175.800 -0.364 0.000 1.125 254 F CA -0.404 57.498 58.000 -0.164 0.000 0.989 254 F CB 1.351 40.304 39.000 -0.078 0.000 1.165 254 F HN 0.225 nan 8.300 nan 0.000 0.442 255 I N 3.371 123.877 120.570 -0.107 0.000 2.354 255 I HA 0.285 4.457 4.170 0.003 0.000 0.286 255 I C -0.827 175.207 176.117 -0.137 0.000 1.007 255 I CA -0.278 60.908 61.300 -0.189 0.000 1.167 255 I CB 1.180 39.069 38.000 -0.185 0.000 1.320 255 I HN 0.354 nan 8.210 nan 0.000 0.458 256 D N 5.712 125.985 120.400 -0.210 0.000 2.462 256 D HA 0.284 4.925 4.640 0.003 0.000 0.245 256 D C -0.948 175.353 176.300 0.002 0.000 1.122 256 D CA -0.438 53.528 54.000 -0.057 0.000 0.864 256 D CB 1.059 41.861 40.800 0.003 0.000 1.098 256 D HN 0.598 nan 8.370 nan 0.000 0.541 257 N N 2.171 120.904 118.700 0.055 0.000 2.272 257 N HA 0.213 4.955 4.740 0.003 0.000 0.305 257 N C 0.586 176.168 175.510 0.120 0.000 1.103 257 N CA -0.732 52.372 53.050 0.089 0.000 0.791 257 N CB 1.321 39.886 38.487 0.131 0.000 1.356 257 N HN 0.145 nan 8.380 nan 0.000 0.486 258 I N 0.976 121.612 120.570 0.109 0.000 2.502 258 I HA -0.092 4.080 4.170 0.003 0.000 0.258 258 I C 1.200 177.461 176.117 0.241 0.000 1.172 258 I CA 1.147 62.523 61.300 0.128 0.000 1.430 258 I CB -0.496 37.544 38.000 0.067 0.000 1.086 258 I HN 0.743 nan 8.210 nan 0.000 0.440 259 F N 1.135 121.173 119.950 0.146 0.000 2.206 259 F HA -0.071 4.459 4.527 0.005 0.000 0.298 259 F C 2.412 178.303 175.800 0.152 0.000 1.090 259 F CA 1.329 59.436 58.000 0.178 0.000 1.323 259 F CB -0.328 38.831 39.000 0.264 0.000 1.028 259 F HN -0.091 nan 8.300 nan 0.000 0.492 260 R N -0.872 119.680 120.500 0.086 0.000 2.285 260 R HA -0.129 4.213 4.340 0.003 0.000 0.213 260 R C 1.977 178.261 176.300 -0.028 0.000 1.068 260 R CA 1.010 57.091 56.100 -0.032 0.000 1.004 260 R CB -0.628 29.706 30.300 0.057 0.000 0.873 260 R HN 0.388 nan 8.270 nan 0.000 0.467 261 F N 1.191 121.074 119.950 -0.111 0.000 2.098 261 F HA -0.116 4.411 4.527 -0.001 0.000 0.294 261 F C 2.028 177.758 175.800 -0.116 0.000 1.107 261 F CA 1.519 59.465 58.000 -0.089 0.000 1.234 261 F CB -0.615 38.346 39.000 -0.065 0.000 1.002 261 F HN -0.212 nan 8.300 nan 0.000 0.472 262 T N 0.603 114.950 114.554 -0.345 0.000 2.684 262 T HA -0.204 4.147 4.350 0.003 0.000 0.267 262 T C 1.876 176.375 174.700 -0.335 0.000 1.036 262 T CA 1.653 63.515 62.100 -0.398 0.000 1.148 262 T CB -0.268 68.438 68.868 -0.269 0.000 0.863 262 T HN 0.206 nan 8.240 nan 0.000 0.436 263 Q N 0.728 120.276 119.800 -0.419 0.000 2.084 263 Q HA 0.047 4.389 4.340 0.003 0.000 0.202 263 Q C 2.645 178.526 176.000 -0.198 0.000 0.978 263 Q CA 1.684 57.303 55.803 -0.306 0.000 0.844 263 Q CB -0.952 27.565 28.738 -0.368 0.000 0.898 263 Q HN 0.573 nan 8.270 nan 0.000 0.426 264 A N 0.261 122.960 122.820 -0.202 0.000 1.940 264 A HA -0.107 4.215 4.320 0.003 0.000 0.219 264 A C 2.287 179.770 177.584 -0.169 0.000 1.176 264 A CA 1.825 53.775 52.037 -0.145 0.000 0.631 264 A CB -1.044 17.893 19.000 -0.105 0.000 0.814 264 A HN 0.458 nan 8.150 nan 0.000 0.446 265 G N -0.647 107.991 108.800 -0.271 0.000 2.459 265 G HA2 -0.187 3.775 3.960 0.003 0.000 0.217 265 G HA3 -0.187 3.775 3.960 0.003 0.000 0.217 265 G C 1.851 176.672 174.900 -0.132 0.000 1.183 265 G CA 1.316 46.266 45.100 -0.250 0.000 0.776 265 G HN 0.487 nan 8.290 nan 0.000 0.552 266 S N 0.766 116.407 115.700 -0.098 0.000 2.359 266 S HA -0.121 4.351 4.470 0.003 0.000 0.224 266 S C 2.194 176.758 174.600 -0.059 0.000 1.035 266 S CA 1.640 59.809 58.200 -0.051 0.000 1.018 266 S CB -0.303 62.872 63.200 -0.043 0.000 0.876 266 S HN 0.631 nan 8.310 nan 0.000 0.448 267 E N 0.622 120.780 120.200 -0.070 0.000 2.058 267 E HA -0.135 4.216 4.350 0.003 0.000 0.194 267 E C 2.154 178.728 176.600 -0.043 0.000 0.997 267 E CA 1.409 57.777 56.400 -0.053 0.000 0.801 267 E CB -0.402 29.267 29.700 -0.052 0.000 0.746 267 E HN 0.277 nan 8.360 nan 0.000 0.450 268 V N 1.165 121.049 119.914 -0.050 0.000 2.287 268 V HA -0.292 3.830 4.120 0.003 0.000 0.248 268 V C 2.505 178.580 176.094 -0.031 0.000 1.053 268 V CA 1.978 64.256 62.300 -0.037 0.000 1.027 268 V CB -0.581 31.218 31.823 -0.041 0.000 0.646 268 V HN 0.276 nan 8.190 nan 0.000 0.447 269 S N -0.228 115.449 115.700 -0.038 0.000 2.353 269 S HA -0.246 4.226 4.470 0.003 0.000 0.222 269 S C 2.185 176.772 174.600 -0.021 0.000 1.035 269 S CA 1.838 60.022 58.200 -0.027 0.000 1.025 269 S CB -0.465 62.720 63.200 -0.026 0.000 0.902 269 S HN 0.639 nan 8.310 nan 0.000 0.440 270 A N 1.636 124.442 122.820 -0.024 0.000 1.917 270 A HA -0.049 4.273 4.320 0.003 0.000 0.219 270 A C 2.207 179.781 177.584 -0.016 0.000 1.182 270 A CA 1.713 53.737 52.037 -0.021 0.000 0.633 270 A CB -0.901 18.083 19.000 -0.027 0.000 0.819 270 A HN 0.613 nan 8.150 nan 0.000 0.448 271 L N -0.996 120.217 121.223 -0.017 0.000 2.131 271 L HA -0.101 4.240 4.340 0.003 0.000 0.210 271 L C 1.677 178.543 176.870 -0.007 0.000 1.092 271 L CA 0.769 55.602 54.840 -0.011 0.000 0.759 271 L CB -0.564 41.489 42.059 -0.011 0.000 0.903 271 L HN 0.336 nan 8.230 nan 0.000 0.435 272 L N 0.360 121.579 121.223 -0.007 0.000 2.660 272 L HA 0.159 4.501 4.340 0.003 0.000 0.238 272 L C 1.332 178.201 176.870 -0.003 0.000 1.161 272 L CA 0.134 54.972 54.840 -0.003 0.000 0.937 272 L CB -0.704 41.353 42.059 -0.003 0.000 1.122 272 L HN 0.422 nan 8.230 nan 0.000 0.435 273 G N 1.063 109.860 108.800 -0.005 0.000 2.258 273 G HA2 -0.323 3.639 3.960 0.003 0.000 0.274 273 G HA3 -0.323 3.639 3.960 0.003 0.000 0.274 273 G C 0.289 175.186 174.900 -0.004 0.000 1.021 273 G CA 0.150 45.248 45.100 -0.004 0.000 0.798 273 G HN 0.501 nan 8.290 nan 0.000 0.507 274 R N -0.664 119.833 120.500 -0.005 0.000 2.349 274 R HA 0.559 4.900 4.340 0.003 0.000 0.299 274 R C 0.863 177.162 176.300 -0.003 0.000 1.027 274 R CA -1.002 55.096 56.100 -0.004 0.000 0.958 274 R CB 1.260 31.558 30.300 -0.004 0.000 1.047 274 R HN 0.267 nan 8.270 nan 0.000 0.468 275 I N 4.627 125.196 120.570 -0.001 0.000 2.742 275 I HA -0.040 4.132 4.170 0.003 0.000 0.287 275 I C -1.711 174.408 176.117 0.004 0.000 1.186 275 I CA -1.182 60.119 61.300 0.001 0.000 1.417 275 I CB 0.028 38.029 38.000 0.002 0.000 1.377 275 I HN 0.274 nan 8.210 nan 0.000 0.556 276 P HA 0.102 nan 4.420 nan 0.000 0.272 276 P C -0.373 176.941 177.300 0.024 0.000 1.240 276 P CA -0.344 62.762 63.100 0.009 0.000 0.791 276 P CB 0.699 32.393 31.700 -0.010 0.000 0.978 277 S N -0.257 115.473 115.700 0.050 0.000 2.694 277 S HA 0.715 5.187 4.470 0.003 0.000 0.286 277 S C -0.045 174.597 174.600 0.070 0.000 1.080 277 S CA -0.668 57.564 58.200 0.054 0.000 0.953 277 S CB -0.243 62.990 63.200 0.054 0.000 1.313 277 S HN 0.539 nan 8.310 nan 0.000 0.555 278 A N 0.377 123.245 122.820 0.079 0.000 2.598 278 A HA 0.406 4.728 4.320 0.003 0.000 0.239 278 A C 1.111 178.777 177.584 0.137 0.000 1.032 278 A CA 0.268 52.358 52.037 0.087 0.000 0.760 278 A CB -1.308 17.742 19.000 0.083 0.000 0.946 278 A HN 1.835 nan 8.150 nan 0.000 0.512 279 V N 1.351 121.314 119.914 0.083 0.000 2.666 279 V HA -0.324 3.798 4.120 0.003 0.000 0.147 279 V C 1.939 177.971 176.094 -0.105 0.000 0.450 279 V CA 1.808 64.134 62.300 0.043 0.000 1.232 279 V CB -2.391 29.531 31.823 0.165 0.000 1.437 279 V HN 2.978 nan 8.190 nan 0.000 1.056 280 G N -2.747 106.015 108.800 -0.064 0.000 2.199 280 G HA2 -0.343 3.619 3.960 0.003 0.000 0.254 280 G HA3 -0.343 3.619 3.960 0.003 0.000 0.254 280 G C -0.044 174.756 174.900 -0.167 0.000 0.982 280 G CA 0.398 45.418 45.100 -0.134 0.000 0.632 280 G HN 0.842 nan 8.290 nan 0.000 0.529 281 Y N 1.741 122.045 120.300 0.006 0.000 2.220 281 Y HA 0.410 4.962 4.550 0.003 0.000 0.347 281 Y C 1.497 177.383 175.900 -0.023 0.000 1.311 281 Y CA 0.220 58.313 58.100 -0.013 0.000 1.593 281 Y CB 0.242 38.700 38.460 -0.003 0.000 1.419 281 Y HN 0.412 nan 8.280 nan 0.000 0.614 282 Q N 1.252 121.152 119.800 0.166 0.000 2.373 282 Q HA 0.143 4.484 4.340 0.003 0.000 0.255 282 Q C -2.395 173.639 176.000 0.057 0.000 0.980 282 Q CA -1.768 54.073 55.803 0.063 0.000 0.882 282 Q CB 0.827 29.574 28.738 0.015 0.000 1.249 282 Q HN 0.325 nan 8.270 nan 0.000 0.438 283 P HA -0.116 nan 4.420 nan 0.000 0.216 283 P C 0.893 178.203 177.300 0.017 0.000 1.150 283 P CA 1.767 64.882 63.100 0.025 0.000 0.837 283 P CB -0.066 31.642 31.700 0.013 0.000 0.786 284 T N -3.575 110.983 114.554 0.007 0.000 3.312 284 T HA 0.160 4.512 4.350 0.003 0.000 0.251 284 T C 1.325 176.022 174.700 -0.005 0.000 1.012 284 T CA -0.331 61.769 62.100 0.000 0.000 0.925 284 T CB -0.992 67.870 68.868 -0.010 0.000 1.049 284 T HN -0.130 nan 8.240 nan 0.000 0.583 285 L N 1.701 122.923 121.223 -0.002 0.000 2.021 285 L HA -0.019 4.323 4.340 0.003 0.000 0.215 285 L C 2.648 179.516 176.870 -0.003 0.000 1.074 285 L CA 2.345 57.170 54.840 -0.026 0.000 0.760 285 L CB -0.998 41.034 42.059 -0.045 0.000 0.889 285 L HN 0.378 nan 8.230 nan 0.000 0.433 286 A N -1.605 121.227 122.820 0.020 0.000 2.014 286 A HA -0.138 4.183 4.320 0.003 0.000 0.218 286 A C 2.301 179.931 177.584 0.075 0.000 1.163 286 A CA 1.929 54.001 52.037 0.057 0.000 0.652 286 A CB -1.123 17.906 19.000 0.048 0.000 0.808 286 A HN 0.668 nan 8.150 nan 0.000 0.449 287 T N -2.995 111.588 114.554 0.047 0.000 2.976 287 T HA -0.063 4.289 4.350 0.003 0.000 0.257 287 T C 1.327 176.060 174.700 0.054 0.000 1.051 287 T CA 1.090 63.219 62.100 0.049 0.000 1.141 287 T CB -0.379 68.505 68.868 0.027 0.000 0.881 287 T HN 0.265 nan 8.240 nan 0.000 0.461 288 D N 1.047 121.467 120.400 0.033 0.000 2.190 288 D HA -0.074 4.568 4.640 0.003 0.000 0.200 288 D C 1.860 178.247 176.300 0.145 0.000 0.992 288 D CA 1.217 55.238 54.000 0.035 0.000 0.854 288 D CB -0.287 40.468 40.800 -0.075 0.000 0.936 288 D HN 0.404 nan 8.370 nan 0.000 0.462 289 M N 0.190 119.872 119.600 0.137 0.000 2.216 289 M HA 0.115 4.597 4.480 0.003 0.000 0.264 289 M C 2.008 178.311 176.300 0.004 0.000 1.080 289 M CA 1.829 57.233 55.300 0.173 0.000 1.153 289 M CB -0.564 32.116 32.600 0.133 0.000 1.356 289 M HN -0.061 nan 8.290 nan 0.000 0.432 290 G N -0.761 108.075 108.800 0.060 0.000 2.421 290 G HA2 -0.251 3.711 3.960 0.003 0.000 0.216 290 G HA3 -0.251 3.711 3.960 0.003 0.000 0.216 290 G C 1.466 176.386 174.900 0.033 0.000 1.171 290 G CA 1.639 46.782 45.100 0.072 0.000 0.775 290 G HN 0.615 nan 8.290 nan 0.000 0.543 291 T N -1.817 112.769 114.554 0.055 0.000 2.977 291 T HA -0.025 4.327 4.350 0.003 0.000 0.271 291 T C 2.086 176.805 174.700 0.033 0.000 1.105 291 T CA 1.537 63.667 62.100 0.051 0.000 1.116 291 T CB -0.051 68.855 68.868 0.064 0.000 0.878 291 T HN 0.190 nan 8.240 nan 0.000 0.509 292 M N -0.070 119.535 119.600 0.009 0.000 2.553 292 M HA 0.129 4.611 4.480 0.003 0.000 0.255 292 M C 2.161 178.373 176.300 -0.146 0.000 1.181 292 M CA 0.983 56.244 55.300 -0.065 0.000 1.210 292 M CB -0.434 32.103 32.600 -0.105 0.000 1.280 292 M HN 0.056 nan 8.290 nan 0.000 0.495 293 Q N 1.314 120.973 119.800 -0.236 0.000 2.133 293 Q HA -0.183 4.159 4.340 0.003 0.000 0.208 293 Q C 1.746 177.664 176.000 -0.137 0.000 0.991 293 Q CA 1.647 57.273 55.803 -0.294 0.000 0.867 293 Q CB -0.664 27.643 28.738 -0.719 0.000 0.911 293 Q HN 0.571 nan 8.270 nan 0.000 0.417 294 E N -0.012 120.149 120.200 -0.065 0.000 2.338 294 E HA -0.123 4.229 4.350 0.003 0.000 0.197 294 E C 1.661 178.258 176.600 -0.005 0.000 1.007 294 E CA 0.384 56.790 56.400 0.009 0.000 0.849 294 E CB -0.063 29.668 29.700 0.052 0.000 0.774 294 E HN 0.345 nan 8.360 nan 0.000 0.506 295 R N 0.181 120.665 120.500 -0.027 0.000 2.323 295 R HA 0.140 4.481 4.340 0.003 0.000 0.198 295 R C 0.610 176.887 176.300 -0.039 0.000 0.988 295 R CA 0.191 56.276 56.100 -0.025 0.000 1.041 295 R CB 0.175 30.458 30.300 -0.028 0.000 0.926 295 R HN 0.041 nan 8.270 nan 0.000 0.476 296 I N 1.732 122.271 120.570 -0.052 0.000 2.337 296 I HA 0.155 4.326 4.170 0.003 0.000 0.285 296 I C -0.299 175.790 176.117 -0.045 0.000 1.041 296 I CA -0.083 61.180 61.300 -0.062 0.000 1.199 296 I CB 1.307 39.251 38.000 -0.093 0.000 1.370 296 I HN 0.079 nan 8.210 nan 0.000 0.470 297 T N 0.032 114.562 114.554 -0.041 0.000 2.677 297 T HA 0.249 4.601 4.350 0.003 0.000 0.305 297 T C -0.487 174.189 174.700 -0.040 0.000 1.569 297 T CA -0.893 61.185 62.100 -0.037 0.000 0.984 297 T CB 1.294 70.147 68.868 -0.025 0.000 1.629 297 T HN 0.154 nan 8.240 nan 0.000 0.494 298 T N 2.800 117.329 114.554 -0.043 0.000 2.811 298 T HA 0.580 4.932 4.350 0.003 0.000 0.309 298 T C 0.744 175.416 174.700 -0.046 0.000 1.005 298 T CA -0.500 61.573 62.100 -0.046 0.000 0.955 298 T CB 0.061 68.900 68.868 -0.048 0.000 0.970 298 T HN 0.923 nan 8.240 nan 0.000 0.496 299 T N 0.689 115.218 114.554 -0.042 0.000 2.852 299 T HA 0.415 4.767 4.350 0.003 0.000 0.281 299 T C 1.398 176.071 174.700 -0.045 0.000 0.993 299 T CA -0.915 61.159 62.100 -0.044 0.000 0.933 299 T CB 1.167 70.013 68.868 -0.036 0.000 1.187 299 T HN 0.293 nan 8.240 nan 0.000 0.559 300 K N -0.004 120.369 120.400 -0.045 0.000 2.147 300 K HA -0.017 4.305 4.320 0.003 0.000 0.205 300 K C 2.362 178.940 176.600 -0.036 0.000 1.049 300 K CA 1.180 57.442 56.287 -0.041 0.000 0.936 300 K CB -0.097 32.378 32.500 -0.041 0.000 0.722 300 K HN 0.503 nan 8.250 nan 0.000 0.446 301 K N -0.615 119.763 120.400 -0.037 0.000 2.057 301 K HA -0.020 4.301 4.320 0.003 0.000 0.206 301 K C 1.153 177.732 176.600 -0.035 0.000 1.050 301 K CA 1.089 57.354 56.287 -0.037 0.000 0.935 301 K CB 0.243 32.716 32.500 -0.044 0.000 0.715 301 K HN 0.277 nan 8.250 nan 0.000 0.439 302 G N -0.579 108.200 108.800 -0.034 0.000 2.512 302 G HA2 0.299 4.261 3.960 0.003 0.000 0.186 302 G HA3 0.299 4.261 3.960 0.003 0.000 0.186 302 G C -1.533 173.345 174.900 -0.035 0.000 1.189 302 G CA -0.109 44.972 45.100 -0.032 0.000 0.994 302 G HN 0.164 nan 8.290 nan 0.000 0.506 303 S N -1.133 114.547 115.700 -0.034 0.000 2.543 303 S HA 0.663 5.134 4.470 0.003 0.000 0.274 303 S C -1.381 173.197 174.600 -0.037 0.000 1.149 303 S CA -0.776 57.399 58.200 -0.041 0.000 0.866 303 S CB 1.330 64.496 63.200 -0.058 0.000 1.111 303 S HN 0.868 nan 8.310 nan 0.000 0.457 304 I N 2.163 122.708 120.570 -0.041 0.000 2.404 304 I HA 0.453 4.625 4.170 0.003 0.000 0.293 304 I C -0.323 175.746 176.117 -0.080 0.000 0.992 304 I CA -0.498 60.774 61.300 -0.047 0.000 1.149 304 I CB 2.150 40.127 38.000 -0.038 0.000 1.315 304 I HN 0.667 nan 8.210 nan 0.000 0.446 305 T N 4.044 118.534 114.554 -0.107 0.000 2.792 305 T HA 0.261 4.613 4.350 0.003 0.000 0.280 305 T C -0.321 174.257 174.700 -0.203 0.000 0.990 305 T CA -0.381 61.637 62.100 -0.137 0.000 0.960 305 T CB 1.485 70.283 68.868 -0.117 0.000 0.939 305 T HN 0.499 nan 8.240 nan 0.000 0.439 306 S N 2.418 117.993 115.700 -0.208 0.000 2.449 306 S HA 0.568 5.040 4.470 0.003 0.000 0.310 306 S C -0.340 174.102 174.600 -0.263 0.000 1.096 306 S CA -0.598 57.453 58.200 -0.249 0.000 1.095 306 S CB 0.551 63.634 63.200 -0.194 0.000 1.007 306 S HN 0.483 nan 8.310 nan 0.000 0.474 307 V N 6.249 125.977 119.914 -0.310 0.000 2.333 307 V HA 0.386 4.508 4.120 0.003 0.000 0.274 307 V C -0.167 175.946 176.094 0.032 0.000 1.028 307 V CA -0.450 61.777 62.300 -0.122 0.000 0.851 307 V CB 1.124 33.003 31.823 0.093 0.000 1.000 307 V HN 0.815 nan 8.190 nan 0.000 0.456 308 Q N 3.297 123.093 119.800 -0.007 0.000 2.325 308 Q HA 0.675 5.017 4.340 0.003 0.000 0.262 308 Q C -0.103 175.930 176.000 0.055 0.000 0.968 308 Q CA -0.468 55.337 55.803 0.003 0.000 0.877 308 Q CB 2.142 30.846 28.738 -0.056 0.000 1.253 308 Q HN 0.870 nan 8.270 nan 0.000 0.448 309 A N 4.377 127.242 122.820 0.073 0.000 2.354 309 A HA 0.421 4.743 4.320 0.003 0.000 0.281 309 A C -0.338 177.283 177.584 0.062 0.000 1.174 309 A CA -0.271 51.819 52.037 0.089 0.000 0.828 309 A CB 0.004 19.070 19.000 0.109 0.000 1.099 309 A HN 0.751 nan 8.150 nan 0.000 0.516 310 I N 2.506 123.068 120.570 -0.014 0.000 2.359 310 I HA 0.240 4.412 4.170 0.003 0.000 0.294 310 I C -0.658 175.397 176.117 -0.103 0.000 0.987 310 I CA -0.520 60.729 61.300 -0.084 0.000 1.225 310 I CB 1.342 39.144 38.000 -0.330 0.000 1.366 310 I HN 0.728 nan 8.210 nan 0.000 0.466 311 Y N 6.951 127.187 120.300 -0.106 0.000 2.331 311 Y HA 0.545 5.097 4.550 0.002 0.000 0.338 311 Y C -0.904 174.814 175.900 -0.302 0.000 0.976 311 Y CA -0.815 57.165 58.100 -0.201 0.000 1.137 311 Y CB 1.281 39.630 38.460 -0.185 0.000 1.172 311 Y HN 0.253 nan 8.280 nan 0.000 0.478 312 V N 9.768 129.113 119.914 -0.949 0.000 2.350 312 V HA 0.338 4.460 4.120 0.003 0.000 0.276 312 V C -2.039 173.466 176.094 -0.982 0.000 1.028 312 V CA -1.927 59.947 62.300 -0.711 0.000 0.860 312 V CB 0.943 32.533 31.823 -0.388 0.000 0.990 312 V HN 0.712 nan 8.190 nan 0.000 0.453 313 P HA 0.156 nan 4.420 nan 0.000 0.271 313 P C 0.470 177.632 177.300 -0.229 0.000 1.216 313 P CA 0.525 63.359 63.100 -0.444 0.000 0.776 313 P CB 1.043 32.672 31.700 -0.120 0.000 0.881 314 A N 2.887 125.622 122.820 -0.141 0.000 2.765 314 A HA -0.263 4.058 4.320 0.003 0.000 0.286 314 A C 0.904 178.427 177.584 -0.101 0.000 1.457 314 A CA 1.464 53.455 52.037 -0.077 0.000 0.899 314 A CB -2.578 16.405 19.000 -0.029 0.000 0.983 314 A HN 0.600 nan 8.150 nan 0.000 0.584 315 D N -1.630 118.668 120.400 -0.171 0.000 2.983 315 D HA -0.179 4.463 4.640 0.003 0.000 0.225 315 D C -0.231 176.009 176.300 -0.099 0.000 1.174 315 D CA 1.991 55.910 54.000 -0.135 0.000 0.831 315 D CB -0.910 39.842 40.800 -0.081 0.000 1.104 315 D HN 0.888 nan 8.370 nan 0.000 0.421 316 D N 0.274 120.613 120.400 -0.102 0.000 2.456 316 D HA 0.221 4.863 4.640 0.003 0.000 0.219 316 D C 1.414 177.667 176.300 -0.079 0.000 1.126 316 D CA -0.400 53.559 54.000 -0.068 0.000 0.890 316 D CB 0.235 41.015 40.800 -0.034 0.000 1.025 316 D HN 0.137 nan 8.370 nan 0.000 0.511 317 L N 2.517 123.684 121.223 -0.093 0.000 2.551 317 L HA -0.054 4.288 4.340 0.003 0.000 0.228 317 L C 1.985 178.768 176.870 -0.145 0.000 1.153 317 L CA 1.087 55.842 54.840 -0.142 0.000 0.851 317 L CB -0.076 41.872 42.059 -0.185 0.000 0.959 317 L HN 0.458 nan 8.230 nan 0.000 0.451 318 T N -5.082 109.420 114.554 -0.087 0.000 3.145 318 T HA 0.017 4.368 4.350 0.003 0.000 0.255 318 T C 0.566 175.254 174.700 -0.019 0.000 1.039 318 T CA -0.555 61.507 62.100 -0.063 0.000 0.928 318 T CB -0.240 68.599 68.868 -0.047 0.000 1.029 318 T HN 0.126 nan 8.240 nan 0.000 0.554 319 D N 2.296 122.695 120.400 -0.002 0.000 2.424 319 D HA 0.090 4.732 4.640 0.003 0.000 0.244 319 D C -1.463 174.863 176.300 0.042 0.000 1.134 319 D CA -1.718 52.321 54.000 0.065 0.000 0.881 319 D CB 1.846 42.708 40.800 0.103 0.000 1.191 319 D HN -0.018 nan 8.370 nan 0.000 0.445 320 P HA -0.205 nan 4.420 nan 0.000 0.217 320 P C 0.871 178.005 177.300 -0.277 0.000 1.151 320 P CA 1.847 64.890 63.100 -0.095 0.000 0.849 320 P CB 0.105 31.776 31.700 -0.049 0.000 0.787 321 A N 0.001 122.586 122.820 -0.393 0.000 1.835 321 A HA -0.118 4.204 4.320 0.003 0.000 0.215 321 A C -0.017 177.584 177.584 0.028 0.000 1.199 321 A CA 2.272 54.148 52.037 -0.269 0.000 0.615 321 A CB -2.233 16.815 19.000 0.080 0.000 0.838 321 A HN 0.205 nan 8.150 nan 0.000 0.444 322 P HA -0.168 nan 4.420 nan 0.000 0.214 322 P C 1.736 179.154 177.300 0.196 0.000 1.163 322 P CA 2.259 65.466 63.100 0.179 0.000 0.883 322 P CB -0.353 31.402 31.700 0.092 0.000 0.788 323 A N -0.468 122.385 122.820 0.055 0.000 1.903 323 A HA -0.254 4.068 4.320 0.003 0.000 0.219 323 A C 2.414 180.058 177.584 0.100 0.000 1.191 323 A CA 3.012 55.064 52.037 0.025 0.000 0.638 323 A CB -2.079 16.910 19.000 -0.019 0.000 0.823 323 A HN 0.212 nan 8.150 nan 0.000 0.451 324 T N -0.192 114.405 114.554 0.072 0.000 2.652 324 T HA -0.142 4.210 4.350 0.003 0.000 0.267 324 T C 2.050 176.866 174.700 0.194 0.000 1.039 324 T CA 2.121 64.276 62.100 0.092 0.000 1.153 324 T CB -0.717 68.175 68.868 0.040 0.000 0.863 324 T HN 0.637 nan 8.240 nan 0.000 0.428 325 T N 1.710 116.397 114.554 0.222 0.000 2.699 325 T HA -0.114 4.237 4.350 0.003 0.000 0.268 325 T C 1.536 176.398 174.700 0.270 0.000 1.036 325 T CA 1.176 63.428 62.100 0.254 0.000 1.147 325 T CB -0.612 68.381 68.868 0.209 0.000 0.862 325 T HN 0.274 nan 8.240 nan 0.000 0.446 326 F N 1.570 121.576 119.950 0.093 0.000 2.494 326 F HA 0.147 4.675 4.527 0.003 0.000 0.298 326 F C 2.441 178.259 175.800 0.031 0.000 1.106 326 F CA -0.032 58.014 58.000 0.076 0.000 1.452 326 F CB -0.745 38.294 39.000 0.064 0.000 1.085 326 F HN 0.151 nan 8.300 nan 0.000 0.569 327 A N -0.904 122.006 122.820 0.150 0.000 2.024 327 A HA -0.197 4.124 4.320 0.003 0.000 0.220 327 A C 1.890 179.338 177.584 -0.226 0.000 1.164 327 A CA 1.718 53.712 52.037 -0.071 0.000 0.643 327 A CB -0.743 18.147 19.000 -0.182 0.000 0.806 327 A HN 0.464 nan 8.150 nan 0.000 0.451 328 H N -1.219 117.869 119.070 0.029 0.000 2.654 328 H HA 0.273 4.831 4.556 0.003 0.000 0.264 328 H C 0.137 175.435 175.328 -0.049 0.000 0.954 328 H CA -0.093 55.949 56.048 -0.010 0.000 1.199 328 H CB 0.032 29.783 29.762 -0.018 0.000 1.446 328 H HN 0.329 nan 8.280 nan 0.000 0.516 329 L N 2.058 123.290 121.223 0.015 0.000 2.416 329 L HA 0.035 4.377 4.340 0.003 0.000 0.272 329 L C 0.793 177.623 176.870 -0.067 0.000 1.161 329 L CA 0.162 54.951 54.840 -0.085 0.000 0.845 329 L CB 0.778 42.688 42.059 -0.248 0.000 1.119 329 L HN 0.057 nan 8.230 nan 0.000 0.464 330 D N 1.992 122.344 120.400 -0.080 0.000 2.398 330 D HA 0.350 4.992 4.640 0.003 0.000 0.210 330 D C 0.261 176.522 176.300 -0.065 0.000 1.094 330 D CA 0.382 54.347 54.000 -0.059 0.000 0.839 330 D CB 1.294 42.061 40.800 -0.055 0.000 0.963 330 D HN 0.616 nan 8.370 nan 0.000 0.506 331 A N 0.300 123.056 122.820 -0.108 0.000 2.581 331 A HA 0.475 4.797 4.320 0.003 0.000 0.294 331 A C -0.800 176.691 177.584 -0.156 0.000 1.035 331 A CA -0.729 51.246 52.037 -0.103 0.000 0.684 331 A CB 0.993 19.954 19.000 -0.065 0.000 1.282 331 A HN -0.035 nan 8.150 nan 0.000 0.417 332 T N -1.102 113.365 114.554 -0.144 0.000 2.841 332 T HA 0.759 5.111 4.350 0.003 0.000 0.283 332 T C -0.562 174.065 174.700 -0.122 0.000 1.000 332 T CA -0.486 61.488 62.100 -0.210 0.000 0.977 332 T CB 1.758 70.373 68.868 -0.421 0.000 0.979 332 T HN 0.785 nan 8.240 nan 0.000 0.446 333 T N 2.983 117.503 114.554 -0.057 0.000 2.893 333 T HA 0.435 4.787 4.350 0.003 0.000 0.324 333 T C -0.200 174.518 174.700 0.029 0.000 1.082 333 T CA -0.487 61.648 62.100 0.058 0.000 0.983 333 T CB 0.401 69.392 68.868 0.205 0.000 1.005 333 T HN 0.656 nan 8.240 nan 0.000 0.475 334 V N 6.080 125.967 119.914 -0.045 0.000 2.339 334 V HA 0.309 4.431 4.120 0.003 0.000 0.261 334 V C 0.492 176.617 176.094 0.052 0.000 1.058 334 V CA -0.702 61.591 62.300 -0.012 0.000 0.897 334 V CB 0.148 31.913 31.823 -0.097 0.000 1.052 334 V HN 0.735 nan 8.190 nan 0.000 0.480 335 L N 4.116 125.402 121.223 0.105 0.000 2.367 335 L HA 0.371 4.713 4.340 0.003 0.000 0.275 335 L C 0.615 177.506 176.870 0.035 0.000 1.129 335 L CA 0.491 55.368 54.840 0.063 0.000 0.839 335 L CB 1.367 43.477 42.059 0.085 0.000 1.133 335 L HN 0.708 nan 8.230 nan 0.000 0.453 336 S N 3.249 118.940 115.700 -0.016 0.000 2.519 336 S HA 0.340 4.812 4.470 0.003 0.000 0.309 336 S C 0.851 175.416 174.600 -0.058 0.000 1.100 336 S CA -0.766 57.420 58.200 -0.023 0.000 1.059 336 S CB 1.496 64.680 63.200 -0.027 0.000 1.008 336 S HN 0.673 nan 8.310 nan 0.000 0.478 337 R N 2.735 123.216 120.500 -0.032 0.000 2.120 337 R HA -0.073 4.269 4.340 0.003 0.000 0.234 337 R C 2.269 178.543 176.300 -0.043 0.000 1.123 337 R CA 1.535 57.614 56.100 -0.036 0.000 0.975 337 R CB -0.407 29.890 30.300 -0.005 0.000 0.866 337 R HN 0.783 nan 8.270 nan 0.000 0.446 338 A N 1.248 124.048 122.820 -0.034 0.000 1.873 338 A HA -0.136 4.186 4.320 0.003 0.000 0.215 338 A C 2.004 179.563 177.584 -0.042 0.000 1.186 338 A CA 1.021 53.040 52.037 -0.029 0.000 0.616 338 A CB -0.313 18.673 19.000 -0.023 0.000 0.823 338 A HN 0.089 nan 8.150 nan 0.000 0.442 339 I N 0.173 120.706 120.570 -0.062 0.000 2.163 339 I HA -0.272 3.899 4.170 0.003 0.000 0.243 339 I C 2.995 179.036 176.117 -0.127 0.000 1.085 339 I CA 1.509 62.764 61.300 -0.075 0.000 1.347 339 I CB -1.650 36.297 38.000 -0.088 0.000 1.044 339 I HN 0.376 nan 8.210 nan 0.000 0.408 340 A N 0.469 123.152 122.820 -0.228 0.000 1.892 340 A HA -0.260 4.062 4.320 0.003 0.000 0.218 340 A C 2.230 179.768 177.584 -0.077 0.000 1.188 340 A CA 1.930 53.743 52.037 -0.373 0.000 0.631 340 A CB -0.843 17.923 19.000 -0.390 0.000 0.822 340 A HN 0.495 nan 8.150 nan 0.000 0.447 341 E N -0.493 119.689 120.200 -0.030 0.000 2.331 341 E HA -0.119 4.233 4.350 0.003 0.000 0.199 341 E C 1.404 178.023 176.600 0.032 0.000 1.008 341 E CA 0.679 57.091 56.400 0.020 0.000 0.843 341 E CB -0.237 29.468 29.700 0.008 0.000 0.761 341 E HN 0.671 nan 8.360 nan 0.000 0.507 342 L N -0.922 120.315 121.223 0.024 0.000 2.599 342 L HA 0.102 4.443 4.340 0.003 0.000 0.230 342 L C 1.641 178.562 176.870 0.085 0.000 1.141 342 L CA 0.477 55.343 54.840 0.043 0.000 0.877 342 L CB -0.083 42.006 42.059 0.049 0.000 1.009 342 L HN 0.309 nan 8.230 nan 0.000 0.447 343 G N 0.668 109.552 108.800 0.140 0.000 2.253 343 G HA2 -0.297 3.665 3.960 0.003 0.000 0.251 343 G HA3 -0.297 3.665 3.960 0.003 0.000 0.251 343 G C 0.442 175.608 174.900 0.444 0.000 0.998 343 G CA -0.187 45.087 45.100 0.290 0.000 0.621 343 G HN 0.270 nan 8.290 nan 0.000 0.524 344 I N 0.906 121.630 120.570 0.258 0.000 2.741 344 I HA 0.286 4.458 4.170 0.003 0.000 0.288 344 I C 0.109 176.246 176.117 0.034 0.000 1.192 344 I CA 0.613 62.031 61.300 0.197 0.000 1.426 344 I CB -0.003 38.060 38.000 0.106 0.000 1.367 344 I HN 0.167 nan 8.210 nan 0.000 0.563 345 Y N 6.653 126.924 120.300 -0.050 0.000 2.482 345 Y HA 0.298 4.850 4.550 0.003 0.000 0.334 345 Y C -2.305 173.436 175.900 -0.265 0.000 1.091 345 Y CA -2.269 55.736 58.100 -0.158 0.000 1.027 345 Y CB 1.919 40.255 38.460 -0.206 0.000 1.306 345 Y HN 0.410 nan 8.280 nan 0.000 0.446 346 P HA 0.046 nan 4.420 nan 0.000 0.265 346 P C -0.073 177.168 177.300 -0.099 0.000 1.193 346 P CA 0.143 63.188 63.100 -0.091 0.000 0.765 346 P CB 0.841 32.557 31.700 0.027 0.000 0.823 347 A N 3.644 126.324 122.820 -0.233 0.000 2.223 347 A HA 0.115 4.437 4.320 0.003 0.000 0.222 347 A C 0.686 178.201 177.584 -0.116 0.000 1.317 347 A CA -0.081 51.784 52.037 -0.287 0.000 0.985 347 A CB -1.034 17.674 19.000 -0.488 0.000 0.858 347 A HN 0.408 nan 8.150 nan 0.000 0.496 348 V N 1.071 120.958 119.914 -0.044 0.000 2.740 348 V HA 0.021 4.143 4.120 0.003 0.000 0.303 348 V C 0.357 176.439 176.094 -0.021 0.000 1.054 348 V CA -0.141 62.156 62.300 -0.004 0.000 1.106 348 V CB 1.127 32.967 31.823 0.028 0.000 0.957 348 V HN 0.553 nan 8.190 nan 0.000 0.486 349 D N 6.838 127.226 120.400 -0.019 0.000 2.347 349 D HA 0.247 4.889 4.640 0.003 0.000 0.235 349 D C -1.355 174.927 176.300 -0.029 0.000 1.149 349 D CA -2.198 51.787 54.000 -0.025 0.000 0.850 349 D CB 1.820 42.604 40.800 -0.026 0.000 1.061 349 D HN 0.242 nan 8.370 nan 0.000 0.487 350 P HA -0.057 nan 4.420 nan 0.000 0.230 350 P C 1.136 178.411 177.300 -0.043 0.000 1.158 350 P CA 0.680 63.754 63.100 -0.043 0.000 0.769 350 P CB 0.523 32.197 31.700 -0.044 0.000 0.807 351 L N -1.687 119.516 121.223 -0.034 0.000 2.642 351 L HA 0.206 4.548 4.340 0.003 0.000 0.233 351 L C 1.652 178.500 176.870 -0.037 0.000 1.077 351 L CA 0.449 55.270 54.840 -0.033 0.000 0.879 351 L CB -0.212 41.832 42.059 -0.025 0.000 1.151 351 L HN -0.204 nan 8.230 nan 0.000 0.495 352 D N -0.370 120.004 120.400 -0.042 0.000 2.301 352 D HA 0.035 4.677 4.640 0.003 0.000 0.206 352 D C 0.733 176.981 176.300 -0.087 0.000 0.979 352 D CA 0.375 54.341 54.000 -0.057 0.000 0.874 352 D CB 0.406 41.175 40.800 -0.052 0.000 0.968 352 D HN -0.014 nan 8.370 nan 0.000 0.510 353 S N 0.069 115.723 115.700 -0.077 0.000 2.564 353 S HA 0.405 4.877 4.470 0.003 0.000 0.278 353 S C 0.500 175.061 174.600 -0.065 0.000 1.333 353 S CA -0.250 57.897 58.200 -0.088 0.000 1.048 353 S CB 1.116 64.291 63.200 -0.042 0.000 0.900 353 S HN 0.335 nan 8.310 nan 0.000 0.505 354 T N -1.012 113.498 114.554 -0.073 0.000 2.838 354 T HA 0.792 5.144 4.350 0.003 0.000 0.292 354 T C -0.688 174.001 174.700 -0.018 0.000 1.113 354 T CA -0.838 61.240 62.100 -0.036 0.000 1.008 354 T CB 1.894 70.744 68.868 -0.031 0.000 1.259 354 T HN 0.472 nan 8.240 nan 0.000 0.520 355 S N -1.383 114.316 115.700 -0.002 0.000 2.543 355 S HA 0.419 4.891 4.470 0.003 0.000 0.271 355 S C 0.577 175.180 174.600 0.004 0.000 1.148 355 S CA -0.788 57.415 58.200 0.004 0.000 0.914 355 S CB 1.766 64.980 63.200 0.024 0.000 1.096 355 S HN 0.790 nan 8.310 nan 0.000 0.471 356 R N 2.080 122.577 120.500 -0.004 0.000 2.092 356 R HA 0.065 4.407 4.340 0.003 0.000 0.231 356 R C 1.817 178.110 176.300 -0.010 0.000 1.119 356 R CA 1.790 57.887 56.100 -0.004 0.000 0.970 356 R CB -0.419 29.876 30.300 -0.009 0.000 0.864 356 R HN 0.816 nan 8.270 nan 0.000 0.440 357 I N -1.797 118.765 120.570 -0.014 0.000 3.605 357 I HA 0.049 4.221 4.170 0.003 0.000 0.301 357 I C 0.513 176.605 176.117 -0.042 0.000 1.267 357 I CA 0.347 61.631 61.300 -0.028 0.000 1.236 357 I CB -0.006 37.980 38.000 -0.024 0.000 1.010 357 I HN 0.004 nan 8.210 nan 0.000 0.491 358 M N 3.007 122.600 119.600 -0.012 0.000 3.422 358 M HA 0.231 4.713 4.480 0.003 0.000 0.248 358 M C -0.998 175.350 176.300 0.081 0.000 1.433 358 M CA 0.483 55.803 55.300 0.033 0.000 1.592 358 M CB -1.013 31.624 32.600 0.061 0.000 1.078 358 M HN 0.253 nan 8.290 nan 0.000 0.578 359 D N 2.453 122.815 120.400 -0.063 0.000 2.757 359 D HA 0.401 5.043 4.640 0.003 0.000 0.249 359 D C -1.837 174.291 176.300 -0.287 0.000 1.168 359 D CA -1.573 52.275 54.000 -0.254 0.000 0.870 359 D CB 2.370 43.074 40.800 -0.160 0.000 1.411 359 D HN 0.075 nan 8.370 nan 0.000 0.525 360 P HA -0.163 nan 4.420 nan 0.000 0.217 360 P C 0.411 177.623 177.300 -0.146 0.000 1.148 360 P CA 1.072 64.004 63.100 -0.280 0.000 0.828 360 P CB 0.229 31.714 31.700 -0.357 0.000 0.783 361 N N -1.127 117.471 118.700 -0.169 0.000 2.571 361 N HA 0.027 4.769 4.740 0.003 0.000 0.189 361 N C 1.517 176.985 175.510 -0.070 0.000 1.154 361 N CA 0.556 53.547 53.050 -0.098 0.000 0.907 361 N CB -0.213 38.216 38.487 -0.096 0.000 0.977 361 N HN 0.271 nan 8.380 nan 0.000 0.449 362 I N -2.060 118.464 120.570 -0.076 0.000 4.578 362 I HA 0.001 4.173 4.170 0.003 0.000 0.312 362 I C 1.204 177.301 176.117 -0.033 0.000 1.224 362 I CA 0.204 61.474 61.300 -0.050 0.000 1.318 362 I CB 0.429 38.396 38.000 -0.055 0.000 1.388 362 I HN -0.041 nan 8.210 nan 0.000 0.461 363 V N -1.088 118.795 119.914 -0.050 0.000 3.660 363 V HA 0.603 4.724 4.120 0.003 0.000 0.276 363 V C 0.859 176.997 176.094 0.073 0.000 1.317 363 V CA 0.167 62.446 62.300 -0.035 0.000 1.097 363 V CB -0.622 31.020 31.823 -0.301 0.000 0.863 363 V HN 0.449 nan 8.190 nan 0.000 0.438 364 G N 0.974 109.802 108.800 0.048 0.000 2.879 364 G HA2 -0.140 3.822 3.960 0.003 0.000 0.686 364 G HA3 -0.140 3.822 3.960 0.003 0.000 0.686 364 G C 0.486 175.468 174.900 0.137 0.000 1.115 364 G CA 0.498 45.645 45.100 0.079 0.000 0.770 364 G HN 1.214 nan 8.290 nan 0.000 0.601 365 S N 0.437 116.204 115.700 0.112 0.000 2.381 365 S HA -0.258 4.214 4.470 0.003 0.000 0.230 365 S C 1.898 176.613 174.600 0.191 0.000 1.052 365 S CA 2.497 60.792 58.200 0.159 0.000 1.068 365 S CB -0.297 62.962 63.200 0.098 0.000 0.918 365 S HN 0.994 nan 8.310 nan 0.000 0.448 366 E N 0.078 120.367 120.200 0.148 0.000 2.005 366 E HA -0.299 4.053 4.350 0.003 0.000 0.198 366 E C 2.042 178.752 176.600 0.182 0.000 1.010 366 E CA 1.659 58.138 56.400 0.132 0.000 0.825 366 E CB -0.709 29.051 29.700 0.100 0.000 0.769 366 E HN 0.880 nan 8.360 nan 0.000 0.456 367 H N -1.392 117.728 119.070 0.083 0.000 2.292 367 H HA -0.267 4.290 4.556 0.003 0.000 0.292 367 H C 2.262 177.635 175.328 0.075 0.000 1.100 367 H CA 2.087 58.179 56.048 0.073 0.000 1.238 367 H CB -0.284 29.524 29.762 0.076 0.000 1.355 367 H HN 0.317 nan 8.280 nan 0.000 0.484 368 Y N 1.547 121.938 120.300 0.150 0.000 2.165 368 Y HA -0.249 4.303 4.550 0.003 0.000 0.286 368 Y C 2.019 177.954 175.900 0.059 0.000 1.155 368 Y CA 1.992 60.116 58.100 0.040 0.000 1.164 368 Y CB -0.288 38.170 38.460 -0.003 0.000 0.978 368 Y HN 0.368 nan 8.280 nan 0.000 0.513 369 D N -0.841 119.582 120.400 0.039 0.000 2.149 369 D HA -0.142 4.500 4.640 0.003 0.000 0.201 369 D C 2.428 178.692 176.300 -0.061 0.000 0.972 369 D CA 1.410 55.379 54.000 -0.051 0.000 0.835 369 D CB -0.378 40.455 40.800 0.056 0.000 0.966 369 D HN 0.312 nan 8.370 nan 0.000 0.476 370 V N 1.814 121.734 119.914 0.011 0.000 2.261 370 V HA -0.260 3.862 4.120 0.003 0.000 0.246 370 V C 2.628 178.703 176.094 -0.033 0.000 1.047 370 V CA 1.908 64.222 62.300 0.022 0.000 1.015 370 V CB -0.936 30.924 31.823 0.061 0.000 0.642 370 V HN 0.169 nan 8.190 nan 0.000 0.446 371 A N 0.200 122.994 122.820 -0.043 0.000 1.873 371 A HA -0.258 4.064 4.320 0.003 0.000 0.218 371 A C 2.254 179.740 177.584 -0.164 0.000 1.193 371 A CA 1.940 53.918 52.037 -0.098 0.000 0.629 371 A CB -0.564 18.406 19.000 -0.049 0.000 0.826 371 A HN 0.426 nan 8.150 nan 0.000 0.447 372 R N -0.422 119.914 120.500 -0.273 0.000 2.285 372 R HA -0.073 4.269 4.340 0.003 0.000 0.213 372 R C 2.093 178.312 176.300 -0.136 0.000 1.068 372 R CA 1.000 56.942 56.100 -0.264 0.000 1.004 372 R CB -1.117 28.923 30.300 -0.433 0.000 0.873 372 R HN 0.586 nan 8.270 nan 0.000 0.467 373 G N -0.018 108.725 108.800 -0.094 0.000 2.408 373 G HA2 -0.104 3.858 3.960 0.003 0.000 0.213 373 G HA3 -0.104 3.858 3.960 0.003 0.000 0.213 373 G C 1.508 176.399 174.900 -0.015 0.000 1.177 373 G CA 0.194 45.274 45.100 -0.035 0.000 0.802 373 G HN 0.106 nan 8.290 nan 0.000 0.533 374 V N 0.911 120.810 119.914 -0.025 0.000 2.287 374 V HA -0.284 3.838 4.120 0.003 0.000 0.248 374 V C 2.899 178.978 176.094 -0.024 0.000 1.053 374 V CA 2.303 64.591 62.300 -0.019 0.000 1.027 374 V CB -0.726 31.020 31.823 -0.128 0.000 0.646 374 V HN 0.405 nan 8.190 nan 0.000 0.447 375 Q N -0.182 119.586 119.800 -0.053 0.000 2.046 375 Q HA -0.247 4.095 4.340 0.003 0.000 0.200 375 Q C 2.368 178.359 176.000 -0.014 0.000 0.975 375 Q CA 1.831 57.610 55.803 -0.039 0.000 0.836 375 Q CB -0.252 28.451 28.738 -0.059 0.000 0.896 375 Q HN 0.615 nan 8.270 nan 0.000 0.428 376 K N 0.788 121.177 120.400 -0.019 0.000 2.009 376 K HA -0.215 4.107 4.320 0.003 0.000 0.210 376 K C 1.989 178.602 176.600 0.021 0.000 1.049 376 K CA 1.250 57.535 56.287 -0.003 0.000 0.929 376 K CB -0.214 32.282 32.500 -0.008 0.000 0.714 376 K HN 0.063 nan 8.250 nan 0.000 0.440 377 I N 1.432 122.018 120.570 0.027 0.000 2.151 377 I HA -0.277 3.895 4.170 0.003 0.000 0.243 377 I C 1.875 178.046 176.117 0.090 0.000 1.080 377 I CA 1.451 62.780 61.300 0.049 0.000 1.339 377 I CB -0.142 37.881 38.000 0.038 0.000 1.039 377 I HN 0.262 nan 8.210 nan 0.000 0.409 378 L N -0.652 120.620 121.223 0.081 0.000 2.131 378 L HA -0.260 4.082 4.340 0.003 0.000 0.210 378 L C 2.474 179.397 176.870 0.089 0.000 1.092 378 L CA 1.318 56.229 54.840 0.117 0.000 0.759 378 L CB -0.566 41.534 42.059 0.069 0.000 0.903 378 L HN 0.392 nan 8.230 nan 0.000 0.435 379 Q N -0.395 119.434 119.800 0.048 0.000 2.020 379 Q HA -0.172 4.170 4.340 0.003 0.000 0.198 379 Q C 1.882 177.902 176.000 0.032 0.000 0.974 379 Q CA 1.407 57.222 55.803 0.021 0.000 0.829 379 Q CB 0.050 28.793 28.738 0.008 0.000 0.894 379 Q HN 0.452 nan 8.270 nan 0.000 0.433 380 D N 0.038 120.471 120.400 0.056 0.000 2.116 380 D HA -0.214 4.428 4.640 0.003 0.000 0.193 380 D C 1.748 178.113 176.300 0.108 0.000 0.998 380 D CA 1.200 55.239 54.000 0.065 0.000 0.836 380 D CB -0.428 40.411 40.800 0.065 0.000 0.951 380 D HN 0.239 nan 8.370 nan 0.000 0.449 381 Y N 2.117 122.417 120.300 -0.000 0.000 2.151 381 Y HA -0.226 4.325 4.550 0.003 0.000 0.284 381 Y C 2.199 178.099 175.900 0.001 0.000 1.166 381 Y CA 1.468 59.569 58.100 0.001 0.000 1.163 381 Y CB -0.362 38.099 38.460 0.003 0.000 0.974 381 Y HN -0.157 nan 8.280 nan 0.000 0.511 382 K N -0.293 120.015 120.400 -0.155 0.000 2.074 382 K HA -0.204 4.118 4.320 0.003 0.000 0.209 382 K C 2.283 178.790 176.600 -0.155 0.000 1.048 382 K CA 1.773 57.916 56.287 -0.239 0.000 0.926 382 K CB -0.228 32.198 32.500 -0.124 0.000 0.713 382 K HN 0.352 nan 8.250 nan 0.000 0.444 383 S N 1.324 116.985 115.700 -0.065 0.000 2.365 383 S HA -0.168 4.304 4.470 0.003 0.000 0.221 383 S C 1.878 176.458 174.600 -0.033 0.000 1.037 383 S CA 1.503 59.682 58.200 -0.035 0.000 1.060 383 S CB -0.394 62.805 63.200 -0.003 0.000 0.974 383 S HN 0.263 nan 8.310 nan 0.000 0.427 384 L N 1.483 122.706 121.223 0.000 0.000 2.129 384 L HA -0.215 4.127 4.340 0.003 0.000 0.212 384 L C 2.776 179.642 176.870 -0.005 0.000 1.087 384 L CA 1.193 56.050 54.840 0.029 0.000 0.757 384 L CB -0.689 41.437 42.059 0.112 0.000 0.896 384 L HN 0.416 nan 8.230 nan 0.000 0.434 385 Q N 0.113 119.851 119.800 -0.103 0.000 2.156 385 Q HA -0.287 4.054 4.340 0.003 0.000 0.211 385 Q C 1.763 177.723 176.000 -0.066 0.000 0.995 385 Q CA 2.139 57.855 55.803 -0.145 0.000 0.877 385 Q CB -0.041 28.524 28.738 -0.288 0.000 0.920 385 Q HN 0.527 nan 8.270 nan 0.000 0.416 386 D N -0.236 120.130 120.400 -0.055 0.000 2.117 386 D HA -0.121 4.521 4.640 0.003 0.000 0.198 386 D C 1.768 178.060 176.300 -0.013 0.000 0.982 386 D CA 0.793 54.773 54.000 -0.033 0.000 0.828 386 D CB -0.137 40.645 40.800 -0.030 0.000 0.967 386 D HN 0.173 nan 8.370 nan 0.000 0.464 387 I N 0.947 121.514 120.570 -0.005 0.000 2.113 387 I HA -0.253 3.919 4.170 0.003 0.000 0.238 387 I C 2.116 178.241 176.117 0.013 0.000 1.070 387 I CA 0.626 61.929 61.300 0.007 0.000 1.332 387 I CB -0.263 37.745 38.000 0.013 0.000 1.044 387 I HN -0.029 nan 8.210 nan 0.000 0.402 388 I N 0.894 121.478 120.570 0.024 0.000 2.121 388 I HA -0.405 3.766 4.170 0.003 0.000 0.243 388 I C 2.651 178.782 176.117 0.023 0.000 1.047 388 I CA 2.122 63.442 61.300 0.034 0.000 1.308 388 I CB -2.018 36.016 38.000 0.058 0.000 1.015 388 I HN 0.286 nan 8.210 nan 0.000 0.410 389 A N 0.176 123.005 122.820 0.014 0.000 1.933 389 A HA -0.130 4.192 4.320 0.003 0.000 0.218 389 A C 2.208 179.796 177.584 0.007 0.000 1.175 389 A CA 1.358 53.401 52.037 0.009 0.000 0.628 389 A CB -0.363 18.637 19.000 0.000 0.000 0.814 389 A HN 0.329 nan 8.150 nan 0.000 0.444 390 I N -0.297 120.276 120.570 0.005 0.000 2.490 390 I HA -0.028 4.144 4.170 0.003 0.000 0.234 390 I C 2.061 178.181 176.117 0.006 0.000 1.066 390 I CA 0.873 62.175 61.300 0.004 0.000 1.405 390 I CB -1.616 36.385 38.000 0.001 0.000 1.191 390 I HN 0.245 nan 8.210 nan 0.000 0.433 391 L N 1.008 122.235 121.223 0.007 0.000 2.650 391 L HA 0.311 4.653 4.340 0.003 0.000 0.235 391 L C 0.798 177.675 176.870 0.011 0.000 1.149 391 L CA 0.158 55.003 54.840 0.008 0.000 0.887 391 L CB -1.421 40.643 42.059 0.008 0.000 1.021 391 L HN 0.464 nan 8.230 nan 0.000 0.441 392 G N 0.406 109.213 108.800 0.013 0.000 2.778 392 G HA2 -0.275 3.687 3.960 0.003 0.000 0.686 392 G HA3 -0.275 3.687 3.960 0.003 0.000 0.686 392 G C 0.085 174.996 174.900 0.020 0.000 1.309 392 G CA -0.486 44.624 45.100 0.016 0.000 0.904 392 G HN 0.127 nan 8.290 nan 0.000 0.593 393 M N 0.850 120.464 119.600 0.024 0.000 2.873 393 M HA -0.048 4.433 4.480 0.003 0.000 0.208 393 M C 0.861 177.175 176.300 0.024 0.000 0.965 393 M CA 1.236 56.553 55.300 0.029 0.000 1.103 393 M CB -0.333 32.285 32.600 0.031 0.000 1.620 393 M HN 0.587 nan 8.290 nan 0.000 0.534 394 D N -1.124 119.288 120.400 0.019 0.000 2.510 394 D HA 0.007 4.649 4.640 0.003 0.000 0.234 394 D C 1.183 177.492 176.300 0.015 0.000 1.178 394 D CA 0.064 54.074 54.000 0.016 0.000 0.816 394 D CB 0.397 41.205 40.800 0.013 0.000 1.143 394 D HN 0.299 nan 8.370 nan 0.000 0.526 395 E N 0.941 121.150 120.200 0.015 0.000 2.515 395 E HA -0.014 4.338 4.350 0.003 0.000 0.201 395 E C 0.443 177.051 176.600 0.014 0.000 1.071 395 E CA 0.018 56.426 56.400 0.013 0.000 0.880 395 E CB 0.065 29.772 29.700 0.012 0.000 0.828 395 E HN 0.377 nan 8.360 nan 0.000 0.540 396 L N 2.479 123.712 121.223 0.017 0.000 2.628 396 L HA -0.064 4.278 4.340 0.003 0.000 0.274 396 L C 0.973 177.852 176.870 0.015 0.000 1.209 396 L CA 0.074 54.926 54.840 0.019 0.000 0.930 396 L CB -0.025 42.047 42.059 0.023 0.000 1.183 396 L HN 0.027 nan 8.230 nan 0.000 0.492 397 S N 1.675 117.383 115.700 0.014 0.000 2.603 397 S HA 0.113 4.585 4.470 0.003 0.000 0.268 397 S C 0.899 175.505 174.600 0.009 0.000 1.317 397 S CA -0.810 57.397 58.200 0.011 0.000 1.012 397 S CB 1.343 64.549 63.200 0.011 0.000 0.926 397 S HN 0.675 nan 8.310 nan 0.000 0.539 398 E N 0.748 120.952 120.200 0.008 0.000 2.284 398 E HA -0.226 4.126 4.350 0.003 0.000 0.200 398 E C 1.639 178.242 176.600 0.005 0.000 1.008 398 E CA 1.664 58.067 56.400 0.006 0.000 0.829 398 E CB -0.037 29.666 29.700 0.005 0.000 0.744 398 E HN 0.758 nan 8.360 nan 0.000 0.491 399 E N 0.134 120.338 120.200 0.006 0.000 2.057 399 E HA -0.093 4.259 4.350 0.003 0.000 0.190 399 E C 1.611 178.216 176.600 0.008 0.000 0.969 399 E CA 0.345 56.749 56.400 0.006 0.000 0.812 399 E CB 0.161 29.866 29.700 0.008 0.000 0.777 399 E HN 0.105 nan 8.360 nan 0.000 0.455 400 D N 0.926 121.334 120.400 0.013 0.000 2.263 400 D HA -0.101 4.541 4.640 0.003 0.000 0.208 400 D C 1.378 177.688 176.300 0.016 0.000 0.971 400 D CA 0.957 54.969 54.000 0.020 0.000 0.867 400 D CB 0.114 40.929 40.800 0.025 0.000 0.929 400 D HN 0.101 nan 8.370 nan 0.000 0.492 401 K N -0.391 120.014 120.400 0.007 0.000 2.361 401 K HA 0.023 4.345 4.320 0.003 0.000 0.196 401 K C 1.633 178.223 176.600 -0.017 0.000 1.039 401 K CA 0.017 56.303 56.287 -0.001 0.000 1.001 401 K CB 0.541 33.042 32.500 0.003 0.000 0.795 401 K HN 0.031 nan 8.250 nan 0.000 0.495 402 L N 1.049 122.263 121.223 -0.015 0.000 2.202 402 L HA -0.081 4.261 4.340 0.003 0.000 0.205 402 L C 2.557 179.403 176.870 -0.040 0.000 1.083 402 L CA 1.616 56.442 54.840 -0.024 0.000 0.790 402 L CB -0.556 41.495 42.059 -0.013 0.000 0.942 402 L HN 0.242 nan 8.230 nan 0.000 0.452 403 T N -3.776 110.763 114.554 -0.026 0.000 2.788 403 T HA -0.158 4.194 4.350 0.003 0.000 0.268 403 T C 1.819 176.468 174.700 -0.085 0.000 1.044 403 T CA 1.623 63.708 62.100 -0.025 0.000 1.139 403 T CB -0.916 67.961 68.868 0.015 0.000 0.867 403 T HN 0.064 nan 8.240 nan 0.000 0.454 404 V N 2.856 122.709 119.914 -0.101 0.000 2.229 404 V HA -0.184 3.938 4.120 0.003 0.000 0.243 404 V C 3.215 179.120 176.094 -0.316 0.000 1.042 404 V CA 2.103 64.244 62.300 -0.266 0.000 1.000 404 V CB -1.449 30.291 31.823 -0.139 0.000 0.637 404 V HN 0.791 nan 8.190 nan 0.000 0.446 405 S N 1.571 117.168 115.700 -0.172 0.000 2.389 405 S HA -0.382 4.090 4.470 0.003 0.000 0.229 405 S C 2.045 176.548 174.600 -0.161 0.000 1.048 405 S CA 2.333 60.453 58.200 -0.135 0.000 1.117 405 S CB -0.775 62.384 63.200 -0.069 0.000 1.020 405 S HN 0.589 nan 8.310 nan 0.000 0.430 406 R N 2.004 122.420 120.500 -0.140 0.000 2.080 406 R HA 0.004 4.346 4.340 0.003 0.000 0.236 406 R C 2.919 179.121 176.300 -0.164 0.000 1.137 406 R CA 1.374 57.388 56.100 -0.144 0.000 0.943 406 R CB -1.153 29.095 30.300 -0.087 0.000 0.846 406 R HN 0.606 nan 8.270 nan 0.000 0.431 407 A N 1.836 124.549 122.820 -0.178 0.000 1.927 407 A HA -0.229 4.093 4.320 0.003 0.000 0.220 407 A C 2.125 179.592 177.584 -0.196 0.000 1.185 407 A CA 1.664 53.600 52.037 -0.169 0.000 0.639 407 A CB -0.508 18.324 19.000 -0.280 0.000 0.820 407 A HN 0.293 nan 8.150 nan 0.000 0.451 408 R N -0.485 119.814 120.500 -0.335 0.000 2.148 408 R HA -0.052 4.290 4.340 0.003 0.000 0.227 408 R C 2.031 178.264 176.300 -0.112 0.000 1.103 408 R CA 1.328 57.299 56.100 -0.215 0.000 0.983 408 R CB -0.264 29.900 30.300 -0.227 0.000 0.874 408 R HN 0.534 nan 8.270 nan 0.000 0.451 409 K N 0.744 121.023 120.400 -0.201 0.000 2.076 409 K HA 0.019 4.341 4.320 0.003 0.000 0.204 409 K C 2.140 178.531 176.600 -0.349 0.000 1.051 409 K CA 0.875 56.918 56.287 -0.406 0.000 0.949 409 K CB -0.028 32.048 32.500 -0.706 0.000 0.726 409 K HN 0.080 nan 8.250 nan 0.000 0.443 410 I N 1.392 121.863 120.570 -0.164 0.000 2.099 410 I HA -0.355 3.816 4.170 0.003 0.000 0.239 410 I C 2.709 178.955 176.117 0.216 0.000 1.066 410 I CA 1.429 62.793 61.300 0.106 0.000 1.324 410 I CB -0.308 37.788 38.000 0.160 0.000 1.037 410 I HN 0.279 nan 8.210 nan 0.000 0.401 411 Q N 0.543 120.422 119.800 0.132 0.000 2.156 411 Q HA -0.265 4.077 4.340 0.003 0.000 0.211 411 Q C 2.394 178.505 176.000 0.186 0.000 0.995 411 Q CA 1.914 57.809 55.803 0.153 0.000 0.877 411 Q CB 0.019 28.842 28.738 0.143 0.000 0.920 411 Q HN 0.438 nan 8.270 nan 0.000 0.416 412 R N -0.873 119.741 120.500 0.189 0.000 2.073 412 R HA -0.100 4.242 4.340 0.003 0.000 0.229 412 R C 2.158 178.645 176.300 0.312 0.000 1.120 412 R CA 0.974 57.241 56.100 0.279 0.000 0.967 412 R CB -0.644 29.846 30.300 0.317 0.000 0.862 412 R HN 0.263 nan 8.270 nan 0.000 0.436 413 F N 2.067 122.053 119.950 0.060 0.000 2.307 413 F HA -0.067 4.462 4.527 0.004 0.000 0.301 413 F C 1.771 177.701 175.800 0.217 0.000 1.076 413 F CA 0.900 58.894 58.000 -0.009 0.000 1.383 413 F CB -0.233 38.499 39.000 -0.447 0.000 1.055 413 F HN -0.089 nan 8.300 nan 0.000 0.526 414 L N -0.386 121.025 121.223 0.314 0.000 2.552 414 L HA -0.009 4.333 4.340 0.003 0.000 0.227 414 L C 1.352 178.273 176.870 0.084 0.000 1.146 414 L CA 0.318 55.286 54.840 0.214 0.000 0.858 414 L CB -0.636 41.510 42.059 0.144 0.000 0.969 414 L HN 0.122 nan 8.230 nan 0.000 0.451 415 S N -0.687 115.066 115.700 0.089 0.000 2.669 415 S HA 0.524 4.996 4.470 0.003 0.000 0.270 415 S C -0.393 174.189 174.600 -0.030 0.000 1.225 415 S CA -0.548 57.666 58.200 0.023 0.000 0.991 415 S CB 2.136 65.345 63.200 0.015 0.000 0.987 415 S HN 0.237 nan 8.310 nan 0.000 0.552 416 Q N -0.161 119.586 119.800 -0.088 0.000 2.617 416 Q HA 0.323 4.665 4.340 0.003 0.000 0.270 416 Q C -3.272 172.666 176.000 -0.104 0.000 0.967 416 Q CA -1.552 54.219 55.803 -0.053 0.000 0.887 416 Q CB 2.001 30.772 28.738 0.055 0.000 1.516 416 Q HN 0.546 nan 8.270 nan 0.000 0.395 417 P HA 0.246 nan 4.420 nan 0.000 0.282 417 P C -1.056 176.374 177.300 0.218 0.000 1.262 417 P CA -0.040 63.057 63.100 -0.004 0.000 0.773 417 P CB 0.154 31.869 31.700 0.024 0.000 0.879 418 F N 1.977 121.921 119.950 -0.009 0.000 2.399 418 F HA 0.272 4.802 4.527 0.003 0.000 0.334 418 F C 1.949 177.762 175.800 0.022 0.000 1.097 418 F CA -0.884 57.120 58.000 0.006 0.000 1.076 418 F CB 1.082 40.086 39.000 0.006 0.000 1.162 418 F HN 0.335 nan 8.300 nan 0.000 0.495 419 Q N 1.288 121.198 119.800 0.183 0.000 2.291 419 Q HA -0.068 4.274 4.340 0.003 0.000 0.205 419 Q C 1.928 178.003 176.000 0.125 0.000 0.970 419 Q CA 0.788 56.658 55.803 0.112 0.000 0.876 419 Q CB -0.070 28.700 28.738 0.052 0.000 0.935 419 Q HN 0.537 nan 8.270 nan 0.000 0.455 420 V N 0.487 120.487 119.914 0.143 0.000 2.515 420 V HA -0.140 3.982 4.120 0.003 0.000 0.250 420 V C 1.196 177.398 176.094 0.180 0.000 1.058 420 V CA 1.417 63.799 62.300 0.136 0.000 1.064 420 V CB -0.386 31.504 31.823 0.112 0.000 0.675 420 V HN 0.300 nan 8.190 nan 0.000 0.461 421 A N -0.560 122.374 122.820 0.190 0.000 3.245 421 A HA 0.388 4.710 4.320 0.003 0.000 0.282 421 A C 1.122 178.842 177.584 0.227 0.000 1.417 421 A CA -0.205 51.941 52.037 0.181 0.000 1.149 421 A CB -0.176 18.831 19.000 0.013 0.000 1.155 421 A HN 0.507 nan 8.150 nan 0.000 0.602 422 E N -0.415 119.928 120.200 0.239 0.000 2.332 422 E HA -0.004 4.348 4.350 0.003 0.000 0.202 422 E C 1.303 177.984 176.600 0.134 0.000 0.877 422 E CA 0.430 56.927 56.400 0.162 0.000 0.979 422 E CB 0.389 30.154 29.700 0.108 0.000 0.969 422 E HN 0.436 nan 8.360 nan 0.000 0.495 423 V N 1.081 121.075 119.914 0.133 0.000 2.982 423 V HA -0.201 3.921 4.120 0.003 0.000 0.265 423 V C 1.220 177.174 176.094 -0.234 0.000 1.122 423 V CA 1.618 63.864 62.300 -0.090 0.000 1.143 423 V CB -0.526 31.148 31.823 -0.249 0.000 0.726 423 V HN 0.199 nan 8.190 nan 0.000 0.507 424 F N -0.367 119.593 119.950 0.017 0.000 2.531 424 F HA 0.079 4.607 4.527 0.003 0.000 0.273 424 F C 2.463 178.281 175.800 0.029 0.000 0.960 424 F CA 0.872 58.880 58.000 0.013 0.000 1.207 424 F CB -1.018 37.980 39.000 -0.002 0.000 1.012 424 F HN 0.086 nan 8.300 nan 0.000 0.738 425 T N -2.010 112.704 114.554 0.267 0.000 3.160 425 T HA 0.243 4.595 4.350 0.003 0.000 0.257 425 T C 1.852 176.762 174.700 0.351 0.000 1.147 425 T CA 0.678 62.908 62.100 0.217 0.000 1.064 425 T CB -0.707 68.223 68.868 0.103 0.000 0.949 425 T HN 0.562 nan 8.240 nan 0.000 0.526 426 G N 1.018 109.930 108.800 0.186 0.000 2.200 426 G HA2 -0.265 3.697 3.960 0.003 0.000 0.267 426 G HA3 -0.265 3.697 3.960 0.003 0.000 0.267 426 G C -0.132 174.694 174.900 -0.123 0.000 0.993 426 G CA 0.771 45.896 45.100 0.041 0.000 0.701 426 G HN 0.781 nan 8.290 nan 0.000 0.524 427 H N -1.980 117.104 119.070 0.025 0.000 2.731 427 H HA 0.678 5.235 4.556 0.003 0.000 0.368 427 H C -0.194 175.149 175.328 0.025 0.000 1.168 427 H CA -1.069 54.989 56.048 0.016 0.000 1.181 427 H CB 1.466 31.229 29.762 0.002 0.000 1.743 427 H HN 0.130 nan 8.280 nan 0.000 0.547 428 L N 1.637 122.934 121.223 0.123 0.000 2.319 428 L HA 0.379 4.721 4.340 0.003 0.000 0.280 428 L C 0.854 177.781 176.870 0.094 0.000 1.099 428 L CA 0.183 55.072 54.840 0.081 0.000 0.828 428 L CB 0.498 42.584 42.059 0.046 0.000 1.150 428 L HN 0.850 nan 8.230 nan 0.000 0.442 429 G N 4.024 112.879 108.800 0.092 0.000 2.491 429 G HA2 0.302 4.264 3.960 0.003 0.000 0.242 429 G HA3 0.302 4.264 3.960 0.003 0.000 0.242 429 G C -0.497 174.451 174.900 0.080 0.000 1.266 429 G CA -0.508 44.656 45.100 0.107 0.000 0.844 429 G HN 0.447 nan 8.290 nan 0.000 0.571 430 K N 1.039 121.495 120.400 0.093 0.000 2.345 430 K HA 0.304 4.626 4.320 0.003 0.000 0.255 430 K C -0.960 175.670 176.600 0.050 0.000 0.934 430 K CA -1.025 55.301 56.287 0.065 0.000 0.801 430 K CB 2.248 34.789 32.500 0.068 0.000 1.137 430 K HN 0.325 nan 8.250 nan 0.000 0.424 431 L N 3.949 125.181 121.223 0.015 0.000 2.603 431 L HA 0.258 4.600 4.340 0.003 0.000 0.242 431 L C -0.883 175.981 176.870 -0.011 0.000 1.169 431 L CA -0.742 54.089 54.840 -0.016 0.000 1.029 431 L CB 0.398 42.431 42.059 -0.043 0.000 1.361 431 L HN 0.242 nan 8.230 nan 0.000 0.439 432 V N 4.653 124.569 119.914 0.004 0.000 2.694 432 V HA 0.152 4.273 4.120 0.003 0.000 0.306 432 V C -1.658 174.432 176.094 -0.007 0.000 1.054 432 V CA -0.548 61.756 62.300 0.008 0.000 1.161 432 V CB 0.041 31.870 31.823 0.010 0.000 0.916 432 V HN 0.626 nan 8.190 nan 0.000 0.490 433 P HA 0.198 nan 4.420 nan 0.000 0.281 433 P C 0.577 177.875 177.300 -0.004 0.000 1.249 433 P CA -0.636 62.459 63.100 -0.009 0.000 0.810 433 P CB 0.971 32.669 31.700 -0.004 0.000 1.008 434 L N 2.819 124.034 121.223 -0.012 0.000 2.043 434 L HA -0.209 4.133 4.340 0.003 0.000 0.212 434 L C 2.067 178.914 176.870 -0.039 0.000 1.075 434 L CA 2.081 56.902 54.840 -0.032 0.000 0.752 434 L CB -1.000 41.049 42.059 -0.018 0.000 0.891 434 L HN 0.334 nan 8.230 nan 0.000 0.432 435 K N -0.977 119.418 120.400 -0.009 0.000 2.057 435 K HA -0.154 4.168 4.320 0.003 0.000 0.207 435 K C 1.959 178.579 176.600 0.033 0.000 1.049 435 K CA 1.342 57.633 56.287 0.007 0.000 0.931 435 K CB -0.056 32.454 32.500 0.017 0.000 0.714 435 K HN 0.303 nan 8.250 nan 0.000 0.440 436 E N 0.047 120.273 120.200 0.043 0.000 2.150 436 E HA -0.092 4.260 4.350 0.003 0.000 0.193 436 E C 1.986 178.661 176.600 0.125 0.000 0.985 436 E CA 1.066 57.513 56.400 0.079 0.000 0.814 436 E CB -0.300 29.441 29.700 0.068 0.000 0.752 436 E HN 0.246 nan 8.360 nan 0.000 0.466 437 T N 2.154 116.761 114.554 0.088 0.000 2.668 437 T HA -0.091 4.261 4.350 0.003 0.000 0.262 437 T C 1.928 176.752 174.700 0.207 0.000 1.045 437 T CA 1.195 63.372 62.100 0.128 0.000 1.152 437 T CB -0.099 68.778 68.868 0.016 0.000 0.864 437 T HN 0.081 nan 8.240 nan 0.000 0.419 438 I N 1.257 121.863 120.570 0.060 0.000 2.286 438 I HA -0.091 4.081 4.170 0.003 0.000 0.248 438 I C 2.184 178.391 176.117 0.149 0.000 1.115 438 I CA 1.425 62.758 61.300 0.056 0.000 1.392 438 I CB -1.228 36.738 38.000 -0.058 0.000 1.065 438 I HN 0.240 nan 8.210 nan 0.000 0.418 439 K N 1.294 121.775 120.400 0.135 0.000 2.002 439 K HA -0.075 4.247 4.320 0.003 0.000 0.209 439 K C 2.287 179.006 176.600 0.197 0.000 1.048 439 K CA 1.468 57.840 56.287 0.141 0.000 0.930 439 K CB -0.709 31.861 32.500 0.117 0.000 0.714 439 K HN 0.417 nan 8.250 nan 0.000 0.438 440 G N 1.115 110.070 108.800 0.258 0.000 2.764 440 G HA2 -0.298 3.664 3.960 0.003 0.000 0.219 440 G HA3 -0.298 3.664 3.960 0.003 0.000 0.219 440 G C 1.275 176.311 174.900 0.226 0.000 1.259 440 G CA 1.439 46.730 45.100 0.317 0.000 0.793 440 G HN 0.211 nan 8.290 nan 0.000 0.633 441 F N 1.085 121.258 119.950 0.372 0.000 2.202 441 F HA -0.080 4.449 4.527 0.003 0.000 0.301 441 F C 2.913 178.787 175.800 0.124 0.000 1.082 441 F CA 1.678 59.816 58.000 0.230 0.000 1.313 441 F CB -0.473 38.611 39.000 0.141 0.000 1.024 441 F HN 0.260 nan 8.300 nan 0.000 0.495 442 Q N 0.481 120.436 119.800 0.258 0.000 2.045 442 Q HA -0.302 4.040 4.340 0.003 0.000 0.206 442 Q C 2.172 178.233 176.000 0.100 0.000 0.991 442 Q CA 2.343 58.235 55.803 0.149 0.000 0.851 442 Q CB -0.204 28.606 28.738 0.119 0.000 0.911 442 Q HN 0.484 nan 8.270 nan 0.000 0.418 443 Q N -0.278 119.583 119.800 0.102 0.000 2.084 443 Q HA -0.158 4.184 4.340 0.003 0.000 0.202 443 Q C 2.149 178.157 176.000 0.014 0.000 0.978 443 Q CA 1.473 57.299 55.803 0.038 0.000 0.844 443 Q CB -0.083 28.730 28.738 0.125 0.000 0.898 443 Q HN 0.477 nan 8.270 nan 0.000 0.426 444 I N 0.787 121.402 120.570 0.075 0.000 2.208 444 I HA -0.269 3.903 4.170 0.003 0.000 0.245 444 I C 2.284 178.398 176.117 -0.005 0.000 1.097 444 I CA 1.420 62.724 61.300 0.008 0.000 1.363 444 I CB -1.140 36.787 38.000 -0.122 0.000 1.051 444 I HN 0.283 nan 8.210 nan 0.000 0.413 445 L N 0.931 122.179 121.223 0.041 0.000 2.017 445 L HA -0.197 4.145 4.340 0.003 0.000 0.208 445 L C 2.943 179.816 176.870 0.005 0.000 1.073 445 L CA 1.485 56.346 54.840 0.034 0.000 0.745 445 L CB -0.822 41.275 42.059 0.064 0.000 0.894 445 L HN 0.207 nan 8.230 nan 0.000 0.432 446 A N -0.332 122.488 122.820 -0.001 0.000 1.917 446 A HA -0.134 4.188 4.320 0.003 0.000 0.219 446 A C 1.906 179.461 177.584 -0.048 0.000 1.182 446 A CA 2.074 54.096 52.037 -0.025 0.000 0.633 446 A CB -0.820 18.155 19.000 -0.041 0.000 0.819 446 A HN 0.657 nan 8.150 nan 0.000 0.448 447 G N -2.009 106.748 108.800 -0.071 0.000 2.168 447 G HA2 -0.188 3.774 3.960 0.003 0.000 0.197 447 G HA3 -0.188 3.774 3.960 0.003 0.000 0.197 447 G C 0.468 175.286 174.900 -0.136 0.000 0.997 447 G CA 0.642 45.697 45.100 -0.073 0.000 0.658 447 G HN 0.522 nan 8.290 nan 0.000 0.513 448 E N -0.871 119.164 120.200 -0.276 0.000 2.204 448 E HA -0.055 4.297 4.350 0.003 0.000 0.195 448 E C 0.834 177.003 176.600 -0.718 0.000 0.990 448 E CA 1.170 57.250 56.400 -0.533 0.000 0.821 448 E CB -0.074 29.156 29.700 -0.783 0.000 0.750 448 E HN 0.728 nan 8.360 nan 0.000 0.477 449 Y N -0.241 120.007 120.300 -0.087 0.000 2.720 449 Y HA 0.159 4.711 4.550 0.003 0.000 0.268 449 Y C 0.932 176.671 175.900 -0.269 0.000 1.142 449 Y CA -0.641 57.299 58.100 -0.268 0.000 1.193 449 Y CB 0.376 38.791 38.460 -0.075 0.000 1.176 449 Y HN -0.115 nan 8.280 nan 0.000 0.542 450 D N 0.424 120.785 120.400 -0.066 0.000 2.221 450 D HA -0.196 4.446 4.640 0.003 0.000 0.204 450 D C 2.064 178.370 176.300 0.010 0.000 0.982 450 D CA 1.550 55.546 54.000 -0.008 0.000 0.857 450 D CB 0.027 40.835 40.800 0.014 0.000 0.934 450 D HN 0.633 nan 8.370 nan 0.000 0.475 451 H N -0.413 118.704 119.070 0.078 0.000 2.395 451 H HA 0.031 4.589 4.556 0.003 0.000 0.299 451 H C 1.352 176.726 175.328 0.077 0.000 1.070 451 H CA 0.058 56.142 56.048 0.059 0.000 1.356 451 H CB -0.585 29.199 29.762 0.036 0.000 1.401 451 H HN 0.098 nan 8.280 nan 0.000 0.524 452 L N 2.868 123.876 121.223 -0.359 0.000 2.503 452 L HA 0.057 4.398 4.340 0.003 0.000 0.287 452 L C -1.981 174.899 176.870 0.018 0.000 1.252 452 L CA -1.177 53.573 54.840 -0.150 0.000 0.835 452 L CB 0.261 42.173 42.059 -0.245 0.000 1.099 452 L HN 0.231 nan 8.230 nan 0.000 0.516 453 P HA 0.246 nan 4.420 nan 0.000 0.290 453 P C -0.131 177.237 177.300 0.112 0.000 1.283 453 P CA -0.707 62.417 63.100 0.039 0.000 0.869 453 P CB 1.155 32.850 31.700 -0.008 0.000 1.100 454 E N 0.578 120.887 120.200 0.183 0.000 2.037 454 E HA -0.282 4.070 4.350 0.003 0.000 0.214 454 E C 1.620 178.373 176.600 0.256 0.000 1.041 454 E CA 1.450 58.010 56.400 0.266 0.000 0.872 454 E CB -0.433 29.336 29.700 0.116 0.000 0.785 454 E HN 0.503 nan 8.360 nan 0.000 0.476 455 Q N -0.407 119.454 119.800 0.101 0.000 2.528 455 Q HA -0.160 4.182 4.340 0.003 0.000 0.217 455 Q C 1.815 177.828 176.000 0.023 0.000 0.988 455 Q CA 0.983 56.832 55.803 0.076 0.000 0.900 455 Q CB -0.162 28.589 28.738 0.020 0.000 0.947 455 Q HN 0.319 nan 8.270 nan 0.000 0.502 456 A N -0.820 121.914 122.820 -0.143 0.000 2.014 456 A HA -0.074 4.247 4.320 0.003 0.000 0.218 456 A C 1.387 178.722 177.584 -0.416 0.000 1.163 456 A CA 0.661 52.467 52.037 -0.385 0.000 0.652 456 A CB -0.352 18.214 19.000 -0.723 0.000 0.808 456 A HN 0.305 nan 8.150 nan 0.000 0.449 457 F N -2.588 117.348 119.950 -0.022 0.000 2.754 457 F HA 0.204 4.733 4.527 0.003 0.000 0.297 457 F C 0.764 176.646 175.800 0.138 0.000 1.122 457 F CA -0.562 57.439 58.000 0.002 0.000 1.400 457 F CB -0.401 38.579 39.000 -0.034 0.000 1.117 457 F HN 0.239 nan 8.300 nan 0.000 0.587 458 Y N 2.449 122.851 120.300 0.170 0.000 2.544 458 Y HA 0.178 4.730 4.550 0.003 0.000 0.330 458 Y C 0.710 176.657 175.900 0.078 0.000 1.136 458 Y CA -1.211 56.961 58.100 0.120 0.000 1.417 458 Y CB 0.134 38.639 38.460 0.075 0.000 1.229 458 Y HN 0.035 nan 8.280 nan 0.000 0.532 459 M N 6.221 125.569 119.600 -0.421 0.000 3.241 459 M HA -0.166 4.316 4.480 0.003 0.000 0.169 459 M C -1.072 175.156 176.300 -0.120 0.000 1.333 459 M CA 1.079 56.148 55.300 -0.385 0.000 0.838 459 M CB -2.586 29.613 32.600 -0.669 0.000 1.258 459 M HN 0.492 nan 8.290 nan 0.000 0.656 460 V N -1.826 118.088 119.914 0.000 0.000 3.165 460 V HA 1.091 5.213 4.120 0.003 0.000 0.309 460 V C 0.470 176.622 176.094 0.096 0.000 1.267 460 V CA -0.089 62.245 62.300 0.057 0.000 1.067 460 V CB 1.682 33.551 31.823 0.077 0.000 1.082 460 V HN 0.506 nan 8.190 nan 0.000 0.451 461 G N -0.233 108.628 108.800 0.103 0.000 2.992 461 G HA2 0.545 4.507 3.960 0.003 0.000 0.201 461 G HA3 0.545 4.507 3.960 0.003 0.000 0.201 461 G C -2.567 172.446 174.900 0.189 0.000 2.057 461 G CA -0.500 44.662 45.100 0.103 0.000 0.800 461 G HN 0.692 nan 8.290 nan 0.000 0.700 462 P HA 0.245 nan 4.420 nan 0.000 0.275 462 P C 0.774 178.164 177.300 0.150 0.000 1.228 462 P CA -0.595 62.616 63.100 0.184 0.000 0.786 462 P CB 1.429 33.185 31.700 0.093 0.000 0.927 463 I N 1.923 122.559 120.570 0.109 0.000 2.290 463 I HA -0.350 3.821 4.170 0.003 0.000 0.253 463 I C 1.638 177.595 176.117 -0.268 0.000 1.112 463 I CA 1.948 63.078 61.300 -0.283 0.000 1.377 463 I CB -0.265 37.514 38.000 -0.369 0.000 1.060 463 I HN 0.362 nan 8.210 nan 0.000 0.428 464 E N 0.571 120.702 120.200 -0.116 0.000 2.130 464 E HA -0.260 4.092 4.350 0.003 0.000 0.196 464 E C 2.038 178.566 176.600 -0.120 0.000 0.998 464 E CA 1.760 58.100 56.400 -0.100 0.000 0.806 464 E CB -0.269 29.411 29.700 -0.033 0.000 0.738 464 E HN 0.634 nan 8.360 nan 0.000 0.459 465 E N -0.031 120.114 120.200 -0.091 0.000 2.208 465 E HA -0.059 4.293 4.350 0.003 0.000 0.193 465 E C 1.984 178.485 176.600 -0.164 0.000 0.988 465 E CA 0.701 57.052 56.400 -0.083 0.000 0.828 465 E CB -0.066 29.623 29.700 -0.018 0.000 0.763 465 E HN 0.280 nan 8.360 nan 0.000 0.478 466 A N 1.278 123.935 122.820 -0.272 0.000 1.969 466 A HA -0.103 4.219 4.320 0.003 0.000 0.218 466 A C 2.482 179.757 177.584 -0.514 0.000 1.169 466 A CA 0.920 52.667 52.037 -0.484 0.000 0.635 466 A CB -0.400 18.183 19.000 -0.694 0.000 0.810 466 A HN 0.105 nan 8.150 nan 0.000 0.445 467 V N -0.312 119.367 119.914 -0.391 0.000 2.283 467 V HA -0.152 3.969 4.120 0.003 0.000 0.243 467 V C 2.992 178.986 176.094 -0.166 0.000 1.039 467 V CA 1.750 63.890 62.300 -0.267 0.000 1.016 467 V CB -1.446 30.272 31.823 -0.176 0.000 0.650 467 V HN 0.542 nan 8.190 nan 0.000 0.449 468 A N -0.304 122.436 122.820 -0.134 0.000 1.933 468 A HA -0.233 4.089 4.320 0.003 0.000 0.218 468 A C 2.359 179.888 177.584 -0.091 0.000 1.175 468 A CA 2.064 54.049 52.037 -0.087 0.000 0.628 468 A CB -0.513 18.450 19.000 -0.063 0.000 0.814 468 A HN 0.485 nan 8.150 nan 0.000 0.444 469 K N -0.402 119.926 120.400 -0.121 0.000 2.147 469 K HA -0.084 4.237 4.320 0.003 0.000 0.205 469 K C 2.162 178.695 176.600 -0.113 0.000 1.049 469 K CA 1.008 57.233 56.287 -0.103 0.000 0.936 469 K CB -0.270 32.157 32.500 -0.122 0.000 0.722 469 K HN 0.419 nan 8.250 nan 0.000 0.446 470 A N 1.470 124.191 122.820 -0.165 0.000 1.902 470 A HA -0.204 4.118 4.320 0.003 0.000 0.217 470 A C 1.611 179.150 177.584 -0.074 0.000 1.181 470 A CA 2.023 53.975 52.037 -0.142 0.000 0.623 470 A CB -0.521 18.371 19.000 -0.180 0.000 0.818 470 A HN 0.302 nan 8.150 nan 0.000 0.443 471 D N -0.196 120.166 120.400 -0.063 0.000 2.092 471 D HA -0.120 4.521 4.640 0.003 0.000 0.193 471 D C 1.838 178.121 176.300 -0.030 0.000 0.994 471 D CA 1.515 55.493 54.000 -0.036 0.000 0.828 471 D CB -0.225 40.555 40.800 -0.033 0.000 0.963 471 D HN 0.472 nan 8.370 nan 0.000 0.450 472 K N -0.228 120.152 120.400 -0.033 0.000 2.442 472 K HA 0.076 4.398 4.320 0.003 0.000 0.198 472 K C 0.974 177.563 176.600 -0.020 0.000 1.042 472 K CA 0.358 56.632 56.287 -0.022 0.000 0.958 472 K CB 0.263 32.753 32.500 -0.018 0.000 0.766 472 K HN 0.170 nan 8.250 nan 0.000 0.474 473 L N 0.731 121.937 121.223 -0.029 0.000 2.928 473 L HA 0.303 4.645 4.340 0.003 0.000 0.246 473 L C 0.154 177.012 176.870 -0.019 0.000 1.239 473 L CA -0.511 54.315 54.840 -0.024 0.000 1.035 473 L CB -0.893 41.146 42.059 -0.033 0.000 1.360 473 L HN 0.138 nan 8.230 nan 0.000 0.529 474 A N 0.000 122.810 122.820 -0.017 0.000 2.254 474 A HA 0.000 4.322 4.320 0.003 0.000 0.244 474 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486