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 1w0k_1_D 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 KADKLAE 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 0.000 174.819 174.700 0.199 0.000 1.109 9 T CA 0.000 62.177 62.100 0.129 0.000 1.349 9 T CB 0.000 68.946 68.868 0.130 0.000 0.612 10 T N 3.810 118.436 114.554 0.120 0.000 2.797 10 T HA 0.743 5.093 4.350 -0.000 0.000 0.279 10 T C 0.646 175.202 174.700 -0.240 0.000 0.991 10 T CA -0.486 61.614 62.100 0.001 0.000 0.979 10 T CB 1.620 70.468 68.868 -0.033 0.000 0.943 10 T HN 0.898 nan 8.240 nan 0.000 0.444 11 G N 1.835 110.233 108.800 -0.670 0.000 2.509 11 G HA2 0.726 4.686 3.960 -0.000 0.000 0.328 11 G HA3 0.726 4.686 3.960 -0.000 0.000 0.328 11 G C -0.948 173.624 174.900 -0.547 0.000 1.194 11 G CA -0.946 43.459 45.100 -1.157 0.000 0.967 11 G HN 0.579 nan 8.290 nan 0.000 0.488 12 R N -0.567 119.676 120.500 -0.428 0.000 2.621 12 R HA 0.379 4.719 4.340 -0.000 0.000 0.292 12 R C -0.365 175.826 176.300 -0.181 0.000 0.969 12 R CA -0.710 55.251 56.100 -0.232 0.000 0.887 12 R CB 2.399 32.603 30.300 -0.159 0.000 1.180 12 R HN 0.413 nan 8.270 nan 0.000 0.450 13 I N 3.121 123.617 120.570 -0.122 0.000 2.683 13 I HA -0.099 4.071 4.170 -0.000 0.000 0.286 13 I C 1.411 177.491 176.117 -0.061 0.000 1.175 13 I CA 0.286 61.541 61.300 -0.076 0.000 1.429 13 I CB 0.819 38.788 38.000 -0.052 0.000 1.371 13 I HN 0.572 nan 8.210 nan 0.000 0.569 14 V N 2.991 122.877 119.914 -0.045 0.000 3.635 14 V HA 0.616 4.736 4.120 -0.000 0.000 0.266 14 V C 0.516 176.598 176.094 -0.021 0.000 1.316 14 V CA 0.419 62.699 62.300 -0.033 0.000 1.060 14 V CB 0.152 31.957 31.823 -0.030 0.000 0.820 14 V HN 0.733 nan 8.190 nan 0.000 0.447 15 A N -0.150 122.660 122.820 -0.016 0.000 2.566 15 A HA 0.790 5.110 4.320 -0.000 0.000 0.297 15 A C -1.256 176.323 177.584 -0.007 0.000 1.059 15 A CA -0.296 51.735 52.037 -0.010 0.000 0.691 15 A CB 2.133 21.130 19.000 -0.005 0.000 1.282 15 A HN 0.677 nan 8.150 nan 0.000 0.401 16 V N 2.986 122.896 119.914 -0.006 0.000 2.445 16 V HA 0.388 4.508 4.120 -0.000 0.000 0.283 16 V C -0.767 175.325 176.094 -0.004 0.000 1.014 16 V CA 0.011 62.308 62.300 -0.005 0.000 0.852 16 V CB 0.874 32.693 31.823 -0.006 0.000 1.021 16 V HN 0.695 nan 8.190 nan 0.000 0.435 17 I N 4.458 125.027 120.570 -0.002 0.000 2.428 17 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 17 I C 1.186 177.302 176.117 -0.003 0.000 1.040 17 I CA -0.007 61.291 61.300 -0.003 0.000 1.171 17 I CB 0.993 38.992 38.000 -0.002 0.000 1.312 17 I HN 0.794 nan 8.210 nan 0.000 0.470 18 G N 4.998 113.796 108.800 -0.003 0.000 2.561 18 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.289 18 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.289 18 G C 0.870 175.768 174.900 -0.003 0.000 1.169 18 G CA 0.422 45.520 45.100 -0.004 0.000 0.980 18 G HN 0.753 nan 8.290 nan 0.000 0.550 19 A N -0.651 122.167 122.820 -0.004 0.000 2.167 19 A HA 0.544 4.864 4.320 -0.000 0.000 0.214 19 A C 1.121 178.705 177.584 0.001 0.000 1.151 19 A CA 1.821 53.856 52.037 -0.003 0.000 0.735 19 A CB -0.022 18.974 19.000 -0.007 0.000 0.802 19 A HN 1.427 nan 8.150 nan 0.000 0.467 20 V N 1.246 121.160 119.914 0.001 0.000 2.370 20 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 20 V C -0.620 175.478 176.094 0.007 0.000 1.029 20 V CA -0.362 61.940 62.300 0.005 0.000 0.870 20 V CB 1.378 33.203 31.823 0.003 0.000 0.984 20 V HN 0.105 nan 8.190 nan 0.000 0.451 21 V N 4.209 124.131 119.914 0.013 0.000 2.409 21 V HA 0.443 4.563 4.120 -0.000 0.000 0.291 21 V C -0.588 175.519 176.094 0.021 0.000 1.020 21 V CA -0.892 61.416 62.300 0.013 0.000 0.848 21 V CB 1.905 33.735 31.823 0.012 0.000 0.990 21 V HN 0.754 nan 8.190 nan 0.000 0.430 22 D N 3.602 124.010 120.400 0.014 0.000 2.277 22 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 22 D C -0.361 175.944 176.300 0.009 0.000 1.134 22 D CA 0.107 54.118 54.000 0.019 0.000 0.863 22 D CB 1.977 42.783 40.800 0.011 0.000 1.143 22 D HN 0.291 nan 8.370 nan 0.000 0.458 23 V N 2.421 122.353 119.914 0.031 0.000 2.604 23 V HA 0.348 4.468 4.120 -0.000 0.000 0.305 23 V C -0.074 176.023 176.094 0.005 0.000 1.043 23 V CA -0.933 61.359 62.300 -0.013 0.000 0.888 23 V CB 2.055 33.884 31.823 0.010 0.000 0.995 23 V HN 0.386 nan 8.190 nan 0.000 0.429 24 Q N 2.363 122.095 119.800 -0.114 0.000 2.282 24 Q HA 0.639 4.979 4.340 -0.000 0.000 0.260 24 Q C -2.016 173.858 176.000 -0.210 0.000 0.964 24 Q CA -0.522 55.244 55.803 -0.062 0.000 0.880 24 Q CB 1.710 30.415 28.738 -0.055 0.000 1.286 24 Q HN 0.654 nan 8.270 nan 0.000 0.445 25 F N 2.224 122.141 119.950 -0.054 0.000 2.493 25 F HA 0.213 4.740 4.527 -0.000 0.000 0.329 25 F C 0.720 176.495 175.800 -0.043 0.000 1.126 25 F CA -0.667 57.303 58.000 -0.050 0.000 0.937 25 F CB 1.724 40.686 39.000 -0.064 0.000 1.146 25 F HN 0.639 nan 8.300 nan 0.000 0.442 26 D N 1.630 122.089 120.400 0.098 0.000 2.117 26 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 26 D C 0.070 176.409 176.300 0.065 0.000 0.987 26 D CA 1.636 55.669 54.000 0.055 0.000 0.829 26 D CB 0.188 41.002 40.800 0.023 0.000 0.961 26 D HN 0.641 nan 8.370 nan 0.000 0.460 27 E N -1.959 118.297 120.200 0.092 0.000 2.366 27 E HA 0.570 4.920 4.350 -0.000 0.000 0.278 27 E C -0.202 176.429 176.600 0.051 0.000 0.923 27 E CA -1.044 55.389 56.400 0.056 0.000 0.761 27 E CB 1.497 31.219 29.700 0.036 0.000 1.231 27 E HN 0.007 nan 8.360 nan 0.000 0.443 28 G N 1.564 110.364 108.800 0.001 0.000 2.686 28 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.211 28 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.211 28 G C -0.898 173.914 174.900 -0.147 0.000 0.829 28 G CA -0.558 44.514 45.100 -0.048 0.000 0.993 28 G HN 0.330 nan 8.290 nan 0.000 0.330 29 L N 5.653 126.764 121.223 -0.187 0.000 2.319 29 L HA 0.493 4.833 4.340 -0.000 0.000 0.280 29 L C -1.073 175.597 176.870 -0.333 0.000 1.099 29 L CA -1.791 52.828 54.840 -0.367 0.000 0.828 29 L CB 0.754 42.593 42.059 -0.365 0.000 1.150 29 L HN 0.446 nan 8.230 nan 0.000 0.442 30 P HA 0.176 nan 4.420 nan 0.000 0.271 30 P C -2.681 174.622 177.300 0.006 0.000 1.226 30 P CA -1.147 61.787 63.100 -0.278 0.000 0.765 30 P CB 0.076 31.537 31.700 -0.398 0.000 0.835 31 P HA 0.156 nan 4.420 nan 0.000 0.273 31 P C 0.439 177.724 177.300 -0.026 0.000 1.250 31 P CA -0.284 62.834 63.100 0.030 0.000 0.793 31 P CB 0.753 32.427 31.700 -0.044 0.000 1.011 32 I N 1.249 121.708 120.570 -0.186 0.000 2.815 32 I HA -0.132 4.038 4.170 -0.000 0.000 0.291 32 I C 1.599 177.633 176.117 -0.138 0.000 1.209 32 I CA 0.796 62.001 61.300 -0.158 0.000 1.431 32 I CB -0.361 37.508 38.000 -0.217 0.000 1.351 32 I HN 0.419 nan 8.210 nan 0.000 0.585 33 L N 2.323 123.463 121.223 -0.138 0.000 3.853 33 L HA -0.243 4.097 4.340 -0.000 0.000 0.416 33 L C 0.525 177.325 176.870 -0.116 0.000 0.766 33 L CA 0.208 54.917 54.840 -0.219 0.000 2.383 33 L CB -1.564 40.270 42.059 -0.376 0.000 1.276 33 L HN 0.717 nan 8.230 nan 0.000 0.597 34 N N 0.678 119.342 118.700 -0.061 0.000 2.508 34 N HA 0.451 5.191 4.740 -0.000 0.000 0.264 34 N C 0.320 175.831 175.510 0.003 0.000 1.216 34 N CA 0.552 53.586 53.050 -0.026 0.000 0.943 34 N CB 0.912 39.378 38.487 -0.034 0.000 1.113 34 N HN 0.272 nan 8.380 nan 0.000 0.447 35 A N 3.066 125.896 122.820 0.017 0.000 2.301 35 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 35 A C -0.366 177.240 177.584 0.037 0.000 1.185 35 A CA -0.469 51.588 52.037 0.032 0.000 0.830 35 A CB 0.336 19.356 19.000 0.034 0.000 1.112 35 A HN 0.572 nan 8.150 nan 0.000 0.508 36 L N 2.330 123.585 121.223 0.054 0.000 2.346 36 L HA 0.454 4.794 4.340 -0.000 0.000 0.276 36 L C -0.375 176.530 176.870 0.058 0.000 1.006 36 L CA -0.741 54.145 54.840 0.078 0.000 0.817 36 L CB 1.910 44.048 42.059 0.132 0.000 1.272 36 L HN 0.647 nan 8.230 nan 0.000 0.421 37 E N 3.051 123.282 120.200 0.051 0.000 2.115 37 E HA 0.266 4.616 4.350 -0.000 0.000 0.282 37 E C -0.583 176.031 176.600 0.024 0.000 0.987 37 E CA -0.581 55.837 56.400 0.030 0.000 0.797 37 E CB 2.410 32.122 29.700 0.019 0.000 1.086 37 E HN 0.206 nan 8.360 nan 0.000 0.397 38 V N 4.054 123.977 119.914 0.015 0.000 2.572 38 V HA -0.056 4.064 4.120 -0.000 0.000 0.291 38 V C 0.675 176.767 176.094 -0.003 0.000 1.039 38 V CA -0.118 62.183 62.300 0.002 0.000 1.055 38 V CB 0.772 32.595 31.823 0.001 0.000 0.969 38 V HN 0.512 nan 8.190 nan 0.000 0.482 39 Q N 2.229 122.022 119.800 -0.012 0.000 2.260 39 Q HA 0.436 4.776 4.340 -0.000 0.000 0.238 39 Q C 0.866 176.859 176.000 -0.012 0.000 0.948 39 Q CA 0.348 56.143 55.803 -0.012 0.000 0.895 39 Q CB 1.147 29.874 28.738 -0.019 0.000 1.218 39 Q HN 1.153 nan 8.270 nan 0.000 0.470 40 G N 2.181 110.975 108.800 -0.010 0.000 2.381 40 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.281 40 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.281 40 G C -0.350 174.546 174.900 -0.007 0.000 0.984 40 G CA 0.263 45.357 45.100 -0.009 0.000 1.339 40 G HN 0.402 nan 8.290 nan 0.000 0.485 41 R N -0.077 120.421 120.500 -0.005 0.000 2.707 41 R HA 0.306 4.646 4.340 -0.000 0.000 0.272 41 R C 0.615 176.914 176.300 -0.001 0.000 1.011 41 R CA -1.023 55.075 56.100 -0.003 0.000 0.893 41 R CB 1.118 31.417 30.300 -0.002 0.000 1.233 41 R HN 0.179 nan 8.270 nan 0.000 0.464 42 E N 0.808 121.007 120.200 -0.001 0.000 2.005 42 E HA -0.094 4.256 4.350 -0.000 0.000 0.198 42 E C 0.700 177.301 176.600 0.001 0.000 1.010 42 E CA 1.827 58.227 56.400 -0.000 0.000 0.825 42 E CB -0.179 29.521 29.700 0.000 0.000 0.769 42 E HN 0.705 nan 8.360 nan 0.000 0.456 43 T N -1.005 113.550 114.554 0.002 0.000 2.944 43 T HA 0.442 4.791 4.350 -0.000 0.000 0.284 43 T C 0.366 175.069 174.700 0.005 0.000 1.010 43 T CA -0.861 61.242 62.100 0.004 0.000 1.025 43 T CB 2.014 70.885 68.868 0.005 0.000 1.079 43 T HN -0.069 nan 8.240 nan 0.000 0.516 44 R N 0.613 121.117 120.500 0.007 0.000 2.484 44 R HA 0.294 4.634 4.340 -0.000 0.000 0.293 44 R C -1.062 175.244 176.300 0.011 0.000 1.023 44 R CA -0.458 55.647 56.100 0.008 0.000 1.037 44 R CB -0.094 30.211 30.300 0.010 0.000 0.951 44 R HN 0.546 nan 8.270 nan 0.000 0.418 45 L N 5.726 126.956 121.223 0.011 0.000 2.325 45 L HA 0.373 4.713 4.340 -0.000 0.000 0.281 45 L C -1.295 175.586 176.870 0.018 0.000 1.004 45 L CA -0.506 54.342 54.840 0.013 0.000 0.823 45 L CB 1.941 44.005 42.059 0.010 0.000 1.236 45 L HN 0.294 nan 8.230 nan 0.000 0.415 46 V N 6.216 126.144 119.914 0.023 0.000 2.483 46 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 46 V C -0.134 175.980 176.094 0.034 0.000 1.035 46 V CA -0.583 61.734 62.300 0.030 0.000 0.896 46 V CB 1.674 33.516 31.823 0.032 0.000 0.986 46 V HN 0.609 nan 8.190 nan 0.000 0.447 47 L N 3.727 124.974 121.223 0.041 0.000 2.333 47 L HA 0.576 4.916 4.340 -0.000 0.000 0.280 47 L C 0.068 176.969 176.870 0.051 0.000 1.004 47 L CA -0.323 54.544 54.840 0.045 0.000 0.820 47 L CB 1.804 43.894 42.059 0.052 0.000 1.247 47 L HN 0.631 nan 8.230 nan 0.000 0.416 48 E N 2.739 122.968 120.200 0.047 0.000 2.167 48 E HA 0.257 4.607 4.350 -0.000 0.000 0.284 48 E C -0.856 175.764 176.600 0.034 0.000 1.016 48 E CA -0.750 55.676 56.400 0.044 0.000 0.817 48 E CB 1.624 31.360 29.700 0.060 0.000 1.080 48 E HN 0.343 nan 8.360 nan 0.000 0.397 49 V N 4.474 124.405 119.914 0.029 0.000 2.493 49 V HA -0.010 4.110 4.120 -0.000 0.000 0.292 49 V C 0.983 177.083 176.094 0.010 0.000 1.016 49 V CA 0.974 63.298 62.300 0.039 0.000 1.097 49 V CB 0.621 32.473 31.823 0.049 0.000 0.947 49 V HN 0.847 nan 8.190 nan 0.000 0.479 50 A N 4.326 127.161 122.820 0.026 0.000 2.026 50 A HA 0.321 4.641 4.320 -0.000 0.000 0.201 50 A C 0.757 178.343 177.584 0.002 0.000 1.318 50 A CA 0.224 52.261 52.037 0.000 0.000 0.857 50 A CB 0.395 19.398 19.000 0.006 0.000 0.939 50 A HN 0.724 nan 8.150 nan 0.000 0.476 51 Q N -0.794 119.038 119.800 0.054 0.000 2.377 51 Q HA 0.374 4.714 4.340 -0.000 0.000 0.279 51 Q C -1.747 174.385 176.000 0.220 0.000 1.049 51 Q CA -0.502 55.345 55.803 0.073 0.000 0.825 51 Q CB 2.111 30.879 28.738 0.051 0.000 1.401 51 Q HN 0.662 nan 8.270 nan 0.000 0.404 52 H N 2.727 121.791 119.070 -0.011 0.000 2.581 52 H HA 0.244 4.800 4.556 -0.000 0.000 0.308 52 H C 0.508 175.837 175.328 0.001 0.000 1.040 52 H CA -0.273 55.772 56.048 -0.006 0.000 1.231 52 H CB 1.094 30.845 29.762 -0.019 0.000 1.396 52 H HN 0.457 nan 8.280 nan 0.000 0.467 53 L N 2.683 123.965 121.223 0.098 0.000 2.270 53 L HA 0.199 4.539 4.340 -0.000 0.000 0.210 53 L C 1.127 178.022 176.870 0.043 0.000 1.104 53 L CA 0.620 55.495 54.840 0.058 0.000 0.804 53 L CB 0.221 42.304 42.059 0.039 0.000 0.937 53 L HN 0.837 nan 8.230 nan 0.000 0.450 54 G N -0.391 108.430 108.800 0.034 0.000 2.406 54 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.680 54 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.680 54 G C -0.356 174.549 174.900 0.009 0.000 1.338 54 G CA -0.740 44.373 45.100 0.021 0.000 0.941 54 G HN 0.180 nan 8.290 nan 0.000 0.633 55 E N -0.530 119.673 120.200 0.006 0.000 2.228 55 E HA -0.145 4.205 4.350 -0.000 0.000 0.213 55 E C 1.053 177.655 176.600 0.003 0.000 1.282 55 E CA 1.141 57.543 56.400 0.004 0.000 0.707 55 E CB -1.474 28.229 29.700 0.005 0.000 1.150 55 E HN 2.030 nan 8.360 nan 0.000 0.362 56 S N -2.008 113.688 115.700 -0.006 0.000 3.521 56 S HA -0.229 4.241 4.470 -0.000 0.000 0.328 56 S C 0.171 174.788 174.600 0.029 0.000 1.165 56 S CA 1.405 59.606 58.200 0.002 0.000 0.941 56 S CB -1.156 62.061 63.200 0.029 0.000 0.951 56 S HN 0.500 nan 8.310 nan 0.000 0.539 57 T N 1.399 115.955 114.554 0.004 0.000 2.829 57 T HA 0.633 4.983 4.350 -0.000 0.000 0.280 57 T C 0.119 174.824 174.700 0.009 0.000 0.999 57 T CA -0.458 61.659 62.100 0.028 0.000 0.983 57 T CB 1.922 70.801 68.868 0.020 0.000 0.968 57 T HN 0.562 nan 8.240 nan 0.000 0.446 58 V N 1.166 121.114 119.914 0.056 0.000 2.540 58 V HA 0.708 4.828 4.120 -0.000 0.000 0.302 58 V C -0.258 175.887 176.094 0.084 0.000 1.035 58 V CA -1.340 60.996 62.300 0.059 0.000 0.873 58 V CB 1.599 33.451 31.823 0.048 0.000 0.992 58 V HN 0.855 nan 8.190 nan 0.000 0.428 59 R N 3.020 123.568 120.500 0.080 0.000 2.221 59 R HA 0.669 5.009 4.340 -0.000 0.000 0.327 59 R C 0.199 176.535 176.300 0.060 0.000 1.033 59 R CA 0.340 56.475 56.100 0.059 0.000 0.887 59 R CB 1.153 31.480 30.300 0.045 0.000 1.057 59 R HN 1.132 nan 8.270 nan 0.000 0.455 60 T N 1.673 116.258 114.554 0.051 0.000 2.927 60 T HA 0.602 4.952 4.350 -0.000 0.000 0.286 60 T C 0.150 174.868 174.700 0.030 0.000 1.040 60 T CA -1.017 61.111 62.100 0.047 0.000 1.010 60 T CB 1.122 70.026 68.868 0.060 0.000 1.177 60 T HN 0.564 nan 8.240 nan 0.000 0.546 61 I N -0.835 119.751 120.570 0.027 0.000 2.465 61 I HA 0.839 5.008 4.170 -0.000 0.000 0.291 61 I C -0.084 176.047 176.117 0.023 0.000 1.014 61 I CA -1.529 59.782 61.300 0.018 0.000 1.093 61 I CB 1.514 39.520 38.000 0.010 0.000 1.267 61 I HN 0.885 nan 8.210 nan 0.000 0.431 62 A N 6.572 129.403 122.820 0.017 0.000 2.316 62 A HA 0.627 4.947 4.320 -0.000 0.000 0.284 62 A C 0.610 178.205 177.584 0.019 0.000 1.115 62 A CA -0.648 51.400 52.037 0.019 0.000 0.812 62 A CB 0.787 19.795 19.000 0.013 0.000 1.064 62 A HN 0.856 nan 8.150 nan 0.000 0.489 63 M N 0.670 120.283 119.600 0.022 0.000 2.428 63 M HA 0.248 4.728 4.480 -0.000 0.000 0.239 63 M C -0.324 175.988 176.300 0.019 0.000 1.121 63 M CA 0.373 55.687 55.300 0.023 0.000 1.019 63 M CB -0.992 31.625 32.600 0.029 0.000 1.485 63 M HN 0.747 nan 8.290 nan 0.000 0.484 64 D N -1.097 119.312 120.400 0.015 0.000 2.692 64 D HA 0.494 5.134 4.640 -0.000 0.000 0.303 64 D C -0.446 175.859 176.300 0.008 0.000 1.278 64 D CA -0.159 53.848 54.000 0.012 0.000 0.852 64 D CB 1.328 42.135 40.800 0.012 0.000 1.375 64 D HN 0.121 nan 8.370 nan 0.000 0.453 65 G N -0.983 107.821 108.800 0.007 0.000 2.559 65 G HA2 0.321 4.281 3.960 -0.000 0.000 0.235 65 G HA3 0.321 4.281 3.960 -0.000 0.000 0.235 65 G C 0.820 175.722 174.900 0.003 0.000 1.266 65 G CA 0.678 45.781 45.100 0.004 0.000 0.847 65 G HN 0.419 nan 8.290 nan 0.000 0.583 66 T N -1.797 112.758 114.554 0.002 0.000 3.054 66 T HA 0.160 4.510 4.350 -0.000 0.000 0.255 66 T C 0.746 175.445 174.700 -0.002 0.000 1.035 66 T CA 0.097 62.197 62.100 0.000 0.000 0.941 66 T CB 0.067 68.936 68.868 0.000 0.000 1.026 66 T HN 0.667 nan 8.240 nan 0.000 0.533 67 E N 2.036 122.235 120.200 -0.001 0.000 2.442 67 E HA 0.271 4.621 4.350 -0.000 0.000 0.262 67 E C 1.181 177.780 176.600 -0.003 0.000 1.004 67 E CA 0.813 57.212 56.400 -0.002 0.000 0.928 67 E CB 0.034 29.733 29.700 -0.001 0.000 0.937 67 E HN 0.500 nan 8.360 nan 0.000 0.446 68 G N 2.586 111.384 108.800 -0.004 0.000 2.217 68 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 68 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 68 G C 0.283 175.178 174.900 -0.008 0.000 0.990 68 G CA 0.151 45.248 45.100 -0.005 0.000 0.627 68 G HN 0.481 nan 8.290 nan 0.000 0.522 69 L N 1.087 122.306 121.223 -0.008 0.000 2.426 69 L HA 0.553 4.893 4.340 -0.000 0.000 0.271 69 L C 0.400 177.262 176.870 -0.013 0.000 1.169 69 L CA -0.477 54.357 54.840 -0.011 0.000 0.836 69 L CB 1.398 43.451 42.059 -0.010 0.000 1.112 69 L HN 0.012 nan 8.230 nan 0.000 0.465 70 V N 3.156 123.060 119.914 -0.017 0.000 2.656 70 V HA 0.363 4.483 4.120 -0.000 0.000 0.307 70 V C -0.051 176.029 176.094 -0.025 0.000 1.051 70 V CA -0.975 61.313 62.300 -0.019 0.000 0.893 70 V CB 1.921 33.733 31.823 -0.018 0.000 0.999 70 V HN 0.668 nan 8.190 nan 0.000 0.426 71 R N 2.580 123.066 120.500 -0.024 0.000 2.473 71 R HA 0.408 4.748 4.340 -0.000 0.000 0.315 71 R C 1.266 177.545 176.300 -0.035 0.000 0.972 71 R CA 1.047 57.129 56.100 -0.030 0.000 1.047 71 R CB -0.048 30.237 30.300 -0.025 0.000 0.932 71 R HN 1.196 nan 8.270 nan 0.000 0.411 72 G N 2.018 110.791 108.800 -0.046 0.000 2.541 72 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.201 72 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.201 72 G C 0.169 175.034 174.900 -0.058 0.000 1.026 72 G CA -0.475 44.594 45.100 -0.051 0.000 0.687 72 G HN 0.569 nan 8.290 nan 0.000 0.492 73 Q N 1.813 121.583 119.800 -0.050 0.000 2.348 73 Q HA 0.255 4.595 4.340 -0.000 0.000 0.331 73 Q C 0.335 176.293 176.000 -0.069 0.000 1.099 73 Q CA 0.708 56.481 55.803 -0.049 0.000 1.021 73 Q CB 0.287 29.003 28.738 -0.037 0.000 1.166 73 Q HN 0.468 nan 8.270 nan 0.000 0.393 74 K N 1.677 122.038 120.400 -0.065 0.000 2.237 74 K HA 0.348 4.668 4.320 -0.000 0.000 0.270 74 K C -1.092 175.461 176.600 -0.079 0.000 1.015 74 K CA -0.390 55.847 56.287 -0.084 0.000 0.949 74 K CB 1.150 33.612 32.500 -0.062 0.000 0.976 74 K HN 0.320 nan 8.250 nan 0.000 0.472 75 V N 4.497 124.343 119.914 -0.114 0.000 2.524 75 V HA 0.236 4.356 4.120 -0.000 0.000 0.297 75 V C -0.616 175.474 176.094 -0.007 0.000 1.035 75 V CA -0.796 61.464 62.300 -0.067 0.000 0.867 75 V CB 1.371 33.139 31.823 -0.091 0.000 1.004 75 V HN 0.598 nan 8.190 nan 0.000 0.426 76 L N 3.565 124.818 121.223 0.050 0.000 2.292 76 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 76 L C 0.121 177.080 176.870 0.149 0.000 1.065 76 L CA -0.381 54.518 54.840 0.098 0.000 0.806 76 L CB 1.166 43.255 42.059 0.050 0.000 1.175 76 L HN 0.636 nan 8.230 nan 0.000 0.431 77 D N 1.270 121.791 120.400 0.200 0.000 2.325 77 D HA 0.016 4.656 4.640 -0.000 0.000 0.251 77 D C 1.132 177.458 176.300 0.043 0.000 1.196 77 D CA -0.186 53.880 54.000 0.109 0.000 0.866 77 D CB 1.319 42.126 40.800 0.011 0.000 1.101 77 D HN 0.509 nan 8.370 nan 0.000 0.476 78 S N 2.916 118.631 115.700 0.025 0.000 2.515 78 S HA 0.089 4.559 4.470 -0.000 0.000 0.231 78 S C 1.769 176.362 174.600 -0.012 0.000 0.987 78 S CA 0.452 58.654 58.200 0.003 0.000 0.936 78 S CB -0.459 62.740 63.200 -0.002 0.000 0.766 78 S HN 1.077 nan 8.310 nan 0.000 0.528 79 G N 0.092 108.881 108.800 -0.017 0.000 2.136 79 G HA2 0.157 4.117 3.960 -0.000 0.000 0.242 79 G HA3 0.157 4.117 3.960 -0.000 0.000 0.242 79 G C 0.129 175.014 174.900 -0.024 0.000 0.989 79 G CA -0.134 44.951 45.100 -0.026 0.000 0.682 79 G HN 1.691 nan 8.290 nan 0.000 0.522 80 A N -1.366 121.443 122.820 -0.018 0.000 2.583 80 A HA 0.839 5.158 4.320 -0.000 0.000 0.292 80 A C -2.942 174.644 177.584 0.003 0.000 1.045 80 A CA -0.460 51.571 52.037 -0.010 0.000 0.672 80 A CB 0.794 19.788 19.000 -0.010 0.000 1.283 80 A HN 0.138 nan 8.150 nan 0.000 0.419 81 P HA 0.294 nan 4.420 nan 0.000 0.272 81 P C -0.271 177.072 177.300 0.071 0.000 1.248 81 P CA -0.162 62.972 63.100 0.057 0.000 0.799 81 P CB 0.203 31.968 31.700 0.107 0.000 0.997 82 I N 0.847 121.480 120.570 0.105 0.000 2.742 82 I HA -0.066 4.104 4.170 -0.000 0.000 0.287 82 I C 1.149 177.310 176.117 0.073 0.000 1.186 82 I CA 0.973 62.320 61.300 0.079 0.000 1.417 82 I CB -0.227 37.823 38.000 0.084 0.000 1.377 82 I HN 0.089 nan 8.210 nan 0.000 0.556 83 R N 7.315 127.851 120.500 0.060 0.000 2.393 83 R HA 0.611 4.951 4.340 -0.000 0.000 0.315 83 R C -0.705 175.696 176.300 0.168 0.000 0.952 83 R CA -0.802 55.355 56.100 0.095 0.000 0.842 83 R CB 1.671 32.002 30.300 0.053 0.000 1.163 83 R HN 0.580 nan 8.270 nan 0.000 0.450 84 I N -0.109 120.565 120.570 0.174 0.000 2.648 84 I HA 0.624 4.794 4.170 -0.000 0.000 0.304 84 I C -2.437 173.733 176.117 0.089 0.000 1.009 84 I CA -3.068 58.322 61.300 0.151 0.000 1.114 84 I CB 1.803 39.819 38.000 0.027 0.000 1.293 84 I HN 0.356 nan 8.210 nan 0.000 0.449 85 P HA 0.145 nan 4.420 nan 0.000 0.268 85 P C -0.790 176.244 177.300 -0.443 0.000 1.205 85 P CA -0.008 62.739 63.100 -0.588 0.000 0.771 85 P CB 1.120 32.539 31.700 -0.469 0.000 0.858 86 V N -0.891 118.672 119.914 -0.585 0.000 2.925 86 V HA 0.999 5.119 4.120 -0.000 0.000 0.311 86 V C -0.030 175.513 176.094 -0.918 0.000 1.104 86 V CA -0.348 61.534 62.300 -0.696 0.000 0.954 86 V CB 1.448 32.852 31.823 -0.697 0.000 1.022 86 V HN 1.020 nan 8.190 nan 0.000 0.427 87 G N 2.927 111.152 108.800 -0.958 0.000 2.361 87 G HA2 0.280 4.240 3.960 -0.000 0.000 0.331 87 G HA3 0.280 4.240 3.960 -0.000 0.000 0.331 87 G C -2.663 172.161 174.900 -0.127 0.000 1.324 87 G CA 0.029 44.739 45.100 -0.649 0.000 0.984 87 G HN 0.609 nan 8.290 nan 0.000 0.586 88 P HA -0.069 nan 4.420 nan 0.000 0.220 88 P C 1.057 178.345 177.300 -0.020 0.000 1.144 88 P CA 1.426 64.565 63.100 0.064 0.000 0.800 88 P CB 0.177 31.918 31.700 0.069 0.000 0.772 89 E N -0.665 119.502 120.200 -0.056 0.000 2.478 89 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 89 E C 1.888 178.448 176.600 -0.065 0.000 1.046 89 E CA 1.323 57.684 56.400 -0.066 0.000 0.870 89 E CB -0.862 28.783 29.700 -0.091 0.000 0.818 89 E HN 0.438 nan 8.360 nan 0.000 0.527 90 T N -1.849 112.666 114.554 -0.064 0.000 3.043 90 T HA 0.069 4.419 4.350 -0.000 0.000 0.263 90 T C 0.833 175.544 174.700 0.019 0.000 1.094 90 T CA -0.104 61.974 62.100 -0.037 0.000 1.127 90 T CB -0.147 68.679 68.868 -0.070 0.000 0.905 90 T HN -0.040 nan 8.240 nan 0.000 0.490 91 L N 1.945 123.176 121.223 0.013 0.000 2.455 91 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 91 L C 1.760 178.634 176.870 0.005 0.000 1.174 91 L CA 0.918 55.749 54.840 -0.016 0.000 0.869 91 L CB 0.175 42.143 42.059 -0.151 0.000 1.130 91 L HN 0.536 nan 8.230 nan 0.000 0.474 92 G N 1.781 110.604 108.800 0.038 0.000 2.284 92 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.247 92 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.247 92 G C 0.386 175.349 174.900 0.105 0.000 1.012 92 G CA -0.418 44.720 45.100 0.063 0.000 0.618 92 G HN 0.486 nan 8.290 nan 0.000 0.521 93 R N 0.416 120.958 120.500 0.070 0.000 2.457 93 R HA 0.675 5.015 4.340 -0.000 0.000 0.284 93 R C 0.242 176.568 176.300 0.043 0.000 1.024 93 R CA -0.660 55.470 56.100 0.050 0.000 1.025 93 R CB 0.970 31.280 30.300 0.017 0.000 1.063 93 R HN 0.361 nan 8.270 nan 0.000 0.493 94 I N 2.324 122.880 120.570 -0.023 0.000 2.353 94 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 94 I C 0.565 176.685 176.117 0.006 0.000 0.992 94 I CA -0.312 60.974 61.300 -0.023 0.000 1.268 94 I CB 1.232 39.104 38.000 -0.215 0.000 1.387 94 I HN 0.288 nan 8.210 nan 0.000 0.478 95 M N 4.196 123.835 119.600 0.065 0.000 2.819 95 M HA 0.435 4.915 4.480 -0.000 0.000 0.300 95 M C -0.907 175.432 176.300 0.064 0.000 1.237 95 M CA -0.691 54.636 55.300 0.044 0.000 0.813 95 M CB 2.426 35.041 32.600 0.026 0.000 1.755 95 M HN 0.545 nan 8.290 nan 0.000 0.484 96 N N -1.446 117.279 118.700 0.041 0.000 2.457 96 N HA 0.427 5.167 4.740 -0.000 0.000 0.290 96 N C 0.378 175.907 175.510 0.032 0.000 1.232 96 N CA -0.528 52.547 53.050 0.042 0.000 0.852 96 N CB 1.713 40.219 38.487 0.032 0.000 1.313 96 N HN 0.383 nan 8.380 nan 0.000 0.522 97 V N 0.605 120.538 119.914 0.031 0.000 2.392 97 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 97 V C 1.548 177.656 176.094 0.023 0.000 1.059 97 V CA 1.946 64.259 62.300 0.022 0.000 1.051 97 V CB -1.087 30.752 31.823 0.027 0.000 0.658 97 V HN 0.747 nan 8.190 nan 0.000 0.455 98 I N -1.753 118.835 120.570 0.030 0.000 3.891 98 I HA 0.689 4.859 4.170 -0.000 0.000 0.331 98 I C 1.365 177.511 176.117 0.048 0.000 1.406 98 I CA 0.533 61.855 61.300 0.037 0.000 1.139 98 I CB 0.025 38.046 38.000 0.035 0.000 1.056 98 I HN 0.292 nan 8.210 nan 0.000 0.399 99 G N 1.009 109.834 108.800 0.041 0.000 2.179 99 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 99 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 99 G C 0.009 174.938 174.900 0.048 0.000 0.977 99 G CA 0.005 45.133 45.100 0.047 0.000 0.641 99 G HN 0.612 nan 8.290 nan 0.000 0.533 100 E N 1.351 121.575 120.200 0.040 0.000 2.392 100 E HA 0.313 4.663 4.350 -0.000 0.000 0.264 100 E C -2.235 174.376 176.600 0.018 0.000 1.024 100 E CA -1.509 54.910 56.400 0.032 0.000 0.903 100 E CB 0.739 30.454 29.700 0.025 0.000 0.963 100 E HN 0.173 nan 8.360 nan 0.000 0.432 101 P HA 0.022 nan 4.420 nan 0.000 0.271 101 P C -0.145 177.147 177.300 -0.014 0.000 1.216 101 P CA 0.355 63.453 63.100 -0.003 0.000 0.771 101 P CB 0.232 31.931 31.700 -0.001 0.000 0.864 102 I N -0.842 119.707 120.570 -0.035 0.000 3.491 102 I HA 0.337 4.507 4.170 -0.000 0.000 0.332 102 I C -0.136 175.917 176.117 -0.106 0.000 1.565 102 I CA -0.257 61.010 61.300 -0.055 0.000 1.050 102 I CB 0.225 38.197 38.000 -0.047 0.000 1.348 102 I HN 0.023 nan 8.210 nan 0.000 0.506 103 D N -0.117 120.225 120.400 -0.096 0.000 2.469 103 D HA 0.058 4.698 4.640 -0.000 0.000 0.215 103 D C 0.320 176.602 176.300 -0.031 0.000 1.154 103 D CA -0.276 53.655 54.000 -0.115 0.000 0.832 103 D CB -0.112 40.603 40.800 -0.140 0.000 1.008 103 D HN 0.411 nan 8.370 nan 0.000 0.506 104 E N 0.169 120.357 120.200 -0.020 0.000 2.269 104 E HA -0.258 4.092 4.350 -0.000 0.000 0.223 104 E C 0.231 176.838 176.600 0.013 0.000 1.244 104 E CA 0.265 56.665 56.400 0.000 0.000 0.713 104 E CB -0.964 28.739 29.700 0.006 0.000 1.178 104 E HN 0.363 nan 8.360 nan 0.000 0.370 105 R N -0.236 120.271 120.500 0.012 0.000 2.600 105 R HA 0.269 4.609 4.340 -0.000 0.000 0.392 105 R C 0.599 176.907 176.300 0.014 0.000 1.032 105 R CA 0.316 56.427 56.100 0.019 0.000 1.139 105 R CB 1.196 31.515 30.300 0.030 0.000 1.400 105 R HN 0.344 nan 8.270 nan 0.000 0.566 106 G N 2.330 111.136 108.800 0.010 0.000 2.756 106 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.678 106 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.678 106 G C -2.594 172.312 174.900 0.010 0.000 1.349 106 G CA -1.154 43.952 45.100 0.010 0.000 0.847 106 G HN 0.037 nan 8.290 nan 0.000 0.548 107 P HA 0.354 nan 4.420 nan 0.000 0.269 107 P C 0.086 177.390 177.300 0.007 0.000 1.217 107 P CA -0.023 63.087 63.100 0.017 0.000 0.783 107 P CB 0.421 32.136 31.700 0.026 0.000 0.898 108 I N 2.115 122.685 120.570 0.001 0.000 2.301 108 I HA 0.165 4.335 4.170 -0.000 0.000 0.292 108 I C 1.233 177.322 176.117 -0.048 0.000 1.046 108 I CA -0.060 61.221 61.300 -0.032 0.000 1.282 108 I CB 0.281 38.248 38.000 -0.054 0.000 1.409 108 I HN 0.106 nan 8.210 nan 0.000 0.484 109 K N 5.727 126.098 120.400 -0.047 0.000 2.758 109 K HA 0.155 4.475 4.320 -0.000 0.000 0.250 109 K C 0.241 176.790 176.600 -0.086 0.000 1.268 109 K CA -0.250 56.013 56.287 -0.040 0.000 1.228 109 K CB 0.111 32.603 32.500 -0.013 0.000 1.715 109 K HN 0.691 nan 8.250 nan 0.000 0.334 110 T N -2.475 111.971 114.554 -0.179 0.000 2.849 110 T HA 0.213 4.563 4.350 -0.000 0.000 0.284 110 T C 1.012 175.597 174.700 -0.192 0.000 1.004 110 T CA -0.600 61.349 62.100 -0.253 0.000 1.021 110 T CB 1.532 70.123 68.868 -0.461 0.000 1.013 110 T HN 0.205 nan 8.240 nan 0.000 0.527 111 K N 0.249 120.558 120.400 -0.151 0.000 2.284 111 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 111 K C 0.370 176.949 176.600 -0.035 0.000 1.048 111 K CA 0.436 56.693 56.287 -0.049 0.000 0.987 111 K CB 0.189 32.684 32.500 -0.009 0.000 0.800 111 K HN 0.573 nan 8.250 nan 0.000 0.486 112 Q N -0.358 119.343 119.800 -0.165 0.000 2.351 112 Q HA 0.487 4.827 4.340 -0.000 0.000 0.273 112 Q C -1.096 174.713 176.000 -0.318 0.000 1.077 112 Q CA -0.513 55.232 55.803 -0.097 0.000 0.843 112 Q CB 1.462 30.172 28.738 -0.046 0.000 1.367 112 Q HN -0.089 nan 8.270 nan 0.000 0.449 113 F N 0.094 120.010 119.950 -0.056 0.000 2.565 113 F HA 0.803 5.330 4.527 -0.000 0.000 0.313 113 F C -0.491 175.286 175.800 -0.038 0.000 1.091 113 F CA -0.900 57.063 58.000 -0.061 0.000 0.915 113 F CB 2.029 41.007 39.000 -0.038 0.000 1.208 113 F HN 0.583 nan 8.300 nan 0.000 0.453 114 A N 1.579 124.466 122.820 0.111 0.000 2.365 114 A HA 0.870 5.190 4.320 -0.000 0.000 0.318 114 A C -0.890 176.741 177.584 0.079 0.000 1.091 114 A CA -0.715 51.367 52.037 0.075 0.000 0.763 114 A CB 0.997 20.011 19.000 0.024 0.000 1.248 114 A HN 0.964 nan 8.150 nan 0.000 0.442 115 A N 1.262 124.125 122.820 0.071 0.000 2.388 115 A HA 0.477 4.797 4.320 -0.000 0.000 0.257 115 A C 0.929 178.538 177.584 0.041 0.000 1.095 115 A CA 0.102 52.181 52.037 0.070 0.000 0.791 115 A CB -0.385 18.663 19.000 0.080 0.000 1.029 115 A HN 1.621 nan 8.150 nan 0.000 0.489 116 I N -0.913 119.668 120.570 0.019 0.000 3.291 116 I HA 0.101 4.271 4.170 -0.000 0.000 0.279 116 I C 0.270 176.247 176.117 -0.233 0.000 1.294 116 I CA 0.406 61.648 61.300 -0.097 0.000 1.428 116 I CB -0.344 37.580 38.000 -0.126 0.000 1.070 116 I HN 0.488 nan 8.210 nan 0.000 0.478 117 H N 2.042 121.117 119.070 0.009 0.000 2.457 117 H HA 0.848 5.404 4.556 -0.000 0.000 0.335 117 H C -0.506 174.825 175.328 0.004 0.000 1.115 117 H CA -0.321 55.731 56.048 0.007 0.000 1.219 117 H CB 1.888 31.656 29.762 0.011 0.000 1.471 117 H HN 0.371 nan 8.280 nan 0.000 0.491 118 A N 2.586 125.467 122.820 0.102 0.000 2.599 118 A HA 0.340 4.660 4.320 -0.000 0.000 0.290 118 A C -0.836 176.777 177.584 0.048 0.000 1.101 118 A CA -0.942 51.131 52.037 0.060 0.000 0.674 118 A CB 1.521 20.539 19.000 0.031 0.000 1.277 118 A HN 0.560 nan 8.150 nan 0.000 0.419 119 E N 0.725 120.946 120.200 0.035 0.000 2.366 119 E HA 0.470 4.820 4.350 -0.000 0.000 0.266 119 E C 0.479 177.092 176.600 0.022 0.000 1.051 119 E CA 0.148 56.566 56.400 0.030 0.000 0.884 119 E CB 1.247 30.962 29.700 0.026 0.000 1.006 119 E HN 0.858 nan 8.360 nan 0.000 0.417 120 A N 4.100 126.934 122.820 0.024 0.000 2.445 120 A HA 0.311 4.631 4.320 -0.000 0.000 0.242 120 A C -1.988 175.611 177.584 0.026 0.000 1.075 120 A CA -1.029 51.020 52.037 0.021 0.000 0.777 120 A CB -0.551 18.466 19.000 0.029 0.000 1.013 120 A HN 0.325 nan 8.150 nan 0.000 0.493 121 P HA 0.062 nan 4.420 nan 0.000 0.264 121 P C 0.044 177.371 177.300 0.045 0.000 1.183 121 P CA 0.232 63.345 63.100 0.022 0.000 0.763 121 P CB 0.430 32.136 31.700 0.009 0.000 0.807 122 E N 1.523 121.753 120.200 0.050 0.000 2.421 122 E HA 0.013 4.363 4.350 -0.000 0.000 0.253 122 E C 0.729 177.407 176.600 0.130 0.000 1.277 122 E CA -0.279 56.173 56.400 0.088 0.000 0.968 122 E CB 0.140 29.884 29.700 0.074 0.000 1.040 122 E HN 0.357 nan 8.360 nan 0.000 0.512 123 F N 1.377 121.327 119.950 0.000 0.000 2.146 123 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 123 F C 2.057 177.855 175.800 -0.002 0.000 1.096 123 F CA 1.403 59.403 58.000 -0.001 0.000 1.275 123 F CB -0.356 38.644 39.000 -0.001 0.000 1.008 123 F HN 0.249 nan 8.300 nan 0.000 0.480 124 V N -2.092 117.834 119.914 0.019 0.000 2.867 124 V HA -0.200 3.920 4.120 -0.000 0.000 0.260 124 V C 1.469 177.499 176.094 -0.107 0.000 1.099 124 V CA 1.954 64.212 62.300 -0.070 0.000 1.122 124 V CB -1.086 30.741 31.823 0.006 0.000 0.708 124 V HN 0.406 nan 8.190 nan 0.000 0.490 125 E N -0.255 119.894 120.200 -0.086 0.000 2.474 125 E HA 0.212 4.562 4.350 -0.000 0.000 0.195 125 E C 0.537 177.078 176.600 -0.100 0.000 1.039 125 E CA -0.281 56.076 56.400 -0.071 0.000 0.881 125 E CB 0.118 29.799 29.700 -0.032 0.000 0.970 125 E HN 0.486 nan 8.360 nan 0.000 0.486 126 M N 1.190 120.688 119.600 -0.171 0.000 2.233 126 M HA 0.117 4.597 4.480 -0.000 0.000 0.350 126 M C 0.452 176.660 176.300 -0.153 0.000 1.176 126 M CA 0.121 55.320 55.300 -0.168 0.000 1.150 126 M CB 0.983 33.436 32.600 -0.246 0.000 1.530 126 M HN -0.128 nan 8.290 nan 0.000 0.459 127 S N 1.732 117.372 115.700 -0.099 0.000 2.593 127 S HA 0.596 5.066 4.470 -0.000 0.000 0.297 127 S C 0.401 174.962 174.600 -0.066 0.000 1.112 127 S CA -0.722 57.432 58.200 -0.077 0.000 1.043 127 S CB 1.568 64.737 63.200 -0.052 0.000 1.054 127 S HN 0.633 nan 8.310 nan 0.000 0.516 128 V N -0.224 119.656 119.914 -0.055 0.000 3.528 128 V HA 0.445 4.565 4.120 -0.000 0.000 0.294 128 V C 0.347 176.426 176.094 -0.025 0.000 1.404 128 V CA -0.339 61.937 62.300 -0.040 0.000 1.065 128 V CB -0.623 31.175 31.823 -0.043 0.000 0.904 128 V HN 0.797 nan 8.190 nan 0.000 0.435 129 E N 1.943 122.129 120.200 -0.023 0.000 2.481 129 E HA 0.131 4.481 4.350 -0.000 0.000 0.263 129 E C -0.395 176.202 176.600 -0.005 0.000 0.992 129 E CA 0.791 57.184 56.400 -0.013 0.000 0.938 129 E CB 0.652 30.345 29.700 -0.012 0.000 0.933 129 E HN 0.662 nan 8.360 nan 0.000 0.453 130 Q N 1.776 121.577 119.800 0.001 0.000 3.853 130 Q HA 0.065 4.405 4.340 -0.000 0.000 0.220 130 Q C -0.938 175.072 176.000 0.016 0.000 0.826 130 Q CA -0.161 55.647 55.803 0.009 0.000 0.821 130 Q CB 0.779 29.520 28.738 0.006 0.000 1.546 130 Q HN 0.530 nan 8.270 nan 0.000 0.410 131 E N 1.193 121.407 120.200 0.022 0.000 2.204 131 E HA 0.415 4.765 4.350 -0.000 0.000 0.276 131 E C -0.502 176.125 176.600 0.045 0.000 0.974 131 E CA -0.724 55.695 56.400 0.030 0.000 0.815 131 E CB 1.891 31.608 29.700 0.027 0.000 1.119 131 E HN 0.370 nan 8.360 nan 0.000 0.393 132 I N 3.132 123.735 120.570 0.054 0.000 2.892 132 I HA 0.046 4.216 4.170 -0.000 0.000 0.287 132 I C -0.695 175.468 176.117 0.077 0.000 1.205 132 I CA -0.229 61.114 61.300 0.071 0.000 1.409 132 I CB 0.513 38.563 38.000 0.083 0.000 1.367 132 I HN 0.630 nan 8.210 nan 0.000 0.597 133 L N 7.967 129.246 121.223 0.094 0.000 2.353 133 L HA 0.400 4.740 4.340 -0.000 0.000 0.270 133 L C -0.818 176.092 176.870 0.068 0.000 1.003 133 L CA -0.659 54.238 54.840 0.095 0.000 0.862 133 L CB 1.287 43.425 42.059 0.132 0.000 1.221 133 L HN 0.348 nan 8.230 nan 0.000 0.430 134 V N 3.189 123.133 119.914 0.050 0.000 2.637 134 V HA 0.143 4.263 4.120 -0.000 0.000 0.296 134 V C 1.324 177.419 176.094 0.002 0.000 1.046 134 V CA 0.588 62.901 62.300 0.021 0.000 1.066 134 V CB 1.119 32.959 31.823 0.028 0.000 0.968 134 V HN 0.913 nan 8.190 nan 0.000 0.483 135 T N -0.820 113.707 114.554 -0.045 0.000 2.969 135 T HA 0.322 4.672 4.350 -0.000 0.000 0.250 135 T C 1.417 176.081 174.700 -0.059 0.000 1.021 135 T CA 0.771 62.835 62.100 -0.060 0.000 1.003 135 T CB 0.612 69.388 68.868 -0.154 0.000 1.040 135 T HN 1.563 nan 8.240 nan 0.000 0.492 136 G N 1.847 110.620 108.800 -0.045 0.000 2.179 136 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.260 136 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.260 136 G C -0.013 174.866 174.900 -0.035 0.000 0.977 136 G CA 0.160 45.237 45.100 -0.038 0.000 0.641 136 G HN 0.683 nan 8.290 nan 0.000 0.533 137 I N 0.967 121.512 120.570 -0.041 0.000 2.325 137 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 137 I C 1.578 177.712 176.117 0.028 0.000 1.019 137 I CA -0.690 60.624 61.300 0.024 0.000 1.302 137 I CB 1.296 39.324 38.000 0.046 0.000 1.401 137 I HN -0.031 nan 8.210 nan 0.000 0.485 138 K N 3.642 124.070 120.400 0.046 0.000 2.032 138 K HA -0.161 4.158 4.320 -0.000 0.000 0.209 138 K C 1.812 178.447 176.600 0.058 0.000 1.048 138 K CA 1.249 57.567 56.287 0.053 0.000 0.927 138 K CB -0.062 32.438 32.500 0.001 0.000 0.712 138 K HN 0.578 nan 8.250 nan 0.000 0.441 139 V N 0.839 120.782 119.914 0.049 0.000 2.548 139 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 139 V C 1.929 178.021 176.094 -0.003 0.000 1.055 139 V CA 1.271 63.577 62.300 0.010 0.000 1.065 139 V CB 0.138 31.984 31.823 0.038 0.000 0.681 139 V HN 0.091 nan 8.190 nan 0.000 0.462 140 V N 0.137 120.046 119.914 -0.008 0.000 2.302 140 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 140 V C 2.347 178.394 176.094 -0.078 0.000 1.036 140 V CA 2.268 64.521 62.300 -0.079 0.000 1.020 140 V CB -0.672 31.006 31.823 -0.242 0.000 0.657 140 V HN 0.541 nan 8.190 nan 0.000 0.453 141 D N 0.001 120.368 120.400 -0.054 0.000 2.144 141 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 141 D C 1.961 178.367 176.300 0.176 0.000 0.984 141 D CA 1.299 55.315 54.000 0.026 0.000 0.834 141 D CB -0.071 40.739 40.800 0.017 0.000 0.955 141 D HN 0.365 nan 8.370 nan 0.000 0.465 142 L N 0.213 121.505 121.223 0.115 0.000 2.007 142 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 142 L C 2.106 179.052 176.870 0.128 0.000 1.073 142 L CA 1.491 56.428 54.840 0.163 0.000 0.744 142 L CB -0.455 41.574 42.059 -0.052 0.000 0.898 142 L HN -0.066 nan 8.230 nan 0.000 0.435 143 L N -0.576 120.647 121.223 0.001 0.000 2.249 143 L HA 0.271 4.611 4.340 -0.000 0.000 0.207 143 L C 0.767 177.636 176.870 -0.002 0.000 1.090 143 L CA 0.502 55.322 54.840 -0.032 0.000 0.802 143 L CB -0.244 41.774 42.059 -0.068 0.000 0.947 143 L HN 0.361 nan 8.230 nan 0.000 0.453 144 A N 0.045 122.882 122.820 0.028 0.000 3.158 144 A HA 0.511 4.831 4.320 -0.000 0.000 0.302 144 A C -2.693 174.950 177.584 0.098 0.000 1.162 144 A CA -0.858 51.222 52.037 0.071 0.000 0.824 144 A CB -0.019 19.049 19.000 0.113 0.000 1.322 144 A HN -0.148 nan 8.150 nan 0.000 0.510 145 P HA 0.249 nan 4.420 nan 0.000 0.275 145 P C -0.327 177.097 177.300 0.208 0.000 1.227 145 P CA 0.224 63.354 63.100 0.051 0.000 0.781 145 P CB 0.252 31.982 31.700 0.049 0.000 0.906 146 Y N 0.526 120.857 120.300 0.051 0.000 2.281 146 Y HA 0.451 5.001 4.550 -0.000 0.000 0.337 146 Y C 1.033 176.950 175.900 0.028 0.000 1.304 146 Y CA -1.246 56.876 58.100 0.037 0.000 1.465 146 Y CB 0.634 39.114 38.460 0.033 0.000 1.350 146 Y HN 0.322 nan 8.280 nan 0.000 0.575 147 A N 1.636 124.564 122.820 0.181 0.000 2.386 147 A HA 0.386 4.706 4.320 -0.000 0.000 0.311 147 A C -1.033 176.588 177.584 0.062 0.000 1.068 147 A CA -1.093 51.002 52.037 0.096 0.000 0.743 147 A CB 1.022 20.058 19.000 0.060 0.000 1.258 147 A HN 0.684 nan 8.150 nan 0.000 0.429 148 K N 0.779 121.211 120.400 0.054 0.000 2.447 148 K HA 0.303 4.623 4.320 -0.000 0.000 0.281 148 K C 1.219 177.827 176.600 0.012 0.000 1.031 148 K CA 1.343 57.652 56.287 0.037 0.000 1.019 148 K CB 0.338 32.865 32.500 0.044 0.000 0.918 148 K HN 1.618 nan 8.250 nan 0.000 0.476 149 G N 2.339 111.134 108.800 -0.008 0.000 2.189 149 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 149 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 149 G C 0.515 175.392 174.900 -0.037 0.000 0.975 149 G CA 0.204 45.290 45.100 -0.024 0.000 0.644 149 G HN 0.846 nan 8.290 nan 0.000 0.537 150 G N -0.710 108.068 108.800 -0.037 0.000 2.547 150 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 150 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 150 G C -0.177 174.670 174.900 -0.087 0.000 1.211 150 G CA -0.593 44.481 45.100 -0.043 0.000 0.950 150 G HN 0.336 nan 8.290 nan 0.000 0.504 151 K N 0.197 120.549 120.400 -0.080 0.000 2.334 151 K HA 0.365 4.685 4.320 -0.000 0.000 0.265 151 K C -0.862 175.650 176.600 -0.146 0.000 1.039 151 K CA -0.224 55.998 56.287 -0.109 0.000 0.920 151 K CB 1.354 33.820 32.500 -0.057 0.000 1.160 151 K HN 0.217 nan 8.250 nan 0.000 0.451 152 I N 1.422 121.843 120.570 -0.248 0.000 2.392 152 I HA 0.329 4.499 4.170 -0.000 0.000 0.295 152 I C 0.577 176.536 176.117 -0.264 0.000 0.985 152 I CA -0.282 60.806 61.300 -0.353 0.000 1.221 152 I CB 1.973 39.541 38.000 -0.720 0.000 1.366 152 I HN 0.540 nan 8.210 nan 0.000 0.467 153 G N 6.411 115.096 108.800 -0.192 0.000 2.590 153 G HA2 0.695 4.655 3.960 -0.000 0.000 0.310 153 G HA3 0.695 4.655 3.960 -0.000 0.000 0.310 153 G C -1.039 173.782 174.900 -0.131 0.000 1.347 153 G CA -0.588 44.377 45.100 -0.224 0.000 0.963 153 G HN 0.464 nan 8.290 nan 0.000 0.494 154 L N 2.097 123.214 121.223 -0.176 0.000 2.283 154 L HA 0.452 4.792 4.340 -0.000 0.000 0.281 154 L C -0.792 176.009 176.870 -0.115 0.000 1.033 154 L CA -0.649 54.179 54.840 -0.019 0.000 0.848 154 L CB 0.734 42.828 42.059 0.058 0.000 1.226 154 L HN 0.304 nan 8.230 nan 0.000 0.429 155 F N 1.491 121.426 119.950 -0.024 0.000 2.396 155 F HA 0.718 5.245 4.527 -0.000 0.000 0.343 155 F C 1.032 176.828 175.800 -0.006 0.000 1.104 155 F CA -0.121 57.849 58.000 -0.051 0.000 1.161 155 F CB 1.852 40.807 39.000 -0.075 0.000 1.146 155 F HN 0.486 nan 8.300 nan 0.000 0.522 156 G N 1.141 110.015 108.800 0.123 0.000 2.633 156 G HA2 0.473 4.433 3.960 -0.000 0.000 0.299 156 G HA3 0.473 4.433 3.960 -0.000 0.000 0.299 156 G C -0.706 174.168 174.900 -0.044 0.000 1.501 156 G CA -0.444 44.697 45.100 0.068 0.000 0.887 156 G HN 0.924 nan 8.290 nan 0.000 0.561 157 G N -0.240 108.508 108.800 -0.086 0.000 2.653 157 G HA2 0.641 4.601 3.960 -0.000 0.000 0.265 157 G HA3 0.641 4.601 3.960 -0.000 0.000 0.265 157 G C 0.868 175.756 174.900 -0.021 0.000 1.237 157 G CA 0.361 45.339 45.100 -0.204 0.000 0.946 157 G HN 1.787 nan 8.290 nan 0.000 0.522 158 A N -0.907 121.963 122.820 0.082 0.000 2.540 158 A HA 0.496 4.816 4.320 -0.000 0.000 0.264 158 A C 1.510 179.169 177.584 0.126 0.000 1.080 158 A CA 1.148 53.332 52.037 0.245 0.000 0.776 158 A CB -0.986 18.184 19.000 0.283 0.000 1.011 158 A HN 2.588 nan 8.150 nan 0.000 0.514 159 G N 0.946 109.817 108.800 0.118 0.000 2.171 159 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.238 159 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.238 159 G C 0.530 175.476 174.900 0.077 0.000 1.039 159 G CA 0.581 45.727 45.100 0.075 0.000 0.759 159 G HN 2.171 nan 8.290 nan 0.000 0.501 160 V N -3.781 116.189 119.914 0.093 0.000 3.643 160 V HA 0.710 4.830 4.120 -0.000 0.000 0.280 160 V C 1.635 177.824 176.094 0.158 0.000 1.351 160 V CA 1.288 63.657 62.300 0.115 0.000 1.073 160 V CB 0.419 32.286 31.823 0.074 0.000 0.863 160 V HN 2.057 nan 8.190 nan 0.000 0.436 161 G N 0.258 109.133 108.800 0.125 0.000 2.425 161 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.177 161 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.177 161 G C 0.754 175.740 174.900 0.143 0.000 0.999 161 G CA 0.180 45.358 45.100 0.129 0.000 0.723 161 G HN 0.350 nan 8.290 nan 0.000 0.491 162 K N 0.258 120.739 120.400 0.136 0.000 2.049 162 K HA -0.211 4.109 4.320 -0.000 0.000 0.219 162 K C 2.500 179.195 176.600 0.158 0.000 1.056 162 K CA 2.421 58.792 56.287 0.140 0.000 0.946 162 K CB -0.489 32.083 32.500 0.119 0.000 0.723 162 K HN 0.379 nan 8.250 nan 0.000 0.453 163 T N 1.025 115.668 114.554 0.148 0.000 2.701 163 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 163 T C 2.089 176.894 174.700 0.175 0.000 1.040 163 T CA 1.341 63.540 62.100 0.165 0.000 1.147 163 T CB -0.320 68.638 68.868 0.151 0.000 0.865 163 T HN -0.035 nan 8.240 nan 0.000 0.426 164 V N 1.650 121.664 119.914 0.168 0.000 2.317 164 V HA -0.179 3.941 4.120 -0.000 0.000 0.251 164 V C 2.438 178.705 176.094 0.289 0.000 1.065 164 V CA 1.581 64.012 62.300 0.217 0.000 1.049 164 V CB -0.733 31.192 31.823 0.169 0.000 0.651 164 V HN 0.309 nan 8.190 nan 0.000 0.450 165 L N -0.469 120.935 121.223 0.303 0.000 2.046 165 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 165 L C 2.114 179.124 176.870 0.234 0.000 1.077 165 L CA 1.800 56.843 54.840 0.340 0.000 0.747 165 L CB -0.475 41.782 42.059 0.329 0.000 0.896 165 L HN 0.260 nan 8.230 nan 0.000 0.432 166 I N -1.385 119.316 120.570 0.218 0.000 2.614 166 I HA -0.263 3.907 4.170 -0.000 0.000 0.258 166 I C 1.912 178.099 176.117 0.116 0.000 1.189 166 I CA 0.623 62.056 61.300 0.222 0.000 1.462 166 I CB 0.101 38.259 38.000 0.263 0.000 1.092 166 I HN 0.322 nan 8.210 nan 0.000 0.442 167 M N -0.158 119.502 119.600 0.100 0.000 2.160 167 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 167 M C 2.136 178.422 176.300 -0.023 0.000 1.073 167 M CA 1.503 56.815 55.300 0.020 0.000 1.142 167 M CB -1.217 31.420 32.600 0.063 0.000 1.358 167 M HN 0.116 nan 8.290 nan 0.000 0.422 168 E N 0.617 120.808 120.200 -0.015 0.000 2.110 168 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 168 E C 2.033 178.553 176.600 -0.134 0.000 0.988 168 E CA 1.199 57.496 56.400 -0.171 0.000 0.804 168 E CB -0.317 29.058 29.700 -0.542 0.000 0.745 168 E HN 0.464 nan 8.360 nan 0.000 0.458 169 L N -0.096 121.116 121.223 -0.019 0.000 2.046 169 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 169 L C 2.449 179.363 176.870 0.074 0.000 1.077 169 L CA 0.966 55.859 54.840 0.088 0.000 0.747 169 L CB -0.314 41.913 42.059 0.281 0.000 0.896 169 L HN 0.228 nan 8.230 nan 0.000 0.432 170 I N -0.091 120.433 120.570 -0.077 0.000 2.179 170 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 170 I C 2.291 178.356 176.117 -0.087 0.000 1.088 170 I CA 1.460 62.627 61.300 -0.222 0.000 1.357 170 I CB -0.263 37.472 38.000 -0.442 0.000 1.051 170 I HN 0.327 nan 8.210 nan 0.000 0.409 171 N N 1.010 119.661 118.700 -0.082 0.000 2.104 171 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 171 N C 1.426 176.915 175.510 -0.036 0.000 1.024 171 N CA 1.912 54.925 53.050 -0.060 0.000 0.853 171 N CB -0.152 38.290 38.487 -0.075 0.000 1.008 171 N HN 0.380 nan 8.380 nan 0.000 0.424 172 N N -1.622 117.058 118.700 -0.034 0.000 2.395 172 N HA 0.028 4.768 4.740 -0.000 0.000 0.175 172 N C 0.847 176.377 175.510 0.034 0.000 1.029 172 N CA 0.536 53.575 53.050 -0.019 0.000 0.897 172 N CB 0.752 39.205 38.487 -0.057 0.000 0.991 172 N HN 0.051 nan 8.380 nan 0.000 0.441 173 V N 0.206 120.167 119.914 0.078 0.000 2.996 173 V HA 0.208 4.328 4.120 -0.000 0.000 0.235 173 V C 2.005 178.196 176.094 0.161 0.000 1.205 173 V CA 0.748 63.125 62.300 0.128 0.000 1.225 173 V CB -0.070 31.854 31.823 0.168 0.000 0.995 173 V HN 0.140 nan 8.190 nan 0.000 0.484 174 A N -0.031 122.889 122.820 0.167 0.000 1.969 174 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 174 A C 2.193 179.861 177.584 0.140 0.000 1.169 174 A CA 1.572 53.715 52.037 0.178 0.000 0.635 174 A CB -0.318 18.765 19.000 0.139 0.000 0.810 174 A HN 0.448 nan 8.150 nan 0.000 0.445 175 K N -0.354 120.094 120.400 0.080 0.000 2.025 175 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 175 K C 2.352 178.993 176.600 0.068 0.000 1.049 175 K CA 1.127 57.447 56.287 0.054 0.000 0.933 175 K CB -0.273 32.239 32.500 0.019 0.000 0.714 175 K HN 0.434 nan 8.250 nan 0.000 0.438 176 A N 1.022 123.889 122.820 0.078 0.000 1.873 176 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 176 A C 0.720 178.357 177.584 0.088 0.000 1.186 176 A CA 0.672 52.750 52.037 0.068 0.000 0.616 176 A CB -0.812 18.226 19.000 0.062 0.000 0.823 176 A HN 0.425 nan 8.150 nan 0.000 0.442 177 H N 0.349 119.440 119.070 0.035 0.000 3.209 177 H HA 0.179 4.735 4.556 -0.000 0.000 0.297 177 H C 0.748 176.079 175.328 0.004 0.000 0.936 177 H CA 0.547 56.612 56.048 0.029 0.000 1.392 177 H CB 0.244 30.041 29.762 0.060 0.000 1.349 177 H HN 0.226 nan 8.280 nan 0.000 0.568 178 G N 3.543 112.033 108.800 -0.516 0.000 2.571 178 G HA2 0.540 4.500 3.960 -0.000 0.000 0.327 178 G HA3 0.540 4.500 3.960 -0.000 0.000 0.327 178 G C 0.093 174.626 174.900 -0.610 0.000 1.008 178 G CA 0.328 45.180 45.100 -0.412 0.000 1.136 178 G HN 0.970 nan 8.290 nan 0.000 0.444 179 G N 1.234 109.800 108.800 -0.389 0.000 2.339 179 G HA2 0.171 4.131 3.960 -0.000 0.000 0.275 179 G HA3 0.171 4.131 3.960 -0.000 0.000 0.275 179 G C -1.206 173.662 174.900 -0.054 0.000 1.323 179 G CA -1.075 43.807 45.100 -0.364 0.000 0.927 179 G HN 0.441 nan 8.290 nan 0.000 0.486 180 Y N 0.007 120.307 120.300 -0.000 0.000 2.419 180 Y HA 0.702 5.252 4.550 -0.000 0.000 0.328 180 Y C 0.719 176.629 175.900 0.017 0.000 1.162 180 Y CA -0.731 57.296 58.100 -0.121 0.000 1.174 180 Y CB 2.304 40.409 38.460 -0.592 0.000 1.228 180 Y HN 0.475 nan 8.280 nan 0.000 0.473 181 S N 1.045 116.879 115.700 0.223 0.000 2.568 181 S HA 0.650 5.120 4.470 -0.000 0.000 0.293 181 S C -1.239 173.511 174.600 0.250 0.000 1.089 181 S CA -0.761 57.578 58.200 0.231 0.000 0.945 181 S CB 2.041 65.413 63.200 0.286 0.000 1.077 181 S HN 0.319 nan 8.310 nan 0.000 0.485 182 V N 2.844 122.920 119.914 0.271 0.000 2.483 182 V HA 0.472 4.592 4.120 -0.000 0.000 0.297 182 V C -1.224 175.040 176.094 0.283 0.000 1.027 182 V CA -0.606 61.845 62.300 0.251 0.000 0.855 182 V CB 1.241 33.180 31.823 0.193 0.000 0.995 182 V HN 0.849 nan 8.190 nan 0.000 0.424 183 F N 4.305 124.333 119.950 0.131 0.000 2.415 183 F HA 0.769 5.296 4.527 -0.000 0.000 0.348 183 F C 0.404 176.152 175.800 -0.085 0.000 1.119 183 F CA -0.406 57.637 58.000 0.072 0.000 1.069 183 F CB 1.195 40.218 39.000 0.038 0.000 1.124 183 F HN 0.549 nan 8.300 nan 0.000 0.472 184 A N 4.415 126.935 122.820 -0.500 0.000 2.271 184 A HA 0.635 4.954 4.320 -0.000 0.000 0.317 184 A C -0.064 177.161 177.584 -0.599 0.000 1.245 184 A CA -0.376 51.402 52.037 -0.432 0.000 0.857 184 A CB 0.451 19.266 19.000 -0.310 0.000 1.175 184 A HN 0.989 nan 8.150 nan 0.000 0.512 185 G N 1.331 109.777 108.800 -0.589 0.000 2.404 185 G HA2 0.500 4.460 3.960 -0.000 0.000 0.316 185 G HA3 0.500 4.460 3.960 -0.000 0.000 0.316 185 G C -0.703 174.097 174.900 -0.167 0.000 1.074 185 G CA -0.168 44.706 45.100 -0.375 0.000 0.989 185 G HN 0.696 nan 8.290 nan 0.000 0.430 186 V N 2.741 122.600 119.914 -0.092 0.000 2.304 186 V HA 0.577 4.697 4.120 -0.000 0.000 0.278 186 V C 1.077 177.181 176.094 0.017 0.000 1.018 186 V CA 0.256 62.534 62.300 -0.038 0.000 0.814 186 V CB 0.737 32.523 31.823 -0.061 0.000 1.021 186 V HN 1.306 nan 8.190 nan 0.000 0.440 187 G N 3.384 112.208 108.800 0.039 0.000 2.273 187 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.280 187 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.280 187 G C 0.104 175.038 174.900 0.056 0.000 1.047 187 G CA 0.393 45.518 45.100 0.042 0.000 0.869 187 G HN 0.564 nan 8.290 nan 0.000 0.502 188 E N -0.822 119.431 120.200 0.089 0.000 2.586 188 E HA 0.481 4.831 4.350 -0.000 0.000 0.232 188 E C 0.878 177.544 176.600 0.110 0.000 0.854 188 E CA -0.966 55.493 56.400 0.098 0.000 0.938 188 E CB 0.562 30.338 29.700 0.128 0.000 1.518 188 E HN 0.378 nan 8.360 nan 0.000 0.400 189 R N 0.308 120.876 120.500 0.113 0.000 2.347 189 R HA 0.198 4.538 4.340 -0.000 0.000 0.304 189 R C 1.168 177.535 176.300 0.110 0.000 1.072 189 R CA 0.106 56.264 56.100 0.095 0.000 0.980 189 R CB 0.322 30.671 30.300 0.082 0.000 0.986 189 R HN 0.396 nan 8.270 nan 0.000 0.448 190 T N 2.301 116.900 114.554 0.075 0.000 2.684 190 T HA -0.226 4.123 4.350 -0.000 0.000 0.267 190 T C 1.795 176.501 174.700 0.010 0.000 1.036 190 T CA 1.417 63.538 62.100 0.034 0.000 1.148 190 T CB -0.152 68.722 68.868 0.010 0.000 0.863 190 T HN 0.562 nan 8.240 nan 0.000 0.436 191 R N 0.988 121.505 120.500 0.028 0.000 2.133 191 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 191 R C 2.291 178.616 176.300 0.040 0.000 1.137 191 R CA 2.210 58.328 56.100 0.030 0.000 0.947 191 R CB -0.262 30.061 30.300 0.039 0.000 0.865 191 R HN 0.519 nan 8.270 nan 0.000 0.437 192 E N -1.197 119.044 120.200 0.069 0.000 2.097 192 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 192 E C 1.906 178.547 176.600 0.068 0.000 1.000 192 E CA 1.278 57.729 56.400 0.086 0.000 0.804 192 E CB -0.315 29.464 29.700 0.132 0.000 0.740 192 E HN 0.645 nan 8.360 nan 0.000 0.454 193 G N 1.360 110.199 108.800 0.065 0.000 2.440 193 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.218 193 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.218 193 G C 1.426 176.222 174.900 -0.173 0.000 1.154 193 G CA 0.868 45.895 45.100 -0.121 0.000 0.767 193 G HN 0.211 nan 8.290 nan 0.000 0.552 194 N N 0.878 119.529 118.700 -0.082 0.000 2.216 194 N HA -0.103 4.637 4.740 -0.000 0.000 0.183 194 N C 1.516 177.124 175.510 0.164 0.000 1.017 194 N CA 1.409 54.499 53.050 0.067 0.000 0.861 194 N CB -0.172 38.360 38.487 0.075 0.000 0.986 194 N HN 0.126 nan 8.380 nan 0.000 0.428 195 D N 0.958 121.405 120.400 0.078 0.000 2.104 195 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 195 D C 1.936 178.261 176.300 0.042 0.000 0.994 195 D CA 0.543 54.581 54.000 0.063 0.000 0.830 195 D CB -0.372 40.450 40.800 0.037 0.000 0.959 195 D HN 0.216 nan 8.370 nan 0.000 0.452 196 L N -0.268 120.955 121.223 -0.000 0.000 2.027 196 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 196 L C 2.141 179.001 176.870 -0.017 0.000 1.074 196 L CA 1.481 56.279 54.840 -0.070 0.000 0.745 196 L CB -0.788 41.154 42.059 -0.194 0.000 0.898 196 L HN 0.033 nan 8.230 nan 0.000 0.433 197 Y N -0.090 120.121 120.300 -0.149 0.000 2.097 197 Y HA -0.303 4.247 4.550 -0.000 0.000 0.282 197 Y C 2.757 178.507 175.900 -0.250 0.000 1.152 197 Y CA 2.273 60.239 58.100 -0.222 0.000 1.136 197 Y CB -0.527 37.743 38.460 -0.316 0.000 0.975 197 Y HN 0.385 nan 8.280 nan 0.000 0.498 198 H N -0.682 118.328 119.070 -0.100 0.000 2.512 198 H HA -0.000 4.556 4.556 -0.000 0.000 0.279 198 H C 1.937 177.182 175.328 -0.139 0.000 0.999 198 H CA 1.191 57.128 56.048 -0.185 0.000 1.283 198 H CB 0.142 29.842 29.762 -0.104 0.000 1.421 198 H HN 0.547 nan 8.280 nan 0.000 0.554 199 E N 0.262 120.456 120.200 -0.010 0.000 2.152 199 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 199 E C 1.962 178.519 176.600 -0.071 0.000 0.983 199 E CA 0.465 56.842 56.400 -0.038 0.000 0.818 199 E CB 0.191 29.866 29.700 -0.042 0.000 0.758 199 E HN 0.347 nan 8.360 nan 0.000 0.467 200 M N -0.101 119.438 119.600 -0.101 0.000 2.334 200 M HA -0.025 4.455 4.480 -0.000 0.000 0.266 200 M C 2.012 178.237 176.300 -0.125 0.000 1.082 200 M CA 0.833 56.073 55.300 -0.100 0.000 1.141 200 M CB 0.120 32.670 32.600 -0.083 0.000 1.380 200 M HN 0.121 nan 8.290 nan 0.000 0.440 201 I N -0.068 120.380 120.570 -0.203 0.000 2.202 201 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 201 I C 2.406 178.456 176.117 -0.112 0.000 1.091 201 I CA 1.004 62.181 61.300 -0.205 0.000 1.368 201 I CB -0.339 37.459 38.000 -0.336 0.000 1.058 201 I HN 0.216 nan 8.210 nan 0.000 0.410 202 E N 0.753 120.903 120.200 -0.084 0.000 2.077 202 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 202 E C 2.352 178.924 176.600 -0.046 0.000 0.989 202 E CA 1.869 58.238 56.400 -0.052 0.000 0.800 202 E CB -0.370 29.306 29.700 -0.039 0.000 0.746 202 E HN 0.526 nan 8.360 nan 0.000 0.452 203 S N -1.320 114.351 115.700 -0.049 0.000 2.489 203 S HA 0.119 4.589 4.470 -0.000 0.000 0.228 203 S C 1.664 176.245 174.600 -0.033 0.000 0.995 203 S CA 0.967 59.144 58.200 -0.038 0.000 0.934 203 S CB 0.344 63.522 63.200 -0.038 0.000 0.771 203 S HN 0.344 nan 8.310 nan 0.000 0.522 204 G N 0.386 109.161 108.800 -0.042 0.000 2.213 204 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.236 204 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.236 204 G C 0.812 175.697 174.900 -0.024 0.000 0.991 204 G CA 0.123 45.203 45.100 -0.033 0.000 0.629 204 G HN 0.740 nan 8.290 nan 0.000 0.517 205 V N 0.290 120.190 119.914 -0.022 0.000 2.568 205 V HA 0.097 4.217 4.120 -0.000 0.000 0.253 205 V C 1.551 177.643 176.094 -0.002 0.000 1.072 205 V CA 1.867 64.165 62.300 -0.002 0.000 1.084 205 V CB -0.355 31.468 31.823 -0.001 0.000 0.676 205 V HN 0.504 nan 8.190 nan 0.000 0.469 206 I N 1.009 121.560 120.570 -0.032 0.000 2.378 206 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 206 I C -0.201 175.883 176.117 -0.055 0.000 0.992 206 I CA -0.054 61.225 61.300 -0.035 0.000 1.154 206 I CB 1.502 39.471 38.000 -0.051 0.000 1.315 206 I HN 0.077 nan 8.210 nan 0.000 0.448 207 N N 6.458 125.138 118.700 -0.032 0.000 2.407 207 N HA 0.364 5.103 4.740 -0.000 0.000 0.277 207 N C 0.327 175.822 175.510 -0.026 0.000 0.995 207 N CA -0.391 52.639 53.050 -0.034 0.000 0.903 207 N CB 1.977 40.453 38.487 -0.018 0.000 1.218 207 N HN 0.553 nan 8.380 nan 0.000 0.487 208 L N 2.616 123.817 121.223 -0.037 0.000 2.341 208 L HA 0.030 4.370 4.340 -0.000 0.000 0.214 208 L C 2.066 178.931 176.870 -0.008 0.000 1.115 208 L CA 0.597 55.426 54.840 -0.019 0.000 0.820 208 L CB -0.058 41.985 42.059 -0.028 0.000 0.944 208 L HN 0.365 nan 8.230 nan 0.000 0.452 209 K N 0.694 121.086 120.400 -0.012 0.000 2.020 209 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 209 K C 0.742 177.340 176.600 -0.002 0.000 1.038 209 K CA 1.077 57.361 56.287 -0.006 0.000 0.947 209 K CB -0.347 32.148 32.500 -0.008 0.000 0.744 209 K HN 0.410 nan 8.250 nan 0.000 0.442 210 D N -0.625 119.773 120.400 -0.003 0.000 2.406 210 D HA 0.297 4.937 4.640 -0.000 0.000 0.288 210 D C -0.026 176.276 176.300 0.003 0.000 1.186 210 D CA -0.461 53.540 54.000 0.001 0.000 1.098 210 D CB 0.221 41.022 40.800 0.002 0.000 1.160 210 D HN 0.069 nan 8.370 nan 0.000 0.561 211 A N -1.005 121.819 122.820 0.006 0.000 2.663 211 A HA 0.343 4.663 4.320 -0.000 0.000 0.273 211 A C 0.486 178.078 177.584 0.015 0.000 0.932 211 A CA -0.093 51.949 52.037 0.008 0.000 1.055 211 A CB -0.610 18.395 19.000 0.009 0.000 1.206 211 A HN 0.524 nan 8.150 nan 0.000 0.485 212 T N -1.797 112.767 114.554 0.015 0.000 3.287 212 T HA 0.293 4.643 4.350 -0.000 0.000 0.253 212 T C 0.382 175.099 174.700 0.027 0.000 0.975 212 T CA -0.005 62.111 62.100 0.027 0.000 0.912 212 T CB -0.467 68.414 68.868 0.021 0.000 1.071 212 T HN 0.118 nan 8.240 nan 0.000 0.578 213 S N 1.338 117.046 115.700 0.013 0.000 2.565 213 S HA 0.348 4.817 4.470 -0.000 0.000 0.276 213 S C 0.907 175.512 174.600 0.008 0.000 1.326 213 S CA -0.696 57.507 58.200 0.006 0.000 1.045 213 S CB 1.231 64.427 63.200 -0.006 0.000 0.918 213 S HN 0.475 nan 8.310 nan 0.000 0.505 214 K N 0.906 121.329 120.400 0.039 0.000 2.438 214 K HA 0.254 4.574 4.320 -0.000 0.000 0.206 214 K C -0.841 175.812 176.600 0.089 0.000 1.081 214 K CA 0.161 56.510 56.287 0.102 0.000 1.053 214 K CB 0.950 33.534 32.500 0.140 0.000 0.908 214 K HN 0.359 nan 8.250 nan 0.000 0.556 215 V N 1.121 121.073 119.914 0.062 0.000 2.680 215 V HA 0.598 4.718 4.120 -0.000 0.000 0.309 215 V C -0.704 175.453 176.094 0.106 0.000 1.052 215 V CA -1.244 61.120 62.300 0.106 0.000 0.908 215 V CB 1.657 33.551 31.823 0.119 0.000 1.001 215 V HN 0.089 nan 8.190 nan 0.000 0.431 216 A N 4.988 127.903 122.820 0.159 0.000 2.318 216 A HA 0.897 5.217 4.320 -0.000 0.000 0.324 216 A C -0.851 176.845 177.584 0.188 0.000 1.170 216 A CA -0.538 51.597 52.037 0.164 0.000 0.810 216 A CB 0.766 19.891 19.000 0.208 0.000 1.198 216 A HN 0.806 nan 8.150 nan 0.000 0.484 217 L N 2.678 124.009 121.223 0.180 0.000 2.329 217 L HA 0.664 5.004 4.340 -0.000 0.000 0.279 217 L C -0.907 176.073 176.870 0.183 0.000 1.014 217 L CA -0.920 54.066 54.840 0.243 0.000 0.814 217 L CB 1.764 44.034 42.059 0.351 0.000 1.257 217 L HN 0.421 nan 8.230 nan 0.000 0.424 218 V N 2.674 122.639 119.914 0.086 0.000 2.638 218 V HA 0.468 4.588 4.120 -0.000 0.000 0.306 218 V C -1.290 174.741 176.094 -0.106 0.000 1.052 218 V CA -0.698 61.625 62.300 0.039 0.000 0.885 218 V CB 1.860 33.671 31.823 -0.021 0.000 0.999 218 V HN 0.447 nan 8.190 nan 0.000 0.424 219 Y N 1.513 121.833 120.300 0.034 0.000 2.373 219 Y HA 0.735 5.285 4.550 -0.000 0.000 0.336 219 Y C 0.534 176.447 175.900 0.021 0.000 0.979 219 Y CA -0.613 57.511 58.100 0.040 0.000 1.080 219 Y CB 2.776 41.252 38.460 0.028 0.000 1.190 219 Y HN 0.743 nan 8.280 nan 0.000 0.446 220 G N 3.934 112.818 108.800 0.139 0.000 3.598 220 G HA2 0.318 4.278 3.960 -0.000 0.000 0.320 220 G HA3 0.318 4.278 3.960 -0.000 0.000 0.320 220 G C -0.867 174.088 174.900 0.092 0.000 1.560 220 G CA -0.526 44.630 45.100 0.094 0.000 0.904 220 G HN 0.319 nan 8.290 nan 0.000 0.489 221 Q N 0.904 120.777 119.800 0.122 0.000 2.189 221 Q HA 0.335 4.675 4.340 -0.000 0.000 0.193 221 Q C 1.856 177.896 176.000 0.067 0.000 1.034 221 Q CA -0.804 55.069 55.803 0.116 0.000 1.062 221 Q CB 0.768 29.596 28.738 0.150 0.000 1.118 221 Q HN 0.474 nan 8.270 nan 0.000 0.569 222 M N 0.879 120.515 119.600 0.060 0.000 2.337 222 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 222 M C 1.275 177.591 176.300 0.027 0.000 1.067 222 M CA 1.622 56.943 55.300 0.036 0.000 1.074 222 M CB -0.465 32.155 32.600 0.033 0.000 1.395 222 M HN 0.598 nan 8.290 nan 0.000 0.431 223 N N -0.683 118.036 118.700 0.031 0.000 2.383 223 N HA 0.025 4.765 4.740 -0.000 0.000 0.192 223 N C -0.222 175.300 175.510 0.020 0.000 1.141 223 N CA -0.152 52.912 53.050 0.023 0.000 0.851 223 N CB 0.306 38.806 38.487 0.021 0.000 0.976 223 N HN 0.195 nan 8.380 nan 0.000 0.465 224 E N 1.837 122.050 120.200 0.022 0.000 2.214 224 E HA 0.300 4.650 4.350 -0.000 0.000 0.274 224 E C -2.368 174.238 176.600 0.010 0.000 0.977 224 E CA -2.138 54.273 56.400 0.019 0.000 0.827 224 E CB 1.580 31.296 29.700 0.026 0.000 1.130 224 E HN 0.159 nan 8.360 nan 0.000 0.394 225 P HA 0.008 nan 4.420 nan 0.000 0.268 225 P C -1.967 175.330 177.300 -0.006 0.000 1.208 225 P CA -0.958 62.142 63.100 -0.000 0.000 0.777 225 P CB 0.170 31.871 31.700 0.002 0.000 0.875 226 P HA -0.211 nan 4.420 nan 0.000 0.216 226 P C 1.646 178.928 177.300 -0.029 0.000 1.150 226 P CA 2.063 65.144 63.100 -0.032 0.000 0.843 226 P CB -0.657 31.017 31.700 -0.043 0.000 0.787 227 G N 0.466 109.257 108.800 -0.015 0.000 2.418 227 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 227 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 227 G C 1.839 176.746 174.900 0.010 0.000 1.158 227 G CA 1.133 46.231 45.100 -0.004 0.000 0.771 227 G HN 0.382 nan 8.290 nan 0.000 0.545 228 A N 0.572 123.399 122.820 0.013 0.000 1.902 228 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 228 A C 2.422 180.019 177.584 0.021 0.000 1.181 228 A CA 1.571 53.621 52.037 0.021 0.000 0.623 228 A CB -0.357 18.657 19.000 0.022 0.000 0.818 228 A HN 0.344 nan 8.150 nan 0.000 0.443 229 R N -0.798 119.708 120.500 0.010 0.000 2.148 229 R HA 0.027 4.367 4.340 -0.000 0.000 0.223 229 R C 2.184 178.495 176.300 0.019 0.000 1.088 229 R CA 0.914 57.019 56.100 0.008 0.000 0.985 229 R CB -0.271 30.021 30.300 -0.013 0.000 0.880 229 R HN 0.500 nan 8.270 nan 0.000 0.451 230 A N 0.328 123.147 122.820 -0.003 0.000 2.167 230 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 230 A C 1.657 179.321 177.584 0.133 0.000 1.151 230 A CA 0.825 52.851 52.037 -0.017 0.000 0.735 230 A CB 0.147 19.083 19.000 -0.106 0.000 0.802 230 A HN 0.040 nan 8.150 nan 0.000 0.467 231 R N -1.097 119.459 120.500 0.093 0.000 2.342 231 R HA 0.082 4.422 4.340 -0.000 0.000 0.204 231 R C 1.865 178.179 176.300 0.024 0.000 0.882 231 R CA 1.204 57.349 56.100 0.075 0.000 1.041 231 R CB -0.995 29.335 30.300 0.051 0.000 1.188 231 R HN 0.443 nan 8.270 nan 0.000 0.598 232 V N -0.315 119.612 119.914 0.021 0.000 2.469 232 V HA -0.125 3.995 4.120 -0.000 0.000 0.251 232 V C 2.310 178.368 176.094 -0.060 0.000 1.064 232 V CA 1.899 64.190 62.300 -0.016 0.000 1.066 232 V CB -1.299 30.517 31.823 -0.010 0.000 0.667 232 V HN 0.128 nan 8.190 nan 0.000 0.461 233 A N 0.545 123.328 122.820 -0.062 0.000 1.969 233 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 233 A C 2.236 179.708 177.584 -0.186 0.000 1.169 233 A CA 1.829 53.775 52.037 -0.152 0.000 0.635 233 A CB -0.521 18.347 19.000 -0.220 0.000 0.810 233 A HN 0.558 nan 8.150 nan 0.000 0.445 234 L N -0.923 120.206 121.223 -0.158 0.000 2.217 234 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 234 L C 2.583 179.365 176.870 -0.147 0.000 1.107 234 L CA 1.477 56.205 54.840 -0.186 0.000 0.783 234 L CB -0.834 41.086 42.059 -0.231 0.000 0.919 234 L HN 0.339 nan 8.230 nan 0.000 0.442 235 T N -0.190 114.300 114.554 -0.107 0.000 2.732 235 T HA -0.074 4.276 4.350 -0.000 0.000 0.261 235 T C 1.910 176.560 174.700 -0.083 0.000 1.040 235 T CA 1.271 63.323 62.100 -0.080 0.000 1.145 235 T CB -0.462 68.377 68.868 -0.048 0.000 0.866 235 T HN 0.500 nan 8.240 nan 0.000 0.427 236 G N 2.650 111.394 108.800 -0.093 0.000 2.514 236 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 236 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 236 G C 1.539 176.388 174.900 -0.084 0.000 1.198 236 G CA 1.465 46.511 45.100 -0.090 0.000 0.780 236 G HN 0.589 nan 8.290 nan 0.000 0.565 237 L N -1.128 120.027 121.223 -0.113 0.000 2.362 237 L HA 0.215 4.555 4.340 -0.000 0.000 0.219 237 L C 2.380 179.203 176.870 -0.078 0.000 1.134 237 L CA 2.246 57.025 54.840 -0.102 0.000 0.807 237 L CB -1.060 40.915 42.059 -0.140 0.000 0.927 237 L HN 0.022 nan 8.230 nan 0.000 0.447 238 T N -0.137 114.366 114.554 -0.086 0.000 2.812 238 T HA -0.068 4.282 4.350 -0.000 0.000 0.264 238 T C 1.980 176.626 174.700 -0.090 0.000 1.042 238 T CA 1.664 63.719 62.100 -0.075 0.000 1.140 238 T CB -0.278 68.544 68.868 -0.076 0.000 0.870 238 T HN 0.236 nan 8.240 nan 0.000 0.445 239 V N 1.794 121.639 119.914 -0.114 0.000 2.392 239 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 239 V C 2.782 178.790 176.094 -0.143 0.000 1.059 239 V CA 1.707 63.892 62.300 -0.191 0.000 1.051 239 V CB -1.080 30.680 31.823 -0.106 0.000 0.658 239 V HN 0.515 nan 8.190 nan 0.000 0.455 240 A N -0.937 121.886 122.820 0.004 0.000 2.067 240 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 240 A C 2.196 179.832 177.584 0.085 0.000 1.156 240 A CA 1.228 53.332 52.037 0.113 0.000 0.683 240 A CB -0.289 18.745 19.000 0.055 0.000 0.808 240 A HN 0.586 nan 8.150 nan 0.000 0.455 241 E N -1.644 118.566 120.200 0.017 0.000 2.076 241 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 241 E C 1.720 178.339 176.600 0.032 0.000 0.979 241 E CA 1.034 57.444 56.400 0.016 0.000 0.807 241 E CB -0.231 29.465 29.700 -0.007 0.000 0.761 241 E HN 0.775 nan 8.360 nan 0.000 0.454 242 Y N 0.348 120.569 120.300 -0.132 0.000 2.114 242 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 242 Y C 1.764 177.647 175.900 -0.028 0.000 1.143 242 Y CA 1.715 59.724 58.100 -0.151 0.000 1.135 242 Y CB -0.354 37.916 38.460 -0.317 0.000 0.980 242 Y HN 0.003 nan 8.280 nan 0.000 0.499 243 F N -0.006 120.088 119.950 0.240 0.000 2.250 243 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 243 F C 2.715 178.545 175.800 0.051 0.000 1.077 243 F CA 1.138 59.255 58.000 0.196 0.000 1.348 243 F CB -0.252 38.921 39.000 0.288 0.000 1.040 243 F HN 0.017 nan 8.300 nan 0.000 0.509 244 R N 0.268 120.878 120.500 0.183 0.000 2.119 244 R HA -0.110 4.230 4.340 -0.000 0.000 0.222 244 R C 1.086 177.385 176.300 -0.002 0.000 1.088 244 R CA 1.612 57.758 56.100 0.076 0.000 0.984 244 R CB -0.013 30.316 30.300 0.048 0.000 0.884 244 R HN 0.217 nan 8.270 nan 0.000 0.447 245 D N -0.799 119.561 120.400 -0.066 0.000 2.725 245 D HA -0.018 4.622 4.640 -0.000 0.000 0.269 245 D C 1.300 177.488 176.300 -0.186 0.000 1.018 245 D CA 0.457 54.392 54.000 -0.109 0.000 0.956 245 D CB -0.087 40.655 40.800 -0.098 0.000 1.141 245 D HN 0.031 nan 8.370 nan 0.000 0.478 246 Q N 0.599 120.158 119.800 -0.402 0.000 2.365 246 Q HA 0.116 4.456 4.340 -0.000 0.000 0.203 246 Q C 0.603 176.379 176.000 -0.373 0.000 0.929 246 Q CA 0.564 56.063 55.803 -0.506 0.000 0.948 246 Q CB 0.875 29.074 28.738 -0.898 0.000 1.043 246 Q HN 0.399 nan 8.270 nan 0.000 0.505 247 E N -1.168 118.922 120.200 -0.183 0.000 2.505 247 E HA 0.130 4.480 4.350 -0.000 0.000 0.212 247 E C 0.995 177.596 176.600 0.002 0.000 0.825 247 E CA 0.635 57.045 56.400 0.017 0.000 1.333 247 E CB 0.661 30.511 29.700 0.250 0.000 1.319 247 E HN 0.285 nan 8.360 nan 0.000 0.658 248 G N 2.492 111.285 108.800 -0.012 0.000 2.175 248 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.265 248 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.265 248 G C 0.516 175.408 174.900 -0.013 0.000 0.979 248 G CA 1.185 46.276 45.100 -0.016 0.000 0.663 248 G HN 0.258 nan 8.290 nan 0.000 0.533 249 Q N -0.157 119.636 119.800 -0.012 0.000 2.397 249 Q HA 0.365 4.705 4.340 -0.000 0.000 0.193 249 Q C -0.304 175.685 176.000 -0.019 0.000 1.083 249 Q CA -0.410 55.354 55.803 -0.064 0.000 1.108 249 Q CB 0.284 28.910 28.738 -0.187 0.000 1.172 249 Q HN 0.369 nan 8.270 nan 0.000 0.617 250 D N 0.207 120.590 120.400 -0.029 0.000 2.371 250 D HA 0.178 4.818 4.640 -0.000 0.000 0.256 250 D C -1.290 175.116 176.300 0.177 0.000 1.193 250 D CA 0.228 54.279 54.000 0.086 0.000 0.881 250 D CB 0.720 41.588 40.800 0.113 0.000 1.143 250 D HN 0.011 nan 8.370 nan 0.000 0.473 251 V N 3.959 123.944 119.914 0.118 0.000 2.540 251 V HA 0.353 4.473 4.120 -0.000 0.000 0.302 251 V C 0.058 176.116 176.094 -0.060 0.000 1.035 251 V CA -0.897 61.457 62.300 0.090 0.000 0.873 251 V CB 1.564 33.469 31.823 0.137 0.000 0.992 251 V HN 0.399 nan 8.190 nan 0.000 0.428 252 L N 4.815 125.955 121.223 -0.139 0.000 2.325 252 L HA 0.605 4.945 4.340 -0.000 0.000 0.279 252 L C -0.722 176.033 176.870 -0.192 0.000 1.054 252 L CA -0.551 54.128 54.840 -0.268 0.000 0.804 252 L CB 1.647 43.545 42.059 -0.268 0.000 1.200 252 L HN 0.484 nan 8.230 nan 0.000 0.436 253 L N 3.598 124.581 121.223 -0.399 0.000 2.404 253 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 253 L C -1.406 175.149 176.870 -0.525 0.000 0.980 253 L CA 0.085 54.749 54.840 -0.293 0.000 0.836 253 L CB 1.200 43.142 42.059 -0.195 0.000 1.238 253 L HN 0.195 nan 8.230 nan 0.000 0.408 254 F N 5.920 125.771 119.950 -0.166 0.000 2.444 254 F HA 0.630 5.157 4.527 -0.000 0.000 0.342 254 F C -0.007 175.456 175.800 -0.560 0.000 1.121 254 F CA -0.471 57.355 58.000 -0.290 0.000 0.997 254 F CB 1.478 40.387 39.000 -0.153 0.000 1.130 254 F HN 0.214 nan 8.300 nan 0.000 0.454 255 I N 2.888 123.269 120.570 -0.315 0.000 2.439 255 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 255 I C -1.340 174.611 176.117 -0.277 0.000 1.021 255 I CA -0.493 60.581 61.300 -0.376 0.000 1.091 255 I CB 1.847 39.683 38.000 -0.274 0.000 1.242 255 I HN 0.428 nan 8.210 nan 0.000 0.439 256 D N 6.225 126.440 120.400 -0.308 0.000 2.542 256 D HA 0.280 4.920 4.640 -0.000 0.000 0.252 256 D C -1.228 175.047 176.300 -0.041 0.000 1.222 256 D CA -0.276 53.676 54.000 -0.080 0.000 0.895 256 D CB 1.325 42.171 40.800 0.076 0.000 1.207 256 D HN 0.388 nan 8.370 nan 0.000 0.558 257 N N 4.027 122.730 118.700 0.005 0.000 2.284 257 N HA 0.209 4.949 4.740 -0.000 0.000 0.300 257 N C 0.454 175.983 175.510 0.031 0.000 1.047 257 N CA -0.500 52.572 53.050 0.036 0.000 0.821 257 N CB 1.768 40.330 38.487 0.124 0.000 1.337 257 N HN 0.352 nan 8.380 nan 0.000 0.482 258 I N 3.474 124.044 120.570 -0.001 0.000 2.928 258 I HA -0.026 4.144 4.170 -0.000 0.000 0.266 258 I C 1.677 177.853 176.117 0.099 0.000 1.234 258 I CA 0.468 61.757 61.300 -0.018 0.000 1.483 258 I CB -0.443 37.483 38.000 -0.124 0.000 1.097 258 I HN 0.601 nan 8.210 nan 0.000 0.455 259 F N 1.729 121.700 119.950 0.034 0.000 2.161 259 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 259 F C 2.110 177.987 175.800 0.130 0.000 1.089 259 F CA 1.456 59.521 58.000 0.108 0.000 1.282 259 F CB -0.334 38.779 39.000 0.189 0.000 1.010 259 F HN -0.032 nan 8.300 nan 0.000 0.485 260 R N 0.003 120.464 120.500 -0.066 0.000 2.369 260 R HA -0.120 4.220 4.340 -0.000 0.000 0.200 260 R C 1.641 177.874 176.300 -0.112 0.000 1.046 260 R CA 0.707 56.702 56.100 -0.175 0.000 1.057 260 R CB -1.593 28.702 30.300 -0.009 0.000 0.888 260 R HN 0.533 nan 8.270 nan 0.000 0.474 261 F N -0.111 119.706 119.950 -0.221 0.000 2.622 261 F HA 0.096 4.623 4.527 -0.000 0.000 0.288 261 F C 1.663 177.362 175.800 -0.169 0.000 1.120 261 F CA 0.556 58.460 58.000 -0.160 0.000 1.423 261 F CB 0.298 39.222 39.000 -0.126 0.000 1.127 261 F HN -0.208 nan 8.300 nan 0.000 0.588 262 T N 0.368 114.775 114.554 -0.245 0.000 2.735 262 T HA -0.159 4.191 4.350 -0.000 0.000 0.256 262 T C 1.862 176.383 174.700 -0.297 0.000 1.042 262 T CA 1.460 63.394 62.100 -0.277 0.000 1.147 262 T CB -0.368 68.436 68.868 -0.106 0.000 0.865 262 T HN 0.343 nan 8.240 nan 0.000 0.421 263 Q N 0.742 120.215 119.800 -0.544 0.000 2.077 263 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 263 Q C 2.450 178.305 176.000 -0.243 0.000 0.989 263 Q CA 1.876 57.423 55.803 -0.428 0.000 0.853 263 Q CB -0.336 27.967 28.738 -0.724 0.000 0.907 263 Q HN 0.517 nan 8.270 nan 0.000 0.418 264 A N 0.401 123.064 122.820 -0.261 0.000 1.883 264 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 264 A C 2.306 179.778 177.584 -0.186 0.000 1.186 264 A CA 1.826 53.752 52.037 -0.184 0.000 0.624 264 A CB -1.442 17.459 19.000 -0.165 0.000 0.822 264 A HN 0.624 nan 8.150 nan 0.000 0.444 265 G N -0.487 108.150 108.800 -0.272 0.000 2.442 265 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 265 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 265 G C 1.884 176.705 174.900 -0.132 0.000 1.141 265 G CA 1.779 46.732 45.100 -0.245 0.000 0.763 265 G HN 0.941 nan 8.290 nan 0.000 0.554 266 S N -0.238 115.402 115.700 -0.099 0.000 2.562 266 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 266 S C 1.808 176.368 174.600 -0.067 0.000 0.975 266 S CA 0.968 59.138 58.200 -0.049 0.000 0.918 266 S CB -0.033 63.165 63.200 -0.002 0.000 0.772 266 S HN 0.523 nan 8.310 nan 0.000 0.531 267 E N 0.671 120.825 120.200 -0.078 0.000 2.285 267 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 267 E C 1.662 178.234 176.600 -0.047 0.000 0.997 267 E CA 1.223 57.587 56.400 -0.060 0.000 0.845 267 E CB 0.220 29.884 29.700 -0.060 0.000 0.782 267 E HN 0.683 nan 8.360 nan 0.000 0.491 268 V N -2.984 116.900 119.914 -0.050 0.000 3.528 268 V HA 0.185 4.305 4.120 -0.000 0.000 0.294 268 V C 1.831 177.906 176.094 -0.030 0.000 1.404 268 V CA 0.400 62.678 62.300 -0.037 0.000 1.065 268 V CB 0.792 32.593 31.823 -0.037 0.000 0.904 268 V HN 0.010 nan 8.190 nan 0.000 0.435 269 S N 1.631 117.312 115.700 -0.033 0.000 2.356 269 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 269 S C 2.166 176.758 174.600 -0.013 0.000 1.032 269 S CA 2.213 60.399 58.200 -0.022 0.000 1.005 269 S CB -0.299 62.892 63.200 -0.016 0.000 0.867 269 S HN 0.996 nan 8.310 nan 0.000 0.449 270 A N 1.553 124.364 122.820 -0.014 0.000 1.873 270 A HA 0.111 4.431 4.320 -0.000 0.000 0.215 270 A C 2.080 179.660 177.584 -0.007 0.000 1.186 270 A CA 1.324 53.355 52.037 -0.009 0.000 0.616 270 A CB -0.897 18.097 19.000 -0.011 0.000 0.823 270 A HN 0.576 nan 8.150 nan 0.000 0.442 271 L N -0.518 120.700 121.223 -0.009 0.000 2.551 271 L HA -0.102 4.238 4.340 -0.000 0.000 0.230 271 L C 1.755 178.624 176.870 -0.003 0.000 1.163 271 L CA 0.450 55.287 54.840 -0.006 0.000 0.826 271 L CB -0.411 41.643 42.059 -0.008 0.000 0.943 271 L HN 0.378 nan 8.230 nan 0.000 0.452 272 L N -0.832 120.388 121.223 -0.004 0.000 2.616 272 L HA 0.225 4.565 4.340 -0.000 0.000 0.229 272 L C 1.185 178.056 176.870 0.003 0.000 1.110 272 L CA 0.419 55.259 54.840 -0.000 0.000 0.884 272 L CB 0.179 42.235 42.059 -0.005 0.000 1.115 272 L HN 0.412 nan 8.230 nan 0.000 0.481 273 G N 1.468 110.269 108.800 0.002 0.000 2.207 273 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 273 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 273 G C -0.118 174.785 174.900 0.005 0.000 1.053 273 G CA -0.453 44.650 45.100 0.004 0.000 0.764 273 G HN 0.342 nan 8.290 nan 0.000 0.495 274 R N -0.592 119.910 120.500 0.004 0.000 2.562 274 R HA 0.646 4.986 4.340 -0.000 0.000 0.298 274 R C 0.573 176.878 176.300 0.008 0.000 0.961 274 R CA -1.094 55.010 56.100 0.007 0.000 0.881 274 R CB 1.614 31.918 30.300 0.007 0.000 1.159 274 R HN 0.248 nan 8.270 nan 0.000 0.450 275 I N 4.425 125.001 120.570 0.011 0.000 2.683 275 I HA 0.043 4.213 4.170 -0.000 0.000 0.286 275 I C -1.572 174.556 176.117 0.018 0.000 1.175 275 I CA -1.455 59.853 61.300 0.013 0.000 1.429 275 I CB 0.099 38.107 38.000 0.014 0.000 1.371 275 I HN 0.289 nan 8.210 nan 0.000 0.569 276 P HA 0.024 nan 4.420 nan 0.000 0.268 276 P C -0.191 177.134 177.300 0.041 0.000 1.205 276 P CA -0.094 63.022 63.100 0.026 0.000 0.771 276 P CB 1.177 32.885 31.700 0.012 0.000 0.858 277 S N 2.174 117.913 115.700 0.065 0.000 2.477 277 S HA 0.527 4.997 4.470 -0.000 0.000 0.261 277 S C 0.245 174.902 174.600 0.095 0.000 1.197 277 S CA -0.229 58.018 58.200 0.078 0.000 1.015 277 S CB -0.055 63.201 63.200 0.092 0.000 1.077 277 S HN 0.598 nan 8.310 nan 0.000 0.505 278 A N 0.075 122.962 122.820 0.112 0.000 2.425 278 A HA 0.487 4.807 4.320 -0.000 0.000 0.249 278 A C 0.811 178.506 177.584 0.186 0.000 1.084 278 A CA 0.156 52.264 52.037 0.119 0.000 0.781 278 A CB -0.509 18.552 19.000 0.102 0.000 1.019 278 A HN 1.640 nan 8.150 nan 0.000 0.490 279 V N 1.263 121.256 119.914 0.132 0.000 4.868 279 V HA -0.292 3.828 4.120 -0.000 0.000 0.274 279 V C 1.775 177.858 176.094 -0.019 0.000 0.450 279 V CA 1.563 63.935 62.300 0.120 0.000 0.773 279 V CB -2.517 29.454 31.823 0.247 0.000 0.704 279 V HN 2.904 nan 8.190 nan 0.000 1.326 280 G N -2.281 106.503 108.800 -0.026 0.000 2.284 280 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.247 280 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.247 280 G C 0.031 174.861 174.900 -0.117 0.000 1.012 280 G CA 0.325 45.355 45.100 -0.117 0.000 0.618 280 G HN 0.917 nan 8.290 nan 0.000 0.521 281 Y N 2.816 123.142 120.300 0.043 0.000 2.550 281 Y HA 0.320 4.870 4.550 -0.000 0.000 0.343 281 Y C 1.487 177.395 175.900 0.013 0.000 1.245 281 Y CA 0.294 58.414 58.100 0.032 0.000 1.462 281 Y CB 0.433 38.924 38.460 0.052 0.000 1.340 281 Y HN 0.431 nan 8.280 nan 0.000 0.604 282 Q N 4.467 124.377 119.800 0.183 0.000 2.337 282 Q HA 0.037 4.377 4.340 -0.000 0.000 0.270 282 Q C -2.266 173.786 176.000 0.086 0.000 1.002 282 Q CA -1.653 54.203 55.803 0.088 0.000 0.888 282 Q CB 0.826 29.587 28.738 0.038 0.000 1.222 282 Q HN 0.414 nan 8.270 nan 0.000 0.400 283 P HA -0.130 nan 4.420 nan 0.000 0.223 283 P C 0.819 178.142 177.300 0.039 0.000 1.144 283 P CA 1.558 64.688 63.100 0.049 0.000 0.783 283 P CB -0.108 31.613 31.700 0.035 0.000 0.771 284 T N -4.135 110.438 114.554 0.031 0.000 3.235 284 T HA 0.165 4.515 4.350 -0.000 0.000 0.251 284 T C 1.510 176.227 174.700 0.028 0.000 1.060 284 T CA -0.372 61.743 62.100 0.026 0.000 0.949 284 T CB -0.942 67.934 68.868 0.014 0.000 1.020 284 T HN -0.045 nan 8.240 nan 0.000 0.564 285 L N 1.119 122.360 121.223 0.031 0.000 1.963 285 L HA -0.160 4.180 4.340 -0.000 0.000 0.220 285 L C 2.876 179.773 176.870 0.045 0.000 1.076 285 L CA 2.189 57.039 54.840 0.018 0.000 0.772 285 L CB -0.766 41.282 42.059 -0.018 0.000 0.892 285 L HN 0.431 nan 8.230 nan 0.000 0.435 286 A N -1.118 121.735 122.820 0.054 0.000 1.930 286 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 286 A C 2.254 179.902 177.584 0.108 0.000 1.175 286 A CA 2.137 54.227 52.037 0.089 0.000 0.627 286 A CB -0.995 18.050 19.000 0.075 0.000 0.815 286 A HN 0.669 nan 8.150 nan 0.000 0.443 287 T N -2.596 112.007 114.554 0.082 0.000 2.937 287 T HA -0.071 4.279 4.350 -0.000 0.000 0.260 287 T C 1.373 176.132 174.700 0.100 0.000 1.051 287 T CA 1.122 63.271 62.100 0.083 0.000 1.141 287 T CB -0.390 68.513 68.868 0.058 0.000 0.879 287 T HN 0.291 nan 8.240 nan 0.000 0.459 288 D N 1.158 121.622 120.400 0.106 0.000 2.116 288 D HA -0.083 4.557 4.640 -0.000 0.000 0.193 288 D C 2.005 178.472 176.300 0.277 0.000 0.998 288 D CA 1.138 55.243 54.000 0.174 0.000 0.836 288 D CB -0.418 40.430 40.800 0.080 0.000 0.951 288 D HN 0.324 nan 8.370 nan 0.000 0.449 289 M N 0.338 120.069 119.600 0.218 0.000 2.065 289 M HA -0.137 4.343 4.480 -0.000 0.000 0.259 289 M C 2.168 178.435 176.300 -0.056 0.000 1.069 289 M CA 2.088 57.439 55.300 0.084 0.000 1.110 289 M CB -0.488 32.143 32.600 0.052 0.000 1.328 289 M HN 0.085 nan 8.290 nan 0.000 0.405 290 G N -0.452 108.393 108.800 0.076 0.000 2.553 290 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 290 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 290 G C 1.330 176.265 174.900 0.057 0.000 1.195 290 G CA 1.940 47.120 45.100 0.133 0.000 0.779 290 G HN 0.590 nan 8.290 nan 0.000 0.577 291 T N -2.064 112.524 114.554 0.056 0.000 3.051 291 T HA 0.069 4.419 4.350 -0.000 0.000 0.269 291 T C 2.065 176.761 174.700 -0.007 0.000 1.127 291 T CA 1.487 63.613 62.100 0.042 0.000 1.107 291 T CB 0.013 68.923 68.868 0.071 0.000 0.898 291 T HN 0.190 nan 8.240 nan 0.000 0.517 292 M N 0.130 119.686 119.600 -0.073 0.000 2.384 292 M HA 0.132 4.612 4.480 -0.000 0.000 0.258 292 M C 2.213 178.361 176.300 -0.253 0.000 1.130 292 M CA 1.027 56.192 55.300 -0.225 0.000 1.187 292 M CB -0.375 31.925 32.600 -0.501 0.000 1.307 292 M HN 0.123 nan 8.290 nan 0.000 0.468 293 Q N 0.654 120.280 119.800 -0.290 0.000 2.124 293 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 293 Q C 1.698 177.628 176.000 -0.117 0.000 0.977 293 Q CA 1.233 56.864 55.803 -0.287 0.000 0.850 293 Q CB -0.361 28.040 28.738 -0.563 0.000 0.901 293 Q HN 0.566 nan 8.270 nan 0.000 0.429 294 E N 0.399 120.577 120.200 -0.038 0.000 2.401 294 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 294 E C 1.806 178.401 176.600 -0.008 0.000 1.023 294 E CA 0.442 56.858 56.400 0.026 0.000 0.859 294 E CB 0.039 29.777 29.700 0.063 0.000 0.780 294 E HN 0.268 nan 8.360 nan 0.000 0.523 295 R N 0.061 120.533 120.500 -0.048 0.000 2.127 295 R HA 0.112 4.452 4.340 -0.000 0.000 0.217 295 R C 0.960 177.221 176.300 -0.065 0.000 1.074 295 R CA 0.207 56.276 56.100 -0.053 0.000 0.991 295 R CB 0.166 30.424 30.300 -0.071 0.000 0.895 295 R HN 0.049 nan 8.270 nan 0.000 0.450 296 I N 1.713 122.228 120.570 -0.092 0.000 2.357 296 I HA 0.015 4.185 4.170 -0.000 0.000 0.300 296 I C -0.024 176.053 176.117 -0.067 0.000 1.159 296 I CA 0.522 61.764 61.300 -0.097 0.000 1.339 296 I CB 0.432 38.347 38.000 -0.141 0.000 1.458 296 I HN -0.048 nan 8.210 nan 0.000 0.577 297 T N 3.085 117.609 114.554 -0.050 0.000 2.886 297 T HA 0.223 4.573 4.350 -0.000 0.000 0.330 297 T C -0.451 174.230 174.700 -0.032 0.000 1.488 297 T CA -0.459 61.620 62.100 -0.035 0.000 1.054 297 T CB 1.505 70.364 68.868 -0.015 0.000 1.348 297 T HN 0.336 nan 8.240 nan 0.000 0.489 298 T N 3.740 118.275 114.554 -0.031 0.000 2.814 298 T HA 0.501 4.851 4.350 -0.000 0.000 0.297 298 T C 0.829 175.512 174.700 -0.028 0.000 0.956 298 T CA -0.096 61.988 62.100 -0.027 0.000 1.123 298 T CB 0.538 69.389 68.868 -0.027 0.000 0.902 298 T HN 0.820 nan 8.240 nan 0.000 0.528 299 T N 1.054 115.592 114.554 -0.027 0.000 2.864 299 T HA 0.460 4.810 4.350 -0.000 0.000 0.276 299 T C 1.166 175.845 174.700 -0.035 0.000 1.006 299 T CA -0.816 61.264 62.100 -0.032 0.000 0.970 299 T CB 1.041 69.893 68.868 -0.026 0.000 1.420 299 T HN 0.373 nan 8.240 nan 0.000 0.601 300 K N -0.212 120.165 120.400 -0.039 0.000 2.305 300 K HA 0.180 4.500 4.320 -0.000 0.000 0.199 300 K C 2.271 178.853 176.600 -0.030 0.000 1.047 300 K CA 0.337 56.602 56.287 -0.038 0.000 0.976 300 K CB 0.056 32.531 32.500 -0.043 0.000 0.765 300 K HN 0.413 nan 8.250 nan 0.000 0.474 301 K N 0.002 120.385 120.400 -0.028 0.000 2.217 301 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 301 K C 0.805 177.391 176.600 -0.024 0.000 1.051 301 K CA 0.763 57.034 56.287 -0.027 0.000 0.952 301 K CB 0.474 32.956 32.500 -0.030 0.000 0.736 301 K HN 0.209 nan 8.250 nan 0.000 0.453 302 G N -0.557 108.231 108.800 -0.019 0.000 2.342 302 G HA2 0.172 4.132 3.960 -0.000 0.000 0.297 302 G HA3 0.172 4.132 3.960 -0.000 0.000 0.297 302 G C -1.648 173.248 174.900 -0.006 0.000 1.313 302 G CA -0.606 44.488 45.100 -0.010 0.000 0.830 302 G HN -0.095 nan 8.290 nan 0.000 0.506 303 S N -0.855 114.847 115.700 0.004 0.000 2.500 303 S HA 0.782 5.252 4.470 -0.000 0.000 0.301 303 S C -0.690 173.913 174.600 0.005 0.000 1.092 303 S CA -0.571 57.630 58.200 0.001 0.000 1.030 303 S CB 0.822 64.026 63.200 0.007 0.000 1.031 303 S HN 0.486 nan 8.310 nan 0.000 0.483 304 I N 3.258 123.816 120.570 -0.020 0.000 2.439 304 I HA 0.257 4.427 4.170 -0.000 0.000 0.285 304 I C -0.403 175.660 176.117 -0.090 0.000 1.021 304 I CA -0.388 60.884 61.300 -0.046 0.000 1.091 304 I CB 2.247 40.219 38.000 -0.047 0.000 1.242 304 I HN 0.445 nan 8.210 nan 0.000 0.439 305 T N 4.399 118.872 114.554 -0.134 0.000 2.727 305 T HA 0.244 4.594 4.350 -0.000 0.000 0.298 305 T C 0.087 174.606 174.700 -0.302 0.000 0.942 305 T CA -0.446 61.542 62.100 -0.186 0.000 0.997 305 T CB 0.481 69.242 68.868 -0.178 0.000 0.917 305 T HN 0.643 nan 8.240 nan 0.000 0.487 306 S N 2.874 118.406 115.700 -0.280 0.000 2.456 306 S HA 0.639 5.108 4.470 -0.000 0.000 0.316 306 S C -0.382 173.998 174.600 -0.366 0.000 1.089 306 S CA -0.769 57.229 58.200 -0.335 0.000 1.101 306 S CB 0.894 63.952 63.200 -0.237 0.000 0.995 306 S HN 0.357 nan 8.310 nan 0.000 0.468 307 V N 4.043 123.679 119.914 -0.463 0.000 2.398 307 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 307 V C -0.249 175.715 176.094 -0.217 0.000 1.026 307 V CA -0.513 61.596 62.300 -0.318 0.000 0.868 307 V CB 1.245 32.952 31.823 -0.194 0.000 0.982 307 V HN 0.955 nan 8.190 nan 0.000 0.443 308 Q N 2.777 122.458 119.800 -0.198 0.000 2.309 308 Q HA 0.668 5.007 4.340 -0.000 0.000 0.270 308 Q C -0.401 175.493 176.000 -0.176 0.000 1.023 308 Q CA -0.536 55.151 55.803 -0.192 0.000 0.758 308 Q CB 2.367 30.966 28.738 -0.231 0.000 1.247 308 Q HN 0.927 nan 8.270 nan 0.000 0.455 309 A N 3.656 126.410 122.820 -0.110 0.000 2.409 309 A HA 0.494 4.814 4.320 -0.000 0.000 0.262 309 A C -0.395 177.113 177.584 -0.126 0.000 1.113 309 A CA -0.015 51.977 52.037 -0.076 0.000 0.790 309 A CB 0.014 19.024 19.000 0.017 0.000 1.046 309 A HN 0.726 nan 8.150 nan 0.000 0.496 310 I N 2.827 123.269 120.570 -0.214 0.000 2.439 310 I HA 0.171 4.341 4.170 -0.000 0.000 0.283 310 I C -0.584 175.477 176.117 -0.093 0.000 1.023 310 I CA -0.421 60.732 61.300 -0.246 0.000 1.100 310 I CB 1.292 38.847 38.000 -0.742 0.000 1.238 310 I HN 0.719 nan 8.210 nan 0.000 0.445 311 Y N 7.112 127.359 120.300 -0.089 0.000 2.425 311 Y HA 0.381 4.931 4.550 -0.000 0.000 0.331 311 Y C -0.330 175.391 175.900 -0.299 0.000 1.157 311 Y CA -0.067 57.922 58.100 -0.184 0.000 1.372 311 Y CB 0.877 39.199 38.460 -0.230 0.000 1.253 311 Y HN 0.282 nan 8.280 nan 0.000 0.536 312 V N 9.342 128.730 119.914 -0.877 0.000 2.266 312 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 312 V C -2.273 173.280 176.094 -0.902 0.000 1.032 312 V CA -2.061 59.879 62.300 -0.601 0.000 0.806 312 V CB 0.691 32.389 31.823 -0.208 0.000 1.052 312 V HN 0.731 nan 8.190 nan 0.000 0.449 313 P HA 0.134 nan 4.420 nan 0.000 0.265 313 P C 0.683 177.867 177.300 -0.193 0.000 1.193 313 P CA 0.813 63.655 63.100 -0.430 0.000 0.765 313 P CB 0.704 32.367 31.700 -0.060 0.000 0.823 314 A N 3.789 126.548 122.820 -0.102 0.000 2.826 314 A HA -0.250 4.070 4.320 -0.000 0.000 0.274 314 A C 0.779 178.327 177.584 -0.059 0.000 1.443 314 A CA 1.086 53.102 52.037 -0.036 0.000 0.833 314 A CB -2.670 16.334 19.000 0.006 0.000 1.023 314 A HN 0.604 nan 8.150 nan 0.000 0.600 315 D N -1.548 118.781 120.400 -0.118 0.000 2.811 315 D HA -0.174 4.466 4.640 -0.000 0.000 0.231 315 D C -0.304 175.963 176.300 -0.056 0.000 1.157 315 D CA 2.241 56.188 54.000 -0.089 0.000 0.716 315 D CB -1.050 39.722 40.800 -0.047 0.000 1.077 315 D HN 1.009 nan 8.370 nan 0.000 0.428 316 D N -0.329 120.037 120.400 -0.056 0.000 2.461 316 D HA 0.309 4.949 4.640 -0.000 0.000 0.240 316 D C 1.195 177.498 176.300 0.005 0.000 1.094 316 D CA -0.575 53.415 54.000 -0.016 0.000 0.868 316 D CB 0.507 41.309 40.800 0.003 0.000 1.062 316 D HN 0.009 nan 8.370 nan 0.000 0.530 317 L N 2.393 123.627 121.223 0.018 0.000 2.353 317 L HA -0.045 4.295 4.340 -0.000 0.000 0.220 317 L C 2.210 179.130 176.870 0.082 0.000 1.133 317 L CA 1.426 56.306 54.840 0.067 0.000 0.798 317 L CB -0.332 41.753 42.059 0.043 0.000 0.922 317 L HN 0.562 nan 8.230 nan 0.000 0.445 318 T N -4.696 109.883 114.554 0.041 0.000 3.129 318 T HA -0.059 4.291 4.350 -0.000 0.000 0.251 318 T C 0.755 175.495 174.700 0.067 0.000 1.117 318 T CA -0.398 61.726 62.100 0.040 0.000 1.034 318 T CB -0.348 68.527 68.868 0.012 0.000 0.968 318 T HN 0.192 nan 8.240 nan 0.000 0.526 319 D N 2.720 123.170 120.400 0.083 0.000 2.487 319 D HA 0.039 4.679 4.640 -0.000 0.000 0.243 319 D C -1.335 175.015 176.300 0.084 0.000 1.154 319 D CA -1.523 52.545 54.000 0.115 0.000 0.876 319 D CB 1.491 42.368 40.800 0.128 0.000 1.161 319 D HN 0.004 nan 8.370 nan 0.000 0.478 320 P HA -0.280 nan 4.420 nan 0.000 0.222 320 P C 0.919 178.138 177.300 -0.134 0.000 1.157 320 P CA 2.394 65.442 63.100 -0.087 0.000 0.905 320 P CB 0.074 31.637 31.700 -0.227 0.000 0.792 321 A N -0.411 122.271 122.820 -0.230 0.000 1.835 321 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 321 A C 0.021 177.678 177.584 0.122 0.000 1.199 321 A CA 2.626 54.627 52.037 -0.061 0.000 0.615 321 A CB -2.270 16.837 19.000 0.179 0.000 0.838 321 A HN 0.231 nan 8.150 nan 0.000 0.444 322 P HA -0.125 nan 4.420 nan 0.000 0.217 322 P C 1.588 179.100 177.300 0.352 0.000 1.150 322 P CA 2.006 65.279 63.100 0.287 0.000 0.832 322 P CB -0.220 31.663 31.700 0.303 0.000 0.787 323 A N -0.096 122.901 122.820 0.295 0.000 1.902 323 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 323 A C 2.270 180.044 177.584 0.316 0.000 1.181 323 A CA 2.320 54.560 52.037 0.338 0.000 0.623 323 A CB -1.932 17.165 19.000 0.162 0.000 0.818 323 A HN 0.199 nan 8.150 nan 0.000 0.443 324 T N -0.411 114.267 114.554 0.206 0.000 3.085 324 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 324 T C 1.653 176.520 174.700 0.279 0.000 1.127 324 T CA 1.503 63.718 62.100 0.192 0.000 1.103 324 T CB -0.213 68.727 68.868 0.120 0.000 0.921 324 T HN 0.564 nan 8.240 nan 0.000 0.510 325 T N 1.240 115.959 114.554 0.275 0.000 2.978 325 T HA 0.131 4.481 4.350 -0.000 0.000 0.262 325 T C 1.475 176.353 174.700 0.296 0.000 1.063 325 T CA 0.356 62.605 62.100 0.249 0.000 1.140 325 T CB -0.345 68.558 68.868 0.059 0.000 0.886 325 T HN 0.325 nan 8.240 nan 0.000 0.470 326 F N 2.289 122.443 119.950 0.339 0.000 2.063 326 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 326 F C 2.732 178.601 175.800 0.114 0.000 1.109 326 F CA 1.268 59.400 58.000 0.221 0.000 1.212 326 F CB -0.620 38.399 39.000 0.031 0.000 0.973 326 F HN 0.138 nan 8.300 nan 0.000 0.480 327 A N -1.454 121.497 122.820 0.218 0.000 2.131 327 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 327 A C 1.426 178.947 177.584 -0.106 0.000 1.158 327 A CA 1.414 53.454 52.037 0.006 0.000 0.665 327 A CB -0.984 17.951 19.000 -0.108 0.000 0.795 327 A HN 0.521 nan 8.150 nan 0.000 0.460 328 H N -1.208 117.916 119.070 0.089 0.000 2.519 328 H HA 0.409 4.965 4.556 -0.000 0.000 0.289 328 H C -0.559 174.783 175.328 0.023 0.000 1.040 328 H CA 0.207 56.277 56.048 0.038 0.000 1.165 328 H CB -0.117 29.648 29.762 0.005 0.000 1.462 328 H HN 0.333 nan 8.280 nan 0.000 0.555 329 L N -0.000 121.302 121.223 0.132 0.000 2.388 329 L HA 0.242 4.582 4.340 -0.000 0.000 0.264 329 L C 0.505 177.422 176.870 0.079 0.000 0.998 329 L CA -0.645 54.253 54.840 0.096 0.000 0.817 329 L CB 2.488 44.623 42.059 0.127 0.000 1.338 329 L HN -0.119 nan 8.230 nan 0.000 0.414 330 D N 1.092 121.517 120.400 0.043 0.000 2.338 330 D HA 0.207 4.847 4.640 -0.000 0.000 0.208 330 D C 0.298 176.634 176.300 0.061 0.000 0.997 330 D CA 0.608 54.633 54.000 0.042 0.000 0.880 330 D CB 1.050 41.860 40.800 0.017 0.000 0.980 330 D HN 0.504 nan 8.370 nan 0.000 0.509 331 A N 0.587 123.437 122.820 0.050 0.000 2.427 331 A HA 0.556 4.876 4.320 -0.000 0.000 0.298 331 A C -0.498 177.152 177.584 0.110 0.000 1.036 331 A CA -0.618 51.477 52.037 0.096 0.000 0.701 331 A CB 1.554 20.629 19.000 0.124 0.000 1.250 331 A HN -0.028 nan 8.150 nan 0.000 0.412 332 T N -0.419 114.254 114.554 0.199 0.000 2.812 332 T HA 0.699 5.049 4.350 -0.000 0.000 0.282 332 T C -0.454 174.415 174.700 0.282 0.000 0.990 332 T CA -0.424 61.841 62.100 0.275 0.000 0.960 332 T CB 1.194 70.281 68.868 0.366 0.000 0.948 332 T HN 0.519 nan 8.240 nan 0.000 0.438 333 T N 3.314 118.051 114.554 0.305 0.000 2.770 333 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 333 T C -0.295 174.582 174.700 0.295 0.000 0.988 333 T CA -0.611 61.661 62.100 0.287 0.000 0.957 333 T CB 1.131 70.191 68.868 0.319 0.000 0.930 333 T HN 0.640 nan 8.240 nan 0.000 0.443 334 V N 5.541 125.592 119.914 0.230 0.000 2.313 334 V HA 0.309 4.429 4.120 -0.000 0.000 0.278 334 V C -0.184 175.998 176.094 0.148 0.000 1.017 334 V CA -0.976 61.451 62.300 0.211 0.000 0.823 334 V CB 0.968 32.875 31.823 0.140 0.000 1.010 334 V HN 0.664 nan 8.190 nan 0.000 0.443 335 L N 3.357 124.670 121.223 0.151 0.000 2.453 335 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 335 L C 0.518 177.428 176.870 0.066 0.000 1.179 335 L CA 0.656 55.558 54.840 0.103 0.000 0.813 335 L CB 1.365 43.491 42.059 0.112 0.000 1.110 335 L HN 0.726 nan 8.230 nan 0.000 0.466 336 S N 1.028 116.746 115.700 0.030 0.000 2.572 336 S HA 0.374 4.844 4.470 -0.000 0.000 0.274 336 S C 0.733 175.322 174.600 -0.018 0.000 1.150 336 S CA -0.702 57.501 58.200 0.006 0.000 0.944 336 S CB 1.328 64.528 63.200 -0.001 0.000 1.071 336 S HN 0.692 nan 8.310 nan 0.000 0.479 337 R N 3.179 123.671 120.500 -0.013 0.000 2.081 337 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 337 R C 2.140 178.420 176.300 -0.034 0.000 1.131 337 R CA 1.836 57.926 56.100 -0.018 0.000 0.960 337 R CB -0.642 29.655 30.300 -0.005 0.000 0.856 337 R HN 0.771 nan 8.270 nan 0.000 0.436 338 A N 0.943 123.746 122.820 -0.029 0.000 1.986 338 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 338 A C 2.056 179.613 177.584 -0.046 0.000 1.171 338 A CA 1.499 53.516 52.037 -0.032 0.000 0.640 338 A CB -0.446 18.538 19.000 -0.027 0.000 0.811 338 A HN 0.387 nan 8.150 nan 0.000 0.451 339 I N -1.059 119.476 120.570 -0.059 0.000 2.480 339 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 339 I C 2.841 178.852 176.117 -0.178 0.000 1.124 339 I CA 0.789 62.038 61.300 -0.084 0.000 1.444 339 I CB -0.372 37.590 38.000 -0.062 0.000 1.098 339 I HN 0.319 nan 8.210 nan 0.000 0.428 340 A N 1.617 124.308 122.820 -0.215 0.000 1.930 340 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 340 A C 2.201 179.630 177.584 -0.258 0.000 1.175 340 A CA 1.716 53.510 52.037 -0.405 0.000 0.627 340 A CB -0.640 18.229 19.000 -0.219 0.000 0.815 340 A HN 0.629 nan 8.150 nan 0.000 0.443 341 E N -0.008 120.126 120.200 -0.110 0.000 2.418 341 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 341 E C 1.421 177.997 176.600 -0.040 0.000 1.026 341 E CA 0.669 57.043 56.400 -0.043 0.000 0.862 341 E CB -0.323 29.364 29.700 -0.020 0.000 0.799 341 E HN 0.590 nan 8.360 nan 0.000 0.518 342 L N 0.017 121.199 121.223 -0.069 0.000 2.509 342 L HA 0.252 4.592 4.340 -0.000 0.000 0.222 342 L C 1.443 178.288 176.870 -0.042 0.000 1.123 342 L CA 0.494 55.303 54.840 -0.050 0.000 0.856 342 L CB 0.090 42.124 42.059 -0.042 0.000 0.985 342 L HN 0.492 nan 8.230 nan 0.000 0.456 343 G N 0.386 109.152 108.800 -0.056 0.000 2.144 343 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 343 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 343 G C 0.154 175.133 174.900 0.132 0.000 0.988 343 G CA -0.591 44.556 45.100 0.078 0.000 0.659 343 G HN 0.117 nan 8.290 nan 0.000 0.522 344 I N 1.404 121.914 120.570 -0.101 0.000 2.291 344 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 344 I C -0.102 175.825 176.117 -0.317 0.000 1.064 344 I CA -0.469 60.809 61.300 -0.038 0.000 1.269 344 I CB -0.319 37.677 38.000 -0.007 0.000 1.418 344 I HN 0.100 nan 8.210 nan 0.000 0.485 345 Y N 7.468 127.757 120.300 -0.018 0.000 2.409 345 Y HA 0.402 4.952 4.550 -0.000 0.000 0.343 345 Y C -2.034 173.709 175.900 -0.261 0.000 0.973 345 Y CA -2.389 55.625 58.100 -0.144 0.000 1.064 345 Y CB 2.151 40.502 38.460 -0.181 0.000 1.207 345 Y HN 0.407 nan 8.280 nan 0.000 0.452 346 P HA 0.113 nan 4.420 nan 0.000 0.275 346 P C -0.464 176.835 177.300 -0.002 0.000 1.227 346 P CA -0.285 62.801 63.100 -0.023 0.000 0.781 346 P CB 1.308 33.007 31.700 -0.002 0.000 0.906 347 A N 3.683 126.492 122.820 -0.019 0.000 2.604 347 A HA 0.170 4.490 4.320 -0.000 0.000 0.248 347 A C 0.594 178.184 177.584 0.010 0.000 1.466 347 A CA -0.210 51.782 52.037 -0.075 0.000 1.222 347 A CB -1.290 17.624 19.000 -0.144 0.000 0.945 347 A HN 0.390 nan 8.150 nan 0.000 0.600 348 V N 1.030 120.970 119.914 0.044 0.000 2.655 348 V HA 0.014 4.134 4.120 -0.000 0.000 0.300 348 V C 0.369 176.490 176.094 0.044 0.000 1.044 348 V CA -0.142 62.200 62.300 0.070 0.000 1.095 348 V CB 1.036 32.914 31.823 0.092 0.000 0.952 348 V HN 0.597 nan 8.190 nan 0.000 0.485 349 D N 7.410 127.839 120.400 0.047 0.000 2.339 349 D HA 0.241 4.881 4.640 -0.000 0.000 0.241 349 D C -1.228 175.086 176.300 0.023 0.000 1.183 349 D CA -2.116 51.900 54.000 0.027 0.000 0.859 349 D CB 1.641 42.453 40.800 0.021 0.000 1.067 349 D HN 0.266 nan 8.370 nan 0.000 0.484 350 P HA -0.042 nan 4.420 nan 0.000 0.230 350 P C 0.817 178.106 177.300 -0.017 0.000 1.158 350 P CA 0.540 63.635 63.100 -0.009 0.000 0.769 350 P CB 0.381 32.069 31.700 -0.020 0.000 0.807 351 L N -0.939 120.276 121.223 -0.013 0.000 2.910 351 L HA 0.322 4.661 4.340 -0.000 0.000 0.252 351 L C 0.966 177.818 176.870 -0.029 0.000 1.195 351 L CA 0.286 55.112 54.840 -0.024 0.000 1.003 351 L CB 0.077 42.121 42.059 -0.025 0.000 1.328 351 L HN -0.177 nan 8.230 nan 0.000 0.540 352 D N -1.382 119.009 120.400 -0.015 0.000 2.480 352 D HA 0.084 4.724 4.640 -0.000 0.000 0.276 352 D C -0.059 176.250 176.300 0.016 0.000 1.294 352 D CA 0.205 54.191 54.000 -0.024 0.000 0.829 352 D CB 0.838 41.619 40.800 -0.031 0.000 1.242 352 D HN -0.129 nan 8.370 nan 0.000 0.513 353 S N 0.395 116.119 115.700 0.040 0.000 2.429 353 S HA 0.599 5.069 4.470 -0.000 0.000 0.302 353 S C 0.071 174.714 174.600 0.072 0.000 1.115 353 S CA -0.501 57.752 58.200 0.088 0.000 1.095 353 S CB 1.450 64.712 63.200 0.103 0.000 0.987 353 S HN 0.277 nan 8.310 nan 0.000 0.474 354 T N -0.243 114.369 114.554 0.097 0.000 2.910 354 T HA 0.844 5.193 4.350 -0.000 0.000 0.287 354 T C -0.369 174.398 174.700 0.113 0.000 1.050 354 T CA -0.957 61.191 62.100 0.079 0.000 1.011 354 T CB 1.781 70.681 68.868 0.054 0.000 1.195 354 T HN 0.454 nan 8.240 nan 0.000 0.540 355 S N -1.223 114.532 115.700 0.092 0.000 2.535 355 S HA 0.396 4.866 4.470 -0.000 0.000 0.272 355 S C 0.513 175.157 174.600 0.073 0.000 1.149 355 S CA -0.839 57.422 58.200 0.101 0.000 0.888 355 S CB 2.000 65.270 63.200 0.115 0.000 1.110 355 S HN 0.883 nan 8.310 nan 0.000 0.463 356 R N 1.898 122.438 120.500 0.067 0.000 2.148 356 R HA 0.073 4.413 4.340 -0.000 0.000 0.227 356 R C 1.534 177.855 176.300 0.034 0.000 1.103 356 R CA 1.945 58.073 56.100 0.047 0.000 0.983 356 R CB -0.425 29.899 30.300 0.041 0.000 0.874 356 R HN 0.807 nan 8.270 nan 0.000 0.451 357 I N -2.116 118.475 120.570 0.036 0.000 3.855 357 I HA 0.214 4.384 4.170 -0.000 0.000 0.327 357 I C 0.266 176.383 176.117 0.000 0.000 1.359 357 I CA -0.337 60.972 61.300 0.015 0.000 1.142 357 I CB 0.348 38.359 38.000 0.018 0.000 1.041 357 I HN -0.065 nan 8.210 nan 0.000 0.403 358 M N 2.843 122.462 119.600 0.032 0.000 3.442 358 M HA 0.300 4.780 4.480 -0.000 0.000 0.232 358 M C -0.983 175.408 176.300 0.151 0.000 1.508 358 M CA -0.220 55.132 55.300 0.087 0.000 1.647 358 M CB -1.571 31.088 32.600 0.098 0.000 1.126 358 M HN 0.291 nan 8.290 nan 0.000 0.557 359 D N 2.998 123.391 120.400 -0.010 0.000 2.936 359 D HA 0.419 5.058 4.640 -0.000 0.000 0.238 359 D C -2.226 173.889 176.300 -0.307 0.000 1.248 359 D CA -1.510 52.345 54.000 -0.241 0.000 0.903 359 D CB 2.323 43.041 40.800 -0.136 0.000 1.544 359 D HN 0.103 nan 8.370 nan 0.000 0.543 360 P HA -0.159 nan 4.420 nan 0.000 0.216 360 P C 0.887 178.099 177.300 -0.148 0.000 1.150 360 P CA 0.907 63.820 63.100 -0.312 0.000 0.843 360 P CB 0.325 31.791 31.700 -0.390 0.000 0.787 361 N N -0.532 118.075 118.700 -0.156 0.000 2.430 361 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 361 N C 1.691 177.169 175.510 -0.053 0.000 1.032 361 N CA 1.042 54.040 53.050 -0.086 0.000 0.893 361 N CB -0.097 38.340 38.487 -0.083 0.000 0.957 361 N HN 0.324 nan 8.380 nan 0.000 0.442 362 I N -0.822 119.714 120.570 -0.056 0.000 3.673 362 I HA -0.079 4.091 4.170 -0.000 0.000 0.281 362 I C 1.692 177.809 176.117 -0.001 0.000 1.182 362 I CA 0.205 61.490 61.300 -0.026 0.000 1.391 362 I CB 0.318 38.301 38.000 -0.028 0.000 1.383 362 I HN -0.149 nan 8.210 nan 0.000 0.456 363 V N -1.001 118.908 119.914 -0.009 0.000 3.647 363 V HA 0.604 4.724 4.120 -0.000 0.000 0.279 363 V C 0.837 177.001 176.094 0.116 0.000 1.314 363 V CA 0.073 62.397 62.300 0.039 0.000 1.125 363 V CB -1.146 30.603 31.823 -0.123 0.000 0.907 363 V HN 0.476 nan 8.190 nan 0.000 0.434 364 G N 1.131 109.971 108.800 0.067 0.000 2.730 364 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 364 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 364 G C 0.456 175.421 174.900 0.109 0.000 1.343 364 G CA 0.300 45.449 45.100 0.082 0.000 0.826 364 G HN 1.301 nan 8.290 nan 0.000 0.582 365 S N -0.723 115.033 115.700 0.095 0.000 2.414 365 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 365 S C 1.783 176.486 174.600 0.172 0.000 1.022 365 S CA 1.648 59.922 58.200 0.123 0.000 0.958 365 S CB 0.062 63.309 63.200 0.078 0.000 0.797 365 S HN 0.904 nan 8.310 nan 0.000 0.493 366 E N 0.957 121.245 120.200 0.146 0.000 2.047 366 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 366 E C 2.003 178.717 176.600 0.189 0.000 0.987 366 E CA 1.225 57.708 56.400 0.138 0.000 0.799 366 E CB -0.397 29.363 29.700 0.099 0.000 0.752 366 E HN 0.832 nan 8.360 nan 0.000 0.449 367 H N -1.662 117.469 119.070 0.102 0.000 2.352 367 H HA -0.218 4.338 4.556 -0.000 0.000 0.299 367 H C 1.969 177.367 175.328 0.116 0.000 1.097 367 H CA 1.657 57.764 56.048 0.100 0.000 1.311 367 H CB 0.000 29.821 29.762 0.097 0.000 1.377 367 H HN 0.274 nan 8.280 nan 0.000 0.504 368 Y N 1.126 121.509 120.300 0.140 0.000 2.263 368 Y HA -0.157 4.393 4.550 -0.000 0.000 0.292 368 Y C 1.816 177.747 175.900 0.051 0.000 1.130 368 Y CA 1.635 59.761 58.100 0.043 0.000 1.179 368 Y CB -0.038 38.427 38.460 0.009 0.000 0.998 368 Y HN 0.284 nan 8.280 nan 0.000 0.532 369 D N -0.885 119.596 120.400 0.136 0.000 2.149 369 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 369 D C 2.360 178.662 176.300 0.003 0.000 0.972 369 D CA 1.346 55.376 54.000 0.049 0.000 0.835 369 D CB -0.309 40.550 40.800 0.099 0.000 0.966 369 D HN 0.255 nan 8.370 nan 0.000 0.476 370 V N 1.242 121.185 119.914 0.047 0.000 2.358 370 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 370 V C 2.476 178.561 176.094 -0.015 0.000 1.047 370 V CA 1.667 63.995 62.300 0.046 0.000 1.035 370 V CB -0.806 31.074 31.823 0.095 0.000 0.658 370 V HN 0.170 nan 8.190 nan 0.000 0.452 371 A N 0.357 123.159 122.820 -0.029 0.000 1.851 371 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 371 A C 2.309 179.790 177.584 -0.171 0.000 1.195 371 A CA 1.788 53.764 52.037 -0.103 0.000 0.622 371 A CB -0.502 18.444 19.000 -0.090 0.000 0.831 371 A HN 0.409 nan 8.150 nan 0.000 0.444 372 R N -0.462 119.887 120.500 -0.253 0.000 2.148 372 R HA -0.063 4.277 4.340 -0.000 0.000 0.227 372 R C 2.245 178.468 176.300 -0.129 0.000 1.103 372 R CA 1.063 57.018 56.100 -0.242 0.000 0.983 372 R CB -1.431 28.652 30.300 -0.361 0.000 0.874 372 R HN 0.562 nan 8.270 nan 0.000 0.451 373 G N 0.403 109.149 108.800 -0.090 0.000 2.402 373 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.216 373 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.216 373 G C 1.566 176.446 174.900 -0.033 0.000 1.162 373 G CA 0.537 45.614 45.100 -0.039 0.000 0.777 373 G HN 0.144 nan 8.290 nan 0.000 0.539 374 V N 0.663 120.543 119.914 -0.057 0.000 2.261 374 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 374 V C 2.959 179.019 176.094 -0.057 0.000 1.047 374 V CA 2.326 64.586 62.300 -0.067 0.000 1.015 374 V CB -0.611 31.097 31.823 -0.192 0.000 0.642 374 V HN 0.444 nan 8.190 nan 0.000 0.446 375 Q N -0.426 119.327 119.800 -0.078 0.000 2.084 375 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 375 Q C 2.390 178.370 176.000 -0.034 0.000 0.978 375 Q CA 1.624 57.392 55.803 -0.059 0.000 0.844 375 Q CB -0.267 28.424 28.738 -0.078 0.000 0.898 375 Q HN 0.533 nan 8.270 nan 0.000 0.426 376 K N 0.827 121.205 120.400 -0.037 0.000 2.032 376 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 376 K C 2.017 178.620 176.600 0.004 0.000 1.048 376 K CA 1.151 57.427 56.287 -0.019 0.000 0.927 376 K CB -0.147 32.340 32.500 -0.022 0.000 0.712 376 K HN 0.183 nan 8.250 nan 0.000 0.441 377 I N 0.844 121.420 120.570 0.010 0.000 2.353 377 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 377 I C 1.848 178.007 176.117 0.070 0.000 1.119 377 I CA 0.867 62.187 61.300 0.032 0.000 1.417 377 I CB 0.153 38.166 38.000 0.021 0.000 1.078 377 I HN 0.175 nan 8.210 nan 0.000 0.421 378 L N -0.077 121.181 121.223 0.059 0.000 2.156 378 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 378 L C 2.481 179.399 176.870 0.079 0.000 1.095 378 L CA 0.839 55.738 54.840 0.098 0.000 0.770 378 L CB -0.496 41.598 42.059 0.058 0.000 0.914 378 L HN 0.302 nan 8.230 nan 0.000 0.439 379 Q N 0.269 120.089 119.800 0.033 0.000 2.123 379 Q HA -0.175 4.165 4.340 -0.000 0.000 0.199 379 Q C 1.658 177.666 176.000 0.014 0.000 0.966 379 Q CA 1.578 57.385 55.803 0.007 0.000 0.845 379 Q CB -0.040 28.693 28.738 -0.009 0.000 0.907 379 Q HN 0.346 nan 8.270 nan 0.000 0.439 380 D N -0.905 119.518 120.400 0.038 0.000 2.084 380 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 380 D C 1.561 177.910 176.300 0.081 0.000 0.990 380 D CA 1.267 55.295 54.000 0.047 0.000 0.826 380 D CB -0.528 40.303 40.800 0.050 0.000 0.971 380 D HN 0.335 nan 8.370 nan 0.000 0.453 381 Y N 1.687 121.980 120.300 -0.012 0.000 2.274 381 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 381 Y C 2.150 178.043 175.900 -0.012 0.000 1.145 381 Y CA 1.475 59.569 58.100 -0.011 0.000 1.203 381 Y CB -0.146 38.309 38.460 -0.010 0.000 0.984 381 Y HN -0.160 nan 8.280 nan 0.000 0.533 382 K N -0.530 119.767 120.400 -0.172 0.000 2.057 382 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 382 K C 1.988 178.474 176.600 -0.190 0.000 1.049 382 K CA 1.672 57.814 56.287 -0.242 0.000 0.931 382 K CB -0.239 32.195 32.500 -0.109 0.000 0.714 382 K HN 0.225 nan 8.250 nan 0.000 0.440 383 S N 0.334 115.970 115.700 -0.107 0.000 2.603 383 S HA 0.092 4.562 4.470 -0.000 0.000 0.220 383 S C 1.357 175.915 174.600 -0.070 0.000 0.967 383 S CA 0.354 58.510 58.200 -0.075 0.000 0.920 383 S CB 0.093 63.269 63.200 -0.041 0.000 0.773 383 S HN 0.235 nan 8.310 nan 0.000 0.529 384 L N 0.271 121.441 121.223 -0.088 0.000 2.470 384 L HA 0.151 4.491 4.340 -0.000 0.000 0.219 384 L C 2.386 179.194 176.870 -0.104 0.000 1.071 384 L CA 0.236 55.043 54.840 -0.056 0.000 0.850 384 L CB -0.266 41.805 42.059 0.020 0.000 1.040 384 L HN 0.200 nan 8.230 nan 0.000 0.475 385 Q N 0.611 120.266 119.800 -0.242 0.000 2.028 385 Q HA -0.302 4.038 4.340 -0.000 0.000 0.213 385 Q C 1.442 177.364 176.000 -0.130 0.000 1.017 385 Q CA 2.389 58.025 55.803 -0.280 0.000 0.875 385 Q CB -0.045 28.469 28.738 -0.373 0.000 0.962 385 Q HN 0.461 nan 8.270 nan 0.000 0.413 386 D N -0.592 119.743 120.400 -0.108 0.000 2.269 386 D HA -0.064 4.576 4.640 -0.000 0.000 0.208 386 D C 1.695 177.969 176.300 -0.043 0.000 0.963 386 D CA 0.783 54.743 54.000 -0.067 0.000 0.864 386 D CB 0.086 40.849 40.800 -0.062 0.000 0.936 386 D HN 0.287 nan 8.370 nan 0.000 0.505 387 I N 0.804 121.349 120.570 -0.041 0.000 2.400 387 I HA -0.134 4.035 4.170 -0.000 0.000 0.248 387 I C 2.377 178.487 176.117 -0.011 0.000 1.109 387 I CA 0.407 61.693 61.300 -0.023 0.000 1.425 387 I CB -0.053 37.935 38.000 -0.020 0.000 1.094 387 I HN -0.058 nan 8.210 nan 0.000 0.425 388 I N -0.712 119.854 120.570 -0.007 0.000 2.676 388 I HA -0.039 4.131 4.170 -0.000 0.000 0.259 388 I C 2.364 178.487 176.117 0.010 0.000 1.194 388 I CA 1.415 62.721 61.300 0.011 0.000 1.473 388 I CB -0.582 37.440 38.000 0.036 0.000 1.096 388 I HN 0.015 nan 8.210 nan 0.000 0.443 389 A N 1.198 124.017 122.820 -0.001 0.000 2.015 389 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 389 A C 2.232 179.815 177.584 -0.001 0.000 1.163 389 A CA 1.755 53.791 52.037 -0.000 0.000 0.646 389 A CB -0.709 18.284 19.000 -0.011 0.000 0.806 389 A HN 0.560 nan 8.150 nan 0.000 0.448 390 I N -1.431 119.136 120.570 -0.004 0.000 2.729 390 I HA 0.032 4.202 4.170 -0.000 0.000 0.256 390 I C 1.923 178.040 176.117 0.000 0.000 1.115 390 I CA 0.455 61.754 61.300 -0.003 0.000 1.446 390 I CB 0.009 38.006 38.000 -0.006 0.000 1.176 390 I HN 0.155 nan 8.210 nan 0.000 0.446 391 L N 0.641 121.865 121.223 0.001 0.000 2.478 391 L HA 0.205 4.545 4.340 -0.000 0.000 0.223 391 L C 0.759 177.632 176.870 0.006 0.000 1.140 391 L CA 0.218 55.060 54.840 0.003 0.000 0.842 391 L CB -0.647 41.413 42.059 0.002 0.000 0.953 391 L HN 0.443 nan 8.230 nan 0.000 0.452 392 G N -0.602 108.203 108.800 0.009 0.000 2.705 392 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.686 392 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.686 392 G C -0.020 174.890 174.900 0.017 0.000 1.285 392 G CA -0.045 45.063 45.100 0.012 0.000 0.800 392 G HN 0.019 nan 8.290 nan 0.000 0.611 393 M N 1.091 120.703 119.600 0.020 0.000 2.132 393 M HA 0.029 4.509 4.480 -0.000 0.000 0.263 393 M C 2.181 178.493 176.300 0.021 0.000 1.065 393 M CA 3.071 58.387 55.300 0.026 0.000 1.122 393 M CB -0.503 32.114 32.600 0.027 0.000 1.365 393 M HN 0.782 nan 8.290 nan 0.000 0.411 394 D N -1.218 119.192 120.400 0.016 0.000 2.219 394 D HA -0.178 4.462 4.640 -0.000 0.000 0.205 394 D C 1.337 177.645 176.300 0.012 0.000 0.970 394 D CA 1.013 55.021 54.000 0.013 0.000 0.851 394 D CB -0.710 40.096 40.800 0.011 0.000 0.943 394 D HN 0.392 nan 8.370 nan 0.000 0.488 395 E N -0.038 120.169 120.200 0.012 0.000 2.472 395 E HA 0.029 4.379 4.350 -0.000 0.000 0.200 395 E C 0.543 177.150 176.600 0.012 0.000 1.046 395 E CA 0.096 56.502 56.400 0.010 0.000 0.871 395 E CB -0.023 29.682 29.700 0.009 0.000 0.806 395 E HN 0.505 nan 8.360 nan 0.000 0.533 396 L N 1.742 122.975 121.223 0.015 0.000 2.397 396 L HA 0.036 4.376 4.340 -0.000 0.000 0.271 396 L C 1.007 177.885 176.870 0.014 0.000 1.148 396 L CA -0.372 54.479 54.840 0.017 0.000 0.825 396 L CB 0.817 42.890 42.059 0.024 0.000 1.117 396 L HN -0.015 nan 8.230 nan 0.000 0.456 397 S N 1.230 116.938 115.700 0.013 0.000 2.596 397 S HA 0.074 4.544 4.470 -0.000 0.000 0.260 397 S C 0.846 175.453 174.600 0.011 0.000 1.336 397 S CA -0.731 57.475 58.200 0.011 0.000 0.993 397 S CB 0.901 64.107 63.200 0.010 0.000 0.923 397 S HN 0.566 nan 8.310 nan 0.000 0.567 398 E N 1.048 121.253 120.200 0.009 0.000 2.204 398 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 398 E C 1.911 178.516 176.600 0.008 0.000 0.989 398 E CA 0.972 57.377 56.400 0.008 0.000 0.824 398 E CB -0.255 29.449 29.700 0.007 0.000 0.756 398 E HN 0.718 nan 8.360 nan 0.000 0.477 399 E N 0.889 121.094 120.200 0.009 0.000 2.107 399 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 399 E C 1.483 178.090 176.600 0.012 0.000 0.982 399 E CA 0.735 57.140 56.400 0.009 0.000 0.809 399 E CB -0.121 29.584 29.700 0.009 0.000 0.756 399 E HN 0.243 nan 8.360 nan 0.000 0.459 400 D N 1.476 121.886 120.400 0.016 0.000 2.110 400 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 400 D C 1.858 178.173 176.300 0.025 0.000 0.975 400 D CA 1.181 55.197 54.000 0.025 0.000 0.839 400 D CB -0.168 40.650 40.800 0.029 0.000 0.996 400 D HN 0.273 nan 8.370 nan 0.000 0.464 401 K N 0.608 121.020 120.400 0.019 0.000 2.519 401 K HA -0.083 4.237 4.320 -0.000 0.000 0.196 401 K C 1.825 178.423 176.600 -0.003 0.000 1.041 401 K CA 0.528 56.823 56.287 0.013 0.000 0.954 401 K CB -0.061 32.448 32.500 0.014 0.000 0.774 401 K HN 0.126 nan 8.250 nan 0.000 0.480 402 L N 2.042 123.263 121.223 -0.003 0.000 2.253 402 L HA -0.037 4.302 4.340 -0.000 0.000 0.205 402 L C 2.264 179.118 176.870 -0.026 0.000 1.078 402 L CA 1.360 56.192 54.840 -0.013 0.000 0.805 402 L CB -0.119 41.938 42.059 -0.004 0.000 0.963 402 L HN 0.363 nan 8.230 nan 0.000 0.459 403 T N -4.386 110.160 114.554 -0.014 0.000 3.023 403 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 403 T C 1.736 176.403 174.700 -0.055 0.000 1.093 403 T CA 1.078 63.167 62.100 -0.017 0.000 1.129 403 T CB -0.646 68.232 68.868 0.016 0.000 0.899 403 T HN 0.099 nan 8.240 nan 0.000 0.491 404 V N 1.419 121.300 119.914 -0.056 0.000 2.379 404 V HA -0.111 4.009 4.120 -0.000 0.000 0.245 404 V C 3.030 178.959 176.094 -0.274 0.000 1.044 404 V CA 1.823 64.027 62.300 -0.160 0.000 1.036 404 V CB -0.909 30.901 31.823 -0.021 0.000 0.664 404 V HN 0.474 nan 8.190 nan 0.000 0.453 405 S N -0.693 114.916 115.700 -0.153 0.000 2.355 405 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 405 S C 2.177 176.669 174.600 -0.181 0.000 1.031 405 S CA 1.433 59.547 58.200 -0.144 0.000 0.993 405 S CB -0.213 62.942 63.200 -0.075 0.000 0.859 405 S HN 0.484 nan 8.310 nan 0.000 0.453 406 R N 0.777 121.186 120.500 -0.153 0.000 2.066 406 R HA 0.027 4.367 4.340 -0.000 0.000 0.232 406 R C 2.571 178.767 176.300 -0.173 0.000 1.131 406 R CA 1.210 57.217 56.100 -0.156 0.000 0.955 406 R CB -0.475 29.773 30.300 -0.087 0.000 0.851 406 R HN 0.381 nan 8.270 nan 0.000 0.432 407 A N 1.157 123.870 122.820 -0.178 0.000 1.933 407 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 407 A C 2.056 179.496 177.584 -0.240 0.000 1.175 407 A CA 1.288 53.224 52.037 -0.168 0.000 0.628 407 A CB -0.363 18.547 19.000 -0.151 0.000 0.814 407 A HN 0.230 nan 8.150 nan 0.000 0.444 408 R N -0.529 119.733 120.500 -0.396 0.000 2.115 408 R HA -0.064 4.276 4.340 -0.000 0.000 0.230 408 R C 2.082 178.280 176.300 -0.171 0.000 1.111 408 R CA 1.523 57.440 56.100 -0.305 0.000 0.976 408 R CB -0.179 29.920 30.300 -0.335 0.000 0.870 408 R HN 0.504 nan 8.270 nan 0.000 0.445 409 K N 0.281 120.530 120.400 -0.252 0.000 2.116 409 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 409 K C 1.957 178.359 176.600 -0.330 0.000 1.052 409 K CA 0.876 56.900 56.287 -0.437 0.000 0.952 409 K CB 0.022 32.013 32.500 -0.848 0.000 0.729 409 K HN 0.055 nan 8.250 nan 0.000 0.446 410 I N 1.430 121.911 120.570 -0.148 0.000 2.286 410 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 410 I C 2.650 178.915 176.117 0.248 0.000 1.115 410 I CA 1.275 62.673 61.300 0.163 0.000 1.392 410 I CB -0.112 38.004 38.000 0.194 0.000 1.065 410 I HN 0.236 nan 8.210 nan 0.000 0.418 411 Q N 0.508 120.375 119.800 0.112 0.000 2.152 411 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 411 Q C 2.289 178.391 176.000 0.171 0.000 0.985 411 Q CA 1.770 57.648 55.803 0.125 0.000 0.863 411 Q CB 0.075 28.859 28.738 0.077 0.000 0.904 411 Q HN 0.387 nan 8.270 nan 0.000 0.422 412 R N -1.245 119.367 120.500 0.188 0.000 2.127 412 R HA -0.020 4.320 4.340 -0.000 0.000 0.217 412 R C 1.755 178.241 176.300 0.309 0.000 1.074 412 R CA 0.725 56.997 56.100 0.286 0.000 0.991 412 R CB -0.088 30.413 30.300 0.335 0.000 0.895 412 R HN 0.194 nan 8.270 nan 0.000 0.450 413 F N 0.804 120.825 119.950 0.118 0.000 2.604 413 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 413 F C 1.334 177.250 175.800 0.193 0.000 1.131 413 F CA 0.858 58.883 58.000 0.042 0.000 1.457 413 F CB 0.118 38.956 39.000 -0.269 0.000 1.095 413 F HN -0.060 nan 8.300 nan 0.000 0.574 414 L N -0.643 120.760 121.223 0.301 0.000 2.240 414 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 414 L C 1.535 178.445 176.870 0.067 0.000 1.106 414 L CA 0.553 55.531 54.840 0.229 0.000 0.793 414 L CB -0.704 41.471 42.059 0.194 0.000 0.927 414 L HN 0.119 nan 8.230 nan 0.000 0.446 415 S N 0.125 115.857 115.700 0.054 0.000 2.576 415 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 415 S C -0.347 174.201 174.600 -0.086 0.000 1.339 415 S CA -0.417 57.776 58.200 -0.012 0.000 1.039 415 S CB 1.400 64.607 63.200 0.012 0.000 0.902 415 S HN 0.307 nan 8.310 nan 0.000 0.516 416 Q N 2.203 121.944 119.800 -0.099 0.000 2.295 416 Q HA 0.432 4.772 4.340 -0.000 0.000 0.268 416 Q C -3.082 172.890 176.000 -0.047 0.000 1.010 416 Q CA -2.123 53.647 55.803 -0.056 0.000 0.856 416 Q CB 2.293 31.066 28.738 0.058 0.000 1.349 416 Q HN 0.545 nan 8.270 nan 0.000 0.412 417 P HA 0.144 nan 4.420 nan 0.000 0.276 417 P C -1.076 176.423 177.300 0.331 0.000 1.230 417 P CA 0.341 63.498 63.100 0.096 0.000 0.776 417 P CB 0.305 32.051 31.700 0.077 0.000 0.888 418 F N 1.167 121.144 119.950 0.044 0.000 2.422 418 F HA 0.241 4.768 4.527 -0.000 0.000 0.333 418 F C 2.164 177.983 175.800 0.032 0.000 1.095 418 F CA -0.800 57.224 58.000 0.041 0.000 1.038 418 F CB 1.988 41.024 39.000 0.060 0.000 1.156 418 F HN 0.356 nan 8.300 nan 0.000 0.483 419 Q N 1.332 121.216 119.800 0.140 0.000 2.297 419 Q HA -0.115 4.225 4.340 -0.000 0.000 0.208 419 Q C 1.375 177.411 176.000 0.061 0.000 0.981 419 Q CA 1.143 56.983 55.803 0.061 0.000 0.876 419 Q CB 0.245 28.982 28.738 -0.001 0.000 0.921 419 Q HN 0.605 nan 8.270 nan 0.000 0.446 420 V N -0.818 119.164 119.914 0.112 0.000 3.307 420 V HA 0.082 4.202 4.120 -0.000 0.000 0.253 420 V C 1.334 177.512 176.094 0.140 0.000 1.149 420 V CA 1.065 63.427 62.300 0.104 0.000 1.112 420 V CB 0.588 32.480 31.823 0.115 0.000 0.777 420 V HN 0.271 nan 8.190 nan 0.000 0.464 421 A N -0.582 122.376 122.820 0.230 0.000 2.462 421 A HA 0.187 4.507 4.320 -0.000 0.000 0.261 421 A C 1.654 179.281 177.584 0.073 0.000 1.323 421 A CA -0.025 52.172 52.037 0.266 0.000 0.913 421 A CB -0.396 18.785 19.000 0.302 0.000 1.028 421 A HN 0.504 nan 8.150 nan 0.000 0.511 422 E N -0.266 119.923 120.200 -0.017 0.000 2.153 422 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 422 E C 1.834 178.335 176.600 -0.164 0.000 0.988 422 E CA 1.603 57.969 56.400 -0.055 0.000 0.811 422 E CB -0.140 29.534 29.700 -0.042 0.000 0.746 422 E HN 0.649 nan 8.360 nan 0.000 0.466 423 V N -1.977 117.720 119.914 -0.361 0.000 3.305 423 V HA -0.094 4.026 4.120 -0.000 0.000 0.269 423 V C 1.427 177.198 176.094 -0.538 0.000 1.157 423 V CA 1.222 63.220 62.300 -0.503 0.000 1.157 423 V CB -0.726 30.693 31.823 -0.673 0.000 0.772 423 V HN 0.156 nan 8.190 nan 0.000 0.498 424 F N 1.353 121.264 119.950 -0.064 0.000 2.557 424 F HA 0.101 4.628 4.527 -0.000 0.000 0.278 424 F C 2.676 178.415 175.800 -0.102 0.000 1.051 424 F CA 0.770 58.714 58.000 -0.093 0.000 1.357 424 F CB -0.334 38.576 39.000 -0.149 0.000 1.104 424 F HN 0.189 nan 8.300 nan 0.000 0.654 425 T N -2.749 111.840 114.554 0.059 0.000 2.976 425 T HA 0.273 4.623 4.350 -0.000 0.000 0.257 425 T C 1.886 176.451 174.700 -0.224 0.000 1.051 425 T CA 0.870 62.947 62.100 -0.038 0.000 1.141 425 T CB -0.206 68.678 68.868 0.028 0.000 0.881 425 T HN 0.456 nan 8.240 nan 0.000 0.461 426 G N 1.001 109.701 108.800 -0.167 0.000 2.143 426 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 426 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 426 G C -0.112 174.672 174.900 -0.192 0.000 0.991 426 G CA 0.326 45.306 45.100 -0.199 0.000 0.689 426 G HN 0.854 nan 8.290 nan 0.000 0.522 427 H N -1.494 117.578 119.070 0.003 0.000 2.538 427 H HA 0.552 5.108 4.556 -0.000 0.000 0.353 427 H C -0.126 175.205 175.328 0.005 0.000 1.109 427 H CA -1.280 54.768 56.048 0.001 0.000 1.192 427 H CB 1.803 31.559 29.762 -0.009 0.000 1.555 427 H HN 0.124 nan 8.280 nan 0.000 0.518 428 L N 2.559 123.867 121.223 0.143 0.000 2.513 428 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 428 L C 0.938 177.852 176.870 0.073 0.000 1.187 428 L CA 0.446 55.331 54.840 0.074 0.000 0.895 428 L CB 0.205 42.290 42.059 0.043 0.000 1.147 428 L HN 0.832 nan 8.230 nan 0.000 0.483 429 G N 4.749 113.593 108.800 0.073 0.000 2.380 429 G HA2 0.183 4.143 3.960 -0.000 0.000 0.242 429 G HA3 0.183 4.143 3.960 -0.000 0.000 0.242 429 G C -0.346 174.586 174.900 0.054 0.000 1.298 429 G CA -0.482 44.671 45.100 0.088 0.000 0.878 429 G HN 0.484 nan 8.290 nan 0.000 0.542 430 K N 1.009 121.447 120.400 0.063 0.000 2.316 430 K HA 0.412 4.732 4.320 -0.000 0.000 0.251 430 K C -0.604 176.012 176.600 0.026 0.000 0.934 430 K CA -0.817 55.488 56.287 0.030 0.000 0.802 430 K CB 2.239 34.746 32.500 0.011 0.000 1.171 430 K HN 0.491 nan 8.250 nan 0.000 0.426 431 L N -0.284 120.939 121.223 0.001 0.000 2.343 431 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 431 L C -0.755 176.110 176.870 -0.007 0.000 0.996 431 L CA -0.828 54.004 54.840 -0.014 0.000 0.831 431 L CB 1.687 43.724 42.059 -0.036 0.000 1.232 431 L HN 0.135 nan 8.230 nan 0.000 0.413 432 V N 5.390 125.300 119.914 -0.006 0.000 2.333 432 V HA 0.464 4.584 4.120 -0.000 0.000 0.274 432 V C -1.708 174.390 176.094 0.006 0.000 1.028 432 V CA -1.306 60.994 62.300 0.000 0.000 0.851 432 V CB 0.766 32.582 31.823 -0.012 0.000 1.000 432 V HN 0.737 nan 8.190 nan 0.000 0.456 433 P HA 0.033 nan 4.420 nan 0.000 0.270 433 P C 0.834 178.141 177.300 0.012 0.000 1.227 433 P CA -0.336 62.771 63.100 0.010 0.000 0.788 433 P CB 1.185 32.893 31.700 0.013 0.000 0.926 434 L N 2.239 123.464 121.223 0.004 0.000 1.989 434 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 434 L C 2.334 179.184 176.870 -0.034 0.000 1.071 434 L CA 2.141 56.970 54.840 -0.019 0.000 0.749 434 L CB -1.181 40.868 42.059 -0.018 0.000 0.890 434 L HN 0.299 nan 8.230 nan 0.000 0.431 435 K N -0.758 119.634 120.400 -0.013 0.000 2.211 435 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 435 K C 1.967 178.583 176.600 0.027 0.000 1.050 435 K CA 1.257 57.541 56.287 -0.004 0.000 0.945 435 K CB -0.011 32.494 32.500 0.008 0.000 0.732 435 K HN 0.452 nan 8.250 nan 0.000 0.451 436 E N -0.608 119.616 120.200 0.040 0.000 2.285 436 E HA -0.083 4.267 4.350 -0.000 0.000 0.194 436 E C 1.468 178.139 176.600 0.118 0.000 0.997 436 E CA 0.953 57.394 56.400 0.069 0.000 0.845 436 E CB 0.275 30.009 29.700 0.058 0.000 0.782 436 E HN 0.266 nan 8.360 nan 0.000 0.491 437 T N 1.129 115.750 114.554 0.112 0.000 2.732 437 T HA -0.063 4.287 4.350 -0.000 0.000 0.261 437 T C 1.994 176.864 174.700 0.282 0.000 1.040 437 T CA 0.734 62.959 62.100 0.209 0.000 1.145 437 T CB -0.114 68.845 68.868 0.152 0.000 0.866 437 T HN 0.088 nan 8.240 nan 0.000 0.427 438 I N 1.529 122.171 120.570 0.120 0.000 2.127 438 I HA -0.187 3.983 4.170 -0.000 0.000 0.241 438 I C 2.708 178.917 176.117 0.154 0.000 1.075 438 I CA 1.302 62.660 61.300 0.095 0.000 1.334 438 I CB -0.464 37.501 38.000 -0.058 0.000 1.040 438 I HN 0.144 nan 8.210 nan 0.000 0.405 439 K N 1.843 122.312 120.400 0.115 0.000 2.057 439 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 439 K C 2.065 178.740 176.600 0.126 0.000 1.049 439 K CA 1.900 58.251 56.287 0.106 0.000 0.931 439 K CB -0.658 31.887 32.500 0.076 0.000 0.714 439 K HN 0.377 nan 8.250 nan 0.000 0.440 440 G N 0.506 109.392 108.800 0.143 0.000 2.459 440 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 440 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 440 G C 1.444 176.329 174.900 -0.024 0.000 1.183 440 G CA 0.696 45.827 45.100 0.051 0.000 0.776 440 G HN 0.323 nan 8.290 nan 0.000 0.552 441 F N 0.496 120.553 119.950 0.179 0.000 2.259 441 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 441 F C 2.943 178.786 175.800 0.071 0.000 1.088 441 F CA 1.342 59.424 58.000 0.138 0.000 1.358 441 F CB -0.044 39.062 39.000 0.176 0.000 1.040 441 F HN 0.146 nan 8.300 nan 0.000 0.505 442 Q N 0.220 120.168 119.800 0.246 0.000 2.096 442 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 442 Q C 2.116 178.181 176.000 0.108 0.000 0.982 442 Q CA 1.879 57.771 55.803 0.148 0.000 0.850 442 Q CB -0.091 28.717 28.738 0.117 0.000 0.901 442 Q HN 0.503 nan 8.270 nan 0.000 0.422 443 Q N -0.169 119.697 119.800 0.111 0.000 2.046 443 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 443 Q C 2.082 178.153 176.000 0.118 0.000 0.975 443 Q CA 1.398 57.266 55.803 0.108 0.000 0.836 443 Q CB -0.021 28.848 28.738 0.218 0.000 0.896 443 Q HN 0.448 nan 8.270 nan 0.000 0.428 444 I N 0.416 121.055 120.570 0.115 0.000 2.361 444 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 444 I C 2.052 178.184 176.117 0.025 0.000 1.133 444 I CA 0.981 62.311 61.300 0.050 0.000 1.413 444 I CB -0.174 37.734 38.000 -0.154 0.000 1.073 444 I HN 0.211 nan 8.210 nan 0.000 0.424 445 L N 0.330 121.587 121.223 0.057 0.000 2.109 445 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 445 L C 2.821 179.706 176.870 0.025 0.000 1.086 445 L CA 1.067 55.934 54.840 0.044 0.000 0.760 445 L CB -0.513 41.586 42.059 0.068 0.000 0.910 445 L HN 0.234 nan 8.230 nan 0.000 0.437 446 A N -0.579 122.255 122.820 0.025 0.000 1.972 446 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 446 A C 1.819 179.398 177.584 -0.009 0.000 1.169 446 A CA 1.641 53.682 52.037 0.006 0.000 0.635 446 A CB -0.490 18.510 19.000 -0.001 0.000 0.810 446 A HN 0.556 nan 8.150 nan 0.000 0.446 447 G N -1.710 107.082 108.800 -0.014 0.000 2.205 447 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.180 447 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.180 447 G C 0.374 175.248 174.900 -0.043 0.000 1.004 447 G CA 0.450 45.541 45.100 -0.016 0.000 0.670 447 G HN 0.473 nan 8.290 nan 0.000 0.496 448 E N -0.718 119.407 120.200 -0.126 0.000 2.515 448 E HA 0.057 4.407 4.350 -0.000 0.000 0.201 448 E C 0.581 176.841 176.600 -0.568 0.000 1.071 448 E CA 0.738 56.935 56.400 -0.339 0.000 0.880 448 E CB -0.098 29.303 29.700 -0.498 0.000 0.828 448 E HN 0.764 nan 8.360 nan 0.000 0.540 449 Y N -1.087 119.206 120.300 -0.012 0.000 2.768 449 Y HA 0.117 4.667 4.550 -0.000 0.000 0.249 449 Y C 0.477 176.289 175.900 -0.146 0.000 1.146 449 Y CA -0.603 57.420 58.100 -0.128 0.000 1.171 449 Y CB 0.789 39.276 38.460 0.045 0.000 1.249 449 Y HN -0.061 nan 8.280 nan 0.000 0.567 450 D N -0.215 120.210 120.400 0.041 0.000 2.378 450 D HA -0.113 4.527 4.640 -0.000 0.000 0.227 450 D C 1.702 178.048 176.300 0.076 0.000 1.012 450 D CA 1.029 55.057 54.000 0.047 0.000 0.905 450 D CB -0.133 40.696 40.800 0.048 0.000 0.895 450 D HN 0.643 nan 8.370 nan 0.000 0.532 451 H N -0.990 118.132 119.070 0.085 0.000 2.575 451 H HA 0.190 4.746 4.556 -0.000 0.000 0.267 451 H C 0.674 176.055 175.328 0.089 0.000 0.966 451 H CA -0.233 55.854 56.048 0.066 0.000 1.165 451 H CB 0.268 30.053 29.762 0.038 0.000 1.433 451 H HN 0.052 nan 8.280 nan 0.000 0.544 452 L N 2.786 123.897 121.223 -0.187 0.000 2.395 452 L HA 0.309 4.649 4.340 -0.000 0.000 0.269 452 L C -2.137 174.778 176.870 0.075 0.000 1.133 452 L CA -1.974 52.832 54.840 -0.056 0.000 0.812 452 L CB 0.941 42.946 42.059 -0.090 0.000 1.125 452 L HN 0.002 nan 8.230 nan 0.000 0.452 453 P HA 0.070 nan 4.420 nan 0.000 0.275 453 P C 0.092 177.489 177.300 0.161 0.000 1.227 453 P CA -0.458 62.688 63.100 0.076 0.000 0.781 453 P CB 0.509 32.230 31.700 0.035 0.000 0.906 454 E N 1.634 121.935 120.200 0.167 0.000 2.209 454 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 454 E C 0.975 177.743 176.600 0.281 0.000 0.993 454 E CA 0.898 57.446 56.400 0.247 0.000 0.819 454 E CB -0.556 29.194 29.700 0.082 0.000 0.745 454 E HN 0.367 nan 8.360 nan 0.000 0.477 455 Q N 0.275 120.162 119.800 0.145 0.000 2.515 455 Q HA 0.078 4.418 4.340 -0.000 0.000 0.212 455 Q C 1.886 177.945 176.000 0.099 0.000 0.970 455 Q CA 0.991 56.868 55.803 0.124 0.000 0.941 455 Q CB 0.174 28.949 28.738 0.062 0.000 0.998 455 Q HN 0.475 nan 8.270 nan 0.000 0.518 456 A N -0.523 122.293 122.820 -0.007 0.000 2.016 456 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 456 A C 1.388 178.777 177.584 -0.325 0.000 1.162 456 A CA 0.582 52.468 52.037 -0.252 0.000 0.662 456 A CB -0.340 18.352 19.000 -0.512 0.000 0.812 456 A HN 0.259 nan 8.150 nan 0.000 0.450 457 F N -2.463 117.498 119.950 0.018 0.000 2.754 457 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 457 F C 0.726 176.618 175.800 0.154 0.000 1.122 457 F CA -0.325 57.714 58.000 0.065 0.000 1.400 457 F CB -0.230 38.789 39.000 0.032 0.000 1.117 457 F HN 0.266 nan 8.300 nan 0.000 0.587 458 Y N 1.967 122.366 120.300 0.165 0.000 2.436 458 Y HA 0.269 4.819 4.550 -0.000 0.000 0.336 458 Y C 0.663 176.596 175.900 0.055 0.000 1.049 458 Y CA -1.300 56.869 58.100 0.115 0.000 1.294 458 Y CB 0.159 38.678 38.460 0.099 0.000 1.179 458 Y HN 0.073 nan 8.280 nan 0.000 0.520 459 M N 5.623 124.905 119.600 -0.531 0.000 2.347 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.198 459 M C -1.196 174.919 176.300 -0.308 0.000 0.549 459 M CA 0.987 55.983 55.300 -0.506 0.000 0.481 459 M CB -2.611 29.592 32.600 -0.661 0.000 1.393 459 M HN 0.445 nan 8.290 nan 0.000 0.905 460 V N -3.384 116.428 119.914 -0.170 0.000 3.155 460 V HA 1.094 5.214 4.120 -0.000 0.000 0.313 460 V C 0.780 176.823 176.094 -0.084 0.000 1.162 460 V CA -0.104 62.126 62.300 -0.116 0.000 1.048 460 V CB 1.578 33.371 31.823 -0.050 0.000 1.092 460 V HN 0.395 nan 8.190 nan 0.000 0.447 461 G N 0.072 108.843 108.800 -0.048 0.000 3.287 461 G HA2 0.496 4.456 3.960 -0.000 0.000 0.172 461 G HA3 0.496 4.456 3.960 -0.000 0.000 0.172 461 G C -2.437 172.465 174.900 0.004 0.000 1.922 461 G CA -0.542 44.535 45.100 -0.037 0.000 0.952 461 G HN 0.701 nan 8.290 nan 0.000 0.520 462 P HA 0.159 nan 4.420 nan 0.000 0.273 462 P C 0.789 178.222 177.300 0.223 0.000 1.250 462 P CA -0.565 62.622 63.100 0.146 0.000 0.793 462 P CB 0.796 32.538 31.700 0.070 0.000 1.011 463 I N 0.669 121.351 120.570 0.186 0.000 2.454 463 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 463 I C 1.625 177.614 176.117 -0.214 0.000 1.156 463 I CA 1.739 62.928 61.300 -0.184 0.000 1.433 463 I CB -0.651 37.122 38.000 -0.379 0.000 1.082 463 I HN 0.307 nan 8.210 nan 0.000 0.432 464 E N 0.344 120.495 120.200 -0.082 0.000 2.077 464 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 464 E C 2.118 178.659 176.600 -0.098 0.000 0.989 464 E CA 1.471 57.828 56.400 -0.071 0.000 0.800 464 E CB -0.231 29.456 29.700 -0.021 0.000 0.746 464 E HN 0.541 nan 8.360 nan 0.000 0.452 465 E N -0.192 119.962 120.200 -0.077 0.000 2.204 465 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 465 E C 1.914 178.422 176.600 -0.153 0.000 0.989 465 E CA 0.706 57.054 56.400 -0.087 0.000 0.824 465 E CB -0.044 29.624 29.700 -0.053 0.000 0.756 465 E HN 0.281 nan 8.360 nan 0.000 0.477 466 A N 0.569 123.247 122.820 -0.237 0.000 1.929 466 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 466 A C 2.402 179.708 177.584 -0.463 0.000 1.176 466 A CA 0.827 52.603 52.037 -0.435 0.000 0.628 466 A CB -0.320 18.243 19.000 -0.728 0.000 0.816 466 A HN 0.110 nan 8.150 nan 0.000 0.444 467 V N 0.012 119.705 119.914 -0.369 0.000 2.358 467 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 467 V C 3.014 179.022 176.094 -0.144 0.000 1.047 467 V CA 1.773 63.934 62.300 -0.231 0.000 1.035 467 V CB -1.450 30.310 31.823 -0.106 0.000 0.658 467 V HN 0.568 nan 8.190 nan 0.000 0.452 468 A N 0.215 122.962 122.820 -0.122 0.000 1.908 468 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 468 A C 2.357 179.888 177.584 -0.089 0.000 1.181 468 A CA 2.421 54.408 52.037 -0.083 0.000 0.627 468 A CB -0.526 18.433 19.000 -0.068 0.000 0.818 468 A HN 0.556 nan 8.150 nan 0.000 0.445 469 K N -0.427 119.898 120.400 -0.125 0.000 2.057 469 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 469 K C 2.114 178.652 176.600 -0.104 0.000 1.050 469 K CA 1.200 57.421 56.287 -0.111 0.000 0.935 469 K CB -0.335 32.084 32.500 -0.134 0.000 0.715 469 K HN 0.356 nan 8.250 nan 0.000 0.439 470 A N 1.228 123.959 122.820 -0.148 0.000 1.933 470 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 470 A C 1.647 179.198 177.584 -0.056 0.000 1.175 470 A CA 1.989 53.957 52.037 -0.114 0.000 0.628 470 A CB -0.568 18.337 19.000 -0.159 0.000 0.814 470 A HN 0.374 nan 8.150 nan 0.000 0.444 471 D N -0.588 119.781 120.400 -0.051 0.000 2.144 471 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 471 D C 1.882 178.171 176.300 -0.018 0.000 0.984 471 D CA 1.214 55.199 54.000 -0.024 0.000 0.834 471 D CB -0.164 40.623 40.800 -0.021 0.000 0.955 471 D HN 0.486 nan 8.370 nan 0.000 0.465 472 K N 0.055 120.439 120.400 -0.026 0.000 2.288 472 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 472 K C 1.650 178.245 176.600 -0.008 0.000 1.048 472 K CA 0.314 56.592 56.287 -0.015 0.000 0.956 472 K CB 0.059 32.549 32.500 -0.017 0.000 0.746 472 K HN 0.164 nan 8.250 nan 0.000 0.461 473 L N 0.067 121.282 121.223 -0.012 0.000 2.591 473 L HA 0.056 4.396 4.340 -0.000 0.000 0.228 473 L C 2.021 178.892 176.870 0.002 0.000 1.133 473 L CA -0.028 54.810 54.840 -0.004 0.000 0.880 473 L CB -0.022 42.033 42.059 -0.007 0.000 1.033 473 L HN 0.158 nan 8.230 nan 0.000 0.450 474 A N -0.423 122.398 122.820 0.001 0.000 1.902 474 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 474 A C 1.081 178.669 177.584 0.006 0.000 1.181 474 A CA 1.514 53.554 52.037 0.006 0.000 0.623 474 A CB 0.056 19.060 19.000 0.006 0.000 0.818 474 A HN 0.334 nan 8.150 nan 0.000 0.443 475 E N 0.000 120.203 120.200 0.005 0.000 2.725 475 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 475 E CA 0.000 56.404 56.400 0.006 0.000 0.976 475 E CB 0.000 29.704 29.700 0.006 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440