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 2jj1_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 0.000 174.814 174.700 0.189 0.000 1.109 9 T CA 0.000 62.173 62.100 0.122 0.000 1.349 9 T CB 0.000 68.952 68.868 0.140 0.000 0.612 10 T N 1.787 116.424 114.554 0.139 0.000 2.829 10 T HA 0.807 5.158 4.350 0.003 0.000 0.280 10 T C 0.501 175.091 174.700 -0.183 0.000 0.999 10 T CA -0.416 61.702 62.100 0.031 0.000 0.983 10 T CB 1.587 70.444 68.868 -0.018 0.000 0.968 10 T HN 1.122 nan 8.240 nan 0.000 0.446 11 G N 1.594 110.054 108.800 -0.566 0.000 2.644 11 G HA2 0.750 4.711 3.960 0.003 0.000 0.307 11 G HA3 0.750 4.711 3.960 0.003 0.000 0.307 11 G C -1.207 173.354 174.900 -0.565 0.000 1.250 11 G CA -0.944 43.463 45.100 -1.155 0.000 0.996 11 G HN 0.575 nan 8.290 nan 0.000 0.489 12 R N -0.341 119.877 120.500 -0.469 0.000 2.513 12 R HA 0.368 4.709 4.340 0.003 0.000 0.301 12 R C -0.281 175.910 176.300 -0.182 0.000 0.968 12 R CA -0.697 55.258 56.100 -0.242 0.000 0.872 12 R CB 2.334 32.535 30.300 -0.166 0.000 1.177 12 R HN 0.418 nan 8.270 nan 0.000 0.444 13 I N 3.395 123.895 120.570 -0.116 0.000 2.752 13 I HA -0.117 4.055 4.170 0.003 0.000 0.289 13 I C 1.362 177.448 176.117 -0.052 0.000 1.197 13 I CA 0.380 61.642 61.300 -0.064 0.000 1.432 13 I CB 0.708 38.684 38.000 -0.040 0.000 1.359 13 I HN 0.562 nan 8.210 nan 0.000 0.571 14 V N 2.624 122.518 119.914 -0.033 0.000 3.562 14 V HA 0.602 4.724 4.120 0.003 0.000 0.270 14 V C 0.440 176.527 176.094 -0.011 0.000 1.418 14 V CA 0.281 62.566 62.300 -0.024 0.000 1.033 14 V CB 0.182 31.992 31.823 -0.022 0.000 0.820 14 V HN 0.730 nan 8.190 nan 0.000 0.441 15 A N -0.111 122.706 122.820 -0.005 0.000 2.547 15 A HA 0.820 5.141 4.320 0.003 0.000 0.297 15 A C -1.333 176.252 177.584 0.002 0.000 1.056 15 A CA -0.402 51.634 52.037 -0.001 0.000 0.688 15 A CB 2.295 21.298 19.000 0.004 0.000 1.282 15 A HN 0.536 nan 8.150 nan 0.000 0.400 16 V N 3.142 123.057 119.914 0.000 0.000 2.488 16 V HA 0.477 4.598 4.120 0.003 0.000 0.293 16 V C -0.902 175.193 176.094 0.001 0.000 1.027 16 V CA -0.031 62.270 62.300 0.001 0.000 0.862 16 V CB 1.143 32.965 31.823 -0.001 0.000 1.008 16 V HN 0.712 nan 8.190 nan 0.000 0.428 17 I N 4.009 124.580 120.570 0.002 0.000 2.468 17 I HA 0.649 4.821 4.170 0.003 0.000 0.285 17 I C 1.183 177.299 176.117 -0.001 0.000 1.039 17 I CA -0.167 61.133 61.300 0.000 0.000 1.074 17 I CB 1.649 39.649 38.000 0.000 0.000 1.228 17 I HN 0.756 nan 8.210 nan 0.000 0.436 18 G N 4.863 113.662 108.800 -0.001 0.000 2.702 18 G HA2 -0.416 3.546 3.960 0.003 0.000 0.342 18 G HA3 -0.416 3.546 3.960 0.003 0.000 0.342 18 G C 0.998 175.897 174.900 -0.001 0.000 1.258 18 G CA 0.948 46.047 45.100 -0.002 0.000 0.990 18 G HN 0.879 nan 8.290 nan 0.000 0.548 19 A N -0.876 121.942 122.820 -0.004 0.000 2.218 19 A HA 0.576 4.897 4.320 0.003 0.000 0.209 19 A C 1.014 178.599 177.584 0.001 0.000 1.168 19 A CA 1.506 53.542 52.037 -0.003 0.000 0.804 19 A CB 0.098 19.093 19.000 -0.009 0.000 0.834 19 A HN 1.211 nan 8.150 nan 0.000 0.482 20 V N 1.010 120.924 119.914 0.001 0.000 2.407 20 V HA 0.395 4.517 4.120 0.003 0.000 0.278 20 V C -0.622 175.479 176.094 0.011 0.000 1.037 20 V CA -0.361 61.943 62.300 0.005 0.000 0.900 20 V CB 1.421 33.246 31.823 0.002 0.000 0.983 20 V HN 0.077 nan 8.190 nan 0.000 0.459 21 V N 4.014 123.940 119.914 0.019 0.000 2.443 21 V HA 0.410 4.531 4.120 0.003 0.000 0.293 21 V C -0.797 175.318 176.094 0.035 0.000 1.021 21 V CA -0.855 61.459 62.300 0.023 0.000 0.848 21 V CB 1.844 33.681 31.823 0.023 0.000 0.998 21 V HN 0.793 nan 8.190 nan 0.000 0.424 22 D N 3.728 124.146 120.400 0.030 0.000 2.277 22 D HA 0.509 5.151 4.640 0.003 0.000 0.249 22 D C -0.331 175.991 176.300 0.038 0.000 1.134 22 D CA 0.079 54.104 54.000 0.041 0.000 0.863 22 D CB 2.117 42.934 40.800 0.029 0.000 1.143 22 D HN 0.275 nan 8.370 nan 0.000 0.458 23 V N 2.435 122.393 119.914 0.074 0.000 2.588 23 V HA 0.303 4.425 4.120 0.003 0.000 0.304 23 V C -0.054 176.087 176.094 0.078 0.000 1.042 23 V CA -0.923 61.406 62.300 0.048 0.000 0.877 23 V CB 1.992 33.883 31.823 0.114 0.000 0.996 23 V HN 0.389 nan 8.190 nan 0.000 0.425 24 Q N 2.625 122.391 119.800 -0.058 0.000 2.256 24 Q HA 0.639 4.981 4.340 0.003 0.000 0.257 24 Q C -1.932 173.966 176.000 -0.170 0.000 0.936 24 Q CA -0.442 55.347 55.803 -0.022 0.000 0.903 24 Q CB 1.404 30.117 28.738 -0.043 0.000 1.263 24 Q HN 0.638 nan 8.270 nan 0.000 0.440 25 F N 2.707 122.634 119.950 -0.037 0.000 2.499 25 F HA 0.234 4.762 4.527 0.002 0.000 0.333 25 F C 0.472 176.249 175.800 -0.039 0.000 1.138 25 F CA -0.725 57.253 58.000 -0.037 0.000 0.945 25 F CB 1.733 40.706 39.000 -0.045 0.000 1.181 25 F HN 0.653 nan 8.300 nan 0.000 0.435 26 D N 2.083 122.536 120.400 0.089 0.000 2.097 26 D HA -0.103 4.539 4.640 0.003 0.000 0.197 26 D C 1.113 177.449 176.300 0.060 0.000 0.984 26 D CA 1.713 55.743 54.000 0.050 0.000 0.826 26 D CB 0.297 41.106 40.800 0.015 0.000 0.973 26 D HN 0.597 nan 8.370 nan 0.000 0.460 27 E N 0.461 120.710 120.200 0.082 0.000 3.349 27 E HA 0.379 4.731 4.350 0.003 0.000 0.412 27 E C 1.009 177.640 176.600 0.050 0.000 0.363 27 E CA -0.323 56.111 56.400 0.056 0.000 2.411 27 E CB -0.747 28.982 29.700 0.049 0.000 2.217 27 E HN 0.029 nan 8.360 nan 0.000 0.453 28 G N 0.653 109.474 108.800 0.036 0.000 2.340 28 G HA2 0.297 4.259 3.960 0.003 0.000 0.245 28 G HA3 0.297 4.259 3.960 0.003 0.000 0.245 28 G C -0.874 173.969 174.900 -0.094 0.000 1.294 28 G CA -0.206 44.882 45.100 -0.020 0.000 0.896 28 G HN 0.072 nan 8.290 nan 0.000 0.522 29 L N 5.520 126.643 121.223 -0.167 0.000 2.264 29 L HA 0.425 4.767 4.340 0.003 0.000 0.289 29 L C -1.700 174.974 176.870 -0.327 0.000 1.044 29 L CA -2.163 52.478 54.840 -0.333 0.000 0.807 29 L CB 1.471 43.334 42.059 -0.327 0.000 1.192 29 L HN 0.341 nan 8.230 nan 0.000 0.425 30 P HA 0.189 nan 4.420 nan 0.000 0.267 30 P C -2.710 174.584 177.300 -0.011 0.000 1.205 30 P CA -1.119 61.815 63.100 -0.276 0.000 0.765 30 P CB -0.017 31.439 31.700 -0.407 0.000 0.828 31 P HA 0.143 nan 4.420 nan 0.000 0.272 31 P C 0.581 177.821 177.300 -0.100 0.000 1.223 31 P CA -0.178 62.918 63.100 -0.008 0.000 0.784 31 P CB 0.734 32.410 31.700 -0.039 0.000 0.923 32 I N 2.641 123.068 120.570 -0.239 0.000 2.948 32 I HA -0.218 3.954 4.170 0.003 0.000 0.303 32 I C 1.602 177.610 176.117 -0.181 0.000 1.224 32 I CA 0.903 62.066 61.300 -0.229 0.000 1.442 32 I CB -0.327 37.507 38.000 -0.275 0.000 1.328 32 I HN 0.471 nan 8.210 nan 0.000 0.578 33 L N 1.553 122.664 121.223 -0.187 0.000 4.110 33 L HA -0.243 4.099 4.340 0.003 0.000 0.404 33 L C 0.250 177.025 176.870 -0.158 0.000 0.763 33 L CA 0.091 54.772 54.840 -0.266 0.000 2.413 33 L CB -1.540 40.265 42.059 -0.423 0.000 1.244 33 L HN 0.672 nan 8.230 nan 0.000 0.614 34 N N 1.512 120.154 118.700 -0.098 0.000 2.454 34 N HA 0.433 5.174 4.740 0.003 0.000 0.254 34 N C 0.328 175.828 175.510 -0.018 0.000 1.228 34 N CA 0.973 53.992 53.050 -0.052 0.000 0.900 34 N CB 0.835 39.287 38.487 -0.058 0.000 1.089 34 N HN 0.324 nan 8.380 nan 0.000 0.449 35 A N 2.800 125.625 122.820 0.009 0.000 2.362 35 A HA 0.462 4.784 4.320 0.003 0.000 0.276 35 A C -0.107 177.500 177.584 0.038 0.000 1.153 35 A CA -0.436 51.620 52.037 0.032 0.000 0.813 35 A CB -0.026 19.000 19.000 0.043 0.000 1.081 35 A HN 0.627 nan 8.150 nan 0.000 0.507 36 L N 2.200 123.458 121.223 0.058 0.000 2.331 36 L HA 0.475 4.817 4.340 0.003 0.000 0.275 36 L C -0.091 176.822 176.870 0.072 0.000 1.022 36 L CA -0.658 54.236 54.840 0.090 0.000 0.812 36 L CB 1.573 43.721 42.059 0.147 0.000 1.257 36 L HN 0.631 nan 8.230 nan 0.000 0.435 37 E N 2.578 122.820 120.200 0.070 0.000 2.114 37 E HA 0.276 4.628 4.350 0.003 0.000 0.266 37 E C -0.892 175.732 176.600 0.040 0.000 0.896 37 E CA -0.616 55.813 56.400 0.047 0.000 0.750 37 E CB 2.402 32.124 29.700 0.037 0.000 1.121 37 E HN 0.203 nan 8.360 nan 0.000 0.413 38 V N 3.931 123.864 119.914 0.031 0.000 2.521 38 V HA -0.036 4.085 4.120 0.003 0.000 0.286 38 V C 0.693 176.793 176.094 0.009 0.000 1.034 38 V CA -0.177 62.133 62.300 0.017 0.000 1.045 38 V CB 0.547 32.379 31.823 0.014 0.000 0.974 38 V HN 0.491 nan 8.190 nan 0.000 0.480 39 Q N 2.583 122.383 119.800 0.000 0.000 2.259 39 Q HA 0.418 4.760 4.340 0.003 0.000 0.246 39 Q C 1.101 177.098 176.000 -0.005 0.000 0.920 39 Q CA 0.533 56.334 55.803 -0.003 0.000 0.895 39 Q CB 1.309 30.042 28.738 -0.009 0.000 1.220 39 Q HN 1.164 nan 8.270 nan 0.000 0.439 40 G N 2.105 110.903 108.800 -0.003 0.000 2.256 40 G HA2 -0.218 3.743 3.960 0.003 0.000 0.272 40 G HA3 -0.218 3.743 3.960 0.003 0.000 0.272 40 G C -0.177 174.722 174.900 -0.002 0.000 1.076 40 G CA -0.045 45.053 45.100 -0.004 0.000 0.882 40 G HN 0.306 nan 8.290 nan 0.000 0.497 41 R N -0.506 119.995 120.500 0.001 0.000 2.778 41 R HA 0.482 4.823 4.340 0.003 0.000 0.277 41 R C 0.993 177.296 176.300 0.004 0.000 0.977 41 R CA -0.627 55.475 56.100 0.003 0.000 0.950 41 R CB 1.194 31.498 30.300 0.006 0.000 1.165 41 R HN 0.373 nan 8.270 nan 0.000 0.474 42 E N 0.773 120.975 120.200 0.004 0.000 2.076 42 E HA -0.055 4.297 4.350 0.003 0.000 0.190 42 E C -0.214 176.389 176.600 0.006 0.000 0.979 42 E CA 0.980 57.383 56.400 0.004 0.000 0.807 42 E CB 0.407 30.109 29.700 0.003 0.000 0.761 42 E HN 0.634 nan 8.360 nan 0.000 0.454 43 T N -1.236 113.322 114.554 0.007 0.000 2.855 43 T HA 0.342 4.693 4.350 0.003 0.000 0.281 43 T C -0.085 174.622 174.700 0.012 0.000 1.007 43 T CA -0.938 61.167 62.100 0.009 0.000 1.009 43 T CB 1.909 70.782 68.868 0.009 0.000 0.983 43 T HN 0.036 nan 8.240 nan 0.000 0.455 44 R N 1.722 122.231 120.500 0.014 0.000 2.473 44 R HA 0.186 4.528 4.340 0.003 0.000 0.315 44 R C -0.936 175.376 176.300 0.020 0.000 0.972 44 R CA -0.445 55.666 56.100 0.018 0.000 1.047 44 R CB -0.182 30.131 30.300 0.021 0.000 0.932 44 R HN 0.601 nan 8.270 nan 0.000 0.411 45 L N 6.407 127.642 121.223 0.020 0.000 2.294 45 L HA 0.309 4.650 4.340 0.003 0.000 0.283 45 L C -1.171 175.716 176.870 0.028 0.000 1.015 45 L CA -0.461 54.392 54.840 0.021 0.000 0.831 45 L CB 1.731 43.800 42.059 0.017 0.000 1.217 45 L HN 0.330 nan 8.230 nan 0.000 0.420 46 V N 6.497 126.430 119.914 0.032 0.000 2.439 46 V HA 0.395 4.516 4.120 0.003 0.000 0.282 46 V C 0.130 176.249 176.094 0.041 0.000 1.039 46 V CA -0.507 61.817 62.300 0.039 0.000 0.913 46 V CB 1.468 33.317 31.823 0.043 0.000 0.983 46 V HN 0.573 nan 8.190 nan 0.000 0.460 47 L N 4.489 125.741 121.223 0.049 0.000 2.287 47 L HA 0.535 4.877 4.340 0.003 0.000 0.287 47 L C 0.259 177.159 176.870 0.051 0.000 1.022 47 L CA -0.287 54.583 54.840 0.051 0.000 0.814 47 L CB 1.493 43.589 42.059 0.062 0.000 1.217 47 L HN 0.663 nan 8.230 nan 0.000 0.420 48 E N 2.786 123.011 120.200 0.042 0.000 2.229 48 E HA 0.244 4.596 4.350 0.003 0.000 0.283 48 E C -0.839 175.768 176.600 0.013 0.000 1.030 48 E CA -0.730 55.688 56.400 0.029 0.000 0.836 48 E CB 1.500 31.226 29.700 0.043 0.000 1.068 48 E HN 0.329 nan 8.360 nan 0.000 0.401 49 V N 4.667 124.578 119.914 -0.006 0.000 2.485 49 V HA 0.052 4.174 4.120 0.003 0.000 0.287 49 V C 0.903 176.968 176.094 -0.049 0.000 1.022 49 V CA 0.996 63.289 62.300 -0.011 0.000 1.067 49 V CB 0.675 32.487 31.823 -0.019 0.000 0.967 49 V HN 0.895 nan 8.190 nan 0.000 0.479 50 A N 4.614 127.417 122.820 -0.029 0.000 2.013 50 A HA 0.319 4.641 4.320 0.003 0.000 0.204 50 A C 0.727 178.273 177.584 -0.064 0.000 1.262 50 A CA 0.227 52.235 52.037 -0.047 0.000 0.800 50 A CB 0.371 19.358 19.000 -0.023 0.000 0.909 50 A HN 0.746 nan 8.150 nan 0.000 0.472 51 Q N -0.993 118.788 119.800 -0.032 0.000 2.416 51 Q HA 0.392 4.734 4.340 0.003 0.000 0.281 51 Q C -1.714 174.328 176.000 0.069 0.000 1.067 51 Q CA -0.561 55.225 55.803 -0.028 0.000 0.809 51 Q CB 1.886 30.629 28.738 0.009 0.000 1.418 51 Q HN 0.634 nan 8.270 nan 0.000 0.411 52 H N 1.841 120.902 119.070 -0.014 0.000 2.597 52 H HA 0.221 4.778 4.556 0.002 0.000 0.303 52 H C 0.699 176.028 175.328 0.000 0.000 1.057 52 H CA -0.359 55.684 56.048 -0.009 0.000 1.261 52 H CB 1.009 30.760 29.762 -0.018 0.000 1.397 52 H HN 0.442 nan 8.280 nan 0.000 0.461 53 L N 2.866 124.164 121.223 0.126 0.000 2.217 53 L HA 0.087 4.428 4.340 0.003 0.000 0.211 53 L C 1.164 178.065 176.870 0.051 0.000 1.107 53 L CA 0.817 55.698 54.840 0.069 0.000 0.783 53 L CB -0.119 41.971 42.059 0.052 0.000 0.919 53 L HN 0.902 nan 8.230 nan 0.000 0.442 54 G N -0.336 108.490 108.800 0.044 0.000 2.515 54 G HA2 -0.104 3.857 3.960 0.003 0.000 0.686 54 G HA3 -0.104 3.857 3.960 0.003 0.000 0.686 54 G C -0.263 174.641 174.900 0.007 0.000 1.274 54 G CA -0.514 44.598 45.100 0.020 0.000 0.874 54 G HN 0.252 nan 8.290 nan 0.000 0.631 55 E N -0.796 119.403 120.200 -0.001 0.000 2.320 55 E HA -0.235 4.116 4.350 0.003 0.000 0.234 55 E C 0.825 177.425 176.600 -0.001 0.000 1.183 55 E CA 0.982 57.381 56.400 -0.001 0.000 0.713 55 E CB -1.821 27.882 29.700 0.005 0.000 1.226 55 E HN 1.980 nan 8.360 nan 0.000 0.382 56 S N -1.453 114.237 115.700 -0.018 0.000 3.477 56 S HA -0.203 4.269 4.470 0.003 0.000 0.357 56 S C 0.126 174.747 174.600 0.034 0.000 1.083 56 S CA 1.660 59.854 58.200 -0.009 0.000 1.042 56 S CB -0.763 62.447 63.200 0.017 0.000 0.911 56 S HN 0.490 nan 8.310 nan 0.000 0.490 57 T N 1.228 115.794 114.554 0.020 0.000 2.824 57 T HA 0.609 4.961 4.350 0.003 0.000 0.282 57 T C 0.084 174.828 174.700 0.073 0.000 0.993 57 T CA -0.446 61.693 62.100 0.064 0.000 0.967 57 T CB 1.832 70.727 68.868 0.045 0.000 0.960 57 T HN 0.424 nan 8.240 nan 0.000 0.441 58 V N 1.384 121.381 119.914 0.137 0.000 2.581 58 V HA 0.741 4.863 4.120 0.003 0.000 0.303 58 V C -0.221 175.953 176.094 0.134 0.000 1.041 58 V CA -1.361 61.038 62.300 0.166 0.000 0.907 58 V CB 1.625 33.562 31.823 0.190 0.000 0.994 58 V HN 0.835 nan 8.190 nan 0.000 0.442 59 R N 2.691 123.256 120.500 0.109 0.000 2.265 59 R HA 0.680 5.022 4.340 0.003 0.000 0.319 59 R C -0.101 176.231 176.300 0.055 0.000 1.006 59 R CA 0.310 56.451 56.100 0.068 0.000 0.880 59 R CB 1.190 31.517 30.300 0.045 0.000 1.077 59 R HN 1.148 nan 8.270 nan 0.000 0.454 60 T N 2.786 117.370 114.554 0.050 0.000 2.893 60 T HA 0.477 4.829 4.350 0.003 0.000 0.291 60 T C 0.235 174.950 174.700 0.026 0.000 1.028 60 T CA -1.021 61.104 62.100 0.042 0.000 0.995 60 T CB 1.049 69.955 68.868 0.063 0.000 1.051 60 T HN 0.588 nan 8.240 nan 0.000 0.470 61 I N 0.647 121.228 120.570 0.017 0.000 2.385 61 I HA 0.827 4.999 4.170 0.003 0.000 0.294 61 I C 0.056 176.184 176.117 0.018 0.000 0.988 61 I CA -1.257 60.048 61.300 0.010 0.000 1.265 61 I CB 1.127 39.125 38.000 -0.003 0.000 1.388 61 I HN 0.868 nan 8.210 nan 0.000 0.480 62 A N 6.903 129.732 122.820 0.014 0.000 2.306 62 A HA 0.606 4.927 4.320 0.003 0.000 0.314 62 A C 0.489 178.083 177.584 0.017 0.000 1.164 62 A CA -0.779 51.269 52.037 0.018 0.000 0.822 62 A CB 1.100 20.108 19.000 0.015 0.000 1.130 62 A HN 0.874 nan 8.150 nan 0.000 0.496 63 M N 1.053 120.667 119.600 0.023 0.000 2.453 63 M HA 0.235 4.716 4.480 0.003 0.000 0.239 63 M C -0.342 175.970 176.300 0.020 0.000 1.151 63 M CA 0.523 55.838 55.300 0.024 0.000 0.989 63 M CB -0.996 31.623 32.600 0.032 0.000 1.548 63 M HN 0.760 nan 8.290 nan 0.000 0.479 64 D N -1.263 119.147 120.400 0.016 0.000 2.713 64 D HA 0.376 5.018 4.640 0.003 0.000 0.306 64 D C -0.514 175.793 176.300 0.011 0.000 1.299 64 D CA -0.145 53.864 54.000 0.014 0.000 0.823 64 D CB 1.292 42.101 40.800 0.015 0.000 1.353 64 D HN 0.149 nan 8.370 nan 0.000 0.447 65 G N -0.799 108.007 108.800 0.009 0.000 2.474 65 G HA2 0.280 4.242 3.960 0.003 0.000 0.233 65 G HA3 0.280 4.242 3.960 0.003 0.000 0.233 65 G C 0.874 175.778 174.900 0.007 0.000 1.278 65 G CA 0.863 45.967 45.100 0.007 0.000 0.861 65 G HN 0.405 nan 8.290 nan 0.000 0.567 66 T N -1.582 112.975 114.554 0.005 0.000 3.023 66 T HA 0.143 4.494 4.350 0.003 0.000 0.253 66 T C 0.871 175.572 174.700 0.002 0.000 1.038 66 T CA 0.286 62.388 62.100 0.004 0.000 0.962 66 T CB 0.065 68.936 68.868 0.004 0.000 1.018 66 T HN 0.705 nan 8.240 nan 0.000 0.521 67 E N 2.518 122.719 120.200 0.002 0.000 2.653 67 E HA 0.138 4.489 4.350 0.003 0.000 0.264 67 E C 1.202 177.803 176.600 0.001 0.000 0.949 67 E CA 1.178 57.579 56.400 0.001 0.000 0.953 67 E CB -0.379 29.322 29.700 0.002 0.000 0.925 67 E HN 0.606 nan 8.360 nan 0.000 0.475 68 G N 2.923 111.723 108.800 -0.001 0.000 2.217 68 G HA2 -0.263 3.698 3.960 0.003 0.000 0.246 68 G HA3 -0.263 3.698 3.960 0.003 0.000 0.246 68 G C 0.377 175.275 174.900 -0.003 0.000 0.990 68 G CA 0.178 45.277 45.100 -0.002 0.000 0.627 68 G HN 0.496 nan 8.290 nan 0.000 0.522 69 L N 0.758 121.979 121.223 -0.003 0.000 2.439 69 L HA 0.604 4.946 4.340 0.003 0.000 0.269 69 L C 0.451 177.316 176.870 -0.008 0.000 1.179 69 L CA -0.564 54.273 54.840 -0.005 0.000 0.828 69 L CB 1.370 43.427 42.059 -0.004 0.000 1.106 69 L HN -0.009 nan 8.230 nan 0.000 0.467 70 V N 2.360 122.267 119.914 -0.012 0.000 2.789 70 V HA 0.368 4.489 4.120 0.003 0.000 0.311 70 V C -0.057 176.026 176.094 -0.019 0.000 1.073 70 V CA -0.928 61.364 62.300 -0.013 0.000 0.921 70 V CB 2.118 33.932 31.823 -0.014 0.000 1.009 70 V HN 0.683 nan 8.190 nan 0.000 0.426 71 R N 2.106 122.595 120.500 -0.018 0.000 2.585 71 R HA 0.387 4.728 4.340 0.003 0.000 0.275 71 R C 1.339 177.621 176.300 -0.030 0.000 1.018 71 R CA 1.089 57.175 56.100 -0.023 0.000 1.072 71 R CB 0.061 30.350 30.300 -0.019 0.000 0.953 71 R HN 1.231 nan 8.270 nan 0.000 0.419 72 G N 1.277 110.052 108.800 -0.041 0.000 2.234 72 G HA2 -0.342 3.619 3.960 0.003 0.000 0.235 72 G HA3 -0.342 3.619 3.960 0.003 0.000 0.235 72 G C 0.195 175.062 174.900 -0.054 0.000 0.997 72 G CA 0.238 45.310 45.100 -0.048 0.000 0.623 72 G HN 0.624 nan 8.290 nan 0.000 0.514 73 Q N 1.194 120.965 119.800 -0.048 0.000 2.361 73 Q HA 0.483 4.825 4.340 0.003 0.000 0.276 73 Q C 0.305 176.266 176.000 -0.064 0.000 1.022 73 Q CA 0.125 55.901 55.803 -0.045 0.000 0.898 73 Q CB 0.335 29.054 28.738 -0.031 0.000 1.246 73 Q HN 0.412 nan 8.270 nan 0.000 0.410 74 K N 1.917 122.282 120.400 -0.059 0.000 2.218 74 K HA 0.364 4.686 4.320 0.003 0.000 0.276 74 K C -1.296 175.265 176.600 -0.066 0.000 1.022 74 K CA -0.446 55.796 56.287 -0.076 0.000 0.946 74 K CB 1.290 33.756 32.500 -0.056 0.000 1.000 74 K HN 0.374 nan 8.250 nan 0.000 0.468 75 V N 4.865 124.720 119.914 -0.099 0.000 2.577 75 V HA 0.304 4.426 4.120 0.003 0.000 0.303 75 V C -0.395 175.706 176.094 0.013 0.000 1.042 75 V CA -0.882 61.393 62.300 -0.041 0.000 0.872 75 V CB 1.490 33.285 31.823 -0.047 0.000 0.998 75 V HN 0.645 nan 8.190 nan 0.000 0.423 76 L N 2.989 124.256 121.223 0.072 0.000 2.379 76 L HA 0.546 4.888 4.340 0.003 0.000 0.269 76 L C -0.248 176.729 176.870 0.179 0.000 1.084 76 L CA -0.403 54.508 54.840 0.120 0.000 0.802 76 L CB 1.704 43.803 42.059 0.066 0.000 1.175 76 L HN 0.691 nan 8.230 nan 0.000 0.448 77 D N -0.089 120.428 120.400 0.194 0.000 2.274 77 D HA 0.099 4.741 4.640 0.003 0.000 0.239 77 D C 0.854 177.182 176.300 0.048 0.000 1.104 77 D CA -0.396 53.666 54.000 0.103 0.000 0.840 77 D CB 1.522 42.331 40.800 0.016 0.000 1.100 77 D HN 0.448 nan 8.370 nan 0.000 0.477 78 S N 2.675 118.393 115.700 0.030 0.000 2.555 78 S HA 0.132 4.604 4.470 0.003 0.000 0.230 78 S C 1.781 176.379 174.600 -0.005 0.000 0.978 78 S CA 0.339 58.546 58.200 0.011 0.000 0.934 78 S CB -0.453 62.754 63.200 0.011 0.000 0.766 78 S HN 1.058 nan 8.310 nan 0.000 0.533 79 G N 0.178 108.970 108.800 -0.012 0.000 2.143 79 G HA2 0.101 4.063 3.960 0.003 0.000 0.248 79 G HA3 0.101 4.063 3.960 0.003 0.000 0.248 79 G C 0.161 175.048 174.900 -0.022 0.000 0.991 79 G CA -0.051 45.035 45.100 -0.023 0.000 0.689 79 G HN 1.687 nan 8.290 nan 0.000 0.522 80 A N -1.466 121.345 122.820 -0.016 0.000 2.567 80 A HA 0.852 5.174 4.320 0.003 0.000 0.291 80 A C -2.948 174.639 177.584 0.005 0.000 1.048 80 A CA -0.390 51.642 52.037 -0.008 0.000 0.661 80 A CB 0.742 19.739 19.000 -0.005 0.000 1.288 80 A HN 0.142 nan 8.150 nan 0.000 0.424 81 P HA 0.374 nan 4.420 nan 0.000 0.275 81 P C -0.375 176.973 177.300 0.079 0.000 1.270 81 P CA -0.292 62.840 63.100 0.053 0.000 0.791 81 P CB 0.191 31.949 31.700 0.096 0.000 1.089 82 I N 0.623 121.265 120.570 0.119 0.000 2.664 82 I HA -0.007 4.165 4.170 0.003 0.000 0.284 82 I C 1.090 177.265 176.117 0.097 0.000 1.154 82 I CA 0.673 62.033 61.300 0.100 0.000 1.402 82 I CB -0.309 37.751 38.000 0.100 0.000 1.395 82 I HN 0.091 nan 8.210 nan 0.000 0.545 83 R N 7.581 128.142 120.500 0.102 0.000 2.532 83 R HA 0.758 5.100 4.340 0.003 0.000 0.295 83 R C -0.599 175.823 176.300 0.203 0.000 0.968 83 R CA -0.796 55.390 56.100 0.144 0.000 0.916 83 R CB 1.888 32.273 30.300 0.141 0.000 1.124 83 R HN 0.602 nan 8.270 nan 0.000 0.463 84 I N -1.331 119.328 120.570 0.148 0.000 2.892 84 I HA 0.587 4.759 4.170 0.003 0.000 0.306 84 I C -2.676 173.276 176.117 -0.275 0.000 1.078 84 I CA -3.507 57.795 61.300 0.005 0.000 1.032 84 I CB 2.315 40.277 38.000 -0.063 0.000 1.229 84 I HN 0.271 nan 8.210 nan 0.000 0.435 85 P HA 0.162 nan 4.420 nan 0.000 0.267 85 P C -0.856 176.103 177.300 -0.567 0.000 1.205 85 P CA -0.100 62.462 63.100 -0.898 0.000 0.765 85 P CB 0.791 32.061 31.700 -0.717 0.000 0.828 86 V N 0.943 120.473 119.914 -0.641 0.000 2.686 86 V HA 1.020 5.141 4.120 0.003 0.000 0.306 86 V C 0.032 175.475 176.094 -1.084 0.000 1.065 86 V CA -0.347 61.479 62.300 -0.789 0.000 0.894 86 V CB 1.464 32.828 31.823 -0.765 0.000 1.004 86 V HN 0.887 nan 8.190 nan 0.000 0.424 87 G N 3.923 112.134 108.800 -0.982 0.000 2.369 87 G HA2 0.349 4.310 3.960 0.003 0.000 0.293 87 G HA3 0.349 4.310 3.960 0.003 0.000 0.293 87 G C -2.716 172.090 174.900 -0.157 0.000 1.301 87 G CA 0.114 44.845 45.100 -0.615 0.000 0.913 87 G HN 0.529 nan 8.290 nan 0.000 0.540 88 P HA -0.108 nan 4.420 nan 0.000 0.216 88 P C 1.315 178.613 177.300 -0.005 0.000 1.150 88 P CA 1.758 64.905 63.100 0.078 0.000 0.843 88 P CB 0.042 31.797 31.700 0.092 0.000 0.787 89 E N -0.197 119.971 120.200 -0.054 0.000 2.265 89 E HA -0.117 4.235 4.350 0.003 0.000 0.196 89 E C 1.720 178.275 176.600 -0.075 0.000 0.996 89 E CA 1.670 58.029 56.400 -0.068 0.000 0.832 89 E CB -1.460 28.182 29.700 -0.097 0.000 0.756 89 E HN 0.452 nan 8.360 nan 0.000 0.491 90 T N -0.643 113.855 114.554 -0.094 0.000 3.085 90 T HA 0.062 4.413 4.350 0.003 0.000 0.263 90 T C 1.201 175.907 174.700 0.009 0.000 1.127 90 T CA -0.018 62.041 62.100 -0.069 0.000 1.103 90 T CB -0.228 68.566 68.868 -0.122 0.000 0.921 90 T HN -0.032 nan 8.240 nan 0.000 0.510 91 L N 1.645 122.878 121.223 0.017 0.000 2.453 91 L HA 0.454 4.795 4.340 0.003 0.000 0.272 91 L C 1.751 178.635 176.870 0.023 0.000 1.182 91 L CA 0.729 55.573 54.840 0.007 0.000 0.858 91 L CB 0.202 42.208 42.059 -0.089 0.000 1.120 91 L HN 0.479 nan 8.230 nan 0.000 0.474 92 G N 1.698 110.530 108.800 0.053 0.000 2.220 92 G HA2 -0.254 3.708 3.960 0.003 0.000 0.269 92 G HA3 -0.254 3.708 3.960 0.003 0.000 0.269 92 G C 0.575 175.542 174.900 0.111 0.000 0.977 92 G CA -0.067 45.081 45.100 0.080 0.000 0.634 92 G HN 0.470 nan 8.290 nan 0.000 0.539 93 R N -0.047 120.492 120.500 0.065 0.000 2.543 93 R HA 0.727 5.069 4.340 0.003 0.000 0.268 93 R C 0.545 176.856 176.300 0.018 0.000 1.067 93 R CA -0.765 55.355 56.100 0.033 0.000 1.142 93 R CB 0.393 30.690 30.300 -0.005 0.000 1.110 93 R HN 0.351 nan 8.270 nan 0.000 0.549 94 I N 1.697 122.236 120.570 -0.051 0.000 2.436 94 I HA 0.375 4.547 4.170 0.003 0.000 0.289 94 I C 0.106 176.207 176.117 -0.026 0.000 1.010 94 I CA -0.386 60.882 61.300 -0.052 0.000 1.098 94 I CB 1.627 39.493 38.000 -0.224 0.000 1.266 94 I HN 0.211 nan 8.210 nan 0.000 0.434 95 M N 5.265 124.880 119.600 0.024 0.000 2.705 95 M HA 0.400 4.882 4.480 0.003 0.000 0.311 95 M C -0.196 176.130 176.300 0.044 0.000 1.214 95 M CA -0.631 54.675 55.300 0.010 0.000 0.920 95 M CB 2.037 34.627 32.600 -0.016 0.000 1.687 95 M HN 0.665 nan 8.290 nan 0.000 0.481 96 N N 0.078 118.793 118.700 0.026 0.000 2.823 96 N HA 0.296 5.038 4.740 0.003 0.000 0.324 96 N C 0.532 176.055 175.510 0.022 0.000 1.336 96 N CA -0.656 52.417 53.050 0.038 0.000 0.861 96 N CB -0.404 38.101 38.487 0.030 0.000 1.157 96 N HN 0.398 nan 8.380 nan 0.000 0.585 97 V N -0.709 119.219 119.914 0.023 0.000 2.332 97 V HA -0.169 3.953 4.120 0.003 0.000 0.248 97 V C 1.756 177.858 176.094 0.012 0.000 1.055 97 V CA 2.077 64.386 62.300 0.015 0.000 1.038 97 V CB -1.263 30.574 31.823 0.023 0.000 0.651 97 V HN 0.749 nan 8.190 nan 0.000 0.450 98 I N -1.738 118.844 120.570 0.020 0.000 3.856 98 I HA 0.703 4.875 4.170 0.003 0.000 0.333 98 I C 1.338 177.472 176.117 0.029 0.000 1.525 98 I CA 0.392 61.710 61.300 0.030 0.000 1.173 98 I CB -0.143 37.880 38.000 0.039 0.000 1.175 98 I HN 0.280 nan 8.210 nan 0.000 0.424 99 G N 1.072 109.874 108.800 0.003 0.000 2.196 99 G HA2 -0.311 3.651 3.960 0.003 0.000 0.268 99 G HA3 -0.311 3.651 3.960 0.003 0.000 0.268 99 G C 0.089 174.979 174.900 -0.016 0.000 0.975 99 G CA 0.382 45.468 45.100 -0.023 0.000 0.648 99 G HN 0.671 nan 8.290 nan 0.000 0.538 100 E N 1.899 122.103 120.200 0.007 0.000 2.413 100 E HA 0.280 4.632 4.350 0.003 0.000 0.263 100 E C -1.952 174.640 176.600 -0.012 0.000 1.015 100 E CA -1.168 55.235 56.400 0.006 0.000 0.916 100 E CB 0.772 30.480 29.700 0.013 0.000 0.947 100 E HN 0.253 nan 8.360 nan 0.000 0.440 101 P HA 0.014 nan 4.420 nan 0.000 0.276 101 P C -0.038 177.242 177.300 -0.034 0.000 1.230 101 P CA 0.406 63.487 63.100 -0.032 0.000 0.776 101 P CB 0.349 32.032 31.700 -0.030 0.000 0.888 102 I N -0.855 119.682 120.570 -0.056 0.000 3.817 102 I HA 0.266 4.438 4.170 0.003 0.000 0.325 102 I C 0.128 176.173 176.117 -0.120 0.000 1.550 102 I CA -0.303 60.956 61.300 -0.068 0.000 1.100 102 I CB -0.009 37.959 38.000 -0.055 0.000 1.216 102 I HN 0.018 nan 8.210 nan 0.000 0.481 103 D N 0.252 120.575 120.400 -0.127 0.000 2.402 103 D HA 0.032 4.674 4.640 0.003 0.000 0.216 103 D C 0.406 176.670 176.300 -0.060 0.000 1.128 103 D CA -0.255 53.646 54.000 -0.165 0.000 0.833 103 D CB -0.146 40.526 40.800 -0.212 0.000 0.971 103 D HN 0.416 nan 8.370 nan 0.000 0.503 104 E N -0.023 120.154 120.200 -0.038 0.000 2.403 104 E HA -0.266 4.086 4.350 0.003 0.000 0.241 104 E C 0.056 176.659 176.600 0.005 0.000 1.201 104 E CA 0.307 56.701 56.400 -0.010 0.000 0.721 104 E CB -0.984 28.716 29.700 -0.000 0.000 1.245 104 E HN 0.397 nan 8.360 nan 0.000 0.392 105 R N -0.127 120.373 120.500 0.002 0.000 2.652 105 R HA 0.291 4.632 4.340 0.003 0.000 0.372 105 R C 0.720 177.024 176.300 0.006 0.000 1.104 105 R CA 0.223 56.330 56.100 0.012 0.000 1.072 105 R CB 1.022 31.337 30.300 0.024 0.000 1.367 105 R HN 0.326 nan 8.270 nan 0.000 0.577 106 G N 2.097 110.899 108.800 0.003 0.000 2.782 106 G HA2 -0.244 3.718 3.960 0.003 0.000 0.228 106 G HA3 -0.244 3.718 3.960 0.003 0.000 0.228 106 G C -2.439 172.461 174.900 -0.000 0.000 1.372 106 G CA -1.208 43.894 45.100 0.003 0.000 0.862 106 G HN 0.086 nan 8.290 nan 0.000 0.547 107 P HA 0.388 nan 4.420 nan 0.000 0.270 107 P C 0.155 177.449 177.300 -0.010 0.000 1.227 107 P CA -0.137 62.966 63.100 0.005 0.000 0.788 107 P CB 0.317 32.027 31.700 0.017 0.000 0.926 108 I N 1.659 122.214 120.570 -0.025 0.000 2.347 108 I HA 0.159 4.331 4.170 0.003 0.000 0.283 108 I C 0.552 176.625 176.117 -0.074 0.000 1.058 108 I CA -0.412 60.848 61.300 -0.066 0.000 1.202 108 I CB 0.264 38.195 38.000 -0.116 0.000 1.386 108 I HN 0.094 nan 8.210 nan 0.000 0.475 109 K N 5.045 125.419 120.400 -0.043 0.000 2.243 109 K HA 0.101 4.423 4.320 0.003 0.000 0.232 109 K C 0.512 177.087 176.600 -0.042 0.000 1.237 109 K CA -0.140 56.136 56.287 -0.018 0.000 1.161 109 K CB -0.443 32.056 32.500 -0.001 0.000 1.505 109 K HN 0.597 nan 8.250 nan 0.000 0.271 110 T N -2.234 112.267 114.554 -0.089 0.000 2.928 110 T HA 0.245 4.597 4.350 0.003 0.000 0.284 110 T C 0.984 175.688 174.700 0.007 0.000 1.008 110 T CA -0.903 61.124 62.100 -0.121 0.000 1.057 110 T CB 1.603 70.271 68.868 -0.334 0.000 1.018 110 T HN 0.088 nan 8.240 nan 0.000 0.493 111 K N 0.661 121.066 120.400 0.008 0.000 2.217 111 K HA 0.077 4.399 4.320 0.003 0.000 0.202 111 K C 1.106 177.783 176.600 0.128 0.000 1.051 111 K CA 0.981 57.309 56.287 0.069 0.000 0.952 111 K CB 0.034 32.568 32.500 0.057 0.000 0.736 111 K HN 0.790 nan 8.250 nan 0.000 0.453 112 Q N -1.174 118.694 119.800 0.114 0.000 2.565 112 Q HA 0.327 4.668 4.340 0.003 0.000 0.294 112 Q C -1.011 175.122 176.000 0.221 0.000 1.005 112 Q CA -0.697 55.241 55.803 0.224 0.000 0.771 112 Q CB 0.773 29.591 28.738 0.134 0.000 1.486 112 Q HN -0.110 nan 8.270 nan 0.000 0.422 113 F N -0.161 119.740 119.950 -0.080 0.000 2.746 113 F HA 0.945 5.473 4.527 0.003 0.000 0.378 113 F C -0.333 175.427 175.800 -0.066 0.000 1.165 113 F CA -0.495 57.449 58.000 -0.093 0.000 1.089 113 F CB 1.748 40.713 39.000 -0.059 0.000 1.439 113 F HN 0.868 nan 8.300 nan 0.000 0.516 114 A N -0.124 122.784 122.820 0.147 0.000 2.577 114 A HA 0.727 5.049 4.320 0.003 0.000 0.297 114 A C -1.381 176.247 177.584 0.074 0.000 1.060 114 A CA -0.481 51.606 52.037 0.084 0.000 0.697 114 A CB 0.641 19.664 19.000 0.038 0.000 1.281 114 A HN 1.134 nan 8.150 nan 0.000 0.402 115 A N 1.245 124.107 122.820 0.071 0.000 2.511 115 A HA 0.454 4.776 4.320 0.003 0.000 0.242 115 A C 1.060 178.668 177.584 0.040 0.000 1.069 115 A CA 0.360 52.441 52.037 0.074 0.000 0.763 115 A CB -0.489 18.562 19.000 0.085 0.000 1.001 115 A HN 1.858 nan 8.150 nan 0.000 0.498 116 I N -0.853 119.729 120.570 0.019 0.000 3.428 116 I HA 0.102 4.274 4.170 0.003 0.000 0.286 116 I C 0.186 176.162 176.117 -0.235 0.000 1.287 116 I CA 0.361 61.601 61.300 -0.100 0.000 1.396 116 I CB -0.263 37.658 38.000 -0.131 0.000 1.062 116 I HN 0.501 nan 8.210 nan 0.000 0.471 117 H N 2.559 121.633 119.070 0.008 0.000 2.541 117 H HA 0.793 5.351 4.556 0.003 0.000 0.316 117 H C -0.615 174.715 175.328 0.004 0.000 1.043 117 H CA -0.355 55.696 56.048 0.006 0.000 1.232 117 H CB 1.659 31.426 29.762 0.008 0.000 1.406 117 H HN 0.401 nan 8.280 nan 0.000 0.469 118 A N 3.453 126.321 122.820 0.081 0.000 2.572 118 A HA 0.341 4.662 4.320 0.003 0.000 0.295 118 A C -0.378 177.230 177.584 0.039 0.000 1.072 118 A CA -0.968 51.100 52.037 0.051 0.000 0.691 118 A CB 1.619 20.634 19.000 0.025 0.000 1.291 118 A HN 0.549 nan 8.150 nan 0.000 0.404 119 E N 0.816 121.036 120.200 0.034 0.000 2.415 119 E HA 0.356 4.707 4.350 0.003 0.000 0.262 119 E C 0.590 177.202 176.600 0.018 0.000 1.038 119 E CA 0.420 56.836 56.400 0.027 0.000 0.921 119 E CB 0.784 30.499 29.700 0.025 0.000 0.950 119 E HN 0.797 nan 8.360 nan 0.000 0.438 120 A N 4.214 127.045 122.820 0.019 0.000 2.351 120 A HA 0.377 4.699 4.320 0.003 0.000 0.257 120 A C -2.029 175.568 177.584 0.022 0.000 1.087 120 A CA -1.184 50.862 52.037 0.015 0.000 0.798 120 A CB -0.367 18.646 19.000 0.021 0.000 1.033 120 A HN 0.326 nan 8.150 nan 0.000 0.488 121 P HA 0.090 nan 4.420 nan 0.000 0.266 121 P C -0.160 177.163 177.300 0.040 0.000 1.195 121 P CA 0.134 63.245 63.100 0.018 0.000 0.768 121 P CB 0.409 32.112 31.700 0.006 0.000 0.838 122 E N 1.454 121.681 120.200 0.044 0.000 2.392 122 E HA 0.008 4.360 4.350 0.003 0.000 0.256 122 E C 0.844 177.511 176.600 0.113 0.000 1.145 122 E CA -0.302 56.147 56.400 0.082 0.000 0.929 122 E CB 0.151 29.893 29.700 0.071 0.000 0.998 122 E HN 0.390 nan 8.360 nan 0.000 0.442 123 F N 2.076 122.026 119.950 0.001 0.000 2.120 123 F HA -0.253 4.276 4.527 0.003 0.000 0.300 123 F C 1.955 177.754 175.800 -0.001 0.000 1.095 123 F CA 1.970 59.970 58.000 -0.000 0.000 1.249 123 F CB -0.347 38.653 39.000 -0.000 0.000 0.995 123 F HN 0.289 nan 8.300 nan 0.000 0.480 124 V N -1.965 117.944 119.914 -0.009 0.000 3.026 124 V HA -0.171 3.950 4.120 0.003 0.000 0.265 124 V C 1.423 177.443 176.094 -0.123 0.000 1.121 124 V CA 1.932 64.167 62.300 -0.107 0.000 1.142 124 V CB -1.044 30.774 31.823 -0.007 0.000 0.730 124 V HN 0.481 nan 8.190 nan 0.000 0.503 125 E N -0.136 120.008 120.200 -0.093 0.000 2.479 125 E HA 0.201 4.553 4.350 0.003 0.000 0.193 125 E C 0.547 177.086 176.600 -0.103 0.000 1.049 125 E CA -0.234 56.122 56.400 -0.074 0.000 0.870 125 E CB 0.081 29.762 29.700 -0.032 0.000 0.944 125 E HN 0.489 nan 8.360 nan 0.000 0.492 126 M N 0.864 120.357 119.600 -0.178 0.000 2.241 126 M HA 0.157 4.638 4.480 0.003 0.000 0.335 126 M C 0.363 176.571 176.300 -0.154 0.000 1.122 126 M CA -0.018 55.180 55.300 -0.171 0.000 1.164 126 M CB 1.230 33.678 32.600 -0.253 0.000 1.459 126 M HN -0.173 nan 8.290 nan 0.000 0.461 127 S N 0.671 116.309 115.700 -0.102 0.000 2.537 127 S HA 0.600 5.071 4.470 0.003 0.000 0.301 127 S C 0.458 175.018 174.600 -0.067 0.000 1.092 127 S CA -0.830 57.322 58.200 -0.079 0.000 1.048 127 S CB 1.147 64.316 63.200 -0.053 0.000 1.053 127 S HN 0.557 nan 8.310 nan 0.000 0.501 128 V N 0.669 120.548 119.914 -0.057 0.000 3.578 128 V HA 0.465 4.587 4.120 0.003 0.000 0.290 128 V C 0.392 176.472 176.094 -0.023 0.000 1.376 128 V CA -0.224 62.053 62.300 -0.038 0.000 1.083 128 V CB -0.454 31.345 31.823 -0.039 0.000 0.911 128 V HN 0.733 nan 8.190 nan 0.000 0.433 129 E N 3.491 123.677 120.200 -0.023 0.000 2.415 129 E HA 0.265 4.617 4.350 0.003 0.000 0.263 129 E C -0.317 176.281 176.600 -0.004 0.000 0.995 129 E CA 0.540 56.932 56.400 -0.013 0.000 0.915 129 E CB 0.662 30.354 29.700 -0.014 0.000 0.951 129 E HN 0.890 nan 8.360 nan 0.000 0.449 130 Q N 1.171 120.973 119.800 0.003 0.000 2.331 130 Q HA 0.420 4.762 4.340 0.003 0.000 0.249 130 Q C -1.136 174.876 176.000 0.021 0.000 0.913 130 Q CA -0.757 55.054 55.803 0.014 0.000 0.874 130 Q CB 1.420 30.168 28.738 0.016 0.000 1.384 130 Q HN 0.512 nan 8.270 nan 0.000 0.427 131 E N 2.462 122.680 120.200 0.030 0.000 2.356 131 E HA 0.539 4.891 4.350 0.003 0.000 0.275 131 E C -1.030 175.603 176.600 0.054 0.000 0.904 131 E CA -1.124 55.299 56.400 0.038 0.000 0.757 131 E CB 2.210 31.928 29.700 0.031 0.000 1.232 131 E HN 0.641 nan 8.360 nan 0.000 0.442 132 I N 2.217 122.826 120.570 0.066 0.000 2.845 132 I HA -0.079 4.092 4.170 0.003 0.000 0.296 132 I C -0.796 175.373 176.117 0.086 0.000 1.216 132 I CA -0.022 61.329 61.300 0.085 0.000 1.438 132 I CB 0.404 38.463 38.000 0.099 0.000 1.342 132 I HN 0.541 nan 8.210 nan 0.000 0.577 133 L N 8.914 130.203 121.223 0.110 0.000 2.301 133 L HA 0.392 4.734 4.340 0.003 0.000 0.278 133 L C -0.618 176.313 176.870 0.102 0.000 1.022 133 L CA -0.273 54.636 54.840 0.115 0.000 0.854 133 L CB 1.083 43.232 42.059 0.150 0.000 1.226 133 L HN 0.321 nan 8.230 nan 0.000 0.429 134 V N 4.213 124.169 119.914 0.070 0.000 2.555 134 V HA 0.208 4.330 4.120 0.003 0.000 0.286 134 V C 1.394 177.508 176.094 0.034 0.000 1.044 134 V CA 0.665 62.988 62.300 0.039 0.000 1.026 134 V CB 1.183 33.025 31.823 0.033 0.000 0.981 134 V HN 0.933 nan 8.190 nan 0.000 0.480 135 T N -0.038 114.514 114.554 -0.004 0.000 2.990 135 T HA 0.259 4.611 4.350 0.003 0.000 0.249 135 T C 1.400 176.081 174.700 -0.031 0.000 1.039 135 T CA 0.755 62.852 62.100 -0.005 0.000 1.036 135 T CB 0.474 69.314 68.868 -0.046 0.000 0.994 135 T HN 1.502 nan 8.240 nan 0.000 0.489 136 G N 1.748 110.532 108.800 -0.027 0.000 2.162 136 G HA2 -0.202 3.759 3.960 0.003 0.000 0.260 136 G HA3 -0.202 3.759 3.960 0.003 0.000 0.260 136 G C -0.027 174.856 174.900 -0.029 0.000 0.976 136 G CA 0.236 45.319 45.100 -0.028 0.000 0.655 136 G HN 0.688 nan 8.290 nan 0.000 0.533 137 I N 0.621 121.176 120.570 -0.025 0.000 2.330 137 I HA 0.291 4.462 4.170 0.003 0.000 0.289 137 I C 1.491 177.633 176.117 0.042 0.000 1.001 137 I CA -0.901 60.422 61.300 0.038 0.000 1.193 137 I CB 1.359 39.399 38.000 0.067 0.000 1.345 137 I HN -0.026 nan 8.210 nan 0.000 0.461 138 K N 3.590 124.026 120.400 0.060 0.000 2.001 138 K HA -0.179 4.143 4.320 0.003 0.000 0.214 138 K C 1.817 178.454 176.600 0.061 0.000 1.050 138 K CA 1.360 57.695 56.287 0.081 0.000 0.934 138 K CB -0.181 32.371 32.500 0.086 0.000 0.718 138 K HN 0.546 nan 8.250 nan 0.000 0.443 139 V N 1.226 121.168 119.914 0.046 0.000 2.490 139 V HA -0.204 3.918 4.120 0.003 0.000 0.250 139 V C 2.012 178.089 176.094 -0.028 0.000 1.061 139 V CA 1.511 63.805 62.300 -0.010 0.000 1.064 139 V CB -0.015 31.816 31.823 0.012 0.000 0.670 139 V HN 0.149 nan 8.190 nan 0.000 0.461 140 V N 0.253 120.144 119.914 -0.039 0.000 2.255 140 V HA -0.161 3.961 4.120 0.003 0.000 0.243 140 V C 2.356 178.363 176.094 -0.145 0.000 1.038 140 V CA 2.244 64.452 62.300 -0.155 0.000 1.008 140 V CB -0.857 30.755 31.823 -0.351 0.000 0.645 140 V HN 0.535 nan 8.190 nan 0.000 0.449 141 D N 0.003 120.342 120.400 -0.101 0.000 2.158 141 D HA -0.183 4.459 4.640 0.003 0.000 0.197 141 D C 1.902 178.268 176.300 0.111 0.000 0.995 141 D CA 1.358 55.348 54.000 -0.017 0.000 0.846 141 D CB -0.166 40.622 40.800 -0.021 0.000 0.941 141 D HN 0.357 nan 8.370 nan 0.000 0.456 142 L N -0.291 120.974 121.223 0.071 0.000 2.071 142 L HA 0.022 4.363 4.340 0.003 0.000 0.201 142 L C 2.100 179.062 176.870 0.154 0.000 1.076 142 L CA 1.188 56.107 54.840 0.130 0.000 0.755 142 L CB -0.085 41.928 42.059 -0.076 0.000 0.915 142 L HN -0.054 nan 8.230 nan 0.000 0.445 143 L N -1.035 120.189 121.223 0.000 0.000 2.357 143 L HA 0.319 4.661 4.340 0.003 0.000 0.211 143 L C 0.747 177.607 176.870 -0.016 0.000 1.075 143 L CA 0.495 55.311 54.840 -0.040 0.000 0.830 143 L CB -0.125 41.886 42.059 -0.081 0.000 0.996 143 L HN 0.248 nan 8.230 nan 0.000 0.467 144 A N 0.465 123.285 122.820 0.000 0.000 3.453 144 A HA 0.454 4.776 4.320 0.003 0.000 0.262 144 A C -2.684 174.908 177.584 0.013 0.000 1.026 144 A CA -0.788 51.267 52.037 0.030 0.000 0.938 144 A CB -0.145 18.899 19.000 0.072 0.000 1.246 144 A HN -0.144 nan 8.150 nan 0.000 0.546 145 P HA 0.275 nan 4.420 nan 0.000 0.277 145 P C -0.589 176.778 177.300 0.111 0.000 1.240 145 P CA 0.046 63.120 63.100 -0.043 0.000 0.798 145 P CB 0.535 32.273 31.700 0.062 0.000 0.979 146 Y N -0.014 120.326 120.300 0.067 0.000 2.300 146 Y HA 0.454 5.006 4.550 0.003 0.000 0.328 146 Y C 1.173 177.096 175.900 0.039 0.000 1.270 146 Y CA -1.228 56.900 58.100 0.047 0.000 1.352 146 Y CB 0.817 39.301 38.460 0.040 0.000 1.286 146 Y HN 0.381 nan 8.280 nan 0.000 0.536 147 A N 2.312 125.247 122.820 0.191 0.000 2.340 147 A HA 0.446 4.768 4.320 0.003 0.000 0.331 147 A C -0.857 176.767 177.584 0.067 0.000 1.140 147 A CA -1.117 50.982 52.037 0.103 0.000 0.801 147 A CB 0.761 19.802 19.000 0.069 0.000 1.234 147 A HN 0.761 nan 8.150 nan 0.000 0.469 148 K N 0.589 121.020 120.400 0.052 0.000 2.412 148 K HA 0.365 4.687 4.320 0.003 0.000 0.281 148 K C 1.040 177.643 176.600 0.004 0.000 1.027 148 K CA 1.163 57.466 56.287 0.028 0.000 0.989 148 K CB 0.365 32.885 32.500 0.035 0.000 0.935 148 K HN 1.491 nan 8.250 nan 0.000 0.475 149 G N 2.064 110.852 108.800 -0.021 0.000 2.153 149 G HA2 -0.246 3.716 3.960 0.003 0.000 0.252 149 G HA3 -0.246 3.716 3.960 0.003 0.000 0.252 149 G C 0.396 175.271 174.900 -0.042 0.000 0.994 149 G CA 0.015 45.094 45.100 -0.034 0.000 0.698 149 G HN 0.847 nan 8.290 nan 0.000 0.521 150 G N -0.863 107.908 108.800 -0.048 0.000 2.488 150 G HA2 0.591 4.553 3.960 0.003 0.000 0.318 150 G HA3 0.591 4.553 3.960 0.003 0.000 0.318 150 G C -0.142 174.704 174.900 -0.090 0.000 1.188 150 G CA -0.809 44.264 45.100 -0.045 0.000 0.944 150 G HN 0.302 nan 8.290 nan 0.000 0.495 151 K N 0.658 121.015 120.400 -0.072 0.000 2.292 151 K HA 0.331 4.653 4.320 0.003 0.000 0.270 151 K C -0.684 175.847 176.600 -0.115 0.000 1.062 151 K CA -0.150 56.079 56.287 -0.097 0.000 0.916 151 K CB 1.329 33.802 32.500 -0.044 0.000 1.166 151 K HN 0.255 nan 8.250 nan 0.000 0.458 152 I N 1.038 121.477 120.570 -0.219 0.000 2.488 152 I HA 0.357 4.528 4.170 0.003 0.000 0.299 152 I C 0.650 176.628 176.117 -0.232 0.000 0.984 152 I CA -0.418 60.703 61.300 -0.298 0.000 1.250 152 I CB 1.879 39.465 38.000 -0.690 0.000 1.389 152 I HN 0.537 nan 8.210 nan 0.000 0.488 153 G N 5.723 114.432 108.800 -0.152 0.000 2.643 153 G HA2 0.663 4.624 3.960 0.003 0.000 0.305 153 G HA3 0.663 4.624 3.960 0.003 0.000 0.305 153 G C -1.073 173.732 174.900 -0.159 0.000 1.387 153 G CA -0.560 44.404 45.100 -0.227 0.000 0.982 153 G HN 0.447 nan 8.290 nan 0.000 0.501 154 L N 2.531 123.611 121.223 -0.239 0.000 2.321 154 L HA 0.384 4.726 4.340 0.003 0.000 0.272 154 L C -0.681 176.087 176.870 -0.171 0.000 1.050 154 L CA -0.611 54.186 54.840 -0.072 0.000 0.893 154 L CB 0.321 42.388 42.059 0.014 0.000 1.272 154 L HN 0.336 nan 8.230 nan 0.000 0.435 155 F N 1.446 121.384 119.950 -0.020 0.000 2.456 155 F HA 0.576 5.104 4.527 0.002 0.000 0.358 155 F C 1.142 176.945 175.800 0.005 0.000 1.095 155 F CA -0.097 57.874 58.000 -0.048 0.000 1.216 155 F CB 1.342 40.294 39.000 -0.080 0.000 1.125 155 F HN 0.398 nan 8.300 nan 0.000 0.549 156 G N 1.320 110.195 108.800 0.125 0.000 2.755 156 G HA2 0.510 4.472 3.960 0.003 0.000 0.297 156 G HA3 0.510 4.472 3.960 0.003 0.000 0.297 156 G C -0.527 174.388 174.900 0.025 0.000 1.441 156 G CA -0.451 44.705 45.100 0.093 0.000 0.964 156 G HN 0.924 nan 8.290 nan 0.000 0.540 157 G N -0.328 108.469 108.800 -0.005 0.000 2.516 157 G HA2 0.631 4.593 3.960 0.003 0.000 0.276 157 G HA3 0.631 4.593 3.960 0.003 0.000 0.276 157 G C 0.685 175.651 174.900 0.111 0.000 1.390 157 G CA 0.292 45.353 45.100 -0.065 0.000 1.050 157 G HN 1.592 nan 8.290 nan 0.000 0.519 158 A N -1.105 121.825 122.820 0.183 0.000 2.476 158 A HA 0.527 4.849 4.320 0.003 0.000 0.275 158 A C 1.358 179.017 177.584 0.124 0.000 1.133 158 A CA 0.901 53.083 52.037 0.242 0.000 0.797 158 A CB -0.870 18.274 19.000 0.240 0.000 1.081 158 A HN 2.500 nan 8.150 nan 0.000 0.510 159 G N 1.212 110.076 108.800 0.107 0.000 2.182 159 G HA2 -0.141 3.821 3.960 0.003 0.000 0.248 159 G HA3 -0.141 3.821 3.960 0.003 0.000 0.248 159 G C 0.611 175.554 174.900 0.072 0.000 1.042 159 G CA 0.725 45.863 45.100 0.064 0.000 0.775 159 G HN 2.057 nan 8.290 nan 0.000 0.501 160 V N -3.984 115.985 119.914 0.091 0.000 3.431 160 V HA 0.691 4.813 4.120 0.003 0.000 0.253 160 V C 1.631 177.816 176.094 0.153 0.000 1.184 160 V CA 1.267 63.634 62.300 0.111 0.000 1.104 160 V CB 0.583 32.451 31.823 0.074 0.000 0.799 160 V HN 2.105 nan 8.190 nan 0.000 0.462 161 G N 0.326 109.194 108.800 0.112 0.000 2.332 161 G HA2 -0.088 3.874 3.960 0.003 0.000 0.216 161 G HA3 -0.088 3.874 3.960 0.003 0.000 0.216 161 G C 0.399 175.372 174.900 0.122 0.000 1.041 161 G CA 0.123 45.283 45.100 0.101 0.000 0.836 161 G HN 0.373 nan 8.290 nan 0.000 0.530 162 K N -0.147 120.323 120.400 0.117 0.000 1.984 162 K HA -0.020 4.302 4.320 0.003 0.000 0.209 162 K C 2.543 179.229 176.600 0.143 0.000 1.046 162 K CA 1.889 58.252 56.287 0.127 0.000 0.934 162 K CB -0.248 32.315 32.500 0.106 0.000 0.717 162 K HN 0.220 nan 8.250 nan 0.000 0.438 163 T N 1.390 116.023 114.554 0.130 0.000 2.708 163 T HA -0.118 4.233 4.350 0.003 0.000 0.266 163 T C 2.084 176.880 174.700 0.159 0.000 1.037 163 T CA 1.168 63.358 62.100 0.150 0.000 1.146 163 T CB -0.291 68.660 68.868 0.138 0.000 0.865 163 T HN -0.068 nan 8.240 nan 0.000 0.435 164 V N 1.699 121.699 119.914 0.144 0.000 2.252 164 V HA -0.171 3.951 4.120 0.003 0.000 0.249 164 V C 2.454 178.718 176.094 0.283 0.000 1.056 164 V CA 1.658 64.073 62.300 0.190 0.000 1.022 164 V CB -0.742 31.152 31.823 0.119 0.000 0.641 164 V HN 0.332 nan 8.190 nan 0.000 0.445 165 L N -0.265 121.146 121.223 0.313 0.000 2.013 165 L HA -0.204 4.138 4.340 0.003 0.000 0.212 165 L C 2.141 179.160 176.870 0.248 0.000 1.073 165 L CA 2.064 57.140 54.840 0.393 0.000 0.753 165 L CB -0.673 41.595 42.059 0.348 0.000 0.890 165 L HN 0.317 nan 8.230 nan 0.000 0.432 166 I N -1.681 119.015 120.570 0.210 0.000 2.439 166 I HA -0.270 3.902 4.170 0.003 0.000 0.251 166 I C 2.098 178.277 176.117 0.103 0.000 1.139 166 I CA 0.689 62.106 61.300 0.195 0.000 1.438 166 I CB 0.039 38.177 38.000 0.230 0.000 1.085 166 I HN 0.274 nan 8.210 nan 0.000 0.427 167 M N 0.027 119.684 119.600 0.094 0.000 2.159 167 M HA -0.230 4.252 4.480 0.003 0.000 0.263 167 M C 2.119 178.402 176.300 -0.027 0.000 1.063 167 M CA 1.639 56.949 55.300 0.017 0.000 1.110 167 M CB -1.345 31.289 32.600 0.057 0.000 1.374 167 M HN 0.197 nan 8.290 nan 0.000 0.411 168 E N 0.340 120.534 120.200 -0.011 0.000 2.107 168 E HA -0.047 4.305 4.350 0.003 0.000 0.191 168 E C 2.039 178.562 176.600 -0.128 0.000 0.982 168 E CA 0.845 57.151 56.400 -0.158 0.000 0.809 168 E CB -0.195 29.216 29.700 -0.483 0.000 0.756 168 E HN 0.483 nan 8.360 nan 0.000 0.459 169 L N 0.115 121.328 121.223 -0.016 0.000 2.141 169 L HA -0.110 4.232 4.340 0.003 0.000 0.209 169 L C 2.295 179.186 176.870 0.034 0.000 1.094 169 L CA 0.817 55.709 54.840 0.086 0.000 0.763 169 L CB -0.295 41.921 42.059 0.262 0.000 0.908 169 L HN 0.230 nan 8.230 nan 0.000 0.437 170 I N -0.158 120.326 120.570 -0.143 0.000 2.353 170 I HA -0.263 3.909 4.170 0.003 0.000 0.248 170 I C 2.285 178.315 176.117 -0.144 0.000 1.119 170 I CA 1.303 62.411 61.300 -0.320 0.000 1.417 170 I CB -0.244 37.458 38.000 -0.497 0.000 1.078 170 I HN 0.348 nan 8.210 nan 0.000 0.421 171 N N 1.213 119.849 118.700 -0.107 0.000 2.109 171 N HA -0.171 4.570 4.740 0.003 0.000 0.188 171 N C 1.590 177.068 175.510 -0.053 0.000 1.034 171 N CA 1.596 54.600 53.050 -0.077 0.000 0.846 171 N CB -0.049 38.390 38.487 -0.079 0.000 1.010 171 N HN 0.094 nan 8.380 nan 0.000 0.425 172 N N -0.762 117.901 118.700 -0.062 0.000 2.309 172 N HA -0.046 4.695 4.740 0.003 0.000 0.182 172 N C 1.062 176.577 175.510 0.008 0.000 1.018 172 N CA 0.830 53.855 53.050 -0.042 0.000 0.876 172 N CB 0.134 38.575 38.487 -0.077 0.000 0.972 172 N HN 0.193 nan 8.380 nan 0.000 0.434 173 V N -0.960 118.976 119.914 0.037 0.000 3.359 173 V HA 0.306 4.428 4.120 0.003 0.000 0.245 173 V C 1.756 177.908 176.094 0.098 0.000 1.247 173 V CA 0.818 63.167 62.300 0.082 0.000 1.145 173 V CB 0.177 32.075 31.823 0.126 0.000 0.906 173 V HN 0.172 nan 8.190 nan 0.000 0.464 174 A N -0.143 122.725 122.820 0.080 0.000 2.081 174 A HA 0.038 4.360 4.320 0.003 0.000 0.214 174 A C 2.119 179.767 177.584 0.108 0.000 1.158 174 A CA 0.873 52.971 52.037 0.102 0.000 0.724 174 A CB -0.132 18.892 19.000 0.041 0.000 0.826 174 A HN 0.419 nan 8.150 nan 0.000 0.463 175 K N 0.073 120.507 120.400 0.056 0.000 2.002 175 K HA -0.024 4.298 4.320 0.003 0.000 0.209 175 K C 1.495 178.135 176.600 0.067 0.000 1.048 175 K CA 1.240 57.555 56.287 0.046 0.000 0.930 175 K CB -0.222 32.286 32.500 0.014 0.000 0.714 175 K HN 0.357 nan 8.250 nan 0.000 0.438 176 A N 1.381 124.245 122.820 0.072 0.000 2.503 176 A HA -0.005 4.316 4.320 0.003 0.000 0.263 176 A C -0.499 177.155 177.584 0.116 0.000 1.360 176 A CA -0.015 52.063 52.037 0.069 0.000 0.969 176 A CB -0.714 18.316 19.000 0.049 0.000 1.000 176 A HN 0.250 nan 8.150 nan 0.000 0.530 177 H N -1.272 117.809 119.070 0.019 0.000 2.488 177 H HA 0.510 5.067 4.556 0.003 0.000 0.322 177 H C 1.327 176.645 175.328 -0.017 0.000 1.078 177 H CA 0.076 56.133 56.048 0.014 0.000 1.260 177 H CB 1.321 31.111 29.762 0.046 0.000 1.425 177 H HN 0.094 nan 8.280 nan 0.000 0.471 178 G N 2.960 111.492 108.800 -0.446 0.000 2.448 178 G HA2 -0.030 3.932 3.960 0.003 0.000 0.218 178 G HA3 -0.030 3.932 3.960 0.003 0.000 0.218 178 G C 0.970 175.524 174.900 -0.576 0.000 1.135 178 G CA 0.492 45.349 45.100 -0.404 0.000 0.784 178 G HN 0.747 nan 8.290 nan 0.000 0.543 179 G N -1.026 107.143 108.800 -1.052 0.000 2.928 179 G HA2 0.498 4.460 3.960 0.003 0.000 0.163 179 G HA3 0.498 4.460 3.960 0.003 0.000 0.163 179 G C -0.813 173.819 174.900 -0.446 0.000 1.573 179 G CA -0.849 43.793 45.100 -0.762 0.000 1.084 179 G HN 0.237 nan 8.290 nan 0.000 0.569 180 Y N -1.024 119.244 120.300 -0.054 0.000 2.468 180 Y HA 0.570 5.122 4.550 0.003 0.000 0.342 180 Y C 0.351 176.297 175.900 0.077 0.000 1.021 180 Y CA -0.873 57.157 58.100 -0.116 0.000 1.079 180 Y CB 2.502 40.580 38.460 -0.636 0.000 1.226 180 Y HN 0.301 nan 8.280 nan 0.000 0.460 181 S N 1.395 117.262 115.700 0.279 0.000 2.578 181 S HA 0.704 5.176 4.470 0.003 0.000 0.301 181 S C -1.040 173.719 174.600 0.264 0.000 1.091 181 S CA -0.689 57.677 58.200 0.277 0.000 1.032 181 S CB 1.626 65.019 63.200 0.321 0.000 1.064 181 S HN 0.333 nan 8.310 nan 0.000 0.508 182 V N 3.128 123.218 119.914 0.294 0.000 2.577 182 V HA 0.498 4.619 4.120 0.003 0.000 0.303 182 V C -1.156 175.130 176.094 0.320 0.000 1.042 182 V CA -0.693 61.769 62.300 0.271 0.000 0.872 182 V CB 1.455 33.403 31.823 0.208 0.000 0.998 182 V HN 0.843 nan 8.190 nan 0.000 0.423 183 F N 3.796 123.830 119.950 0.140 0.000 2.444 183 F HA 0.802 5.331 4.527 0.003 0.000 0.342 183 F C 0.270 176.019 175.800 -0.084 0.000 1.121 183 F CA -0.423 57.623 58.000 0.077 0.000 0.997 183 F CB 1.373 40.412 39.000 0.065 0.000 1.130 183 F HN 0.573 nan 8.300 nan 0.000 0.454 184 A N 4.164 126.692 122.820 -0.486 0.000 2.304 184 A HA 0.642 4.964 4.320 0.003 0.000 0.314 184 A C -0.184 177.026 177.584 -0.624 0.000 1.187 184 A CA -0.433 51.353 52.037 -0.419 0.000 0.810 184 A CB 0.636 19.459 19.000 -0.296 0.000 1.183 184 A HN 1.009 nan 8.150 nan 0.000 0.487 185 G N 1.335 109.749 108.800 -0.643 0.000 2.457 185 G HA2 0.492 4.454 3.960 0.003 0.000 0.316 185 G HA3 0.492 4.454 3.960 0.003 0.000 0.316 185 G C -0.623 174.166 174.900 -0.185 0.000 1.030 185 G CA -0.145 44.674 45.100 -0.468 0.000 1.073 185 G HN 0.696 nan 8.290 nan 0.000 0.430 186 V N 2.944 122.790 119.914 -0.113 0.000 2.275 186 V HA 0.551 4.673 4.120 0.003 0.000 0.272 186 V C 1.213 177.316 176.094 0.016 0.000 1.028 186 V CA 0.384 62.657 62.300 -0.045 0.000 0.810 186 V CB 0.589 32.376 31.823 -0.061 0.000 1.043 186 V HN 1.258 nan 8.190 nan 0.000 0.453 187 G N 3.353 112.176 108.800 0.038 0.000 2.179 187 G HA2 -0.197 3.765 3.960 0.003 0.000 0.257 187 G HA3 -0.197 3.765 3.960 0.003 0.000 0.257 187 G C 0.244 175.180 174.900 0.060 0.000 1.010 187 G CA 0.433 45.560 45.100 0.045 0.000 0.736 187 G HN 0.560 nan 8.290 nan 0.000 0.513 188 E N -0.558 119.697 120.200 0.091 0.000 3.232 188 E HA 0.473 4.825 4.350 0.003 0.000 0.248 188 E C 0.938 177.607 176.600 0.114 0.000 1.048 188 E CA -0.888 55.573 56.400 0.102 0.000 1.204 188 E CB 0.391 30.171 29.700 0.132 0.000 1.535 188 E HN 0.369 nan 8.360 nan 0.000 0.567 189 R N 0.287 120.858 120.500 0.118 0.000 2.347 189 R HA 0.182 4.524 4.340 0.003 0.000 0.304 189 R C 1.147 177.514 176.300 0.112 0.000 1.072 189 R CA 0.100 56.258 56.100 0.097 0.000 0.980 189 R CB 0.358 30.706 30.300 0.081 0.000 0.986 189 R HN 0.383 nan 8.270 nan 0.000 0.448 190 T N 2.134 116.734 114.554 0.076 0.000 2.833 190 T HA -0.176 4.176 4.350 0.003 0.000 0.269 190 T C 1.736 176.438 174.700 0.004 0.000 1.054 190 T CA 1.174 63.296 62.100 0.037 0.000 1.135 190 T CB -0.121 68.756 68.868 0.016 0.000 0.869 190 T HN 0.529 nan 8.240 nan 0.000 0.466 191 R N 1.276 121.791 120.500 0.026 0.000 2.096 191 R HA -0.116 4.226 4.340 0.003 0.000 0.235 191 R C 2.052 178.369 176.300 0.028 0.000 1.127 191 R CA 1.589 57.703 56.100 0.023 0.000 0.968 191 R CB -0.146 30.174 30.300 0.033 0.000 0.861 191 R HN 0.468 nan 8.270 nan 0.000 0.440 192 E N -0.910 119.323 120.200 0.054 0.000 2.204 192 E HA -0.118 4.234 4.350 0.003 0.000 0.195 192 E C 1.766 178.380 176.600 0.024 0.000 0.990 192 E CA 1.055 57.495 56.400 0.067 0.000 0.821 192 E CB -0.071 29.703 29.700 0.124 0.000 0.750 192 E HN 0.606 nan 8.360 nan 0.000 0.477 193 G N 0.916 109.694 108.800 -0.037 0.000 2.395 193 G HA2 -0.281 3.681 3.960 0.003 0.000 0.214 193 G HA3 -0.281 3.681 3.960 0.003 0.000 0.214 193 G C 1.386 176.122 174.900 -0.273 0.000 1.177 193 G CA 0.713 45.617 45.100 -0.328 0.000 0.794 193 G HN 0.184 nan 8.290 nan 0.000 0.532 194 N N 0.847 119.464 118.700 -0.139 0.000 2.036 194 N HA -0.150 4.592 4.740 0.003 0.000 0.195 194 N C 1.784 177.376 175.510 0.136 0.000 1.037 194 N CA 1.881 54.960 53.050 0.048 0.000 0.855 194 N CB -0.225 38.307 38.487 0.075 0.000 1.033 194 N HN 0.119 nan 8.380 nan 0.000 0.423 195 D N -0.298 120.135 120.400 0.056 0.000 2.126 195 D HA -0.179 4.462 4.640 0.003 0.000 0.190 195 D C 1.809 178.121 176.300 0.020 0.000 1.001 195 D CA 0.915 54.942 54.000 0.044 0.000 0.841 195 D CB -0.534 40.280 40.800 0.024 0.000 0.949 195 D HN 0.257 nan 8.370 nan 0.000 0.446 196 L N -0.329 120.871 121.223 -0.038 0.000 2.141 196 L HA -0.125 4.217 4.340 0.003 0.000 0.209 196 L C 2.004 178.840 176.870 -0.056 0.000 1.094 196 L CA 1.383 56.162 54.840 -0.102 0.000 0.763 196 L CB -0.823 41.091 42.059 -0.240 0.000 0.908 196 L HN 0.084 nan 8.230 nan 0.000 0.437 197 Y N -0.300 119.880 120.300 -0.200 0.000 2.133 197 Y HA -0.227 4.325 4.550 0.003 0.000 0.287 197 Y C 2.685 178.416 175.900 -0.280 0.000 1.134 197 Y CA 2.055 59.990 58.100 -0.274 0.000 1.133 197 Y CB -0.404 37.817 38.460 -0.398 0.000 0.987 197 Y HN 0.368 nan 8.280 nan 0.000 0.502 198 H N -0.608 118.381 119.070 -0.135 0.000 2.529 198 H HA 0.003 4.560 4.556 0.003 0.000 0.277 198 H C 1.785 177.019 175.328 -0.158 0.000 0.999 198 H CA 1.225 57.146 56.048 -0.212 0.000 1.256 198 H CB 0.150 29.842 29.762 -0.117 0.000 1.402 198 H HN 0.539 nan 8.280 nan 0.000 0.566 199 E N 0.224 120.407 120.200 -0.028 0.000 2.216 199 E HA -0.028 4.324 4.350 0.003 0.000 0.192 199 E C 1.980 178.531 176.600 -0.082 0.000 0.988 199 E CA 0.332 56.703 56.400 -0.048 0.000 0.834 199 E CB 0.238 29.911 29.700 -0.046 0.000 0.772 199 E HN 0.344 nan 8.360 nan 0.000 0.479 200 M N -0.106 119.424 119.600 -0.115 0.000 2.334 200 M HA -0.011 4.470 4.480 0.003 0.000 0.266 200 M C 2.030 178.250 176.300 -0.134 0.000 1.082 200 M CA 0.849 56.083 55.300 -0.111 0.000 1.141 200 M CB 0.068 32.612 32.600 -0.092 0.000 1.380 200 M HN 0.131 nan 8.290 nan 0.000 0.440 201 I N 0.257 120.696 120.570 -0.218 0.000 2.226 201 I HA -0.277 3.895 4.170 0.003 0.000 0.245 201 I C 2.439 178.486 176.117 -0.116 0.000 1.100 201 I CA 1.339 62.514 61.300 -0.208 0.000 1.374 201 I CB -0.382 37.428 38.000 -0.317 0.000 1.057 201 I HN 0.293 nan 8.210 nan 0.000 0.413 202 E N 1.399 121.544 120.200 -0.093 0.000 2.051 202 E HA -0.231 4.120 4.350 0.003 0.000 0.192 202 E C 2.188 178.758 176.600 -0.051 0.000 0.991 202 E CA 2.037 58.401 56.400 -0.060 0.000 0.799 202 E CB -0.192 29.479 29.700 -0.047 0.000 0.748 202 E HN 0.436 nan 8.360 nan 0.000 0.449 203 S N -1.515 114.152 115.700 -0.054 0.000 2.489 203 S HA 0.138 4.609 4.470 0.003 0.000 0.228 203 S C 1.763 176.342 174.600 -0.035 0.000 0.995 203 S CA 0.931 59.106 58.200 -0.042 0.000 0.934 203 S CB -0.088 63.086 63.200 -0.043 0.000 0.771 203 S HN 0.695 nan 8.310 nan 0.000 0.522 204 G N 0.394 109.167 108.800 -0.044 0.000 2.232 204 G HA2 -0.354 3.608 3.960 0.003 0.000 0.226 204 G HA3 -0.354 3.608 3.960 0.003 0.000 0.226 204 G C 1.008 175.894 174.900 -0.023 0.000 0.996 204 G CA 0.456 45.536 45.100 -0.034 0.000 0.626 204 G HN 1.384 nan 8.290 nan 0.000 0.509 205 V N -0.819 119.084 119.914 -0.018 0.000 2.568 205 V HA 0.267 4.389 4.120 0.003 0.000 0.253 205 V C 1.438 177.536 176.094 0.007 0.000 1.072 205 V CA 1.643 63.947 62.300 0.006 0.000 1.084 205 V CB -0.456 31.377 31.823 0.015 0.000 0.676 205 V HN 0.523 nan 8.190 nan 0.000 0.469 206 I N 1.762 122.317 120.570 -0.025 0.000 2.412 206 I HA 0.452 4.624 4.170 0.003 0.000 0.296 206 I C -0.303 175.782 176.117 -0.054 0.000 0.987 206 I CA -0.201 61.082 61.300 -0.030 0.000 1.180 206 I CB 1.472 39.438 38.000 -0.057 0.000 1.340 206 I HN 0.180 nan 8.210 nan 0.000 0.455 207 N N 6.122 124.803 118.700 -0.031 0.000 2.296 207 N HA 0.380 5.122 4.740 0.003 0.000 0.294 207 N C -0.081 175.415 175.510 -0.023 0.000 1.033 207 N CA -0.494 52.536 53.050 -0.033 0.000 0.839 207 N CB 2.263 40.741 38.487 -0.015 0.000 1.395 207 N HN 0.573 nan 8.380 nan 0.000 0.479 208 L N 2.182 123.386 121.223 -0.032 0.000 2.592 208 L HA 0.179 4.521 4.340 0.003 0.000 0.227 208 L C 1.431 178.300 176.870 -0.001 0.000 1.127 208 L CA 0.342 55.175 54.840 -0.012 0.000 0.884 208 L CB 0.049 42.097 42.059 -0.018 0.000 1.065 208 L HN 0.323 nan 8.230 nan 0.000 0.457 209 K N -0.204 120.193 120.400 -0.005 0.000 2.399 209 K HA 0.160 4.482 4.320 0.003 0.000 0.196 209 K C 0.060 176.662 176.600 0.003 0.000 1.117 209 K CA 0.362 56.648 56.287 -0.001 0.000 0.965 209 K CB 0.609 33.107 32.500 -0.004 0.000 0.983 209 K HN 0.355 nan 8.250 nan 0.000 0.531 210 D N -1.301 119.101 120.400 0.004 0.000 2.837 210 D HA 0.360 5.002 4.640 0.003 0.000 0.294 210 D C -0.504 175.803 176.300 0.011 0.000 1.158 210 D CA -0.820 53.184 54.000 0.008 0.000 1.073 210 D CB 0.394 41.198 40.800 0.007 0.000 1.419 210 D HN -0.159 nan 8.370 nan 0.000 0.584 211 A N -0.662 122.168 122.820 0.016 0.000 2.708 211 A HA 0.348 4.669 4.320 0.003 0.000 0.293 211 A C 0.914 178.515 177.584 0.029 0.000 1.303 211 A CA 0.268 52.318 52.037 0.021 0.000 0.949 211 A CB -0.997 18.018 19.000 0.025 0.000 1.121 211 A HN 0.562 nan 8.150 nan 0.000 0.542 212 T N -2.468 112.101 114.554 0.026 0.000 3.144 212 T HA 0.145 4.497 4.350 0.003 0.000 0.249 212 T C 0.595 175.319 174.700 0.040 0.000 1.089 212 T CA 0.214 62.335 62.100 0.035 0.000 0.989 212 T CB -0.414 68.468 68.868 0.023 0.000 0.992 212 T HN 0.200 nan 8.240 nan 0.000 0.540 213 S N 1.952 117.670 115.700 0.030 0.000 2.549 213 S HA 0.212 4.683 4.470 0.003 0.000 0.286 213 S C 0.781 175.409 174.600 0.045 0.000 1.314 213 S CA -0.473 57.745 58.200 0.029 0.000 1.062 213 S CB 0.942 64.154 63.200 0.019 0.000 0.865 213 S HN 0.424 nan 8.310 nan 0.000 0.498 214 K N 1.083 121.527 120.400 0.073 0.000 2.387 214 K HA 0.274 4.596 4.320 0.003 0.000 0.203 214 K C -0.811 175.865 176.600 0.126 0.000 1.030 214 K CA 0.120 56.494 56.287 0.146 0.000 1.099 214 K CB 0.662 33.261 32.500 0.164 0.000 0.863 214 K HN 0.348 nan 8.250 nan 0.000 0.529 215 V N 1.052 121.013 119.914 0.078 0.000 2.686 215 V HA 0.490 4.611 4.120 0.003 0.000 0.306 215 V C -0.900 175.262 176.094 0.114 0.000 1.065 215 V CA -1.164 61.205 62.300 0.116 0.000 0.894 215 V CB 1.721 33.617 31.823 0.122 0.000 1.004 215 V HN 0.126 nan 8.190 nan 0.000 0.424 216 A N 5.450 128.366 122.820 0.161 0.000 2.324 216 A HA 0.946 5.268 4.320 0.003 0.000 0.330 216 A C -0.895 176.802 177.584 0.187 0.000 1.165 216 A CA -0.536 51.598 52.037 0.162 0.000 0.813 216 A CB 0.897 20.019 19.000 0.203 0.000 1.197 216 A HN 0.790 nan 8.150 nan 0.000 0.484 217 L N 1.861 123.186 121.223 0.171 0.000 2.346 217 L HA 0.729 5.070 4.340 0.003 0.000 0.274 217 L C -1.017 175.956 176.870 0.171 0.000 1.007 217 L CA -0.998 53.984 54.840 0.236 0.000 0.818 217 L CB 1.979 44.233 42.059 0.325 0.000 1.284 217 L HN 0.409 nan 8.230 nan 0.000 0.424 218 V N 2.084 122.070 119.914 0.121 0.000 2.569 218 V HA 0.438 4.560 4.120 0.003 0.000 0.301 218 V C -1.389 174.663 176.094 -0.070 0.000 1.044 218 V CA -0.646 61.683 62.300 0.049 0.000 0.874 218 V CB 1.810 33.620 31.823 -0.021 0.000 1.002 218 V HN 0.449 nan 8.190 nan 0.000 0.424 219 Y N 1.576 121.898 120.300 0.037 0.000 2.425 219 Y HA 0.783 5.335 4.550 0.003 0.000 0.344 219 Y C 0.597 176.512 175.900 0.026 0.000 0.969 219 Y CA -0.661 57.468 58.100 0.048 0.000 1.052 219 Y CB 2.804 41.286 38.460 0.037 0.000 1.215 219 Y HN 0.727 nan 8.280 nan 0.000 0.451 220 G N 3.791 112.676 108.800 0.142 0.000 3.025 220 G HA2 0.309 4.271 3.960 0.003 0.000 0.305 220 G HA3 0.309 4.271 3.960 0.003 0.000 0.305 220 G C -1.081 173.877 174.900 0.097 0.000 1.568 220 G CA -0.603 44.555 45.100 0.097 0.000 0.916 220 G HN 0.329 nan 8.290 nan 0.000 0.502 221 Q N 1.269 121.144 119.800 0.125 0.000 2.171 221 Q HA 0.272 4.614 4.340 0.003 0.000 0.217 221 Q C 1.981 178.022 176.000 0.069 0.000 0.995 221 Q CA -0.815 55.058 55.803 0.118 0.000 0.979 221 Q CB 0.991 29.822 28.738 0.154 0.000 1.152 221 Q HN 0.729 nan 8.270 nan 0.000 0.525 222 M N -0.175 119.460 119.600 0.059 0.000 2.706 222 M HA -0.071 4.411 4.480 0.003 0.000 0.251 222 M C 0.747 177.064 176.300 0.028 0.000 1.070 222 M CA 1.274 56.595 55.300 0.036 0.000 1.073 222 M CB -0.471 32.146 32.600 0.028 0.000 1.449 222 M HN 0.372 nan 8.290 nan 0.000 0.531 223 N N 0.445 119.165 118.700 0.034 0.000 2.412 223 N HA 0.032 4.774 4.740 0.003 0.000 0.184 223 N C -0.187 175.336 175.510 0.022 0.000 1.101 223 N CA 0.272 53.337 53.050 0.025 0.000 0.881 223 N CB -0.078 38.425 38.487 0.026 0.000 0.969 223 N HN 0.452 nan 8.380 nan 0.000 0.459 224 E N 1.810 122.026 120.200 0.026 0.000 2.283 224 E HA 0.346 4.698 4.350 0.003 0.000 0.267 224 E C -2.246 174.360 176.600 0.011 0.000 1.045 224 E CA -1.839 54.573 56.400 0.021 0.000 0.884 224 E CB 1.019 30.736 29.700 0.028 0.000 1.106 224 E HN 0.212 nan 8.360 nan 0.000 0.408 225 P HA 0.076 nan 4.420 nan 0.000 0.274 225 P C -1.998 175.297 177.300 -0.008 0.000 1.237 225 P CA -1.162 61.937 63.100 -0.000 0.000 0.793 225 P CB 0.205 31.906 31.700 0.002 0.000 0.977 226 P HA -0.253 nan 4.420 nan 0.000 0.217 226 P C 1.687 178.962 177.300 -0.041 0.000 1.162 226 P CA 2.294 65.370 63.100 -0.039 0.000 0.901 226 P CB -0.857 30.816 31.700 -0.046 0.000 0.793 227 G N 0.345 109.130 108.800 -0.026 0.000 2.476 227 G HA2 -0.297 3.665 3.960 0.003 0.000 0.218 227 G HA3 -0.297 3.665 3.960 0.003 0.000 0.218 227 G C 1.871 176.770 174.900 -0.002 0.000 1.164 227 G CA 1.621 46.712 45.100 -0.015 0.000 0.768 227 G HN 0.424 nan 8.290 nan 0.000 0.560 228 A N 0.680 123.503 122.820 0.005 0.000 1.883 228 A HA -0.050 4.272 4.320 0.003 0.000 0.217 228 A C 2.467 180.060 177.584 0.014 0.000 1.186 228 A CA 1.767 53.813 52.037 0.015 0.000 0.624 228 A CB -0.405 18.606 19.000 0.018 0.000 0.822 228 A HN 0.385 nan 8.150 nan 0.000 0.444 229 R N -0.716 119.785 120.500 0.002 0.000 2.115 229 R HA 0.008 4.350 4.340 0.003 0.000 0.230 229 R C 2.252 178.555 176.300 0.005 0.000 1.111 229 R CA 0.996 57.097 56.100 0.001 0.000 0.976 229 R CB -0.374 29.917 30.300 -0.016 0.000 0.870 229 R HN 0.494 nan 8.270 nan 0.000 0.445 230 A N 0.639 123.438 122.820 -0.035 0.000 2.168 230 A HA -0.038 4.284 4.320 0.003 0.000 0.215 230 A C 1.700 179.337 177.584 0.089 0.000 1.152 230 A CA 0.921 52.912 52.037 -0.077 0.000 0.716 230 A CB 0.065 18.952 19.000 -0.187 0.000 0.794 230 A HN 0.058 nan 8.150 nan 0.000 0.465 231 R N -1.978 118.569 120.500 0.079 0.000 2.342 231 R HA 0.130 4.472 4.340 0.003 0.000 0.204 231 R C 1.784 178.101 176.300 0.028 0.000 0.882 231 R CA 0.858 57.003 56.100 0.074 0.000 1.041 231 R CB -1.252 29.082 30.300 0.057 0.000 1.188 231 R HN 0.321 nan 8.270 nan 0.000 0.598 232 V N 1.811 121.740 119.914 0.024 0.000 2.546 232 V HA -0.226 3.895 4.120 0.003 0.000 0.254 232 V C 2.076 178.141 176.094 -0.049 0.000 1.076 232 V CA 2.184 64.478 62.300 -0.010 0.000 1.087 232 V CB -0.414 31.408 31.823 -0.002 0.000 0.674 232 V HN 0.307 nan 8.190 nan 0.000 0.470 233 A N -0.477 122.322 122.820 -0.036 0.000 1.930 233 A HA -0.084 4.237 4.320 0.003 0.000 0.217 233 A C 2.107 179.597 177.584 -0.157 0.000 1.175 233 A CA 1.862 53.830 52.037 -0.116 0.000 0.627 233 A CB -0.445 18.470 19.000 -0.142 0.000 0.815 233 A HN 0.583 nan 8.150 nan 0.000 0.443 234 L N -0.828 120.312 121.223 -0.139 0.000 2.156 234 L HA -0.113 4.229 4.340 0.003 0.000 0.208 234 L C 2.686 179.472 176.870 -0.140 0.000 1.095 234 L CA 1.538 56.274 54.840 -0.173 0.000 0.770 234 L CB -1.035 40.886 42.059 -0.230 0.000 0.914 234 L HN 0.324 nan 8.230 nan 0.000 0.439 235 T N 0.010 114.500 114.554 -0.106 0.000 2.708 235 T HA -0.132 4.219 4.350 0.003 0.000 0.266 235 T C 1.896 176.545 174.700 -0.086 0.000 1.037 235 T CA 1.456 63.506 62.100 -0.084 0.000 1.146 235 T CB -0.594 68.240 68.868 -0.056 0.000 0.865 235 T HN 0.540 nan 8.240 nan 0.000 0.435 236 G N 2.013 110.758 108.800 -0.091 0.000 2.480 236 G HA2 -0.180 3.782 3.960 0.003 0.000 0.216 236 G HA3 -0.180 3.782 3.960 0.003 0.000 0.216 236 G C 1.539 176.393 174.900 -0.078 0.000 1.200 236 G CA 1.060 46.110 45.100 -0.084 0.000 0.782 236 G HN 0.439 nan 8.290 nan 0.000 0.554 237 L N 1.042 122.201 121.223 -0.108 0.000 2.064 237 L HA -0.150 4.192 4.340 0.003 0.000 0.216 237 L C 2.669 179.497 176.870 -0.070 0.000 1.077 237 L CA 3.031 57.810 54.840 -0.102 0.000 0.766 237 L CB -1.247 40.726 42.059 -0.144 0.000 0.890 237 L HN 0.219 nan 8.230 nan 0.000 0.435 238 T N -1.129 113.377 114.554 -0.079 0.000 2.867 238 T HA -0.102 4.250 4.350 0.003 0.000 0.268 238 T C 1.981 176.641 174.700 -0.067 0.000 1.057 238 T CA 1.340 63.401 62.100 -0.063 0.000 1.136 238 T CB -0.288 68.537 68.868 -0.071 0.000 0.874 238 T HN 0.241 nan 8.240 nan 0.000 0.466 239 V N 1.703 121.562 119.914 -0.092 0.000 2.307 239 V HA -0.161 3.961 4.120 0.003 0.000 0.245 239 V C 2.886 178.934 176.094 -0.077 0.000 1.045 239 V CA 1.676 63.883 62.300 -0.154 0.000 1.024 239 V CB -1.203 30.556 31.823 -0.105 0.000 0.651 239 V HN 0.512 nan 8.190 nan 0.000 0.449 240 A N -0.403 122.451 122.820 0.057 0.000 1.892 240 A HA -0.321 4.001 4.320 0.003 0.000 0.218 240 A C 2.161 179.827 177.584 0.135 0.000 1.188 240 A CA 2.318 54.449 52.037 0.157 0.000 0.631 240 A CB -0.601 18.437 19.000 0.064 0.000 0.822 240 A HN 0.637 nan 8.150 nan 0.000 0.447 241 E N -1.870 118.361 120.200 0.051 0.000 2.058 241 E HA -0.237 4.115 4.350 0.003 0.000 0.194 241 E C 1.908 178.543 176.600 0.059 0.000 0.997 241 E CA 1.560 57.985 56.400 0.040 0.000 0.801 241 E CB -0.344 29.362 29.700 0.010 0.000 0.746 241 E HN 0.792 nan 8.360 nan 0.000 0.450 242 Y N 0.224 120.465 120.300 -0.099 0.000 2.207 242 Y HA -0.254 4.297 4.550 0.003 0.000 0.287 242 Y C 1.792 177.676 175.900 -0.027 0.000 1.156 242 Y CA 1.627 59.648 58.100 -0.133 0.000 1.182 242 Y CB -0.274 38.008 38.460 -0.297 0.000 0.979 242 Y HN 0.013 nan 8.280 nan 0.000 0.521 243 F N -0.415 119.646 119.950 0.183 0.000 2.206 243 F HA -0.139 4.390 4.527 0.003 0.000 0.298 243 F C 2.756 178.589 175.800 0.055 0.000 1.090 243 F CA 0.951 59.054 58.000 0.172 0.000 1.323 243 F CB -0.242 38.915 39.000 0.262 0.000 1.028 243 F HN -0.068 nan 8.300 nan 0.000 0.492 244 R N 0.631 121.259 120.500 0.213 0.000 2.062 244 R HA -0.154 4.187 4.340 0.003 0.000 0.231 244 R C 1.488 177.797 176.300 0.015 0.000 1.136 244 R CA 2.195 58.350 56.100 0.092 0.000 0.948 244 R CB -0.238 30.098 30.300 0.058 0.000 0.845 244 R HN 0.166 nan 8.270 nan 0.000 0.430 245 D N -0.046 120.329 120.400 -0.041 0.000 2.255 245 D HA -0.071 4.570 4.640 0.003 0.000 0.224 245 D C 1.817 178.029 176.300 -0.147 0.000 0.997 245 D CA 0.764 54.713 54.000 -0.085 0.000 0.906 245 D CB -0.423 40.324 40.800 -0.088 0.000 1.047 245 D HN 0.105 nan 8.370 nan 0.000 0.458 246 Q N 0.394 120.001 119.800 -0.322 0.000 2.541 246 Q HA -0.010 4.332 4.340 0.003 0.000 0.215 246 Q C 0.774 176.621 176.000 -0.255 0.000 0.977 246 Q CA 0.710 56.267 55.803 -0.410 0.000 0.934 246 Q CB 0.309 28.519 28.738 -0.881 0.000 0.988 246 Q HN 0.531 nan 8.270 nan 0.000 0.521 247 E N -2.036 118.091 120.200 -0.123 0.000 2.505 247 E HA 0.171 4.523 4.350 0.003 0.000 0.212 247 E C 0.778 177.379 176.600 0.001 0.000 0.825 247 E CA 0.413 56.817 56.400 0.007 0.000 1.333 247 E CB 1.018 30.815 29.700 0.161 0.000 1.319 247 E HN 0.299 nan 8.360 nan 0.000 0.658 248 G N 1.569 110.366 108.800 -0.005 0.000 2.199 248 G HA2 -0.280 3.682 3.960 0.003 0.000 0.254 248 G HA3 -0.280 3.682 3.960 0.003 0.000 0.254 248 G C 0.485 175.382 174.900 -0.006 0.000 0.982 248 G CA 0.566 45.659 45.100 -0.011 0.000 0.632 248 G HN 0.111 nan 8.290 nan 0.000 0.529 249 Q N 0.845 120.645 119.800 -0.001 0.000 2.397 249 Q HA 0.491 4.833 4.340 0.003 0.000 0.193 249 Q C -0.052 175.938 176.000 -0.018 0.000 1.083 249 Q CA -0.183 55.589 55.803 -0.052 0.000 1.108 249 Q CB 0.166 28.806 28.738 -0.163 0.000 1.172 249 Q HN 0.328 nan 8.270 nan 0.000 0.617 250 D N -0.088 120.288 120.400 -0.040 0.000 2.344 250 D HA 0.203 4.845 4.640 0.003 0.000 0.253 250 D C -0.992 175.406 176.300 0.164 0.000 1.255 250 D CA 0.047 54.086 54.000 0.065 0.000 0.894 250 D CB 0.361 41.233 40.800 0.120 0.000 1.067 250 D HN 0.020 nan 8.370 nan 0.000 0.492 251 V N 3.971 123.956 119.914 0.119 0.000 2.394 251 V HA 0.277 4.398 4.120 0.003 0.000 0.282 251 V C 0.432 176.530 176.094 0.007 0.000 1.031 251 V CA -0.835 61.541 62.300 0.127 0.000 0.881 251 V CB 1.280 33.192 31.823 0.149 0.000 0.982 251 V HN 0.361 nan 8.190 nan 0.000 0.451 252 L N 5.445 126.643 121.223 -0.042 0.000 2.312 252 L HA 0.558 4.900 4.340 0.003 0.000 0.281 252 L C -0.584 176.175 176.870 -0.186 0.000 1.070 252 L CA -0.543 54.154 54.840 -0.239 0.000 0.805 252 L CB 1.466 43.410 42.059 -0.192 0.000 1.174 252 L HN 0.463 nan 8.230 nan 0.000 0.434 253 L N 3.741 124.713 121.223 -0.420 0.000 2.404 253 L HA 0.540 4.882 4.340 0.003 0.000 0.272 253 L C -1.340 175.228 176.870 -0.503 0.000 0.980 253 L CA 0.102 54.770 54.840 -0.286 0.000 0.836 253 L CB 1.247 43.199 42.059 -0.179 0.000 1.238 253 L HN 0.188 nan 8.230 nan 0.000 0.408 254 F N 5.903 125.765 119.950 -0.147 0.000 2.458 254 F HA 0.637 5.165 4.527 0.003 0.000 0.336 254 F C -0.003 175.463 175.800 -0.557 0.000 1.114 254 F CA -0.491 57.359 58.000 -0.251 0.000 0.987 254 F CB 1.552 40.515 39.000 -0.062 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.458 255 I N 2.917 123.287 120.570 -0.334 0.000 2.439 255 I HA 0.264 4.435 4.170 0.003 0.000 0.283 255 I C -1.318 174.602 176.117 -0.328 0.000 1.023 255 I CA -0.491 60.553 61.300 -0.428 0.000 1.100 255 I CB 1.747 39.571 38.000 -0.293 0.000 1.238 255 I HN 0.420 nan 8.210 nan 0.000 0.445 256 D N 6.461 126.625 120.400 -0.394 0.000 2.462 256 D HA 0.276 4.917 4.640 0.003 0.000 0.245 256 D C -1.198 175.076 176.300 -0.043 0.000 1.122 256 D CA -0.192 53.746 54.000 -0.103 0.000 0.864 256 D CB 1.250 42.111 40.800 0.101 0.000 1.098 256 D HN 0.425 nan 8.370 nan 0.000 0.541 257 N N 4.191 122.890 118.700 -0.001 0.000 2.258 257 N HA 0.151 4.892 4.740 0.003 0.000 0.299 257 N C 0.635 176.166 175.510 0.035 0.000 1.047 257 N CA -0.511 52.555 53.050 0.027 0.000 0.814 257 N CB 1.733 40.283 38.487 0.106 0.000 1.413 257 N HN 0.315 nan 8.380 nan 0.000 0.478 258 I N 4.195 124.761 120.570 -0.006 0.000 2.493 258 I HA -0.082 4.090 4.170 0.003 0.000 0.254 258 I C 1.767 177.944 176.117 0.100 0.000 1.160 258 I CA 0.939 62.227 61.300 -0.019 0.000 1.445 258 I CB -0.514 37.410 38.000 -0.126 0.000 1.086 258 I HN 0.643 nan 8.210 nan 0.000 0.433 259 F N 1.949 121.921 119.950 0.036 0.000 2.115 259 F HA -0.303 4.225 4.527 0.003 0.000 0.300 259 F C 2.361 178.249 175.800 0.146 0.000 1.092 259 F CA 1.778 59.849 58.000 0.118 0.000 1.245 259 F CB -0.498 38.621 39.000 0.199 0.000 0.995 259 F HN 0.012 nan 8.300 nan 0.000 0.481 260 R N -0.072 120.431 120.500 0.006 0.000 2.211 260 R HA -0.236 4.106 4.340 0.003 0.000 0.240 260 R C 2.177 178.390 176.300 -0.144 0.000 1.144 260 R CA 1.527 57.552 56.100 -0.126 0.000 0.992 260 R CB -1.765 28.553 30.300 0.030 0.000 0.869 260 R HN 0.523 nan 8.270 nan 0.000 0.462 261 F N 1.462 121.291 119.950 -0.202 0.000 2.113 261 F HA -0.168 4.361 4.527 0.004 0.000 0.297 261 F C 2.054 177.739 175.800 -0.191 0.000 1.103 261 F CA 1.653 59.555 58.000 -0.164 0.000 1.248 261 F CB -0.312 38.609 39.000 -0.132 0.000 0.999 261 F HN -0.130 nan 8.300 nan 0.000 0.475 262 T N 0.183 114.619 114.554 -0.195 0.000 2.777 262 T HA -0.217 4.135 4.350 0.003 0.000 0.266 262 T C 1.898 176.401 174.700 -0.329 0.000 1.040 262 T CA 1.496 63.435 62.100 -0.270 0.000 1.141 262 T CB -0.354 68.465 68.868 -0.082 0.000 0.868 262 T HN 0.450 nan 8.240 nan 0.000 0.444 263 Q N 0.658 120.100 119.800 -0.597 0.000 2.084 263 Q HA -0.092 4.250 4.340 0.003 0.000 0.202 263 Q C 2.487 178.345 176.000 -0.237 0.000 0.978 263 Q CA 1.442 56.987 55.803 -0.430 0.000 0.844 263 Q CB -0.287 28.104 28.738 -0.578 0.000 0.898 263 Q HN 0.522 nan 8.270 nan 0.000 0.426 264 A N 0.591 123.255 122.820 -0.259 0.000 1.908 264 A HA -0.146 4.176 4.320 0.003 0.000 0.218 264 A C 2.280 179.746 177.584 -0.198 0.000 1.181 264 A CA 1.755 53.675 52.037 -0.194 0.000 0.627 264 A CB -1.385 17.501 19.000 -0.189 0.000 0.818 264 A HN 0.612 nan 8.150 nan 0.000 0.445 265 G N -0.186 108.445 108.800 -0.282 0.000 2.418 265 G HA2 -0.202 3.760 3.960 0.003 0.000 0.217 265 G HA3 -0.202 3.760 3.960 0.003 0.000 0.217 265 G C 1.962 176.786 174.900 -0.127 0.000 1.158 265 G CA 1.795 46.752 45.100 -0.239 0.000 0.771 265 G HN 0.919 nan 8.290 nan 0.000 0.545 266 S N 0.314 115.957 115.700 -0.095 0.000 2.423 266 S HA -0.029 4.443 4.470 0.003 0.000 0.231 266 S C 1.929 176.487 174.600 -0.070 0.000 1.014 266 S CA 1.520 59.687 58.200 -0.056 0.000 0.965 266 S CB -0.232 62.934 63.200 -0.058 0.000 0.785 266 S HN 0.554 nan 8.310 nan 0.000 0.495 267 E N 0.665 120.818 120.200 -0.079 0.000 2.150 267 E HA -0.065 4.286 4.350 0.003 0.000 0.193 267 E C 1.890 178.460 176.600 -0.049 0.000 0.985 267 E CA 1.439 57.803 56.400 -0.060 0.000 0.814 267 E CB -0.081 29.583 29.700 -0.060 0.000 0.752 267 E HN 0.712 nan 8.360 nan 0.000 0.466 268 V N -2.701 117.180 119.914 -0.055 0.000 3.578 268 V HA 0.162 4.284 4.120 0.003 0.000 0.290 268 V C 1.867 177.939 176.094 -0.035 0.000 1.376 268 V CA 0.554 62.829 62.300 -0.042 0.000 1.083 268 V CB 0.781 32.576 31.823 -0.047 0.000 0.911 268 V HN 0.023 nan 8.190 nan 0.000 0.433 269 S N 1.599 117.276 115.700 -0.037 0.000 2.368 269 S HA -0.066 4.406 4.470 0.003 0.000 0.225 269 S C 2.123 176.714 174.600 -0.015 0.000 1.030 269 S CA 1.902 60.087 58.200 -0.025 0.000 0.999 269 S CB -0.284 62.906 63.200 -0.017 0.000 0.844 269 S HN 0.948 nan 8.310 nan 0.000 0.459 270 A N 0.896 123.706 122.820 -0.016 0.000 2.014 270 A HA 0.182 4.503 4.320 0.003 0.000 0.218 270 A C 2.090 179.669 177.584 -0.008 0.000 1.163 270 A CA 0.938 52.969 52.037 -0.010 0.000 0.652 270 A CB -0.519 18.474 19.000 -0.012 0.000 0.808 270 A HN 0.576 nan 8.150 nan 0.000 0.449 271 L N -0.834 120.383 121.223 -0.010 0.000 2.313 271 L HA 0.029 4.370 4.340 0.003 0.000 0.214 271 L C 1.894 178.762 176.870 -0.003 0.000 1.119 271 L CA 0.382 55.218 54.840 -0.006 0.000 0.809 271 L CB -0.247 41.808 42.059 -0.008 0.000 0.933 271 L HN 0.330 nan 8.230 nan 0.000 0.449 272 L N -0.208 121.011 121.223 -0.007 0.000 2.610 272 L HA 0.090 4.432 4.340 0.003 0.000 0.232 272 L C 1.341 178.211 176.870 -0.000 0.000 1.149 272 L CA 0.593 55.431 54.840 -0.004 0.000 0.872 272 L CB -0.431 41.622 42.059 -0.011 0.000 0.992 272 L HN 0.477 nan 8.230 nan 0.000 0.447 273 G N 0.438 109.238 108.800 0.000 0.000 2.132 273 G HA2 -0.260 3.701 3.960 0.003 0.000 0.228 273 G HA3 -0.260 3.701 3.960 0.003 0.000 0.228 273 G C 0.055 174.957 174.900 0.004 0.000 1.000 273 G CA -0.323 44.779 45.100 0.003 0.000 0.693 273 G HN 0.260 nan 8.290 nan 0.000 0.515 274 R N -0.410 120.092 120.500 0.003 0.000 2.410 274 R HA 0.666 5.008 4.340 0.003 0.000 0.288 274 R C 1.097 177.402 176.300 0.009 0.000 1.051 274 R CA -0.555 55.549 56.100 0.007 0.000 1.021 274 R CB 0.655 30.959 30.300 0.008 0.000 1.032 274 R HN 0.328 nan 8.270 nan 0.000 0.481 275 I N 5.099 125.676 120.570 0.012 0.000 2.588 275 I HA 0.135 4.307 4.170 0.003 0.000 0.283 275 I C -1.611 174.518 176.117 0.020 0.000 1.119 275 I CA -1.616 59.692 61.300 0.014 0.000 1.419 275 I CB 0.799 38.808 38.000 0.015 0.000 1.394 275 I HN 0.370 nan 8.210 nan 0.000 0.562 276 P HA 0.131 nan 4.420 nan 0.000 0.279 276 P C -0.436 176.889 177.300 0.043 0.000 1.239 276 P CA -0.319 62.798 63.100 0.028 0.000 0.789 276 P CB 1.443 33.152 31.700 0.014 0.000 0.933 277 S N 1.435 117.176 115.700 0.068 0.000 2.632 277 S HA 0.556 5.028 4.470 0.003 0.000 0.267 277 S C 0.250 174.907 174.600 0.096 0.000 1.193 277 S CA -0.379 57.871 58.200 0.082 0.000 1.003 277 S CB -0.046 63.215 63.200 0.102 0.000 1.073 277 S HN 0.618 nan 8.310 nan 0.000 0.553 278 A N 0.249 123.133 122.820 0.106 0.000 2.483 278 A HA 0.434 4.755 4.320 0.003 0.000 0.238 278 A C 0.883 178.570 177.584 0.172 0.000 1.070 278 A CA 0.236 52.338 52.037 0.109 0.000 0.770 278 A CB -0.594 18.462 19.000 0.094 0.000 1.008 278 A HN 1.664 nan 8.150 nan 0.000 0.497 279 V N 0.823 120.811 119.914 0.124 0.000 4.349 279 V HA -0.280 3.842 4.120 0.003 0.000 0.247 279 V C 1.613 177.700 176.094 -0.012 0.000 0.442 279 V CA 1.485 63.856 62.300 0.119 0.000 0.865 279 V CB -2.570 29.404 31.823 0.252 0.000 0.887 279 V HN 2.904 nan 8.190 nan 0.000 1.302 280 G N -2.176 106.616 108.800 -0.015 0.000 2.179 280 G HA2 -0.347 3.615 3.960 0.003 0.000 0.257 280 G HA3 -0.347 3.615 3.960 0.003 0.000 0.257 280 G C -0.190 174.611 174.900 -0.165 0.000 1.010 280 G CA 0.657 45.698 45.100 -0.098 0.000 0.736 280 G HN 0.934 nan 8.290 nan 0.000 0.513 281 Y N 0.729 121.054 120.300 0.042 0.000 2.316 281 Y HA 0.443 4.994 4.550 0.002 0.000 0.324 281 Y C 1.301 177.210 175.900 0.015 0.000 1.267 281 Y CA -0.436 57.685 58.100 0.034 0.000 1.311 281 Y CB 0.639 39.131 38.460 0.054 0.000 1.267 281 Y HN 0.379 nan 8.280 nan 0.000 0.516 282 Q N 3.640 123.548 119.800 0.180 0.000 2.315 282 Q HA 0.018 4.360 4.340 0.003 0.000 0.289 282 Q C -2.265 173.795 176.000 0.100 0.000 1.044 282 Q CA -1.391 54.467 55.803 0.092 0.000 0.920 282 Q CB 0.787 29.553 28.738 0.047 0.000 1.214 282 Q HN 0.429 nan 8.270 nan 0.000 0.392 283 P HA -0.108 nan 4.420 nan 0.000 0.225 283 P C 0.750 178.079 177.300 0.048 0.000 1.148 283 P CA 1.371 64.505 63.100 0.058 0.000 0.779 283 P CB -0.088 31.637 31.700 0.041 0.000 0.780 284 T N -3.756 110.823 114.554 0.042 0.000 3.287 284 T HA 0.199 4.550 4.350 0.003 0.000 0.253 284 T C 1.345 176.073 174.700 0.046 0.000 0.975 284 T CA -0.398 61.725 62.100 0.038 0.000 0.912 284 T CB -0.952 67.932 68.868 0.027 0.000 1.071 284 T HN -0.026 nan 8.240 nan 0.000 0.578 285 L N 0.931 122.183 121.223 0.049 0.000 2.005 285 L HA 0.114 4.456 4.340 0.003 0.000 0.207 285 L C 2.807 179.714 176.870 0.061 0.000 1.072 285 L CA 1.685 56.550 54.840 0.041 0.000 0.744 285 L CB -0.717 41.342 42.059 0.001 0.000 0.895 285 L HN 0.395 nan 8.230 nan 0.000 0.433 286 A N -0.426 122.431 122.820 0.061 0.000 1.877 286 A HA -0.238 4.084 4.320 0.003 0.000 0.216 286 A C 2.362 180.008 177.584 0.103 0.000 1.186 286 A CA 2.496 54.587 52.037 0.089 0.000 0.620 286 A CB -1.266 17.780 19.000 0.077 0.000 0.822 286 A HN 0.653 nan 8.150 nan 0.000 0.443 287 T N -2.590 112.013 114.554 0.082 0.000 2.809 287 T HA -0.110 4.242 4.350 0.003 0.000 0.260 287 T C 1.437 176.193 174.700 0.093 0.000 1.039 287 T CA 1.330 63.478 62.100 0.080 0.000 1.141 287 T CB -0.565 68.339 68.868 0.059 0.000 0.869 287 T HN 0.305 nan 8.240 nan 0.000 0.437 288 D N 1.026 121.491 120.400 0.108 0.000 2.149 288 D HA -0.135 4.507 4.640 0.003 0.000 0.194 288 D C 1.934 178.379 176.300 0.242 0.000 1.001 288 D CA 1.342 55.450 54.000 0.180 0.000 0.849 288 D CB -0.410 40.481 40.800 0.152 0.000 0.939 288 D HN 0.442 nan 8.370 nan 0.000 0.449 289 M N 0.106 119.811 119.600 0.175 0.000 2.099 289 M HA -0.061 4.421 4.480 0.003 0.000 0.262 289 M C 2.112 178.341 176.300 -0.119 0.000 1.067 289 M CA 1.993 57.312 55.300 0.032 0.000 1.124 289 M CB -0.248 32.362 32.600 0.017 0.000 1.353 289 M HN 0.028 nan 8.290 nan 0.000 0.410 290 G N -0.334 108.475 108.800 0.015 0.000 2.476 290 G HA2 -0.307 3.654 3.960 0.003 0.000 0.218 290 G HA3 -0.307 3.654 3.960 0.003 0.000 0.218 290 G C 1.429 176.339 174.900 0.017 0.000 1.164 290 G CA 1.713 46.861 45.100 0.079 0.000 0.768 290 G HN 0.608 nan 8.290 nan 0.000 0.560 291 T N -2.268 112.298 114.554 0.020 0.000 3.035 291 T HA 0.079 4.430 4.350 0.003 0.000 0.268 291 T C 2.100 176.775 174.700 -0.041 0.000 1.109 291 T CA 1.411 63.520 62.100 0.015 0.000 1.119 291 T CB -0.004 68.894 68.868 0.051 0.000 0.900 291 T HN 0.169 nan 8.240 nan 0.000 0.503 292 M N 0.057 119.583 119.600 -0.122 0.000 2.384 292 M HA 0.120 4.602 4.480 0.003 0.000 0.258 292 M C 2.258 178.392 176.300 -0.278 0.000 1.130 292 M CA 1.034 56.175 55.300 -0.265 0.000 1.187 292 M CB -0.467 31.801 32.600 -0.554 0.000 1.307 292 M HN 0.112 nan 8.290 nan 0.000 0.468 293 Q N 0.982 120.585 119.800 -0.328 0.000 2.152 293 Q HA -0.172 4.170 4.340 0.003 0.000 0.206 293 Q C 1.657 177.579 176.000 -0.129 0.000 0.985 293 Q CA 1.429 57.044 55.803 -0.313 0.000 0.863 293 Q CB -0.479 27.881 28.738 -0.628 0.000 0.904 293 Q HN 0.565 nan 8.270 nan 0.000 0.422 294 E N 0.081 120.246 120.200 -0.057 0.000 2.472 294 E HA -0.111 4.241 4.350 0.003 0.000 0.200 294 E C 1.705 178.295 176.600 -0.017 0.000 1.046 294 E CA 0.364 56.770 56.400 0.011 0.000 0.871 294 E CB 0.035 29.765 29.700 0.050 0.000 0.806 294 E HN 0.324 nan 8.360 nan 0.000 0.533 295 R N 0.034 120.500 120.500 -0.056 0.000 2.210 295 R HA 0.181 4.522 4.340 0.003 0.000 0.203 295 R C 0.967 177.229 176.300 -0.064 0.000 1.010 295 R CA 0.160 56.228 56.100 -0.054 0.000 1.008 295 R CB 0.289 30.546 30.300 -0.071 0.000 0.923 295 R HN 0.046 nan 8.270 nan 0.000 0.469 296 I N 1.885 122.402 120.570 -0.088 0.000 2.311 296 I HA 0.075 4.247 4.170 0.003 0.000 0.297 296 I C -0.037 176.040 176.117 -0.067 0.000 1.131 296 I CA 0.267 61.509 61.300 -0.097 0.000 1.289 296 I CB 0.539 38.454 38.000 -0.142 0.000 1.446 296 I HN -0.023 nan 8.210 nan 0.000 0.524 297 T N 2.781 117.303 114.554 -0.054 0.000 2.927 297 T HA 0.146 4.498 4.350 0.003 0.000 0.350 297 T C -0.533 174.147 174.700 -0.033 0.000 1.746 297 T CA -0.494 61.583 62.100 -0.038 0.000 1.081 297 T CB 1.424 70.281 68.868 -0.018 0.000 1.551 297 T HN 0.339 nan 8.240 nan 0.000 0.489 298 T N 3.663 118.198 114.554 -0.032 0.000 2.884 298 T HA 0.601 4.952 4.350 0.003 0.000 0.298 298 T C 0.558 175.241 174.700 -0.029 0.000 0.998 298 T CA 0.129 62.212 62.100 -0.028 0.000 1.124 298 T CB 0.689 69.540 68.868 -0.029 0.000 0.931 298 T HN 0.906 nan 8.240 nan 0.000 0.531 299 T N 0.293 114.831 114.554 -0.028 0.000 2.773 299 T HA 0.484 4.836 4.350 0.003 0.000 0.278 299 T C 1.073 175.751 174.700 -0.036 0.000 1.011 299 T CA -1.020 61.060 62.100 -0.034 0.000 1.014 299 T CB 1.442 70.293 68.868 -0.028 0.000 1.293 299 T HN 0.384 nan 8.240 nan 0.000 0.554 300 K N 0.033 120.408 120.400 -0.042 0.000 2.148 300 K HA 0.040 4.361 4.320 0.003 0.000 0.204 300 K C 2.192 178.774 176.600 -0.031 0.000 1.050 300 K CA 0.888 57.151 56.287 -0.040 0.000 0.942 300 K CB -0.083 32.390 32.500 -0.046 0.000 0.724 300 K HN 0.474 nan 8.250 nan 0.000 0.446 301 K N 0.056 120.439 120.400 -0.028 0.000 2.148 301 K HA -0.031 4.291 4.320 0.003 0.000 0.204 301 K C 0.822 177.409 176.600 -0.021 0.000 1.050 301 K CA 0.809 57.081 56.287 -0.026 0.000 0.942 301 K CB 0.298 32.782 32.500 -0.028 0.000 0.724 301 K HN 0.203 nan 8.250 nan 0.000 0.446 302 G N -0.508 108.281 108.800 -0.017 0.000 2.547 302 G HA2 0.191 4.153 3.960 0.003 0.000 0.291 302 G HA3 0.191 4.153 3.960 0.003 0.000 0.291 302 G C -1.750 173.146 174.900 -0.006 0.000 1.471 302 G CA -0.645 44.450 45.100 -0.008 0.000 0.798 302 G HN -0.086 nan 8.290 nan 0.000 0.504 303 S N -0.048 115.653 115.700 0.001 0.000 2.433 303 S HA 0.674 5.145 4.470 0.003 0.000 0.310 303 S C -0.147 174.454 174.600 0.001 0.000 1.097 303 S CA -0.724 57.474 58.200 -0.003 0.000 1.103 303 S CB 0.172 63.372 63.200 -0.001 0.000 0.992 303 S HN 0.476 nan 8.310 nan 0.000 0.469 304 I N 4.814 125.372 120.570 -0.020 0.000 2.330 304 I HA 0.229 4.401 4.170 0.003 0.000 0.289 304 I C 0.089 176.153 176.117 -0.089 0.000 1.001 304 I CA -0.544 60.729 61.300 -0.045 0.000 1.193 304 I CB 1.763 39.733 38.000 -0.050 0.000 1.345 304 I HN 0.488 nan 8.210 nan 0.000 0.461 305 T N 4.804 119.282 114.554 -0.127 0.000 2.729 305 T HA 0.236 4.588 4.350 0.003 0.000 0.296 305 T C 0.248 174.765 174.700 -0.304 0.000 0.928 305 T CA -0.468 61.519 62.100 -0.189 0.000 1.045 305 T CB 0.415 69.168 68.868 -0.191 0.000 0.902 305 T HN 0.697 nan 8.240 nan 0.000 0.500 306 S N 2.384 117.910 115.700 -0.290 0.000 2.478 306 S HA 0.702 5.173 4.470 0.003 0.000 0.312 306 S C -0.507 173.864 174.600 -0.381 0.000 1.094 306 S CA -0.841 57.149 58.200 -0.350 0.000 1.081 306 S CB 1.252 64.305 63.200 -0.245 0.000 1.007 306 S HN 0.384 nan 8.310 nan 0.000 0.475 307 V N 3.274 122.908 119.914 -0.466 0.000 2.448 307 V HA 0.508 4.630 4.120 0.003 0.000 0.295 307 V C -0.475 175.480 176.094 -0.231 0.000 1.025 307 V CA -0.542 61.555 62.300 -0.338 0.000 0.859 307 V CB 1.396 33.069 31.823 -0.249 0.000 0.988 307 V HN 0.967 nan 8.190 nan 0.000 0.431 308 Q N 2.736 122.409 119.800 -0.211 0.000 2.309 308 Q HA 0.683 5.025 4.340 0.003 0.000 0.270 308 Q C -0.287 175.603 176.000 -0.185 0.000 1.023 308 Q CA -0.516 55.167 55.803 -0.200 0.000 0.758 308 Q CB 2.310 30.908 28.738 -0.234 0.000 1.247 308 Q HN 0.946 nan 8.270 nan 0.000 0.455 309 A N 3.621 126.373 122.820 -0.113 0.000 2.488 309 A HA 0.450 4.771 4.320 0.003 0.000 0.249 309 A C -0.377 177.137 177.584 -0.117 0.000 1.083 309 A CA 0.154 52.144 52.037 -0.079 0.000 0.768 309 A CB -0.026 18.981 19.000 0.012 0.000 1.017 309 A HN 0.739 nan 8.150 nan 0.000 0.496 310 I N 2.884 123.344 120.570 -0.184 0.000 2.476 310 I HA 0.170 4.342 4.170 0.003 0.000 0.281 310 I C -0.650 175.424 176.117 -0.072 0.000 1.040 310 I CA -0.414 60.757 61.300 -0.214 0.000 1.094 310 I CB 1.271 38.864 38.000 -0.679 0.000 1.219 310 I HN 0.729 nan 8.210 nan 0.000 0.450 311 Y N 7.026 127.274 120.300 -0.088 0.000 2.397 311 Y HA 0.415 4.966 4.550 0.002 0.000 0.335 311 Y C -0.227 175.502 175.900 -0.286 0.000 1.213 311 Y CA -0.171 57.806 58.100 -0.205 0.000 1.391 311 Y CB 0.996 39.258 38.460 -0.329 0.000 1.293 311 Y HN 0.267 nan 8.280 nan 0.000 0.557 312 V N 8.352 127.705 119.914 -0.936 0.000 2.276 312 V HA 0.270 4.392 4.120 0.003 0.000 0.268 312 V C -2.307 173.195 176.094 -0.987 0.000 1.032 312 V CA -2.017 59.889 62.300 -0.656 0.000 0.810 312 V CB 0.601 32.267 31.823 -0.263 0.000 1.060 312 V HN 0.724 nan 8.190 nan 0.000 0.446 313 P HA -0.010 nan 4.420 nan 0.000 0.264 313 P C 0.811 177.947 177.300 -0.273 0.000 1.179 313 P CA 0.975 63.730 63.100 -0.575 0.000 0.763 313 P CB 0.529 32.151 31.700 -0.130 0.000 0.806 314 A N 3.319 126.059 122.820 -0.134 0.000 2.744 314 A HA -0.281 4.041 4.320 0.003 0.000 0.300 314 A C 1.015 178.555 177.584 -0.074 0.000 1.512 314 A CA 1.456 53.462 52.037 -0.052 0.000 0.851 314 A CB -2.421 16.576 19.000 -0.006 0.000 0.987 314 A HN 0.663 nan 8.150 nan 0.000 0.507 315 D N -2.184 118.135 120.400 -0.135 0.000 3.059 315 D HA -0.189 4.453 4.640 0.003 0.000 0.213 315 D C -0.149 176.111 176.300 -0.067 0.000 1.144 315 D CA 2.257 56.199 54.000 -0.095 0.000 0.975 315 D CB -1.030 39.744 40.800 -0.044 0.000 1.125 315 D HN 0.990 nan 8.370 nan 0.000 0.412 316 D N 0.122 120.481 120.400 -0.068 0.000 2.428 316 D HA 0.260 4.902 4.640 0.003 0.000 0.221 316 D C 1.400 177.695 176.300 -0.008 0.000 1.123 316 D CA -0.381 53.603 54.000 -0.026 0.000 0.869 316 D CB 0.302 41.097 40.800 -0.007 0.000 1.032 316 D HN 0.078 nan 8.370 nan 0.000 0.506 317 L N 2.522 123.753 121.223 0.013 0.000 2.265 317 L HA -0.096 4.246 4.340 0.003 0.000 0.215 317 L C 2.289 179.213 176.870 0.090 0.000 1.117 317 L CA 1.422 56.306 54.840 0.074 0.000 0.782 317 L CB -0.502 41.601 42.059 0.074 0.000 0.914 317 L HN 0.522 nan 8.230 nan 0.000 0.441 318 T N -4.273 110.304 114.554 0.038 0.000 3.160 318 T HA -0.088 4.264 4.350 0.003 0.000 0.257 318 T C 0.776 175.512 174.700 0.060 0.000 1.147 318 T CA -0.315 61.806 62.100 0.035 0.000 1.064 318 T CB -0.467 68.406 68.868 0.009 0.000 0.949 318 T HN 0.200 nan 8.240 nan 0.000 0.526 319 D N 2.793 123.236 120.400 0.072 0.000 2.472 319 D HA 0.040 4.682 4.640 0.003 0.000 0.248 319 D C -1.322 175.015 176.300 0.063 0.000 1.174 319 D CA -1.542 52.517 54.000 0.098 0.000 0.883 319 D CB 1.378 42.237 40.800 0.098 0.000 1.149 319 D HN 0.013 nan 8.370 nan 0.000 0.488 320 P HA -0.319 nan 4.420 nan 0.000 0.224 320 P C 0.943 178.143 177.300 -0.166 0.000 1.153 320 P CA 2.772 65.803 63.100 -0.115 0.000 0.947 320 P CB 0.055 31.603 31.700 -0.253 0.000 0.790 321 A N -0.560 122.076 122.820 -0.306 0.000 1.834 321 A HA -0.167 4.154 4.320 0.003 0.000 0.216 321 A C 0.031 177.684 177.584 0.114 0.000 1.203 321 A CA 3.092 55.085 52.037 -0.073 0.000 0.621 321 A CB -2.364 16.765 19.000 0.215 0.000 0.841 321 A HN 0.243 nan 8.150 nan 0.000 0.446 322 P HA -0.130 nan 4.420 nan 0.000 0.217 322 P C 1.562 179.043 177.300 0.303 0.000 1.150 322 P CA 2.017 65.251 63.100 0.224 0.000 0.832 322 P CB -0.223 31.602 31.700 0.208 0.000 0.787 323 A N 0.086 123.077 122.820 0.284 0.000 1.902 323 A HA -0.137 4.185 4.320 0.003 0.000 0.217 323 A C 2.244 180.021 177.584 0.321 0.000 1.181 323 A CA 2.326 54.570 52.037 0.345 0.000 0.623 323 A CB -1.947 17.148 19.000 0.158 0.000 0.818 323 A HN 0.212 nan 8.150 nan 0.000 0.443 324 T N -0.277 114.398 114.554 0.203 0.000 3.072 324 T HA -0.023 4.328 4.350 0.003 0.000 0.266 324 T C 1.604 176.471 174.700 0.279 0.000 1.127 324 T CA 1.558 63.773 62.100 0.191 0.000 1.107 324 T CB -0.236 68.705 68.868 0.122 0.000 0.910 324 T HN 0.576 nan 8.240 nan 0.000 0.513 325 T N 1.141 115.865 114.554 0.283 0.000 3.009 325 T HA 0.158 4.510 4.350 0.003 0.000 0.258 325 T C 1.471 176.369 174.700 0.330 0.000 1.063 325 T CA 0.190 62.453 62.100 0.273 0.000 1.139 325 T CB -0.331 68.592 68.868 0.092 0.000 0.890 325 T HN 0.303 nan 8.240 nan 0.000 0.471 326 F N 2.375 122.521 119.950 0.327 0.000 2.115 326 F HA -0.153 4.376 4.527 0.002 0.000 0.300 326 F C 2.663 178.547 175.800 0.140 0.000 1.092 326 F CA 1.223 59.370 58.000 0.245 0.000 1.245 326 F CB -0.568 38.430 39.000 -0.003 0.000 0.995 326 F HN 0.157 nan 8.300 nan 0.000 0.481 327 A N -1.626 121.334 122.820 0.233 0.000 2.172 327 A HA -0.138 4.184 4.320 0.003 0.000 0.216 327 A C 1.413 178.944 177.584 -0.089 0.000 1.154 327 A CA 0.981 53.034 52.037 0.027 0.000 0.701 327 A CB -0.946 18.005 19.000 -0.083 0.000 0.789 327 A HN 0.482 nan 8.150 nan 0.000 0.465 328 H N -0.949 118.176 119.070 0.091 0.000 2.538 328 H HA 0.375 4.933 4.556 0.002 0.000 0.286 328 H C -0.507 174.836 175.328 0.026 0.000 1.035 328 H CA 0.284 56.355 56.048 0.038 0.000 1.169 328 H CB -0.080 29.684 29.762 0.003 0.000 1.417 328 H HN 0.325 nan 8.280 nan 0.000 0.567 329 L N 0.028 121.331 121.223 0.134 0.000 2.370 329 L HA 0.232 4.574 4.340 0.003 0.000 0.266 329 L C 0.494 177.420 176.870 0.092 0.000 1.002 329 L CA -0.619 54.284 54.840 0.106 0.000 0.818 329 L CB 2.474 44.628 42.059 0.159 0.000 1.325 329 L HN -0.103 nan 8.230 nan 0.000 0.418 330 D N 0.928 121.365 120.400 0.063 0.000 2.380 330 D HA 0.214 4.856 4.640 0.003 0.000 0.212 330 D C 0.253 176.612 176.300 0.097 0.000 1.021 330 D CA 0.542 54.581 54.000 0.065 0.000 0.884 330 D CB 1.159 41.982 40.800 0.039 0.000 1.001 330 D HN 0.492 nan 8.370 nan 0.000 0.506 331 A N 0.668 123.553 122.820 0.107 0.000 2.422 331 A HA 0.580 4.902 4.320 0.003 0.000 0.302 331 A C -0.500 177.210 177.584 0.210 0.000 1.041 331 A CA -0.600 51.545 52.037 0.181 0.000 0.708 331 A CB 1.494 20.665 19.000 0.285 0.000 1.257 331 A HN -0.025 nan 8.150 nan 0.000 0.414 332 T N -0.496 114.222 114.554 0.272 0.000 2.809 332 T HA 0.636 4.988 4.350 0.003 0.000 0.284 332 T C -0.451 174.451 174.700 0.337 0.000 0.992 332 T CA -0.447 61.866 62.100 0.355 0.000 0.957 332 T CB 1.087 70.192 68.868 0.394 0.000 0.942 332 T HN 0.427 nan 8.240 nan 0.000 0.439 333 T N 3.588 118.360 114.554 0.363 0.000 2.753 333 T HA 0.471 4.822 4.350 0.003 0.000 0.297 333 T C -0.089 174.807 174.700 0.326 0.000 0.981 333 T CA -0.482 61.807 62.100 0.314 0.000 0.956 333 T CB 0.710 69.784 68.868 0.344 0.000 0.936 333 T HN 0.616 nan 8.240 nan 0.000 0.463 334 V N 5.669 125.738 119.914 0.259 0.000 2.370 334 V HA 0.402 4.524 4.120 0.003 0.000 0.279 334 V C -0.424 175.765 176.094 0.159 0.000 1.029 334 V CA -0.840 61.604 62.300 0.240 0.000 0.870 334 V CB 1.167 33.088 31.823 0.164 0.000 0.984 334 V HN 0.594 nan 8.190 nan 0.000 0.451 335 L N 4.141 125.456 121.223 0.154 0.000 2.334 335 L HA 0.659 5.001 4.340 0.003 0.000 0.275 335 L C 0.240 177.149 176.870 0.065 0.000 1.036 335 L CA 0.384 55.284 54.840 0.099 0.000 0.807 335 L CB 1.732 43.855 42.059 0.108 0.000 1.231 335 L HN 0.673 nan 8.230 nan 0.000 0.438 336 S N 1.550 117.265 115.700 0.025 0.000 2.538 336 S HA 0.466 4.937 4.470 0.003 0.000 0.288 336 S C 0.846 175.433 174.600 -0.022 0.000 1.108 336 S CA -0.653 57.549 58.200 0.004 0.000 0.971 336 S CB 1.311 64.508 63.200 -0.004 0.000 1.041 336 S HN 0.706 nan 8.310 nan 0.000 0.483 337 R N 3.150 123.641 120.500 -0.015 0.000 2.066 337 R HA -0.013 4.329 4.340 0.003 0.000 0.232 337 R C 2.189 178.463 176.300 -0.042 0.000 1.131 337 R CA 1.781 57.867 56.100 -0.022 0.000 0.955 337 R CB -0.787 29.510 30.300 -0.005 0.000 0.851 337 R HN 0.781 nan 8.270 nan 0.000 0.432 338 A N 1.180 123.980 122.820 -0.034 0.000 1.927 338 A HA -0.217 4.105 4.320 0.003 0.000 0.220 338 A C 2.131 179.681 177.584 -0.057 0.000 1.185 338 A CA 1.854 53.868 52.037 -0.038 0.000 0.639 338 A CB -0.602 18.382 19.000 -0.028 0.000 0.820 338 A HN 0.420 nan 8.150 nan 0.000 0.451 339 I N -0.874 119.654 120.570 -0.069 0.000 2.406 339 I HA -0.158 4.014 4.170 0.003 0.000 0.249 339 I C 2.900 178.899 176.117 -0.197 0.000 1.122 339 I CA 0.798 62.038 61.300 -0.099 0.000 1.431 339 I CB -0.296 37.659 38.000 -0.075 0.000 1.087 339 I HN 0.345 nan 8.210 nan 0.000 0.424 340 A N 0.499 123.175 122.820 -0.240 0.000 1.933 340 A HA -0.263 4.058 4.320 0.003 0.000 0.218 340 A C 2.257 179.656 177.584 -0.307 0.000 1.175 340 A CA 1.850 53.615 52.037 -0.454 0.000 0.628 340 A CB -0.622 18.204 19.000 -0.290 0.000 0.814 340 A HN 0.493 nan 8.150 nan 0.000 0.444 341 E N -0.196 119.917 120.200 -0.145 0.000 2.209 341 E HA -0.157 4.194 4.350 0.003 0.000 0.196 341 E C 1.277 177.833 176.600 -0.073 0.000 0.993 341 E CA 1.012 57.368 56.400 -0.075 0.000 0.819 341 E CB -0.080 29.592 29.700 -0.045 0.000 0.745 341 E HN 0.481 nan 8.360 nan 0.000 0.477 342 L N -0.807 120.354 121.223 -0.104 0.000 2.558 342 L HA 0.209 4.550 4.340 0.003 0.000 0.225 342 L C 1.754 178.565 176.870 -0.097 0.000 1.128 342 L CA 1.203 55.989 54.840 -0.089 0.000 0.868 342 L CB -0.637 41.374 42.059 -0.080 0.000 1.006 342 L HN 0.469 nan 8.230 nan 0.000 0.454 343 G N 0.291 109.017 108.800 -0.124 0.000 2.175 343 G HA2 -0.232 3.730 3.960 0.003 0.000 0.244 343 G HA3 -0.232 3.730 3.960 0.003 0.000 0.244 343 G C 0.365 175.280 174.900 0.025 0.000 0.982 343 G CA -0.324 44.772 45.100 -0.006 0.000 0.641 343 G HN 0.181 nan 8.290 nan 0.000 0.527 344 I N 1.543 122.040 120.570 -0.122 0.000 2.483 344 I HA 0.364 4.535 4.170 0.003 0.000 0.291 344 I C 0.162 176.101 176.117 -0.297 0.000 1.112 344 I CA -0.361 60.905 61.300 -0.055 0.000 1.350 344 I CB -1.177 36.800 38.000 -0.038 0.000 1.419 344 I HN 0.112 nan 8.210 nan 0.000 0.523 345 Y N 7.165 127.435 120.300 -0.050 0.000 2.485 345 Y HA 0.430 4.982 4.550 0.003 0.000 0.345 345 Y C -1.996 173.731 175.900 -0.288 0.000 0.998 345 Y CA -2.441 55.552 58.100 -0.178 0.000 1.059 345 Y CB 2.043 40.367 38.460 -0.227 0.000 1.234 345 Y HN 0.412 nan 8.280 nan 0.000 0.461 346 P HA 0.047 nan 4.420 nan 0.000 0.268 346 P C -0.479 176.807 177.300 -0.024 0.000 1.205 346 P CA -0.090 62.949 63.100 -0.102 0.000 0.771 346 P CB 1.024 32.656 31.700 -0.112 0.000 0.858 347 A N 3.567 126.379 122.820 -0.013 0.000 2.728 347 A HA 0.189 4.510 4.320 0.003 0.000 0.258 347 A C 0.526 178.104 177.584 -0.011 0.000 1.454 347 A CA -0.304 51.676 52.037 -0.095 0.000 1.146 347 A CB -1.189 17.703 19.000 -0.181 0.000 0.985 347 A HN 0.380 nan 8.150 nan 0.000 0.603 348 V N 1.301 121.229 119.914 0.023 0.000 2.529 348 V HA 0.013 4.135 4.120 0.003 0.000 0.292 348 V C 0.386 176.498 176.094 0.029 0.000 1.028 348 V CA -0.264 62.068 62.300 0.052 0.000 1.074 348 V CB 0.793 32.659 31.823 0.072 0.000 0.958 348 V HN 0.586 nan 8.190 nan 0.000 0.481 349 D N 8.214 128.636 120.400 0.037 0.000 2.352 349 D HA 0.194 4.835 4.640 0.003 0.000 0.245 349 D C -1.186 175.124 176.300 0.017 0.000 1.224 349 D CA -2.157 51.855 54.000 0.020 0.000 0.879 349 D CB 1.720 42.531 40.800 0.018 0.000 1.057 349 D HN 0.280 nan 8.370 nan 0.000 0.491 350 P HA -0.032 nan 4.420 nan 0.000 0.233 350 P C 0.876 178.163 177.300 -0.021 0.000 1.167 350 P CA 0.476 63.566 63.100 -0.017 0.000 0.770 350 P CB 0.324 32.003 31.700 -0.034 0.000 0.837 351 L N -0.626 120.588 121.223 -0.015 0.000 2.791 351 L HA 0.317 4.659 4.340 0.003 0.000 0.239 351 L C 0.726 177.580 176.870 -0.027 0.000 1.203 351 L CA 0.315 55.141 54.840 -0.023 0.000 1.002 351 L CB -0.182 41.865 42.059 -0.021 0.000 1.295 351 L HN -0.145 nan 8.230 nan 0.000 0.504 352 D N -1.200 119.191 120.400 -0.015 0.000 2.619 352 D HA 0.066 4.707 4.640 0.003 0.000 0.300 352 D C -0.247 176.064 176.300 0.019 0.000 1.502 352 D CA 0.156 54.144 54.000 -0.021 0.000 0.865 352 D CB 0.779 41.563 40.800 -0.027 0.000 1.343 352 D HN -0.086 nan 8.370 nan 0.000 0.447 353 S N -0.090 115.633 115.700 0.038 0.000 2.472 353 S HA 0.765 5.237 4.470 0.003 0.000 0.303 353 S C -0.172 174.470 174.600 0.070 0.000 1.099 353 S CA -0.542 57.709 58.200 0.086 0.000 1.077 353 S CB 1.885 65.142 63.200 0.094 0.000 1.031 353 S HN 0.281 nan 8.310 nan 0.000 0.487 354 T N -0.964 113.654 114.554 0.107 0.000 2.864 354 T HA 0.817 5.169 4.350 0.003 0.000 0.299 354 T C -0.817 173.955 174.700 0.119 0.000 1.166 354 T CA -0.805 61.346 62.100 0.086 0.000 1.007 354 T CB 1.873 70.779 68.868 0.064 0.000 1.219 354 T HN 0.443 nan 8.240 nan 0.000 0.506 355 S N -0.640 115.117 115.700 0.094 0.000 2.546 355 S HA 0.416 4.888 4.470 0.003 0.000 0.272 355 S C 0.761 175.407 174.600 0.076 0.000 1.140 355 S CA -0.772 57.491 58.200 0.106 0.000 0.920 355 S CB 1.983 65.246 63.200 0.106 0.000 1.083 355 S HN 0.943 nan 8.310 nan 0.000 0.476 356 R N 2.663 123.207 120.500 0.073 0.000 2.120 356 R HA -0.029 4.313 4.340 0.003 0.000 0.234 356 R C 1.694 178.016 176.300 0.037 0.000 1.123 356 R CA 2.324 58.455 56.100 0.051 0.000 0.975 356 R CB -0.442 29.887 30.300 0.047 0.000 0.866 356 R HN 0.828 nan 8.270 nan 0.000 0.446 357 I N -1.670 118.924 120.570 0.041 0.000 3.684 357 I HA 0.169 4.340 4.170 0.003 0.000 0.304 357 I C 0.402 176.521 176.117 0.004 0.000 1.278 357 I CA -0.244 61.069 61.300 0.022 0.000 1.272 357 I CB 0.113 38.133 38.000 0.034 0.000 1.029 357 I HN 0.008 nan 8.210 nan 0.000 0.458 358 M N 3.549 123.163 119.600 0.024 0.000 3.042 358 M HA 0.302 4.784 4.480 0.003 0.000 0.283 358 M C -0.862 175.516 176.300 0.129 0.000 1.473 358 M CA -0.169 55.160 55.300 0.049 0.000 1.583 358 M CB -1.219 31.412 32.600 0.052 0.000 1.221 358 M HN 0.378 nan 8.290 nan 0.000 0.518 359 D N 5.118 125.519 120.400 0.003 0.000 2.836 359 D HA 0.270 4.911 4.640 0.003 0.000 0.215 359 D C -2.719 173.402 176.300 -0.299 0.000 1.255 359 D CA -1.024 52.825 54.000 -0.251 0.000 0.822 359 D CB 2.180 42.894 40.800 -0.144 0.000 1.656 359 D HN 0.180 nan 8.370 nan 0.000 0.511 360 P HA -0.090 nan 4.420 nan 0.000 0.217 360 P C 0.843 178.061 177.300 -0.136 0.000 1.150 360 P CA 0.801 63.731 63.100 -0.283 0.000 0.832 360 P CB 0.343 31.835 31.700 -0.346 0.000 0.787 361 N N -0.474 118.141 118.700 -0.142 0.000 2.513 361 N HA -0.075 4.667 4.740 0.003 0.000 0.187 361 N C 1.684 177.166 175.510 -0.047 0.000 1.056 361 N CA 0.901 53.904 53.050 -0.078 0.000 0.907 361 N CB -0.375 38.067 38.487 -0.075 0.000 0.954 361 N HN 0.365 nan 8.380 nan 0.000 0.445 362 I N -1.328 119.212 120.570 -0.050 0.000 3.534 362 I HA -0.012 4.159 4.170 0.003 0.000 0.251 362 I C 1.641 177.765 176.117 0.011 0.000 1.136 362 I CA 0.273 61.562 61.300 -0.018 0.000 1.475 362 I CB -0.214 37.774 38.000 -0.020 0.000 1.526 362 I HN -0.109 nan 8.210 nan 0.000 0.454 363 V N -0.322 119.595 119.914 0.006 0.000 3.623 363 V HA 0.517 4.638 4.120 0.003 0.000 0.271 363 V C 0.848 177.013 176.094 0.117 0.000 1.248 363 V CA 0.229 62.569 62.300 0.068 0.000 1.156 363 V CB -1.132 30.665 31.823 -0.043 0.000 0.870 363 V HN 0.608 nan 8.190 nan 0.000 0.453 364 G N 0.895 109.732 108.800 0.063 0.000 2.690 364 G HA2 -0.127 3.835 3.960 0.003 0.000 0.686 364 G HA3 -0.127 3.835 3.960 0.003 0.000 0.686 364 G C 0.399 175.362 174.900 0.105 0.000 1.277 364 G CA 0.240 45.385 45.100 0.075 0.000 0.799 364 G HN 1.332 nan 8.290 nan 0.000 0.613 365 S N -0.739 115.013 115.700 0.087 0.000 2.453 365 S HA 0.008 4.480 4.470 0.003 0.000 0.231 365 S C 1.662 176.358 174.600 0.159 0.000 1.005 365 S CA 1.659 59.928 58.200 0.115 0.000 0.949 365 S CB 0.106 63.349 63.200 0.072 0.000 0.774 365 S HN 0.800 nan 8.310 nan 0.000 0.510 366 E N 0.966 121.251 120.200 0.143 0.000 2.028 366 E HA -0.207 4.144 4.350 0.003 0.000 0.190 366 E C 2.036 178.754 176.600 0.196 0.000 0.984 366 E CA 1.012 57.496 56.400 0.140 0.000 0.800 366 E CB -0.323 29.441 29.700 0.107 0.000 0.758 366 E HN 0.848 nan 8.360 nan 0.000 0.448 367 H N -1.313 117.816 119.070 0.099 0.000 2.319 367 H HA -0.213 4.345 4.556 0.003 0.000 0.299 367 H C 2.152 177.541 175.328 0.102 0.000 1.092 367 H CA 1.638 57.743 56.048 0.094 0.000 1.302 367 H CB -0.042 29.775 29.762 0.092 0.000 1.373 367 H HN 0.230 nan 8.280 nan 0.000 0.497 368 Y N 1.568 121.923 120.300 0.092 0.000 2.200 368 Y HA -0.203 4.348 4.550 0.003 0.000 0.290 368 Y C 1.902 177.819 175.900 0.027 0.000 1.137 368 Y CA 1.877 59.969 58.100 -0.015 0.000 1.163 368 Y CB -0.253 38.186 38.460 -0.036 0.000 0.988 368 Y HN 0.311 nan 8.280 nan 0.000 0.518 369 D N -0.556 119.912 120.400 0.113 0.000 2.117 369 D HA -0.175 4.466 4.640 0.003 0.000 0.197 369 D C 2.436 178.723 176.300 -0.023 0.000 0.987 369 D CA 1.606 55.621 54.000 0.025 0.000 0.829 369 D CB -0.590 40.267 40.800 0.095 0.000 0.961 369 D HN 0.290 nan 8.370 nan 0.000 0.460 370 V N 1.559 121.496 119.914 0.039 0.000 2.233 370 V HA -0.289 3.833 4.120 0.003 0.000 0.247 370 V C 2.538 178.617 176.094 -0.024 0.000 1.050 370 V CA 2.054 64.380 62.300 0.044 0.000 1.010 370 V CB -1.027 30.860 31.823 0.107 0.000 0.637 370 V HN 0.213 nan 8.190 nan 0.000 0.444 371 A N 0.117 122.916 122.820 -0.035 0.000 1.869 371 A HA -0.282 4.040 4.320 0.003 0.000 0.218 371 A C 2.294 179.768 177.584 -0.183 0.000 1.203 371 A CA 2.221 54.190 52.037 -0.113 0.000 0.638 371 A CB -0.654 18.287 19.000 -0.097 0.000 0.831 371 A HN 0.420 nan 8.150 nan 0.000 0.450 372 R N -0.559 119.768 120.500 -0.288 0.000 2.117 372 R HA -0.152 4.190 4.340 0.003 0.000 0.243 372 R C 2.326 178.535 176.300 -0.153 0.000 1.143 372 R CA 1.424 57.353 56.100 -0.285 0.000 0.968 372 R CB -1.784 28.256 30.300 -0.433 0.000 0.863 372 R HN 0.592 nan 8.270 nan 0.000 0.444 373 G N 0.306 109.041 108.800 -0.110 0.000 2.433 373 G HA2 -0.206 3.755 3.960 0.003 0.000 0.216 373 G HA3 -0.206 3.755 3.960 0.003 0.000 0.216 373 G C 1.620 176.490 174.900 -0.050 0.000 1.186 373 G CA 0.893 45.961 45.100 -0.055 0.000 0.779 373 G HN 0.188 nan 8.290 nan 0.000 0.543 374 V N 0.654 120.526 119.914 -0.069 0.000 2.324 374 V HA -0.314 3.808 4.120 0.003 0.000 0.250 374 V C 2.925 178.974 176.094 -0.075 0.000 1.060 374 V CA 2.489 64.739 62.300 -0.084 0.000 1.042 374 V CB -0.652 31.049 31.823 -0.204 0.000 0.650 374 V HN 0.438 nan 8.190 nan 0.000 0.450 375 Q N -0.685 119.062 119.800 -0.089 0.000 2.119 375 Q HA -0.202 4.140 4.340 0.003 0.000 0.201 375 Q C 2.361 178.338 176.000 -0.039 0.000 0.972 375 Q CA 1.551 57.314 55.803 -0.066 0.000 0.847 375 Q CB -0.190 28.499 28.738 -0.081 0.000 0.903 375 Q HN 0.585 nan 8.270 nan 0.000 0.433 376 K N 0.863 121.238 120.400 -0.042 0.000 1.985 376 K HA -0.168 4.154 4.320 0.003 0.000 0.210 376 K C 1.986 178.586 176.600 0.000 0.000 1.047 376 K CA 1.300 57.574 56.287 -0.023 0.000 0.932 376 K CB -0.197 32.287 32.500 -0.027 0.000 0.716 376 K HN 0.181 nan 8.250 nan 0.000 0.439 377 I N 0.969 121.541 120.570 0.003 0.000 2.361 377 I HA -0.258 3.914 4.170 0.003 0.000 0.251 377 I C 1.872 178.022 176.117 0.055 0.000 1.133 377 I CA 0.938 62.251 61.300 0.021 0.000 1.413 377 I CB 0.132 38.135 38.000 0.004 0.000 1.073 377 I HN 0.244 nan 8.210 nan 0.000 0.424 378 L N -0.154 121.093 121.223 0.040 0.000 2.072 378 L HA -0.205 4.137 4.340 0.003 0.000 0.205 378 L C 2.553 179.484 176.870 0.101 0.000 1.079 378 L CA 1.164 56.052 54.840 0.079 0.000 0.752 378 L CB -0.518 41.560 42.059 0.033 0.000 0.906 378 L HN 0.282 nan 8.230 nan 0.000 0.436 379 Q N 0.215 120.041 119.800 0.043 0.000 2.119 379 Q HA -0.205 4.137 4.340 0.003 0.000 0.201 379 Q C 1.694 177.709 176.000 0.026 0.000 0.972 379 Q CA 1.681 57.496 55.803 0.021 0.000 0.847 379 Q CB -0.070 28.665 28.738 -0.004 0.000 0.903 379 Q HN 0.354 nan 8.270 nan 0.000 0.433 380 D N -0.886 119.539 120.400 0.043 0.000 2.117 380 D HA -0.178 4.463 4.640 0.003 0.000 0.197 380 D C 1.556 177.896 176.300 0.067 0.000 0.987 380 D CA 1.194 55.219 54.000 0.042 0.000 0.829 380 D CB -0.442 40.384 40.800 0.045 0.000 0.961 380 D HN 0.352 nan 8.370 nan 0.000 0.460 381 Y N 1.833 122.122 120.300 -0.018 0.000 2.165 381 Y HA -0.198 4.354 4.550 0.003 0.000 0.286 381 Y C 2.216 178.105 175.900 -0.018 0.000 1.155 381 Y CA 1.636 59.726 58.100 -0.017 0.000 1.164 381 Y CB -0.147 38.303 38.460 -0.016 0.000 0.978 381 Y HN -0.179 nan 8.280 nan 0.000 0.513 382 K N -0.683 119.640 120.400 -0.128 0.000 2.103 382 K HA -0.135 4.187 4.320 0.003 0.000 0.207 382 K C 2.015 178.496 176.600 -0.200 0.000 1.048 382 K CA 1.598 57.762 56.287 -0.205 0.000 0.930 382 K CB -0.227 32.234 32.500 -0.065 0.000 0.716 382 K HN 0.247 nan 8.250 nan 0.000 0.444 383 S N 0.428 116.051 115.700 -0.128 0.000 2.562 383 S HA 0.103 4.575 4.470 0.003 0.000 0.221 383 S C 1.401 175.936 174.600 -0.109 0.000 0.975 383 S CA 0.220 58.361 58.200 -0.099 0.000 0.918 383 S CB 0.176 63.341 63.200 -0.057 0.000 0.772 383 S HN 0.224 nan 8.310 nan 0.000 0.531 384 L N 0.614 121.746 121.223 -0.151 0.000 2.416 384 L HA 0.095 4.436 4.340 0.003 0.000 0.216 384 L C 2.392 179.147 176.870 -0.193 0.000 1.098 384 L CA 0.343 55.104 54.840 -0.131 0.000 0.840 384 L CB -0.213 41.804 42.059 -0.070 0.000 0.981 384 L HN 0.249 nan 8.230 nan 0.000 0.462 385 Q N 0.538 120.131 119.800 -0.344 0.000 1.900 385 Q HA -0.271 4.070 4.340 0.003 0.000 0.219 385 Q C 1.573 177.469 176.000 -0.173 0.000 1.012 385 Q CA 2.166 57.760 55.803 -0.348 0.000 0.876 385 Q CB -0.258 28.233 28.738 -0.411 0.000 0.952 385 Q HN 0.432 nan 8.270 nan 0.000 0.419 386 D N 0.128 120.444 120.400 -0.140 0.000 2.271 386 D HA -0.158 4.483 4.640 0.003 0.000 0.207 386 D C 1.757 178.017 176.300 -0.067 0.000 0.983 386 D CA 1.046 54.993 54.000 -0.087 0.000 0.878 386 D CB -0.212 40.544 40.800 -0.075 0.000 0.920 386 D HN 0.326 nan 8.370 nan 0.000 0.479 387 I N 0.643 121.170 120.570 -0.073 0.000 2.339 387 I HA -0.111 4.061 4.170 0.003 0.000 0.245 387 I C 2.360 178.454 176.117 -0.039 0.000 1.096 387 I CA 0.584 61.854 61.300 -0.051 0.000 1.408 387 I CB -0.120 37.850 38.000 -0.049 0.000 1.092 387 I HN -0.029 nan 8.210 nan 0.000 0.423 388 I N -1.151 119.394 120.570 -0.042 0.000 3.251 388 I HA 0.119 4.291 4.170 0.003 0.000 0.277 388 I C 2.383 178.490 176.117 -0.017 0.000 1.268 388 I CA 0.736 62.023 61.300 -0.021 0.000 1.449 388 I CB -0.323 37.672 38.000 -0.007 0.000 1.083 388 I HN -0.013 nan 8.210 nan 0.000 0.464 389 A N 1.788 124.590 122.820 -0.030 0.000 2.019 389 A HA 0.008 4.330 4.320 0.003 0.000 0.219 389 A C 2.217 179.791 177.584 -0.015 0.000 1.164 389 A CA 1.691 53.714 52.037 -0.022 0.000 0.644 389 A CB -0.518 18.462 19.000 -0.034 0.000 0.805 389 A HN 0.597 nan 8.150 nan 0.000 0.449 390 I N -2.195 118.365 120.570 -0.017 0.000 3.718 390 I HA 0.109 4.281 4.170 0.003 0.000 0.297 390 I C 1.460 177.571 176.117 -0.010 0.000 1.220 390 I CA 0.259 61.552 61.300 -0.013 0.000 1.381 390 I CB 0.232 38.222 38.000 -0.015 0.000 1.238 390 I HN 0.110 nan 8.210 nan 0.000 0.448 391 L N 1.232 122.448 121.223 -0.011 0.000 2.627 391 L HA 0.282 4.623 4.340 0.003 0.000 0.233 391 L C 0.645 177.513 176.870 -0.003 0.000 1.144 391 L CA -0.001 54.834 54.840 -0.008 0.000 0.892 391 L CB -0.501 41.552 42.059 -0.010 0.000 1.039 391 L HN 0.356 nan 8.230 nan 0.000 0.442 392 G N -0.408 108.391 108.800 -0.001 0.000 2.764 392 G HA2 -0.327 3.635 3.960 0.003 0.000 0.686 392 G HA3 -0.327 3.635 3.960 0.003 0.000 0.686 392 G C 0.112 175.017 174.900 0.008 0.000 1.258 392 G CA 0.029 45.132 45.100 0.004 0.000 0.846 392 G HN 0.092 nan 8.290 nan 0.000 0.596 393 M N 1.028 120.636 119.600 0.013 0.000 2.175 393 M HA 0.046 4.527 4.480 0.003 0.000 0.264 393 M C 1.886 178.197 176.300 0.018 0.000 1.063 393 M CA 2.822 58.134 55.300 0.020 0.000 1.119 393 M CB -0.285 32.330 32.600 0.025 0.000 1.377 393 M HN 0.592 nan 8.290 nan 0.000 0.415 394 D N 0.147 120.555 120.400 0.014 0.000 2.263 394 D HA -0.134 4.508 4.640 0.003 0.000 0.208 394 D C 1.619 177.926 176.300 0.011 0.000 0.971 394 D CA 0.899 54.906 54.000 0.012 0.000 0.867 394 D CB -0.150 40.656 40.800 0.010 0.000 0.929 394 D HN 0.461 nan 8.370 nan 0.000 0.492 395 E N -0.090 120.115 120.200 0.009 0.000 2.418 395 E HA -0.004 4.348 4.350 0.003 0.000 0.197 395 E C 0.693 177.298 176.600 0.009 0.000 1.026 395 E CA 0.058 56.463 56.400 0.007 0.000 0.862 395 E CB 0.250 29.953 29.700 0.004 0.000 0.799 395 E HN 0.390 nan 8.360 nan 0.000 0.518 396 L N 1.345 122.575 121.223 0.012 0.000 2.439 396 L HA 0.045 4.386 4.340 0.003 0.000 0.269 396 L C 0.917 177.795 176.870 0.014 0.000 1.179 396 L CA -0.216 54.633 54.840 0.015 0.000 0.828 396 L CB 0.902 42.975 42.059 0.023 0.000 1.106 396 L HN -0.053 nan 8.230 nan 0.000 0.467 397 S N 1.319 117.027 115.700 0.013 0.000 2.560 397 S HA -0.017 4.455 4.470 0.003 0.000 0.284 397 S C 1.089 175.698 174.600 0.014 0.000 1.327 397 S CA -0.507 57.700 58.200 0.012 0.000 1.055 397 S CB 0.624 63.830 63.200 0.011 0.000 0.868 397 S HN 0.601 nan 8.310 nan 0.000 0.506 398 E N 3.034 123.241 120.200 0.013 0.000 2.463 398 E HA -0.096 4.255 4.350 0.003 0.000 0.201 398 E C 1.191 177.799 176.600 0.013 0.000 1.045 398 E CA 0.938 57.346 56.400 0.013 0.000 0.872 398 E CB 0.071 29.778 29.700 0.011 0.000 0.797 398 E HN 0.748 nan 8.360 nan 0.000 0.538 399 E N -0.095 120.113 120.200 0.013 0.000 2.307 399 E HA -0.029 4.322 4.350 0.003 0.000 0.195 399 E C 1.424 178.034 176.600 0.016 0.000 0.975 399 E CA 0.017 56.425 56.400 0.012 0.000 0.878 399 E CB 0.333 30.039 29.700 0.010 0.000 0.845 399 E HN 0.116 nan 8.360 nan 0.000 0.488 400 D N 1.608 122.020 120.400 0.019 0.000 2.103 400 D HA -0.137 4.505 4.640 0.003 0.000 0.199 400 D C 1.665 177.987 176.300 0.036 0.000 0.978 400 D CA 1.129 55.146 54.000 0.028 0.000 0.829 400 D CB 0.057 40.873 40.800 0.026 0.000 0.981 400 D HN 0.176 nan 8.370 nan 0.000 0.464 401 K N 0.302 120.720 120.400 0.031 0.000 2.525 401 K HA -0.003 4.319 4.320 0.003 0.000 0.192 401 K C 1.758 178.371 176.600 0.020 0.000 1.029 401 K CA 0.293 56.600 56.287 0.033 0.000 1.029 401 K CB 0.155 32.673 32.500 0.030 0.000 0.814 401 K HN -0.008 nan 8.250 nan 0.000 0.503 402 L N 1.839 123.071 121.223 0.015 0.000 2.168 402 L HA -0.045 4.297 4.340 0.003 0.000 0.203 402 L C 2.498 179.363 176.870 -0.009 0.000 1.078 402 L CA 1.787 56.629 54.840 0.003 0.000 0.780 402 L CB -0.374 41.689 42.059 0.006 0.000 0.939 402 L HN 0.485 nan 8.230 nan 0.000 0.451 403 T N -4.034 110.523 114.554 0.004 0.000 2.962 403 T HA -0.107 4.245 4.350 0.003 0.000 0.270 403 T C 1.766 176.459 174.700 -0.013 0.000 1.088 403 T CA 1.329 63.430 62.100 0.001 0.000 1.127 403 T CB -0.634 68.250 68.868 0.027 0.000 0.883 403 T HN 0.075 nan 8.240 nan 0.000 0.493 404 V N 2.383 122.304 119.914 0.013 0.000 2.283 404 V HA -0.119 4.003 4.120 0.003 0.000 0.243 404 V C 3.198 179.193 176.094 -0.164 0.000 1.039 404 V CA 1.955 64.248 62.300 -0.012 0.000 1.016 404 V CB -0.987 30.900 31.823 0.106 0.000 0.650 404 V HN 0.768 nan 8.190 nan 0.000 0.449 405 S N 0.435 116.083 115.700 -0.088 0.000 2.382 405 S HA -0.211 4.260 4.470 0.003 0.000 0.228 405 S C 2.098 176.610 174.600 -0.146 0.000 1.027 405 S CA 1.366 59.507 58.200 -0.098 0.000 0.991 405 S CB -0.405 62.772 63.200 -0.039 0.000 0.823 405 S HN 0.562 nan 8.310 nan 0.000 0.469 406 R N 0.942 121.361 120.500 -0.135 0.000 2.075 406 R HA 0.197 4.539 4.340 0.003 0.000 0.226 406 R C 2.850 179.037 176.300 -0.189 0.000 1.114 406 R CA 1.085 57.094 56.100 -0.152 0.000 0.972 406 R CB -0.778 29.469 30.300 -0.088 0.000 0.869 406 R HN 0.566 nan 8.270 nan 0.000 0.437 407 A N 1.459 124.154 122.820 -0.209 0.000 1.902 407 A HA -0.172 4.150 4.320 0.003 0.000 0.217 407 A C 2.087 179.482 177.584 -0.314 0.000 1.181 407 A CA 1.214 53.107 52.037 -0.240 0.000 0.623 407 A CB -0.386 18.440 19.000 -0.291 0.000 0.818 407 A HN 0.209 nan 8.150 nan 0.000 0.443 408 R N -0.477 119.762 120.500 -0.434 0.000 2.152 408 R HA -0.090 4.252 4.340 0.003 0.000 0.232 408 R C 2.046 178.232 176.300 -0.190 0.000 1.117 408 R CA 1.538 57.435 56.100 -0.337 0.000 0.981 408 R CB -0.169 29.940 30.300 -0.318 0.000 0.870 408 R HN 0.535 nan 8.270 nan 0.000 0.451 409 K N 0.259 120.509 120.400 -0.250 0.000 2.067 409 K HA 0.023 4.345 4.320 0.003 0.000 0.203 409 K C 1.990 178.413 176.600 -0.294 0.000 1.048 409 K CA 0.847 56.898 56.287 -0.393 0.000 0.954 409 K CB 0.024 32.031 32.500 -0.821 0.000 0.737 409 K HN 0.062 nan 8.250 nan 0.000 0.444 410 I N 1.690 122.161 120.570 -0.165 0.000 2.335 410 I HA -0.317 3.855 4.170 0.003 0.000 0.251 410 I C 2.431 178.695 176.117 0.244 0.000 1.129 410 I CA 1.330 62.723 61.300 0.155 0.000 1.402 410 I CB -0.160 37.946 38.000 0.177 0.000 1.069 410 I HN 0.254 nan 8.210 nan 0.000 0.424 411 Q N 0.204 120.054 119.800 0.083 0.000 2.084 411 Q HA -0.221 4.120 4.340 0.003 0.000 0.202 411 Q C 2.387 178.475 176.000 0.146 0.000 0.978 411 Q CA 1.532 57.388 55.803 0.087 0.000 0.844 411 Q CB -0.056 28.695 28.738 0.021 0.000 0.898 411 Q HN 0.457 nan 8.270 nan 0.000 0.426 412 R N -0.638 119.960 120.500 0.165 0.000 2.090 412 R HA -0.082 4.260 4.340 0.003 0.000 0.228 412 R C 1.868 178.348 176.300 0.300 0.000 1.110 412 R CA 0.893 57.157 56.100 0.273 0.000 0.973 412 R CB -0.165 30.319 30.300 0.307 0.000 0.869 412 R HN 0.154 nan 8.270 nan 0.000 0.440 413 F N 0.918 120.952 119.950 0.140 0.000 2.546 413 F HA 0.001 4.530 4.527 0.003 0.000 0.298 413 F C 1.446 177.390 175.800 0.239 0.000 1.120 413 F CA 0.869 58.925 58.000 0.094 0.000 1.456 413 F CB 0.109 39.012 39.000 -0.162 0.000 1.088 413 F HN -0.054 nan 8.300 nan 0.000 0.572 414 L N -0.573 120.821 121.223 0.285 0.000 2.179 414 L HA -0.057 4.284 4.340 0.003 0.000 0.208 414 L C 1.553 178.451 176.870 0.046 0.000 1.096 414 L CA 0.475 55.439 54.840 0.207 0.000 0.779 414 L CB -0.823 41.326 42.059 0.150 0.000 0.922 414 L HN 0.103 nan 8.230 nan 0.000 0.443 415 S N 0.062 115.781 115.700 0.032 0.000 2.584 415 S HA 0.225 4.696 4.470 0.003 0.000 0.270 415 S C -0.275 174.252 174.600 -0.123 0.000 1.346 415 S CA -0.430 57.748 58.200 -0.037 0.000 1.018 415 S CB 1.549 64.747 63.200 -0.002 0.000 0.899 415 S HN 0.320 nan 8.310 nan 0.000 0.542 416 Q N 0.803 120.519 119.800 -0.139 0.000 2.430 416 Q HA 0.321 4.663 4.340 0.003 0.000 0.253 416 Q C -3.140 172.820 176.000 -0.066 0.000 0.945 416 Q CA -1.732 54.019 55.803 -0.086 0.000 0.964 416 Q CB 2.057 30.825 28.738 0.049 0.000 1.460 416 Q HN 0.549 nan 8.270 nan 0.000 0.428 417 P HA 0.059 nan 4.420 nan 0.000 0.267 417 P C -0.977 176.491 177.300 0.281 0.000 1.209 417 P CA 0.558 63.676 63.100 0.030 0.000 0.763 417 P CB 0.113 31.828 31.700 0.025 0.000 0.816 418 F N 1.406 121.357 119.950 0.000 0.000 2.397 418 F HA 0.189 4.718 4.527 0.003 0.000 0.331 418 F C 2.275 178.087 175.800 0.020 0.000 1.090 418 F CA -0.770 57.241 58.000 0.017 0.000 1.065 418 F CB 1.800 40.821 39.000 0.035 0.000 1.184 418 F HN 0.353 nan 8.300 nan 0.000 0.499 419 Q N 1.397 121.270 119.800 0.121 0.000 2.124 419 Q HA -0.127 4.215 4.340 0.003 0.000 0.202 419 Q C 1.324 177.362 176.000 0.065 0.000 0.977 419 Q CA 1.506 57.341 55.803 0.054 0.000 0.850 419 Q CB 0.109 28.840 28.738 -0.012 0.000 0.901 419 Q HN 0.616 nan 8.270 nan 0.000 0.429 420 V N -0.157 119.818 119.914 0.102 0.000 3.541 420 V HA 0.129 4.251 4.120 0.003 0.000 0.267 420 V C 1.214 177.400 176.094 0.152 0.000 1.213 420 V CA 0.927 63.287 62.300 0.100 0.000 1.149 420 V CB 0.232 32.112 31.823 0.096 0.000 0.822 420 V HN 0.358 nan 8.190 nan 0.000 0.462 421 A N -0.584 122.362 122.820 0.211 0.000 2.574 421 A HA 0.295 4.617 4.320 0.003 0.000 0.283 421 A C 1.590 179.228 177.584 0.091 0.000 1.270 421 A CA -0.226 51.974 52.037 0.272 0.000 0.945 421 A CB -0.195 18.998 19.000 0.323 0.000 1.127 421 A HN 0.455 nan 8.150 nan 0.000 0.522 422 E N 0.044 120.246 120.200 0.003 0.000 2.118 422 E HA -0.175 4.176 4.350 0.003 0.000 0.195 422 E C 1.856 178.385 176.600 -0.117 0.000 0.992 422 E CA 1.683 58.068 56.400 -0.025 0.000 0.804 422 E CB -0.288 29.396 29.700 -0.026 0.000 0.741 422 E HN 0.652 nan 8.360 nan 0.000 0.458 423 V N -1.631 118.099 119.914 -0.306 0.000 3.078 423 V HA -0.149 3.972 4.120 0.003 0.000 0.265 423 V C 1.560 177.343 176.094 -0.519 0.000 1.122 423 V CA 1.373 63.392 62.300 -0.468 0.000 1.141 423 V CB -0.820 30.608 31.823 -0.659 0.000 0.735 423 V HN 0.138 nan 8.190 nan 0.000 0.498 424 F N 1.280 121.216 119.950 -0.023 0.000 2.653 424 F HA 0.117 4.646 4.527 0.003 0.000 0.288 424 F C 2.485 178.271 175.800 -0.025 0.000 1.121 424 F CA 0.777 58.746 58.000 -0.050 0.000 1.384 424 F CB 0.041 38.962 39.000 -0.132 0.000 1.115 424 F HN 0.236 nan 8.300 nan 0.000 0.599 425 T N -3.849 110.794 114.554 0.147 0.000 3.046 425 T HA 0.398 4.750 4.350 0.003 0.000 0.242 425 T C 1.965 176.821 174.700 0.259 0.000 1.018 425 T CA 0.752 62.952 62.100 0.166 0.000 1.131 425 T CB 0.170 69.105 68.868 0.113 0.000 0.904 425 T HN 0.320 nan 8.240 nan 0.000 0.459 426 G N 1.266 110.156 108.800 0.149 0.000 2.225 426 G HA2 -0.225 3.736 3.960 0.003 0.000 0.254 426 G HA3 -0.225 3.736 3.960 0.003 0.000 0.254 426 G C -0.040 174.866 174.900 0.011 0.000 0.988 426 G CA 0.281 45.423 45.100 0.070 0.000 0.625 426 G HN 0.781 nan 8.290 nan 0.000 0.527 427 H N -0.750 118.317 119.070 -0.004 0.000 2.488 427 H HA 0.685 5.242 4.556 0.003 0.000 0.347 427 H C 0.324 175.649 175.328 -0.005 0.000 1.174 427 H CA -0.638 55.405 56.048 -0.009 0.000 1.307 427 H CB 1.321 31.070 29.762 -0.022 0.000 1.517 427 H HN 0.227 nan 8.280 nan 0.000 0.554 428 L N 1.262 122.543 121.223 0.096 0.000 2.349 428 L HA 0.313 4.655 4.340 0.003 0.000 0.275 428 L C 0.872 177.789 176.870 0.077 0.000 1.115 428 L CA 0.144 55.018 54.840 0.057 0.000 0.820 428 L CB 0.615 42.688 42.059 0.024 0.000 1.135 428 L HN 0.825 nan 8.230 nan 0.000 0.445 429 G N 4.080 112.918 108.800 0.063 0.000 2.432 429 G HA2 0.250 4.211 3.960 0.003 0.000 0.239 429 G HA3 0.250 4.211 3.960 0.003 0.000 0.239 429 G C -0.598 174.330 174.900 0.047 0.000 1.291 429 G CA -0.384 44.758 45.100 0.071 0.000 0.863 429 G HN 0.533 nan 8.290 nan 0.000 0.560 430 K N 1.551 121.984 120.400 0.054 0.000 2.482 430 K HA 0.315 4.636 4.320 0.003 0.000 0.251 430 K C -1.378 175.231 176.600 0.015 0.000 0.936 430 K CA -0.738 55.567 56.287 0.030 0.000 0.791 430 K CB 2.865 35.383 32.500 0.030 0.000 1.213 430 K HN 0.402 nan 8.250 nan 0.000 0.428 431 L N 3.098 124.320 121.223 -0.002 0.000 2.298 431 L HA 0.384 4.726 4.340 0.003 0.000 0.284 431 L C -1.035 175.833 176.870 -0.003 0.000 1.013 431 L CA -0.824 54.007 54.840 -0.016 0.000 0.824 431 L CB 1.351 43.394 42.059 -0.026 0.000 1.221 431 L HN 0.265 nan 8.230 nan 0.000 0.418 432 V N 6.734 126.647 119.914 -0.002 0.000 2.350 432 V HA 0.382 4.503 4.120 0.003 0.000 0.276 432 V C -1.968 174.134 176.094 0.013 0.000 1.028 432 V CA -1.672 60.634 62.300 0.010 0.000 0.860 432 V CB 0.910 32.738 31.823 0.008 0.000 0.990 432 V HN 0.705 nan 8.190 nan 0.000 0.453 433 P HA 0.025 nan 4.420 nan 0.000 0.268 433 P C 0.752 178.062 177.300 0.016 0.000 1.208 433 P CA -0.258 62.851 63.100 0.016 0.000 0.777 433 P CB 0.684 32.396 31.700 0.019 0.000 0.875 434 L N 3.332 124.557 121.223 0.004 0.000 1.989 434 L HA -0.189 4.153 4.340 0.003 0.000 0.211 434 L C 1.936 178.791 176.870 -0.026 0.000 1.071 434 L CA 2.035 56.862 54.840 -0.022 0.000 0.749 434 L CB -0.992 41.048 42.059 -0.032 0.000 0.890 434 L HN 0.238 nan 8.230 nan 0.000 0.431 435 K N -0.356 120.040 120.400 -0.007 0.000 2.063 435 K HA -0.185 4.136 4.320 0.003 0.000 0.208 435 K C 2.037 178.660 176.600 0.038 0.000 1.048 435 K CA 1.517 57.808 56.287 0.007 0.000 0.928 435 K CB -0.260 32.251 32.500 0.018 0.000 0.713 435 K HN 0.455 nan 8.250 nan 0.000 0.442 436 E N 0.086 120.315 120.200 0.049 0.000 2.153 436 E HA -0.122 4.230 4.350 0.003 0.000 0.194 436 E C 1.976 178.652 176.600 0.126 0.000 0.988 436 E CA 1.141 57.588 56.400 0.077 0.000 0.811 436 E CB -0.135 29.606 29.700 0.068 0.000 0.746 436 E HN 0.298 nan 8.360 nan 0.000 0.466 437 T N 1.416 116.046 114.554 0.128 0.000 2.701 437 T HA -0.075 4.277 4.350 0.003 0.000 0.263 437 T C 2.136 177.023 174.700 0.312 0.000 1.040 437 T CA 0.828 63.069 62.100 0.235 0.000 1.147 437 T CB -0.210 68.766 68.868 0.180 0.000 0.865 437 T HN 0.092 nan 8.240 nan 0.000 0.426 438 I N 0.932 121.588 120.570 0.143 0.000 2.151 438 I HA -0.237 3.935 4.170 0.003 0.000 0.243 438 I C 2.678 178.896 176.117 0.169 0.000 1.080 438 I CA 1.476 62.850 61.300 0.124 0.000 1.339 438 I CB -0.303 37.691 38.000 -0.010 0.000 1.039 438 I HN 0.174 nan 8.210 nan 0.000 0.409 439 K N 0.914 121.389 120.400 0.125 0.000 2.026 439 K HA -0.171 4.151 4.320 0.003 0.000 0.208 439 K C 2.151 178.817 176.600 0.111 0.000 1.048 439 K CA 1.683 58.033 56.287 0.105 0.000 0.929 439 K CB -0.485 32.062 32.500 0.079 0.000 0.713 439 K HN 0.416 nan 8.250 nan 0.000 0.439 440 G N 0.584 109.449 108.800 0.109 0.000 2.491 440 G HA2 -0.262 3.699 3.960 0.003 0.000 0.218 440 G HA3 -0.262 3.699 3.960 0.003 0.000 0.218 440 G C 1.364 176.184 174.900 -0.133 0.000 1.180 440 G CA 0.964 46.040 45.100 -0.039 0.000 0.774 440 G HN 0.289 nan 8.290 nan 0.000 0.562 441 F N 0.390 120.424 119.950 0.141 0.000 2.146 441 F HA 0.008 4.537 4.527 0.003 0.000 0.298 441 F C 2.969 178.802 175.800 0.054 0.000 1.096 441 F CA 1.468 59.530 58.000 0.103 0.000 1.275 441 F CB -0.323 38.764 39.000 0.145 0.000 1.008 441 F HN 0.134 nan 8.300 nan 0.000 0.480 442 Q N 0.340 120.279 119.800 0.232 0.000 2.096 442 Q HA -0.314 4.027 4.340 0.003 0.000 0.208 442 Q C 2.142 178.195 176.000 0.088 0.000 0.993 442 Q CA 2.175 58.058 55.803 0.134 0.000 0.862 442 Q CB -0.162 28.640 28.738 0.108 0.000 0.915 442 Q HN 0.517 nan 8.270 nan 0.000 0.416 443 Q N -0.399 119.451 119.800 0.084 0.000 2.119 443 Q HA -0.132 4.210 4.340 0.003 0.000 0.201 443 Q C 2.089 178.123 176.000 0.057 0.000 0.972 443 Q CA 1.281 57.115 55.803 0.051 0.000 0.847 443 Q CB -0.012 28.805 28.738 0.132 0.000 0.903 443 Q HN 0.476 nan 8.270 nan 0.000 0.433 444 I N 0.446 121.074 120.570 0.097 0.000 2.252 444 I HA -0.270 3.901 4.170 0.003 0.000 0.245 444 I C 2.098 178.226 176.117 0.018 0.000 1.102 444 I CA 0.993 62.325 61.300 0.053 0.000 1.385 444 I CB -0.201 37.731 38.000 -0.113 0.000 1.064 444 I HN 0.159 nan 8.210 nan 0.000 0.414 445 L N 0.570 121.821 121.223 0.046 0.000 2.083 445 L HA -0.196 4.146 4.340 0.003 0.000 0.209 445 L C 2.810 179.687 176.870 0.012 0.000 1.083 445 L CA 1.244 56.103 54.840 0.032 0.000 0.752 445 L CB -0.671 41.419 42.059 0.052 0.000 0.899 445 L HN 0.259 nan 8.230 nan 0.000 0.433 446 A N -0.552 122.272 122.820 0.007 0.000 1.972 446 A HA 0.013 4.335 4.320 0.003 0.000 0.219 446 A C 1.911 179.479 177.584 -0.027 0.000 1.169 446 A CA 1.539 53.568 52.037 -0.013 0.000 0.635 446 A CB -0.557 18.427 19.000 -0.027 0.000 0.810 446 A HN 0.574 nan 8.150 nan 0.000 0.446 447 G N -1.577 107.203 108.800 -0.033 0.000 2.184 447 G HA2 -0.211 3.751 3.960 0.003 0.000 0.206 447 G HA3 -0.211 3.751 3.960 0.003 0.000 0.206 447 G C 0.446 175.312 174.900 -0.057 0.000 0.995 447 G CA 0.571 45.655 45.100 -0.026 0.000 0.651 447 G HN 0.503 nan 8.290 nan 0.000 0.511 448 E N -0.828 119.267 120.200 -0.175 0.000 2.396 448 E HA -0.024 4.327 4.350 0.003 0.000 0.200 448 E C 0.790 177.081 176.600 -0.515 0.000 1.023 448 E CA 1.013 57.181 56.400 -0.387 0.000 0.857 448 E CB -0.142 29.183 29.700 -0.625 0.000 0.775 448 E HN 0.806 nan 8.360 nan 0.000 0.525 449 Y N -1.343 118.983 120.300 0.044 0.000 2.738 449 Y HA 0.134 4.686 4.550 0.003 0.000 0.249 449 Y C 0.707 176.554 175.900 -0.089 0.000 1.153 449 Y CA -0.668 57.388 58.100 -0.073 0.000 1.165 449 Y CB 0.704 39.237 38.460 0.123 0.000 1.235 449 Y HN -0.097 nan 8.280 nan 0.000 0.559 450 D N 0.260 120.720 120.400 0.100 0.000 2.311 450 D HA -0.175 4.467 4.640 0.003 0.000 0.212 450 D C 1.974 178.332 176.300 0.097 0.000 0.972 450 D CA 1.482 55.532 54.000 0.084 0.000 0.887 450 D CB -0.061 40.785 40.800 0.077 0.000 0.915 450 D HN 0.640 nan 8.370 nan 0.000 0.497 451 H N -0.812 118.319 119.070 0.102 0.000 2.525 451 H HA 0.113 4.671 4.556 0.003 0.000 0.275 451 H C 0.958 176.344 175.328 0.098 0.000 0.984 451 H CA -0.104 55.992 56.048 0.079 0.000 1.264 451 H CB -0.183 29.612 29.762 0.055 0.000 1.432 451 H HN 0.073 nan 8.280 nan 0.000 0.549 452 L N 3.744 124.749 121.223 -0.363 0.000 2.426 452 L HA 0.185 4.527 4.340 0.003 0.000 0.271 452 L C -1.932 174.951 176.870 0.021 0.000 1.169 452 L CA -1.698 53.036 54.840 -0.177 0.000 0.836 452 L CB 0.617 42.529 42.059 -0.244 0.000 1.112 452 L HN 0.111 nan 8.230 nan 0.000 0.465 453 P HA 0.099 nan 4.420 nan 0.000 0.275 453 P C 0.261 177.647 177.300 0.143 0.000 1.228 453 P CA -0.373 62.762 63.100 0.059 0.000 0.786 453 P CB 1.147 32.863 31.700 0.026 0.000 0.927 454 E N 0.994 121.282 120.200 0.148 0.000 2.055 454 E HA -0.268 4.083 4.350 0.003 0.000 0.209 454 E C 1.685 178.431 176.600 0.242 0.000 1.036 454 E CA 1.544 58.057 56.400 0.190 0.000 0.849 454 E CB -0.125 29.619 29.700 0.073 0.000 0.767 454 E HN 0.430 nan 8.360 nan 0.000 0.461 455 Q N -0.758 119.122 119.800 0.133 0.000 2.576 455 Q HA -0.115 4.227 4.340 0.003 0.000 0.218 455 Q C 1.659 177.744 176.000 0.141 0.000 0.983 455 Q CA 0.902 56.788 55.803 0.138 0.000 0.920 455 Q CB -0.005 28.782 28.738 0.082 0.000 0.973 455 Q HN 0.312 nan 8.270 nan 0.000 0.528 456 A N -0.707 122.143 122.820 0.050 0.000 2.016 456 A HA -0.050 4.272 4.320 0.003 0.000 0.217 456 A C 1.416 178.876 177.584 -0.207 0.000 1.162 456 A CA 0.544 52.493 52.037 -0.148 0.000 0.662 456 A CB -0.369 18.412 19.000 -0.365 0.000 0.812 456 A HN 0.275 nan 8.150 nan 0.000 0.450 457 F N -2.206 117.767 119.950 0.039 0.000 2.789 457 F HA 0.174 4.703 4.527 0.003 0.000 0.300 457 F C 0.692 176.606 175.800 0.190 0.000 1.132 457 F CA -0.210 57.852 58.000 0.104 0.000 1.404 457 F CB -0.220 38.823 39.000 0.072 0.000 1.114 457 F HN 0.279 nan 8.300 nan 0.000 0.584 458 Y N 1.265 121.671 120.300 0.177 0.000 2.335 458 Y HA 0.316 4.867 4.550 0.003 0.000 0.331 458 Y C 0.793 176.716 175.900 0.038 0.000 1.094 458 Y CA -1.779 56.381 58.100 0.101 0.000 1.253 458 Y CB 0.435 38.938 38.460 0.071 0.000 1.203 458 Y HN 0.156 nan 8.280 nan 0.000 0.508 459 M N 4.932 124.097 119.600 -0.724 0.000 2.253 459 M HA -0.160 4.321 4.480 0.003 0.000 0.195 459 M C -1.719 174.397 176.300 -0.306 0.000 0.512 459 M CA 1.205 56.076 55.300 -0.714 0.000 0.442 459 M CB -1.415 30.459 32.600 -1.211 0.000 1.189 459 M HN 0.424 nan 8.290 nan 0.000 0.923 460 V N -2.098 117.725 119.914 -0.151 0.000 3.126 460 V HA 1.080 5.202 4.120 0.003 0.000 0.314 460 V C 0.906 176.958 176.094 -0.070 0.000 1.138 460 V CA -0.331 61.941 62.300 -0.047 0.000 1.034 460 V CB 1.361 33.197 31.823 0.022 0.000 1.075 460 V HN 0.445 nan 8.190 nan 0.000 0.442 461 G N 0.597 109.384 108.800 -0.022 0.000 3.056 461 G HA2 0.401 4.362 3.960 0.003 0.000 0.175 461 G HA3 0.401 4.362 3.960 0.003 0.000 0.175 461 G C -2.167 172.731 174.900 -0.004 0.000 1.894 461 G CA -0.115 44.965 45.100 -0.034 0.000 0.910 461 G HN 0.773 nan 8.290 nan 0.000 0.462 462 P HA 0.197 nan 4.420 nan 0.000 0.276 462 P C 0.782 178.217 177.300 0.224 0.000 1.252 462 P CA -0.649 62.548 63.100 0.161 0.000 0.802 462 P CB 1.598 33.350 31.700 0.087 0.000 1.035 463 I N 0.907 121.614 120.570 0.228 0.000 2.290 463 I HA -0.324 3.847 4.170 0.003 0.000 0.253 463 I C 1.835 177.853 176.117 -0.165 0.000 1.112 463 I CA 1.897 63.123 61.300 -0.123 0.000 1.377 463 I CB -0.447 37.406 38.000 -0.245 0.000 1.060 463 I HN 0.295 nan 8.210 nan 0.000 0.428 464 E N 0.444 120.613 120.200 -0.051 0.000 2.058 464 E HA -0.265 4.087 4.350 0.003 0.000 0.194 464 E C 2.157 178.707 176.600 -0.084 0.000 0.997 464 E CA 1.706 58.074 56.400 -0.054 0.000 0.801 464 E CB -0.314 29.380 29.700 -0.010 0.000 0.746 464 E HN 0.573 nan 8.360 nan 0.000 0.450 465 E N -0.354 119.816 120.200 -0.050 0.000 2.268 465 E HA -0.072 4.280 4.350 0.003 0.000 0.195 465 E C 1.835 178.370 176.600 -0.108 0.000 0.995 465 E CA 0.661 57.031 56.400 -0.050 0.000 0.836 465 E CB -0.035 29.662 29.700 -0.005 0.000 0.763 465 E HN 0.274 nan 8.360 nan 0.000 0.491 466 A N 0.461 123.165 122.820 -0.193 0.000 1.930 466 A HA -0.118 4.204 4.320 0.003 0.000 0.217 466 A C 2.376 179.685 177.584 -0.458 0.000 1.175 466 A CA 0.929 52.719 52.037 -0.413 0.000 0.627 466 A CB -0.357 18.192 19.000 -0.753 0.000 0.815 466 A HN 0.118 nan 8.150 nan 0.000 0.443 467 V N -0.176 119.511 119.914 -0.378 0.000 2.323 467 V HA -0.187 3.935 4.120 0.003 0.000 0.244 467 V C 3.054 179.061 176.094 -0.145 0.000 1.041 467 V CA 1.785 63.931 62.300 -0.257 0.000 1.025 467 V CB -1.262 30.474 31.823 -0.144 0.000 0.656 467 V HN 0.593 nan 8.190 nan 0.000 0.451 468 A N -0.040 122.714 122.820 -0.110 0.000 1.865 468 A HA -0.295 4.026 4.320 0.003 0.000 0.217 468 A C 2.331 179.874 177.584 -0.069 0.000 1.191 468 A CA 2.308 54.305 52.037 -0.066 0.000 0.623 468 A CB -0.594 18.378 19.000 -0.047 0.000 0.826 468 A HN 0.496 nan 8.150 nan 0.000 0.444 469 K N -0.351 119.997 120.400 -0.087 0.000 2.218 469 K HA -0.133 4.189 4.320 0.003 0.000 0.205 469 K C 2.002 178.556 176.600 -0.077 0.000 1.046 469 K CA 1.138 57.383 56.287 -0.069 0.000 0.933 469 K CB -0.290 32.171 32.500 -0.064 0.000 0.728 469 K HN 0.424 nan 8.250 nan 0.000 0.454 470 A N 1.285 124.033 122.820 -0.120 0.000 1.930 470 A HA -0.167 4.155 4.320 0.003 0.000 0.217 470 A C 1.643 179.200 177.584 -0.044 0.000 1.175 470 A CA 1.721 53.698 52.037 -0.100 0.000 0.627 470 A CB -0.293 18.622 19.000 -0.143 0.000 0.815 470 A HN 0.360 nan 8.150 nan 0.000 0.443 471 D N -0.531 119.848 120.400 -0.036 0.000 2.123 471 D HA -0.112 4.529 4.640 0.003 0.000 0.200 471 D C 1.836 178.130 176.300 -0.011 0.000 0.976 471 D CA 1.133 55.124 54.000 -0.015 0.000 0.831 471 D CB -0.184 40.609 40.800 -0.012 0.000 0.974 471 D HN 0.451 nan 8.370 nan 0.000 0.469 472 K N 0.610 121.001 120.400 -0.016 0.000 2.209 472 K HA -0.061 4.260 4.320 0.003 0.000 0.204 472 K C 2.072 178.671 176.600 -0.003 0.000 1.048 472 K CA 0.475 56.757 56.287 -0.009 0.000 0.940 472 K CB 0.053 32.546 32.500 -0.011 0.000 0.729 472 K HN 0.122 nan 8.250 nan 0.000 0.451 473 L N -0.525 120.696 121.223 -0.004 0.000 2.446 473 L HA 0.055 4.396 4.340 0.003 0.000 0.219 473 L C 2.068 178.942 176.870 0.006 0.000 1.116 473 L CA 0.234 55.077 54.840 0.004 0.000 0.844 473 L CB -0.014 42.048 42.059 0.005 0.000 0.970 473 L HN 0.120 nan 8.230 nan 0.000 0.457 474 A N -0.470 122.352 122.820 0.004 0.000 2.168 474 A HA -0.032 4.290 4.320 0.003 0.000 0.215 474 A C 0.750 178.339 177.584 0.008 0.000 1.152 474 A CA 1.087 53.129 52.037 0.009 0.000 0.716 474 A CB -0.051 18.956 19.000 0.010 0.000 0.794 474 A HN 0.421 nan 8.150 nan 0.000 0.465 475 E N 0.000 120.204 120.200 0.006 0.000 2.725 475 E HA 0.000 4.352 4.350 0.003 0.000 0.291 475 E CA 0.000 56.403 56.400 0.006 0.000 0.976 475 E CB 0.000 29.703 29.700 0.005 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440