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 2v7q_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.833 174.700 0.222 0.000 1.109 9 T CA 0.000 62.178 62.100 0.130 0.000 1.349 9 T CB 0.000 68.953 68.868 0.142 0.000 0.612 10 T N -1.263 113.397 114.554 0.177 0.000 2.841 10 T HA 0.792 5.142 4.350 -0.000 0.000 0.283 10 T C 0.364 174.939 174.700 -0.208 0.000 1.000 10 T CA 0.034 62.168 62.100 0.058 0.000 0.977 10 T CB 1.281 70.141 68.868 -0.013 0.000 0.979 10 T HN 1.328 nan 8.240 nan 0.000 0.446 11 G N 2.086 110.476 108.800 -0.683 0.000 2.667 11 G HA2 0.742 4.702 3.960 -0.000 0.000 0.310 11 G HA3 0.742 4.702 3.960 -0.000 0.000 0.310 11 G C -1.105 173.461 174.900 -0.557 0.000 1.259 11 G CA -1.290 43.082 45.100 -1.214 0.000 1.019 11 G HN 0.872 nan 8.290 nan 0.000 0.496 12 R N -0.712 119.522 120.500 -0.443 0.000 2.686 12 R HA 0.436 4.776 4.340 -0.000 0.000 0.286 12 R C -0.545 175.639 176.300 -0.193 0.000 0.969 12 R CA -0.756 55.202 56.100 -0.237 0.000 0.898 12 R CB 2.505 32.708 30.300 -0.161 0.000 1.183 12 R HN 0.350 nan 8.270 nan 0.000 0.456 13 I N 3.036 123.530 120.570 -0.127 0.000 2.556 13 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 13 I C 1.337 177.417 176.117 -0.062 0.000 1.114 13 I CA 0.037 61.288 61.300 -0.082 0.000 1.418 13 I CB 1.155 39.121 38.000 -0.056 0.000 1.394 13 I HN 0.600 nan 8.210 nan 0.000 0.552 14 V N 2.845 122.732 119.914 -0.046 0.000 3.612 14 V HA 0.604 4.724 4.120 -0.000 0.000 0.268 14 V C 0.473 176.555 176.094 -0.021 0.000 1.365 14 V CA 0.276 62.556 62.300 -0.033 0.000 1.044 14 V CB 0.320 32.125 31.823 -0.031 0.000 0.820 14 V HN 0.717 nan 8.190 nan 0.000 0.444 15 A N -0.230 122.581 122.820 -0.016 0.000 2.589 15 A HA 0.823 5.143 4.320 -0.000 0.000 0.296 15 A C -1.334 176.246 177.584 -0.008 0.000 1.062 15 A CA -0.381 51.650 52.037 -0.010 0.000 0.686 15 A CB 2.218 21.215 19.000 -0.005 0.000 1.282 15 A HN 0.604 nan 8.150 nan 0.000 0.404 16 V N 2.116 122.026 119.914 -0.007 0.000 2.569 16 V HA 0.635 4.755 4.120 -0.000 0.000 0.301 16 V C -1.317 174.774 176.094 -0.004 0.000 1.044 16 V CA -0.251 62.046 62.300 -0.005 0.000 0.874 16 V CB 1.543 33.362 31.823 -0.007 0.000 1.002 16 V HN 0.884 nan 8.190 nan 0.000 0.424 17 I N 4.741 125.309 120.570 -0.003 0.000 2.529 17 I HA 0.791 4.961 4.170 -0.000 0.000 0.284 17 I C 0.582 176.697 176.117 -0.003 0.000 1.088 17 I CA 1.164 62.462 61.300 -0.003 0.000 1.062 17 I CB 1.054 39.052 38.000 -0.003 0.000 1.218 17 I HN 0.931 nan 8.210 nan 0.000 0.442 18 G N 5.900 114.697 108.800 -0.004 0.000 2.651 18 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.315 18 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.315 18 G C 0.959 175.857 174.900 -0.003 0.000 1.258 18 G CA 0.690 45.787 45.100 -0.004 0.000 1.002 18 G HN 1.588 nan 8.290 nan 0.000 0.551 19 A N -0.868 121.949 122.820 -0.005 0.000 2.209 19 A HA 0.488 4.808 4.320 -0.000 0.000 0.212 19 A C 1.094 178.678 177.584 0.000 0.000 1.158 19 A CA 1.869 53.904 52.037 -0.003 0.000 0.742 19 A CB -0.095 18.900 19.000 -0.008 0.000 0.790 19 A HN 1.394 nan 8.150 nan 0.000 0.472 20 V N 0.985 120.899 119.914 -0.000 0.000 2.370 20 V HA 0.408 4.528 4.120 -0.000 0.000 0.283 20 V C -0.626 175.472 176.094 0.006 0.000 1.023 20 V CA -0.450 61.853 62.300 0.004 0.000 0.857 20 V CB 1.402 33.226 31.823 0.002 0.000 0.985 20 V HN 0.079 nan 8.190 nan 0.000 0.443 21 V N 3.966 123.887 119.914 0.012 0.000 2.487 21 V HA 0.501 4.621 4.120 -0.000 0.000 0.298 21 V C -0.781 175.325 176.094 0.019 0.000 1.028 21 V CA -0.825 61.482 62.300 0.011 0.000 0.860 21 V CB 2.098 33.927 31.823 0.011 0.000 0.991 21 V HN 0.782 nan 8.190 nan 0.000 0.427 22 D N 3.070 123.477 120.400 0.012 0.000 2.177 22 D HA 0.611 5.251 4.640 -0.000 0.000 0.247 22 D C -0.574 175.731 176.300 0.007 0.000 1.063 22 D CA -0.104 53.908 54.000 0.019 0.000 0.867 22 D CB 2.287 43.095 40.800 0.014 0.000 1.168 22 D HN 0.272 nan 8.370 nan 0.000 0.445 23 V N 2.109 122.041 119.914 0.030 0.000 2.577 23 V HA 0.275 4.395 4.120 -0.000 0.000 0.303 23 V C -0.216 175.880 176.094 0.004 0.000 1.042 23 V CA -0.867 61.423 62.300 -0.017 0.000 0.872 23 V CB 1.897 33.737 31.823 0.029 0.000 0.998 23 V HN 0.394 nan 8.190 nan 0.000 0.423 24 Q N 3.038 122.771 119.800 -0.112 0.000 2.271 24 Q HA 0.625 4.965 4.340 -0.000 0.000 0.258 24 Q C -1.837 174.040 176.000 -0.205 0.000 0.936 24 Q CA -0.477 55.292 55.803 -0.057 0.000 0.909 24 Q CB 1.378 30.082 28.738 -0.056 0.000 1.253 24 Q HN 0.635 nan 8.270 nan 0.000 0.440 25 F N 2.261 122.182 119.950 -0.049 0.000 2.458 25 F HA 0.222 4.749 4.527 -0.000 0.000 0.336 25 F C 0.600 176.375 175.800 -0.041 0.000 1.114 25 F CA -0.691 57.283 58.000 -0.045 0.000 0.987 25 F CB 1.691 40.657 39.000 -0.056 0.000 1.130 25 F HN 0.621 nan 8.300 nan 0.000 0.458 26 D N 0.903 121.363 120.400 0.099 0.000 2.194 26 D HA -0.018 4.622 4.640 -0.000 0.000 0.204 26 D C 0.206 176.548 176.300 0.070 0.000 0.964 26 D CA 1.342 55.377 54.000 0.059 0.000 0.846 26 D CB 0.350 41.163 40.800 0.021 0.000 0.962 26 D HN 0.536 nan 8.370 nan 0.000 0.490 27 E N -1.160 119.103 120.200 0.104 0.000 2.393 27 E HA 0.483 4.833 4.350 -0.000 0.000 0.273 27 E C -0.261 176.386 176.600 0.078 0.000 0.918 27 E CA -0.853 55.589 56.400 0.070 0.000 0.773 27 E CB 2.362 32.091 29.700 0.047 0.000 1.275 27 E HN 0.011 nan 8.360 nan 0.000 0.451 28 G N 1.820 110.624 108.800 0.007 0.000 2.331 28 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 28 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 28 G C -0.507 174.275 174.900 -0.197 0.000 0.879 28 G CA -0.059 45.007 45.100 -0.057 0.000 1.287 28 G HN 0.206 nan 8.290 nan 0.000 0.383 29 L N 5.002 126.088 121.223 -0.227 0.000 2.418 29 L HA 0.468 4.808 4.340 -0.000 0.000 0.274 29 L C -1.034 175.597 176.870 -0.398 0.000 1.135 29 L CA -1.830 52.757 54.840 -0.421 0.000 0.870 29 L CB 0.460 42.312 42.059 -0.344 0.000 1.154 29 L HN 0.360 nan 8.230 nan 0.000 0.462 30 P HA 0.239 nan 4.420 nan 0.000 0.276 30 P C -2.703 174.571 177.300 -0.043 0.000 1.230 30 P CA -1.406 61.508 63.100 -0.310 0.000 0.776 30 P CB 0.123 31.587 31.700 -0.392 0.000 0.888 31 P HA 0.061 nan 4.420 nan 0.000 0.269 31 P C 0.513 177.816 177.300 0.004 0.000 1.211 31 P CA 0.139 63.257 63.100 0.031 0.000 0.781 31 P CB 0.560 32.240 31.700 -0.033 0.000 0.877 32 I N 2.161 122.663 120.570 -0.112 0.000 2.775 32 I HA -0.129 4.041 4.170 -0.000 0.000 0.290 32 I C 1.686 177.733 176.117 -0.118 0.000 1.203 32 I CA 0.638 61.863 61.300 -0.125 0.000 1.433 32 I CB -0.295 37.580 38.000 -0.209 0.000 1.354 32 I HN 0.449 nan 8.210 nan 0.000 0.579 33 L N 1.861 123.014 121.223 -0.117 0.000 3.803 33 L HA -0.254 4.086 4.340 -0.000 0.000 0.407 33 L C 0.343 177.179 176.870 -0.057 0.000 0.735 33 L CA 0.168 54.908 54.840 -0.166 0.000 2.621 33 L CB -1.367 40.500 42.059 -0.320 0.000 1.075 33 L HN 0.683 nan 8.230 nan 0.000 0.644 34 N N 1.347 120.026 118.700 -0.033 0.000 2.407 34 N HA 0.387 5.127 4.740 -0.000 0.000 0.250 34 N C 0.273 175.793 175.510 0.017 0.000 1.236 34 N CA 1.053 54.099 53.050 -0.008 0.000 0.879 34 N CB 0.778 39.248 38.487 -0.028 0.000 1.088 34 N HN 0.320 nan 8.380 nan 0.000 0.450 35 A N 3.090 125.927 122.820 0.028 0.000 2.309 35 A HA 0.463 4.782 4.320 -0.000 0.000 0.290 35 A C -0.127 177.483 177.584 0.043 0.000 1.206 35 A CA -0.519 51.541 52.037 0.039 0.000 0.850 35 A CB -0.083 18.938 19.000 0.035 0.000 1.118 35 A HN 0.627 nan 8.150 nan 0.000 0.523 36 L N 2.296 123.556 121.223 0.062 0.000 2.334 36 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 36 L C -0.089 176.816 176.870 0.059 0.000 1.036 36 L CA -0.733 54.159 54.840 0.087 0.000 0.807 36 L CB 1.316 43.462 42.059 0.146 0.000 1.231 36 L HN 0.585 nan 8.230 nan 0.000 0.438 37 E N 2.522 122.753 120.200 0.052 0.000 2.133 37 E HA 0.307 4.657 4.350 -0.000 0.000 0.274 37 E C -0.798 175.815 176.600 0.020 0.000 0.930 37 E CA -0.637 55.780 56.400 0.028 0.000 0.770 37 E CB 2.399 32.109 29.700 0.017 0.000 1.104 37 E HN 0.204 nan 8.360 nan 0.000 0.403 38 V N 3.919 123.840 119.914 0.012 0.000 2.555 38 V HA -0.006 4.113 4.120 -0.000 0.000 0.286 38 V C 0.629 176.720 176.094 -0.006 0.000 1.044 38 V CA -0.390 61.910 62.300 -0.001 0.000 1.026 38 V CB 0.734 32.555 31.823 -0.003 0.000 0.981 38 V HN 0.484 nan 8.190 nan 0.000 0.480 39 Q N 2.361 122.153 119.800 -0.013 0.000 2.260 39 Q HA 0.467 4.807 4.340 -0.000 0.000 0.238 39 Q C 1.077 177.069 176.000 -0.014 0.000 0.948 39 Q CA 0.383 56.178 55.803 -0.013 0.000 0.895 39 Q CB 1.118 29.845 28.738 -0.018 0.000 1.218 39 Q HN 1.171 nan 8.270 nan 0.000 0.470 40 G N 1.579 110.372 108.800 -0.012 0.000 2.212 40 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.255 40 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.255 40 G C -0.208 174.686 174.900 -0.009 0.000 1.062 40 G CA 0.103 45.196 45.100 -0.011 0.000 0.815 40 G HN 0.403 nan 8.290 nan 0.000 0.497 41 R N -1.298 119.197 120.500 -0.007 0.000 2.744 41 R HA 0.484 4.824 4.340 -0.000 0.000 0.279 41 R C 0.702 176.999 176.300 -0.004 0.000 0.977 41 R CA -0.883 55.214 56.100 -0.005 0.000 0.906 41 R CB 1.263 31.560 30.300 -0.004 0.000 1.197 41 R HN 0.116 nan 8.270 nan 0.000 0.463 42 E N 0.325 120.523 120.200 -0.003 0.000 2.106 42 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 42 E C 0.397 176.996 176.600 -0.001 0.000 0.984 42 E CA 1.496 57.895 56.400 -0.002 0.000 0.806 42 E CB 0.271 29.970 29.700 -0.002 0.000 0.750 42 E HN 0.637 nan 8.360 nan 0.000 0.458 43 T N -2.286 112.267 114.554 -0.001 0.000 2.907 43 T HA 0.421 4.771 4.350 -0.000 0.000 0.292 43 T C -0.275 174.425 174.700 0.001 0.000 1.043 43 T CA -1.099 61.001 62.100 0.000 0.000 1.003 43 T CB 1.824 70.692 68.868 0.001 0.000 1.084 43 T HN -0.038 nan 8.240 nan 0.000 0.483 44 R N 1.058 121.559 120.500 0.001 0.000 2.488 44 R HA 0.238 4.578 4.340 -0.000 0.000 0.317 44 R C -0.909 175.394 176.300 0.005 0.000 0.941 44 R CA -0.372 55.729 56.100 0.002 0.000 1.076 44 R CB -0.300 30.001 30.300 0.001 0.000 0.917 44 R HN 0.564 nan 8.270 nan 0.000 0.407 45 L N 6.423 127.649 121.223 0.005 0.000 2.294 45 L HA 0.340 4.679 4.340 -0.000 0.000 0.283 45 L C -1.216 175.662 176.870 0.013 0.000 1.015 45 L CA -0.497 54.348 54.840 0.008 0.000 0.831 45 L CB 1.760 43.822 42.059 0.006 0.000 1.217 45 L HN 0.367 nan 8.230 nan 0.000 0.420 46 V N 6.339 126.264 119.914 0.017 0.000 2.439 46 V HA 0.433 4.552 4.120 -0.000 0.000 0.282 46 V C 0.069 176.181 176.094 0.031 0.000 1.039 46 V CA -0.531 61.784 62.300 0.025 0.000 0.913 46 V CB 1.554 33.392 31.823 0.025 0.000 0.983 46 V HN 0.569 nan 8.190 nan 0.000 0.460 47 L N 4.312 125.559 121.223 0.040 0.000 2.313 47 L HA 0.573 4.913 4.340 -0.000 0.000 0.283 47 L C 0.091 176.993 176.870 0.054 0.000 1.013 47 L CA -0.307 54.561 54.840 0.045 0.000 0.816 47 L CB 1.634 43.724 42.059 0.052 0.000 1.236 47 L HN 0.647 nan 8.230 nan 0.000 0.419 48 E N 2.698 122.928 120.200 0.051 0.000 2.174 48 E HA 0.305 4.654 4.350 -0.000 0.000 0.282 48 E C -0.901 175.723 176.600 0.039 0.000 0.992 48 E CA -0.784 55.647 56.400 0.051 0.000 0.803 48 E CB 1.663 31.405 29.700 0.071 0.000 1.090 48 E HN 0.344 nan 8.360 nan 0.000 0.396 49 V N 4.422 124.356 119.914 0.033 0.000 2.529 49 V HA 0.053 4.173 4.120 -0.000 0.000 0.292 49 V C 0.923 177.022 176.094 0.008 0.000 1.028 49 V CA 0.944 63.268 62.300 0.040 0.000 1.074 49 V CB 0.701 32.552 31.823 0.046 0.000 0.958 49 V HN 0.887 nan 8.190 nan 0.000 0.481 50 A N 4.323 127.156 122.820 0.022 0.000 2.026 50 A HA 0.331 4.651 4.320 -0.000 0.000 0.201 50 A C 0.714 178.296 177.584 -0.004 0.000 1.318 50 A CA 0.230 52.264 52.037 -0.005 0.000 0.857 50 A CB 0.390 19.391 19.000 0.002 0.000 0.939 50 A HN 0.750 nan 8.150 nan 0.000 0.476 51 Q N -0.814 119.014 119.800 0.046 0.000 2.377 51 Q HA 0.348 4.688 4.340 -0.000 0.000 0.279 51 Q C -1.732 174.383 176.000 0.191 0.000 1.049 51 Q CA -0.506 55.334 55.803 0.060 0.000 0.825 51 Q CB 1.966 30.731 28.738 0.044 0.000 1.401 51 Q HN 0.641 nan 8.270 nan 0.000 0.404 52 H N 2.406 121.468 119.070 -0.013 0.000 2.597 52 H HA 0.244 4.800 4.556 -0.000 0.000 0.303 52 H C 0.553 175.882 175.328 0.001 0.000 1.057 52 H CA -0.270 55.773 56.048 -0.007 0.000 1.261 52 H CB 1.093 30.844 29.762 -0.019 0.000 1.397 52 H HN 0.445 nan 8.280 nan 0.000 0.461 53 L N 2.889 124.171 121.223 0.098 0.000 2.509 53 L HA 0.175 4.515 4.340 -0.000 0.000 0.222 53 L C 1.185 178.080 176.870 0.042 0.000 1.123 53 L CA 0.445 55.320 54.840 0.057 0.000 0.856 53 L CB 0.022 42.105 42.059 0.040 0.000 0.985 53 L HN 0.890 nan 8.230 nan 0.000 0.456 54 G N 0.326 109.147 108.800 0.036 0.000 2.663 54 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 54 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 54 G C -0.030 174.874 174.900 0.005 0.000 1.288 54 G CA -0.439 44.672 45.100 0.019 0.000 0.836 54 G HN 0.338 nan 8.290 nan 0.000 0.584 55 E N -0.976 119.225 120.200 0.003 0.000 2.360 55 E HA -0.209 4.141 4.350 -0.000 0.000 0.238 55 E C 0.923 177.523 176.600 0.001 0.000 1.186 55 E CA 0.932 57.333 56.400 0.002 0.000 0.719 55 E CB -1.633 28.070 29.700 0.004 0.000 1.236 55 E HN 2.003 nan 8.360 nan 0.000 0.386 56 S N -1.489 114.204 115.700 -0.012 0.000 3.581 56 S HA -0.206 4.264 4.470 -0.000 0.000 0.354 56 S C 0.050 174.667 174.600 0.028 0.000 1.059 56 S CA 1.492 59.687 58.200 -0.008 0.000 1.060 56 S CB -0.903 62.310 63.200 0.022 0.000 0.908 56 S HN 0.472 nan 8.310 nan 0.000 0.475 57 T N 1.147 115.704 114.554 0.004 0.000 2.841 57 T HA 0.651 5.001 4.350 -0.000 0.000 0.283 57 T C 0.181 174.894 174.700 0.021 0.000 1.000 57 T CA -0.404 61.720 62.100 0.039 0.000 0.977 57 T CB 1.921 70.805 68.868 0.026 0.000 0.979 57 T HN 0.498 nan 8.240 nan 0.000 0.446 58 V N 1.052 121.012 119.914 0.077 0.000 2.715 58 V HA 0.793 4.912 4.120 -0.000 0.000 0.310 58 V C -0.350 175.798 176.094 0.089 0.000 1.054 58 V CA -1.363 60.985 62.300 0.080 0.000 0.928 58 V CB 1.787 33.664 31.823 0.089 0.000 1.007 58 V HN 0.871 nan 8.190 nan 0.000 0.437 59 R N 2.009 122.558 120.500 0.083 0.000 2.460 59 R HA 0.777 5.117 4.340 -0.000 0.000 0.303 59 R C -0.253 176.083 176.300 0.060 0.000 0.968 59 R CA 0.328 56.464 56.100 0.060 0.000 0.889 59 R CB 1.726 32.052 30.300 0.044 0.000 1.123 59 R HN 1.197 nan 8.270 nan 0.000 0.455 60 T N 1.034 115.617 114.554 0.050 0.000 2.901 60 T HA 0.554 4.903 4.350 -0.000 0.000 0.293 60 T C -0.320 174.398 174.700 0.030 0.000 1.084 60 T CA -0.846 61.282 62.100 0.047 0.000 1.008 60 T CB 1.185 70.091 68.868 0.064 0.000 1.170 60 T HN 0.441 nan 8.240 nan 0.000 0.509 61 I N 1.610 122.197 120.570 0.027 0.000 2.406 61 I HA 0.597 4.767 4.170 -0.000 0.000 0.290 61 I C 0.550 176.680 176.117 0.022 0.000 0.999 61 I CA -1.201 60.109 61.300 0.017 0.000 1.124 61 I CB 1.680 39.687 38.000 0.011 0.000 1.289 61 I HN 0.984 nan 8.210 nan 0.000 0.441 62 A N 6.994 129.823 122.820 0.015 0.000 2.388 62 A HA 0.449 4.768 4.320 -0.000 0.000 0.257 62 A C 0.753 178.346 177.584 0.015 0.000 1.095 62 A CA -0.257 51.790 52.037 0.016 0.000 0.791 62 A CB 0.500 19.506 19.000 0.010 0.000 1.029 62 A HN 0.772 nan 8.150 nan 0.000 0.489 63 M N 0.691 120.302 119.600 0.018 0.000 2.428 63 M HA 0.175 4.655 4.480 -0.000 0.000 0.239 63 M C -0.115 176.193 176.300 0.014 0.000 1.121 63 M CA 0.622 55.933 55.300 0.018 0.000 1.019 63 M CB -0.789 31.825 32.600 0.023 0.000 1.485 63 M HN 0.802 nan 8.290 nan 0.000 0.484 64 D N -1.058 119.349 120.400 0.011 0.000 2.752 64 D HA 0.458 5.098 4.640 -0.000 0.000 0.313 64 D C -0.541 175.762 176.300 0.006 0.000 1.225 64 D CA -0.200 53.806 54.000 0.009 0.000 0.976 64 D CB 1.380 42.185 40.800 0.009 0.000 1.443 64 D HN 0.107 nan 8.370 nan 0.000 0.515 65 G N -0.881 107.922 108.800 0.005 0.000 2.491 65 G HA2 0.333 4.293 3.960 -0.000 0.000 0.238 65 G HA3 0.333 4.293 3.960 -0.000 0.000 0.238 65 G C 0.815 175.716 174.900 0.002 0.000 1.277 65 G CA 0.560 45.662 45.100 0.003 0.000 0.851 65 G HN 0.398 nan 8.290 nan 0.000 0.573 66 T N -1.221 113.334 114.554 0.000 0.000 3.105 66 T HA 0.192 4.542 4.350 -0.000 0.000 0.253 66 T C 0.370 175.069 174.700 -0.003 0.000 1.047 66 T CA -0.259 61.841 62.100 -0.001 0.000 0.944 66 T CB 0.019 68.887 68.868 -0.001 0.000 1.016 66 T HN 0.524 nan 8.240 nan 0.000 0.544 67 E N 1.546 121.745 120.200 -0.002 0.000 2.442 67 E HA 0.438 4.788 4.350 -0.000 0.000 0.262 67 E C 1.431 178.028 176.600 -0.004 0.000 1.004 67 E CA 0.758 57.156 56.400 -0.003 0.000 0.928 67 E CB -0.388 29.311 29.700 -0.002 0.000 0.937 67 E HN 0.328 nan 8.360 nan 0.000 0.446 68 G N 1.627 110.424 108.800 -0.005 0.000 2.195 68 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.246 68 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.246 68 G C 0.094 174.989 174.900 -0.009 0.000 0.984 68 G CA -0.082 45.014 45.100 -0.006 0.000 0.633 68 G HN 0.384 nan 8.290 nan 0.000 0.525 69 L N 0.761 121.979 121.223 -0.009 0.000 2.439 69 L HA 0.573 4.913 4.340 -0.000 0.000 0.269 69 L C 0.481 177.343 176.870 -0.014 0.000 1.179 69 L CA -0.472 54.361 54.840 -0.012 0.000 0.828 69 L CB 1.350 43.402 42.059 -0.011 0.000 1.106 69 L HN -0.005 nan 8.230 nan 0.000 0.467 70 V N 2.671 122.574 119.914 -0.018 0.000 2.789 70 V HA 0.367 4.487 4.120 -0.000 0.000 0.311 70 V C -0.080 176.000 176.094 -0.025 0.000 1.073 70 V CA -0.908 61.380 62.300 -0.019 0.000 0.921 70 V CB 2.103 33.914 31.823 -0.019 0.000 1.009 70 V HN 0.669 nan 8.190 nan 0.000 0.426 71 R N 2.249 122.735 120.500 -0.024 0.000 2.484 71 R HA 0.444 4.784 4.340 -0.000 0.000 0.293 71 R C 1.257 177.536 176.300 -0.035 0.000 1.023 71 R CA 1.060 57.142 56.100 -0.029 0.000 1.037 71 R CB 0.222 30.508 30.300 -0.025 0.000 0.951 71 R HN 1.193 nan 8.270 nan 0.000 0.418 72 G N 1.736 110.509 108.800 -0.046 0.000 2.238 72 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 72 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 72 G C 0.170 175.034 174.900 -0.059 0.000 0.996 72 G CA -0.163 44.905 45.100 -0.052 0.000 0.632 72 G HN 0.585 nan 8.290 nan 0.000 0.503 73 Q N 1.344 121.112 119.800 -0.053 0.000 2.361 73 Q HA 0.411 4.751 4.340 -0.000 0.000 0.276 73 Q C 0.128 176.085 176.000 -0.071 0.000 1.022 73 Q CA 0.078 55.850 55.803 -0.051 0.000 0.898 73 Q CB 0.436 29.151 28.738 -0.039 0.000 1.246 73 Q HN 0.151 nan 8.270 nan 0.000 0.410 74 K N 2.019 122.379 120.400 -0.067 0.000 2.154 74 K HA 0.415 4.735 4.320 -0.000 0.000 0.264 74 K C -0.980 175.573 176.600 -0.079 0.000 1.008 74 K CA -0.399 55.836 56.287 -0.087 0.000 0.937 74 K CB 1.506 33.965 32.500 -0.067 0.000 1.002 74 K HN 0.428 nan 8.250 nan 0.000 0.469 75 V N 3.026 122.874 119.914 -0.110 0.000 2.760 75 V HA 0.319 4.438 4.120 -0.000 0.000 0.309 75 V C -0.976 175.111 176.094 -0.011 0.000 1.077 75 V CA -0.994 61.268 62.300 -0.063 0.000 0.910 75 V CB 2.074 33.846 31.823 -0.085 0.000 1.008 75 V HN 0.460 nan 8.190 nan 0.000 0.424 76 L N 3.354 124.607 121.223 0.051 0.000 2.322 76 L HA 0.550 4.890 4.340 -0.000 0.000 0.281 76 L C -0.183 176.767 176.870 0.133 0.000 1.014 76 L CA -0.114 54.780 54.840 0.090 0.000 0.815 76 L CB 1.555 43.641 42.059 0.044 0.000 1.247 76 L HN 0.652 nan 8.230 nan 0.000 0.421 77 D N 0.657 121.164 120.400 0.179 0.000 2.343 77 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 77 D C 1.097 177.424 176.300 0.045 0.000 1.187 77 D CA 0.295 54.358 54.000 0.106 0.000 0.875 77 D CB 1.250 42.079 40.800 0.048 0.000 1.136 77 D HN 0.550 nan 8.370 nan 0.000 0.469 78 S N 2.744 118.459 115.700 0.025 0.000 2.489 78 S HA 0.094 4.564 4.470 -0.000 0.000 0.228 78 S C 1.691 176.285 174.600 -0.010 0.000 0.995 78 S CA 0.577 58.779 58.200 0.002 0.000 0.934 78 S CB -0.239 62.957 63.200 -0.006 0.000 0.771 78 S HN 0.933 nan 8.310 nan 0.000 0.522 79 G N 0.246 109.039 108.800 -0.013 0.000 2.143 79 G HA2 0.141 4.101 3.960 -0.000 0.000 0.249 79 G HA3 0.141 4.101 3.960 -0.000 0.000 0.249 79 G C 0.124 175.013 174.900 -0.018 0.000 0.981 79 G CA -0.113 44.975 45.100 -0.021 0.000 0.665 79 G HN 1.618 nan 8.290 nan 0.000 0.528 80 A N -1.242 121.571 122.820 -0.012 0.000 2.601 80 A HA 0.891 5.211 4.320 -0.000 0.000 0.291 80 A C -2.955 174.636 177.584 0.011 0.000 1.075 80 A CA -0.608 51.427 52.037 -0.003 0.000 0.671 80 A CB 0.946 19.942 19.000 -0.006 0.000 1.277 80 A HN 0.110 nan 8.150 nan 0.000 0.417 81 P HA 0.308 nan 4.420 nan 0.000 0.272 81 P C -0.281 177.060 177.300 0.067 0.000 1.254 81 P CA -0.215 62.930 63.100 0.076 0.000 0.795 81 P CB 0.224 32.007 31.700 0.137 0.000 1.022 82 I N 0.833 121.459 120.570 0.092 0.000 2.741 82 I HA -0.063 4.107 4.170 -0.000 0.000 0.288 82 I C 1.159 177.296 176.117 0.035 0.000 1.192 82 I CA 0.976 62.306 61.300 0.050 0.000 1.426 82 I CB -0.134 37.893 38.000 0.046 0.000 1.367 82 I HN 0.128 nan 8.210 nan 0.000 0.563 83 R N 7.242 127.752 120.500 0.017 0.000 2.599 83 R HA 0.709 5.049 4.340 -0.000 0.000 0.295 83 R C -0.762 175.583 176.300 0.076 0.000 0.963 83 R CA -0.815 55.307 56.100 0.036 0.000 0.883 83 R CB 2.180 32.483 30.300 0.006 0.000 1.171 83 R HN 0.594 nan 8.270 nan 0.000 0.450 84 I N -1.275 119.371 120.570 0.127 0.000 2.892 84 I HA 0.627 4.797 4.170 -0.000 0.000 0.306 84 I C -2.616 173.616 176.117 0.191 0.000 1.078 84 I CA -3.390 57.999 61.300 0.149 0.000 1.032 84 I CB 2.362 40.382 38.000 0.034 0.000 1.229 84 I HN 0.294 nan 8.210 nan 0.000 0.435 85 P HA 0.103 nan 4.420 nan 0.000 0.262 85 P C -0.601 176.512 177.300 -0.311 0.000 1.199 85 P CA 0.017 62.961 63.100 -0.260 0.000 0.763 85 P CB 0.598 32.195 31.700 -0.173 0.000 0.790 86 V N 1.058 120.676 119.914 -0.494 0.000 2.914 86 V HA 1.028 5.148 4.120 -0.000 0.000 0.314 86 V C 0.106 175.620 176.094 -0.967 0.000 1.084 86 V CA -0.248 61.656 62.300 -0.660 0.000 0.963 86 V CB 1.541 32.984 31.823 -0.634 0.000 1.025 86 V HN 0.901 nan 8.190 nan 0.000 0.432 87 G N 2.795 110.926 108.800 -1.116 0.000 2.371 87 G HA2 0.115 4.074 3.960 -0.000 0.000 0.663 87 G HA3 0.115 4.074 3.960 -0.000 0.000 0.663 87 G C -2.469 172.303 174.900 -0.213 0.000 1.311 87 G CA -0.059 44.571 45.100 -0.783 0.000 0.985 87 G HN 0.695 nan 8.290 nan 0.000 0.566 88 P HA -0.006 nan 4.420 nan 0.000 0.222 88 P C 1.075 178.372 177.300 -0.006 0.000 1.147 88 P CA 1.413 64.567 63.100 0.090 0.000 0.790 88 P CB 0.128 31.872 31.700 0.075 0.000 0.780 89 E N -0.478 119.687 120.200 -0.058 0.000 2.478 89 E HA -0.079 4.271 4.350 -0.000 0.000 0.198 89 E C 1.859 178.428 176.600 -0.052 0.000 1.046 89 E CA 1.310 57.673 56.400 -0.062 0.000 0.870 89 E CB -0.977 28.669 29.700 -0.090 0.000 0.818 89 E HN 0.426 nan 8.360 nan 0.000 0.527 90 T N -1.787 112.739 114.554 -0.046 0.000 3.023 90 T HA 0.044 4.394 4.350 -0.000 0.000 0.266 90 T C 0.846 175.573 174.700 0.046 0.000 1.093 90 T CA -0.021 62.072 62.100 -0.011 0.000 1.129 90 T CB -0.144 68.706 68.868 -0.030 0.000 0.899 90 T HN -0.020 nan 8.240 nan 0.000 0.491 91 L N 1.846 123.093 121.223 0.040 0.000 2.455 91 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 91 L C 1.704 178.588 176.870 0.023 0.000 1.174 91 L CA 0.713 55.556 54.840 0.004 0.000 0.869 91 L CB 0.191 42.172 42.059 -0.131 0.000 1.130 91 L HN 0.526 nan 8.230 nan 0.000 0.474 92 G N 1.744 110.577 108.800 0.056 0.000 2.184 92 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 92 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 92 G C 0.383 175.358 174.900 0.124 0.000 0.975 92 G CA -0.217 44.936 45.100 0.088 0.000 0.642 92 G HN 0.471 nan 8.290 nan 0.000 0.536 93 R N -0.256 120.295 120.500 0.086 0.000 2.674 93 R HA 0.768 5.108 4.340 -0.000 0.000 0.266 93 R C 0.353 176.675 176.300 0.037 0.000 1.016 93 R CA -0.958 55.176 56.100 0.057 0.000 1.062 93 R CB 0.805 31.119 30.300 0.024 0.000 1.142 93 R HN 0.317 nan 8.270 nan 0.000 0.517 94 I N 1.686 122.235 120.570 -0.035 0.000 2.406 94 I HA 0.432 4.602 4.170 -0.000 0.000 0.290 94 I C 0.090 176.202 176.117 -0.008 0.000 0.999 94 I CA -0.392 60.887 61.300 -0.035 0.000 1.124 94 I CB 1.501 39.390 38.000 -0.186 0.000 1.289 94 I HN 0.196 nan 8.210 nan 0.000 0.441 95 M N 5.581 125.202 119.600 0.035 0.000 2.528 95 M HA 0.393 4.873 4.480 -0.000 0.000 0.321 95 M C -0.103 176.226 176.300 0.048 0.000 1.153 95 M CA -0.524 54.792 55.300 0.027 0.000 0.951 95 M CB 2.429 35.040 32.600 0.018 0.000 1.705 95 M HN 0.693 nan 8.290 nan 0.000 0.451 96 N N 0.352 119.073 118.700 0.036 0.000 2.495 96 N HA 0.301 5.041 4.740 -0.000 0.000 0.294 96 N C 0.748 176.275 175.510 0.028 0.000 1.276 96 N CA -0.876 52.200 53.050 0.043 0.000 0.973 96 N CB 0.586 39.093 38.487 0.034 0.000 1.143 96 N HN 0.395 nan 8.380 nan 0.000 0.589 97 V N -0.897 119.032 119.914 0.025 0.000 2.324 97 V HA -0.250 3.869 4.120 -0.000 0.000 0.250 97 V C 2.054 178.152 176.094 0.007 0.000 1.060 97 V CA 1.893 64.200 62.300 0.012 0.000 1.042 97 V CB -1.358 30.474 31.823 0.015 0.000 0.650 97 V HN 0.760 nan 8.190 nan 0.000 0.450 98 I N -1.660 118.918 120.570 0.014 0.000 3.855 98 I HA 0.679 4.849 4.170 -0.000 0.000 0.327 98 I C 1.365 177.495 176.117 0.022 0.000 1.359 98 I CA 0.518 61.827 61.300 0.014 0.000 1.142 98 I CB -0.150 37.858 38.000 0.015 0.000 1.041 98 I HN 0.363 nan 8.210 nan 0.000 0.403 99 G N 1.118 109.931 108.800 0.022 0.000 2.159 99 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 99 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 99 G C -0.080 174.842 174.900 0.037 0.000 0.977 99 G CA 0.060 45.180 45.100 0.032 0.000 0.652 99 G HN 0.644 nan 8.290 nan 0.000 0.531 100 E N 1.921 122.137 120.200 0.027 0.000 2.354 100 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 100 E C -2.054 174.555 176.600 0.014 0.000 1.036 100 E CA -1.566 54.848 56.400 0.023 0.000 0.876 100 E CB 1.027 30.736 29.700 0.015 0.000 1.009 100 E HN 0.214 nan 8.360 nan 0.000 0.416 101 P HA -0.011 nan 4.420 nan 0.000 0.271 101 P C 0.048 177.339 177.300 -0.015 0.000 1.220 101 P CA 0.509 63.607 63.100 -0.004 0.000 0.768 101 P CB 0.297 31.998 31.700 0.000 0.000 0.848 102 I N -0.328 120.220 120.570 -0.037 0.000 3.947 102 I HA 0.257 4.427 4.170 -0.000 0.000 0.327 102 I C 0.008 176.065 176.117 -0.100 0.000 1.519 102 I CA -0.296 60.972 61.300 -0.054 0.000 1.122 102 I CB 0.039 38.012 38.000 -0.045 0.000 1.146 102 I HN 0.022 nan 8.210 nan 0.000 0.442 103 D N 0.256 120.597 120.400 -0.098 0.000 2.440 103 D HA 0.047 4.687 4.640 -0.000 0.000 0.216 103 D C 0.395 176.677 176.300 -0.029 0.000 1.150 103 D CA -0.227 53.699 54.000 -0.124 0.000 0.832 103 D CB -0.141 40.558 40.800 -0.167 0.000 0.992 103 D HN 0.463 nan 8.370 nan 0.000 0.502 104 E N -0.147 120.043 120.200 -0.016 0.000 2.722 104 E HA -0.274 4.076 4.350 -0.000 0.000 0.265 104 E C 0.336 176.947 176.600 0.018 0.000 1.081 104 E CA 0.346 56.749 56.400 0.006 0.000 0.781 104 E CB -1.204 28.504 29.700 0.014 0.000 1.372 104 E HN 0.439 nan 8.360 nan 0.000 0.423 105 R N -0.061 120.450 120.500 0.018 0.000 2.509 105 R HA 0.284 4.624 4.340 -0.000 0.000 0.300 105 R C 0.909 177.220 176.300 0.018 0.000 0.985 105 R CA 0.309 56.424 56.100 0.025 0.000 1.092 105 R CB 1.160 31.483 30.300 0.038 0.000 1.237 105 R HN 0.303 nan 8.270 nan 0.000 0.546 106 G N 1.984 110.792 108.800 0.014 0.000 2.681 106 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 106 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 106 G C -2.553 172.355 174.900 0.014 0.000 1.353 106 G CA -1.229 43.879 45.100 0.014 0.000 0.872 106 G HN 0.034 nan 8.290 nan 0.000 0.557 107 P HA 0.402 nan 4.420 nan 0.000 0.269 107 P C 0.145 177.453 177.300 0.013 0.000 1.215 107 P CA -0.159 62.955 63.100 0.023 0.000 0.780 107 P CB 0.341 32.060 31.700 0.031 0.000 0.898 108 I N 2.662 123.239 120.570 0.011 0.000 2.281 108 I HA 0.127 4.297 4.170 -0.000 0.000 0.293 108 I C 0.778 176.867 176.117 -0.047 0.000 1.085 108 I CA -0.210 61.077 61.300 -0.022 0.000 1.257 108 I CB 0.049 38.029 38.000 -0.034 0.000 1.430 108 I HN 0.128 nan 8.210 nan 0.000 0.489 109 K N 5.308 125.680 120.400 -0.047 0.000 2.737 109 K HA 0.111 4.431 4.320 -0.000 0.000 0.251 109 K C 0.446 176.976 176.600 -0.117 0.000 1.280 109 K CA -0.224 56.031 56.287 -0.052 0.000 1.219 109 K CB -0.344 32.142 32.500 -0.022 0.000 1.587 109 K HN 0.619 nan 8.250 nan 0.000 0.279 110 T N -2.117 112.298 114.554 -0.231 0.000 2.868 110 T HA 0.157 4.507 4.350 -0.000 0.000 0.292 110 T C 0.895 175.396 174.700 -0.332 0.000 1.028 110 T CA -0.672 61.224 62.100 -0.341 0.000 1.059 110 T CB 1.500 70.038 68.868 -0.551 0.000 0.991 110 T HN 0.218 nan 8.240 nan 0.000 0.531 111 K N 0.588 120.832 120.400 -0.261 0.000 2.404 111 K HA 0.127 4.447 4.320 -0.000 0.000 0.194 111 K C 0.083 176.579 176.600 -0.174 0.000 1.023 111 K CA 0.284 56.477 56.287 -0.157 0.000 1.094 111 K CB 0.248 32.705 32.500 -0.072 0.000 0.841 111 K HN 0.580 nan 8.250 nan 0.000 0.523 112 Q N -0.901 118.686 119.800 -0.355 0.000 2.416 112 Q HA 0.466 4.806 4.340 -0.000 0.000 0.281 112 Q C -1.210 174.448 176.000 -0.570 0.000 1.067 112 Q CA -0.589 55.049 55.803 -0.275 0.000 0.809 112 Q CB 1.677 30.321 28.738 -0.157 0.000 1.418 112 Q HN -0.092 nan 8.270 nan 0.000 0.411 113 F N 0.080 119.980 119.950 -0.083 0.000 2.598 113 F HA 0.946 5.473 4.527 -0.000 0.000 0.327 113 F C -0.286 175.476 175.800 -0.063 0.000 1.057 113 F CA -1.036 56.912 58.000 -0.086 0.000 0.957 113 F CB 1.980 40.947 39.000 -0.056 0.000 1.278 113 F HN 0.562 nan 8.300 nan 0.000 0.484 114 A N 0.744 123.641 122.820 0.129 0.000 2.486 114 A HA 0.807 5.127 4.320 -0.000 0.000 0.300 114 A C -1.158 176.462 177.584 0.061 0.000 1.048 114 A CA -0.746 51.333 52.037 0.071 0.000 0.696 114 A CB 0.956 19.970 19.000 0.025 0.000 1.278 114 A HN 1.044 nan 8.150 nan 0.000 0.405 115 A N 1.264 124.115 122.820 0.052 0.000 2.462 115 A HA 0.456 4.776 4.320 -0.000 0.000 0.243 115 A C 1.071 178.661 177.584 0.010 0.000 1.076 115 A CA 0.265 52.328 52.037 0.045 0.000 0.773 115 A CB -0.385 18.653 19.000 0.064 0.000 1.010 115 A HN 1.739 nan 8.150 nan 0.000 0.493 116 I N -0.752 119.795 120.570 -0.038 0.000 3.428 116 I HA 0.085 4.255 4.170 -0.000 0.000 0.286 116 I C 0.039 175.995 176.117 -0.269 0.000 1.287 116 I CA 0.309 61.516 61.300 -0.155 0.000 1.396 116 I CB -0.287 37.590 38.000 -0.206 0.000 1.062 116 I HN 0.488 nan 8.210 nan 0.000 0.471 117 H N 2.587 121.661 119.070 0.007 0.000 2.519 117 H HA 0.786 5.342 4.556 -0.000 0.000 0.316 117 H C -0.547 174.782 175.328 0.002 0.000 1.065 117 H CA -0.309 55.742 56.048 0.005 0.000 1.264 117 H CB 1.695 31.460 29.762 0.006 0.000 1.413 117 H HN 0.390 nan 8.280 nan 0.000 0.465 118 A N 3.274 126.151 122.820 0.096 0.000 2.572 118 A HA 0.330 4.650 4.320 -0.000 0.000 0.295 118 A C -0.431 177.180 177.584 0.045 0.000 1.072 118 A CA -0.900 51.171 52.037 0.056 0.000 0.691 118 A CB 1.534 20.550 19.000 0.027 0.000 1.291 118 A HN 0.707 nan 8.150 nan 0.000 0.404 119 E N 1.135 121.355 120.200 0.034 0.000 2.415 119 E HA 0.347 4.697 4.350 -0.000 0.000 0.263 119 E C 0.552 177.164 176.600 0.020 0.000 0.995 119 E CA 0.190 56.606 56.400 0.026 0.000 0.915 119 E CB 0.817 30.530 29.700 0.022 0.000 0.951 119 E HN 0.790 nan 8.360 nan 0.000 0.449 120 A N 5.280 128.112 122.820 0.020 0.000 2.498 120 A HA 0.156 4.476 4.320 -0.000 0.000 0.239 120 A C -2.036 175.560 177.584 0.020 0.000 1.068 120 A CA -1.123 50.923 52.037 0.016 0.000 0.766 120 A CB -0.338 18.675 19.000 0.022 0.000 1.003 120 A HN 0.369 nan 8.150 nan 0.000 0.497 121 P HA 0.012 nan 4.420 nan 0.000 0.263 121 P C -0.046 177.274 177.300 0.034 0.000 1.175 121 P CA 0.413 63.520 63.100 0.013 0.000 0.761 121 P CB 0.383 32.083 31.700 -0.001 0.000 0.794 122 E N 1.837 122.059 120.200 0.037 0.000 2.392 122 E HA -0.009 4.341 4.350 -0.000 0.000 0.256 122 E C 0.896 177.555 176.600 0.098 0.000 1.145 122 E CA -0.285 56.160 56.400 0.075 0.000 0.929 122 E CB 0.159 29.899 29.700 0.067 0.000 0.998 122 E HN 0.388 nan 8.360 nan 0.000 0.442 123 F N 2.235 122.185 119.950 -0.000 0.000 2.147 123 F HA -0.276 4.251 4.527 -0.000 0.000 0.301 123 F C 1.918 177.716 175.800 -0.003 0.000 1.084 123 F CA 2.035 60.034 58.000 -0.001 0.000 1.268 123 F CB -0.365 38.635 39.000 -0.001 0.000 1.009 123 F HN 0.296 nan 8.300 nan 0.000 0.486 124 V N -2.075 117.811 119.914 -0.047 0.000 2.594 124 V HA -0.213 3.907 4.120 -0.000 0.000 0.253 124 V C 1.698 177.698 176.094 -0.156 0.000 1.069 124 V CA 2.037 64.258 62.300 -0.131 0.000 1.082 124 V CB -1.132 30.682 31.823 -0.015 0.000 0.680 124 V HN 0.418 nan 8.190 nan 0.000 0.469 125 E N -0.025 120.108 120.200 -0.111 0.000 2.502 125 E HA 0.128 4.478 4.350 -0.000 0.000 0.194 125 E C 0.648 177.180 176.600 -0.113 0.000 1.062 125 E CA -0.139 56.209 56.400 -0.088 0.000 0.867 125 E CB -0.025 29.648 29.700 -0.045 0.000 0.888 125 E HN 0.460 nan 8.360 nan 0.000 0.510 126 M N 0.850 120.338 119.600 -0.186 0.000 2.243 126 M HA 0.093 4.573 4.480 -0.000 0.000 0.341 126 M C 0.440 176.653 176.300 -0.146 0.000 1.130 126 M CA 0.167 55.365 55.300 -0.171 0.000 1.162 126 M CB 1.064 33.514 32.600 -0.250 0.000 1.497 126 M HN -0.138 nan 8.290 nan 0.000 0.456 127 S N 1.329 116.971 115.700 -0.095 0.000 2.593 127 S HA 0.645 5.114 4.470 -0.000 0.000 0.297 127 S C 0.256 174.819 174.600 -0.062 0.000 1.112 127 S CA -0.784 57.372 58.200 -0.074 0.000 1.043 127 S CB 1.110 64.280 63.200 -0.050 0.000 1.054 127 S HN 0.590 nan 8.310 nan 0.000 0.516 128 V N 0.292 120.175 119.914 -0.052 0.000 3.070 128 V HA 0.502 4.622 4.120 -0.000 0.000 0.345 128 V C -0.132 175.949 176.094 -0.022 0.000 1.403 128 V CA -0.559 61.721 62.300 -0.035 0.000 1.155 128 V CB -0.235 31.567 31.823 -0.035 0.000 1.140 128 V HN 0.737 nan 8.190 nan 0.000 0.505 129 E N 1.936 122.123 120.200 -0.021 0.000 2.299 129 E HA 0.321 4.671 4.350 -0.000 0.000 0.272 129 E C -0.622 175.975 176.600 -0.005 0.000 1.043 129 E CA 0.350 56.742 56.400 -0.014 0.000 0.895 129 E CB 1.288 30.980 29.700 -0.014 0.000 1.011 129 E HN 0.650 nan 8.360 nan 0.000 0.432 130 Q N 2.247 122.046 119.800 -0.002 0.000 2.357 130 Q HA 0.327 4.667 4.340 -0.000 0.000 0.266 130 Q C -0.685 175.321 176.000 0.009 0.000 1.021 130 Q CA -0.255 55.551 55.803 0.006 0.000 0.784 130 Q CB 1.787 30.527 28.738 0.003 0.000 1.243 130 Q HN 0.420 nan 8.270 nan 0.000 0.465 131 E N 3.177 123.388 120.200 0.018 0.000 2.275 131 E HA 0.325 4.675 4.350 -0.000 0.000 0.270 131 E C -1.209 175.415 176.600 0.039 0.000 0.882 131 E CA -0.727 55.687 56.400 0.024 0.000 0.758 131 E CB 1.718 31.430 29.700 0.021 0.000 1.195 131 E HN 0.605 nan 8.360 nan 0.000 0.419 132 I N 4.372 124.967 120.570 0.041 0.000 2.710 132 I HA -0.002 4.167 4.170 -0.000 0.000 0.286 132 I C -0.748 175.412 176.117 0.073 0.000 1.181 132 I CA 0.036 61.371 61.300 0.058 0.000 1.430 132 I CB 0.408 38.440 38.000 0.054 0.000 1.367 132 I HN 0.492 nan 8.210 nan 0.000 0.577 133 L N 9.033 130.315 121.223 0.099 0.000 2.313 133 L HA 0.378 4.718 4.340 -0.000 0.000 0.273 133 L C -0.740 176.185 176.870 0.091 0.000 1.028 133 L CA -0.369 54.536 54.840 0.110 0.000 0.871 133 L CB 1.065 43.215 42.059 0.152 0.000 1.242 133 L HN 0.307 nan 8.230 nan 0.000 0.434 134 V N 4.215 124.168 119.914 0.066 0.000 2.521 134 V HA 0.125 4.245 4.120 -0.000 0.000 0.286 134 V C 1.544 177.653 176.094 0.026 0.000 1.034 134 V CA 0.764 63.088 62.300 0.039 0.000 1.045 134 V CB 0.786 32.635 31.823 0.043 0.000 0.974 134 V HN 0.925 nan 8.190 nan 0.000 0.480 135 T N 0.278 114.819 114.554 -0.021 0.000 3.037 135 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 135 T C 1.506 176.183 174.700 -0.038 0.000 1.073 135 T CA 0.730 62.810 62.100 -0.032 0.000 1.091 135 T CB 0.356 69.155 68.868 -0.115 0.000 0.935 135 T HN 1.484 nan 8.240 nan 0.000 0.488 136 G N 1.614 110.397 108.800 -0.028 0.000 2.184 136 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.264 136 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.264 136 G C 0.011 174.900 174.900 -0.018 0.000 0.975 136 G CA 0.208 45.296 45.100 -0.020 0.000 0.642 136 G HN 0.667 nan 8.290 nan 0.000 0.536 137 I N 0.823 121.376 120.570 -0.027 0.000 2.307 137 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 137 I C 1.562 177.688 176.117 0.015 0.000 1.021 137 I CA -0.797 60.520 61.300 0.029 0.000 1.224 137 I CB 1.324 39.354 38.000 0.050 0.000 1.376 137 I HN -0.018 nan 8.210 nan 0.000 0.470 138 K N 3.582 124.001 120.400 0.032 0.000 2.020 138 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 138 K C 1.765 178.359 176.600 -0.010 0.000 1.050 138 K CA 1.504 57.807 56.287 0.027 0.000 0.929 138 K CB -0.173 32.345 32.500 0.031 0.000 0.714 138 K HN 0.519 nan 8.250 nan 0.000 0.443 139 V N 0.931 120.844 119.914 -0.002 0.000 2.332 139 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 139 V C 2.310 178.374 176.094 -0.049 0.000 1.055 139 V CA 1.559 63.835 62.300 -0.040 0.000 1.038 139 V CB -0.551 31.279 31.823 0.011 0.000 0.651 139 V HN 0.097 nan 8.190 nan 0.000 0.450 140 V N 0.268 120.150 119.914 -0.054 0.000 2.255 140 V HA -0.204 3.916 4.120 -0.000 0.000 0.243 140 V C 2.369 178.384 176.094 -0.133 0.000 1.038 140 V CA 2.208 64.422 62.300 -0.142 0.000 1.008 140 V CB -0.699 30.922 31.823 -0.337 0.000 0.645 140 V HN 0.492 nan 8.190 nan 0.000 0.449 141 D N -0.111 120.224 120.400 -0.109 0.000 2.133 141 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 141 D C 1.898 178.238 176.300 0.068 0.000 0.997 141 D CA 1.361 55.348 54.000 -0.023 0.000 0.840 141 D CB -0.245 40.545 40.800 -0.016 0.000 0.947 141 D HN 0.334 nan 8.370 nan 0.000 0.452 142 L N -0.113 121.094 121.223 -0.026 0.000 2.023 142 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 142 L C 2.096 179.005 176.870 0.065 0.000 1.073 142 L CA 1.398 56.197 54.840 -0.068 0.000 0.745 142 L CB -0.199 41.693 42.059 -0.277 0.000 0.900 142 L HN -0.015 nan 8.230 nan 0.000 0.435 143 L N -1.086 120.125 121.223 -0.021 0.000 2.298 143 L HA 0.290 4.630 4.340 -0.000 0.000 0.209 143 L C 0.744 177.631 176.870 0.028 0.000 1.084 143 L CA 0.525 55.352 54.840 -0.021 0.000 0.816 143 L CB -0.181 41.838 42.059 -0.066 0.000 0.967 143 L HN 0.280 nan 8.230 nan 0.000 0.460 144 A N 0.556 123.403 122.820 0.045 0.000 3.422 144 A HA 0.435 4.755 4.320 -0.000 0.000 0.271 144 A C -2.655 174.987 177.584 0.096 0.000 1.104 144 A CA -0.825 51.263 52.037 0.086 0.000 0.899 144 A CB -0.125 18.946 19.000 0.119 0.000 1.309 144 A HN -0.149 nan 8.150 nan 0.000 0.580 145 P HA 0.141 nan 4.420 nan 0.000 0.271 145 P C -0.576 176.848 177.300 0.208 0.000 1.218 145 P CA 0.360 63.486 63.100 0.044 0.000 0.780 145 P CB 0.465 32.196 31.700 0.053 0.000 0.901 146 Y N 0.148 120.483 120.300 0.058 0.000 2.301 146 Y HA 0.433 4.983 4.550 -0.000 0.000 0.328 146 Y C 1.097 177.017 175.900 0.034 0.000 1.242 146 Y CA -1.295 56.832 58.100 0.045 0.000 1.323 146 Y CB 1.026 39.514 38.460 0.046 0.000 1.266 146 Y HN 0.373 nan 8.280 nan 0.000 0.527 147 A N 2.969 125.897 122.820 0.181 0.000 2.330 147 A HA 0.405 4.725 4.320 -0.000 0.000 0.327 147 A C -0.802 176.823 177.584 0.068 0.000 1.155 147 A CA -1.082 51.014 52.037 0.098 0.000 0.803 147 A CB 0.638 19.674 19.000 0.060 0.000 1.208 147 A HN 0.774 nan 8.150 nan 0.000 0.477 148 K N 0.883 121.320 120.400 0.062 0.000 2.484 148 K HA 0.317 4.637 4.320 -0.000 0.000 0.280 148 K C 1.195 177.806 176.600 0.019 0.000 1.013 148 K CA 1.291 57.606 56.287 0.047 0.000 1.029 148 K CB 0.231 32.764 32.500 0.054 0.000 0.902 148 K HN 1.500 nan 8.250 nan 0.000 0.481 149 G N 1.948 110.747 108.800 -0.002 0.000 2.168 149 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 149 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 149 G C 0.465 175.345 174.900 -0.034 0.000 0.977 149 G CA 0.083 45.171 45.100 -0.020 0.000 0.659 149 G HN 0.863 nan 8.290 nan 0.000 0.533 150 G N -0.711 108.068 108.800 -0.036 0.000 2.502 150 G HA2 0.590 4.550 3.960 -0.000 0.000 0.305 150 G HA3 0.590 4.550 3.960 -0.000 0.000 0.305 150 G C -0.167 174.681 174.900 -0.087 0.000 1.190 150 G CA -0.722 44.353 45.100 -0.042 0.000 0.933 150 G HN 0.362 nan 8.290 nan 0.000 0.503 151 K N 0.209 120.563 120.400 -0.076 0.000 2.234 151 K HA 0.430 4.750 4.320 -0.000 0.000 0.277 151 K C -0.828 175.693 176.600 -0.132 0.000 1.038 151 K CA -0.131 56.093 56.287 -0.105 0.000 0.888 151 K CB 1.714 34.178 32.500 -0.059 0.000 1.091 151 K HN 0.258 nan 8.250 nan 0.000 0.467 152 I N 1.206 121.642 120.570 -0.223 0.000 2.474 152 I HA 0.404 4.574 4.170 -0.000 0.000 0.294 152 I C 0.264 176.234 176.117 -0.246 0.000 1.005 152 I CA -0.669 60.441 61.300 -0.315 0.000 1.113 152 I CB 2.238 39.852 38.000 -0.644 0.000 1.289 152 I HN 0.619 nan 8.210 nan 0.000 0.436 153 G N 6.203 114.898 108.800 -0.176 0.000 2.617 153 G HA2 0.729 4.689 3.960 -0.000 0.000 0.306 153 G HA3 0.729 4.689 3.960 -0.000 0.000 0.306 153 G C -1.176 173.627 174.900 -0.163 0.000 1.360 153 G CA -0.532 44.425 45.100 -0.239 0.000 0.983 153 G HN 0.440 nan 8.290 nan 0.000 0.496 154 L N 2.060 123.137 121.223 -0.243 0.000 2.324 154 L HA 0.455 4.795 4.340 -0.000 0.000 0.274 154 L C -0.914 175.859 176.870 -0.162 0.000 1.012 154 L CA -0.598 54.208 54.840 -0.057 0.000 0.859 154 L CB 1.010 43.086 42.059 0.028 0.000 1.224 154 L HN 0.327 nan 8.230 nan 0.000 0.429 155 F N 1.360 121.312 119.950 0.003 0.000 2.394 155 F HA 0.760 5.287 4.527 -0.000 0.000 0.340 155 F C 0.976 176.779 175.800 0.006 0.000 1.105 155 F CA -0.320 57.662 58.000 -0.030 0.000 1.124 155 F CB 1.973 40.943 39.000 -0.051 0.000 1.145 155 F HN 0.440 nan 8.300 nan 0.000 0.505 156 G N 0.914 109.797 108.800 0.139 0.000 2.655 156 G HA2 0.487 4.447 3.960 -0.000 0.000 0.296 156 G HA3 0.487 4.447 3.960 -0.000 0.000 0.296 156 G C -0.717 174.167 174.900 -0.026 0.000 1.485 156 G CA -0.441 44.708 45.100 0.082 0.000 0.869 156 G HN 0.923 nan 8.290 nan 0.000 0.540 157 G N -0.392 108.378 108.800 -0.051 0.000 2.611 157 G HA2 0.648 4.608 3.960 -0.000 0.000 0.273 157 G HA3 0.648 4.608 3.960 -0.000 0.000 0.273 157 G C 0.809 175.763 174.900 0.091 0.000 1.305 157 G CA 0.357 45.382 45.100 -0.125 0.000 1.010 157 G HN 1.714 nan 8.290 nan 0.000 0.509 158 A N -1.157 121.790 122.820 0.213 0.000 2.545 158 A HA 0.496 4.816 4.320 -0.000 0.000 0.253 158 A C 1.544 179.210 177.584 0.137 0.000 1.074 158 A CA 1.106 53.301 52.037 0.263 0.000 0.760 158 A CB -0.833 18.311 19.000 0.239 0.000 1.005 158 A HN 2.569 nan 8.150 nan 0.000 0.506 159 G N 1.036 109.907 108.800 0.118 0.000 2.221 159 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.265 159 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.265 159 G C 0.679 175.627 174.900 0.079 0.000 1.041 159 G CA 0.846 45.989 45.100 0.072 0.000 0.807 159 G HN 2.193 nan 8.290 nan 0.000 0.502 160 V N -3.893 116.082 119.914 0.101 0.000 3.471 160 V HA 0.667 4.787 4.120 -0.000 0.000 0.258 160 V C 1.665 177.854 176.094 0.158 0.000 1.192 160 V CA 1.355 63.731 62.300 0.126 0.000 1.116 160 V CB 0.457 32.340 31.823 0.099 0.000 0.792 160 V HN 2.114 nan 8.190 nan 0.000 0.459 161 G N 0.278 109.146 108.800 0.115 0.000 2.240 161 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.181 161 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.181 161 G C 0.521 175.499 174.900 0.130 0.000 1.028 161 G CA 0.149 45.311 45.100 0.103 0.000 0.760 161 G HN 0.385 nan 8.290 nan 0.000 0.508 162 K N -0.077 120.398 120.400 0.126 0.000 2.026 162 K HA -0.062 4.257 4.320 -0.000 0.000 0.208 162 K C 2.481 179.164 176.600 0.138 0.000 1.048 162 K CA 1.926 58.291 56.287 0.130 0.000 0.929 162 K CB -0.186 32.382 32.500 0.114 0.000 0.713 162 K HN 0.296 nan 8.250 nan 0.000 0.439 163 T N 1.012 115.643 114.554 0.128 0.000 2.812 163 T HA -0.069 4.281 4.350 -0.000 0.000 0.264 163 T C 2.075 176.858 174.700 0.140 0.000 1.042 163 T CA 0.903 63.087 62.100 0.141 0.000 1.140 163 T CB -0.149 68.797 68.868 0.130 0.000 0.870 163 T HN -0.075 nan 8.240 nan 0.000 0.445 164 V N 1.819 121.809 119.914 0.127 0.000 2.282 164 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 164 V C 2.426 178.667 176.094 0.245 0.000 1.057 164 V CA 1.503 63.902 62.300 0.166 0.000 1.032 164 V CB -0.700 31.186 31.823 0.106 0.000 0.645 164 V HN 0.316 nan 8.190 nan 0.000 0.447 165 L N -0.276 121.108 121.223 0.269 0.000 2.017 165 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 165 L C 2.159 179.136 176.870 0.179 0.000 1.073 165 L CA 1.811 56.838 54.840 0.312 0.000 0.745 165 L CB -0.604 41.644 42.059 0.316 0.000 0.894 165 L HN 0.255 nan 8.230 nan 0.000 0.432 166 I N -1.156 119.513 120.570 0.166 0.000 2.264 166 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 166 I C 2.081 178.229 176.117 0.052 0.000 1.111 166 I CA 1.155 62.545 61.300 0.150 0.000 1.382 166 I CB 0.037 38.151 38.000 0.190 0.000 1.060 166 I HN 0.318 nan 8.210 nan 0.000 0.418 167 M N -0.417 119.212 119.600 0.049 0.000 2.254 167 M HA -0.174 4.306 4.480 -0.000 0.000 0.265 167 M C 2.079 178.335 176.300 -0.072 0.000 1.066 167 M CA 1.390 56.675 55.300 -0.026 0.000 1.123 167 M CB -1.331 31.279 32.600 0.015 0.000 1.388 167 M HN 0.197 nan 8.290 nan 0.000 0.425 168 E N 0.946 121.099 120.200 -0.079 0.000 2.072 168 E HA -0.077 4.272 4.350 -0.000 0.000 0.191 168 E C 2.043 178.528 176.600 -0.190 0.000 0.985 168 E CA 1.046 57.300 56.400 -0.244 0.000 0.801 168 E CB -0.246 29.052 29.700 -0.671 0.000 0.750 168 E HN 0.468 nan 8.360 nan 0.000 0.452 169 L N 0.136 121.309 121.223 -0.083 0.000 2.046 169 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 169 L C 2.469 179.334 176.870 -0.008 0.000 1.077 169 L CA 1.123 55.983 54.840 0.032 0.000 0.747 169 L CB -0.416 41.767 42.059 0.206 0.000 0.896 169 L HN 0.229 nan 8.230 nan 0.000 0.432 170 I N -0.063 120.385 120.570 -0.203 0.000 2.208 170 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 170 I C 2.302 178.327 176.117 -0.152 0.000 1.097 170 I CA 1.607 62.686 61.300 -0.369 0.000 1.363 170 I CB -0.415 37.256 38.000 -0.549 0.000 1.051 170 I HN 0.351 nan 8.210 nan 0.000 0.413 171 N N 1.047 119.672 118.700 -0.125 0.000 2.188 171 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 171 N C 1.551 177.028 175.510 -0.054 0.000 1.018 171 N CA 1.519 54.519 53.050 -0.083 0.000 0.858 171 N CB -0.033 38.400 38.487 -0.089 0.000 0.989 171 N HN 0.189 nan 8.380 nan 0.000 0.426 172 N N -1.020 117.646 118.700 -0.058 0.000 2.376 172 N HA 0.030 4.769 4.740 -0.000 0.000 0.177 172 N C 1.195 176.717 175.510 0.020 0.000 1.024 172 N CA 0.414 53.443 53.050 -0.035 0.000 0.893 172 N CB 0.183 38.626 38.487 -0.073 0.000 0.980 172 N HN 0.087 nan 8.380 nan 0.000 0.439 173 V N -0.068 119.882 119.914 0.060 0.000 3.048 173 V HA 0.252 4.372 4.120 -0.000 0.000 0.241 173 V C 1.906 178.086 176.094 0.143 0.000 1.129 173 V CA 0.912 63.282 62.300 0.116 0.000 1.128 173 V CB -0.048 31.879 31.823 0.173 0.000 0.849 173 V HN 0.175 nan 8.190 nan 0.000 0.475 174 A N 0.296 123.194 122.820 0.131 0.000 1.933 174 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 174 A C 2.136 179.803 177.584 0.137 0.000 1.175 174 A CA 2.009 54.135 52.037 0.148 0.000 0.628 174 A CB -0.352 18.706 19.000 0.098 0.000 0.814 174 A HN 0.543 nan 8.150 nan 0.000 0.444 175 K N -0.208 120.241 120.400 0.082 0.000 2.009 175 K HA -0.094 4.226 4.320 -0.000 0.000 0.210 175 K C 2.325 178.964 176.600 0.065 0.000 1.049 175 K CA 1.327 57.649 56.287 0.059 0.000 0.929 175 K CB -0.393 32.124 32.500 0.030 0.000 0.714 175 K HN 0.418 nan 8.250 nan 0.000 0.440 176 A N 1.314 124.178 122.820 0.073 0.000 1.933 176 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 176 A C 0.985 178.614 177.584 0.075 0.000 1.175 176 A CA 0.902 52.976 52.037 0.063 0.000 0.628 176 A CB -0.768 18.270 19.000 0.063 0.000 0.814 176 A HN 0.444 nan 8.150 nan 0.000 0.444 177 H N -0.641 118.443 119.070 0.022 0.000 2.848 177 H HA 0.390 4.946 4.556 -0.000 0.000 0.341 177 H C 0.906 176.224 175.328 -0.017 0.000 1.060 177 H CA 0.543 56.596 56.048 0.009 0.000 1.444 177 H CB 0.760 30.542 29.762 0.034 0.000 1.446 177 H HN 0.072 nan 8.280 nan 0.000 0.583 178 G N 3.316 111.802 108.800 -0.523 0.000 4.294 178 G HA2 0.478 4.438 3.960 -0.000 0.000 0.301 178 G HA3 0.478 4.438 3.960 -0.000 0.000 0.301 178 G C 0.227 174.876 174.900 -0.418 0.000 1.321 178 G CA 0.249 45.146 45.100 -0.339 0.000 1.190 178 G HN 0.898 nan 8.290 nan 0.000 0.600 179 G N -0.551 108.045 108.800 -0.339 0.000 2.933 179 G HA2 0.512 4.472 3.960 -0.000 0.000 0.203 179 G HA3 0.512 4.472 3.960 -0.000 0.000 0.203 179 G C -1.441 173.399 174.900 -0.100 0.000 1.170 179 G CA -0.847 44.063 45.100 -0.317 0.000 0.880 179 G HN 0.142 nan 8.290 nan 0.000 0.573 180 Y N 0.115 120.435 120.300 0.034 0.000 2.420 180 Y HA 0.662 5.212 4.550 -0.000 0.000 0.334 180 Y C 0.487 176.338 175.900 -0.082 0.000 1.094 180 Y CA -0.743 57.261 58.100 -0.160 0.000 1.126 180 Y CB 2.393 40.471 38.460 -0.635 0.000 1.217 180 Y HN 0.324 nan 8.280 nan 0.000 0.462 181 S N 1.292 117.079 115.700 0.144 0.000 2.568 181 S HA 0.708 5.178 4.470 -0.000 0.000 0.302 181 S C -1.078 173.636 174.600 0.190 0.000 1.082 181 S CA -0.779 57.523 58.200 0.170 0.000 1.009 181 S CB 1.887 65.251 63.200 0.273 0.000 1.069 181 S HN 0.333 nan 8.310 nan 0.000 0.500 182 V N 2.610 122.657 119.914 0.221 0.000 2.588 182 V HA 0.511 4.631 4.120 -0.000 0.000 0.304 182 V C -1.242 175.010 176.094 0.263 0.000 1.042 182 V CA -0.691 61.740 62.300 0.218 0.000 0.877 182 V CB 1.405 33.325 31.823 0.162 0.000 0.996 182 V HN 0.849 nan 8.190 nan 0.000 0.425 183 F N 3.864 123.876 119.950 0.103 0.000 2.426 183 F HA 0.793 5.320 4.527 -0.000 0.000 0.348 183 F C 0.299 176.024 175.800 -0.126 0.000 1.124 183 F CA -0.478 57.553 58.000 0.051 0.000 1.008 183 F CB 1.229 40.251 39.000 0.036 0.000 1.139 183 F HN 0.587 nan 8.300 nan 0.000 0.452 184 A N 4.562 127.093 122.820 -0.481 0.000 2.258 184 A HA 0.638 4.958 4.320 -0.000 0.000 0.316 184 A C -0.004 177.233 177.584 -0.578 0.000 1.279 184 A CA -0.350 51.433 52.037 -0.424 0.000 0.876 184 A CB 0.329 19.157 19.000 -0.287 0.000 1.170 184 A HN 1.003 nan 8.150 nan 0.000 0.520 185 G N 1.242 109.711 108.800 -0.551 0.000 2.350 185 G HA2 0.503 4.463 3.960 -0.000 0.000 0.306 185 G HA3 0.503 4.463 3.960 -0.000 0.000 0.306 185 G C -0.661 174.190 174.900 -0.082 0.000 1.094 185 G CA -0.180 44.774 45.100 -0.244 0.000 0.953 185 G HN 0.744 nan 8.290 nan 0.000 0.420 186 V N 2.683 122.579 119.914 -0.031 0.000 2.326 186 V HA 0.604 4.724 4.120 -0.000 0.000 0.281 186 V C 1.063 177.190 176.094 0.054 0.000 1.015 186 V CA 0.227 62.532 62.300 0.007 0.000 0.823 186 V CB 0.744 32.558 31.823 -0.016 0.000 1.009 186 V HN 1.393 nan 8.190 nan 0.000 0.436 187 G N 3.247 112.089 108.800 0.069 0.000 2.198 187 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 187 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 187 G C 0.139 175.085 174.900 0.077 0.000 1.025 187 G CA 0.423 45.561 45.100 0.064 0.000 0.769 187 G HN 0.575 nan 8.290 nan 0.000 0.507 188 E N -0.738 119.530 120.200 0.114 0.000 2.672 188 E HA 0.471 4.821 4.350 -0.000 0.000 0.235 188 E C 0.833 177.507 176.600 0.123 0.000 0.906 188 E CA -0.976 55.496 56.400 0.121 0.000 0.973 188 E CB 0.566 30.359 29.700 0.155 0.000 1.478 188 E HN 0.354 nan 8.360 nan 0.000 0.430 189 R N 0.298 120.869 120.500 0.118 0.000 2.389 189 R HA 0.178 4.518 4.340 -0.000 0.000 0.295 189 R C 1.127 177.475 176.300 0.080 0.000 1.075 189 R CA 0.098 56.249 56.100 0.085 0.000 1.005 189 R CB 0.383 30.727 30.300 0.073 0.000 0.987 189 R HN 0.415 nan 8.270 nan 0.000 0.452 190 T N 2.966 117.544 114.554 0.041 0.000 2.788 190 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 190 T C 1.695 176.369 174.700 -0.043 0.000 1.044 190 T CA 1.696 63.788 62.100 -0.013 0.000 1.139 190 T CB -0.074 68.783 68.868 -0.018 0.000 0.867 190 T HN 0.600 nan 8.240 nan 0.000 0.454 191 R N 1.834 122.331 120.500 -0.004 0.000 2.189 191 R HA 0.035 4.375 4.340 -0.000 0.000 0.223 191 R C 1.861 178.166 176.300 0.008 0.000 1.092 191 R CA 1.457 57.559 56.100 0.002 0.000 0.989 191 R CB -0.491 29.820 30.300 0.018 0.000 0.876 191 R HN 0.382 nan 8.270 nan 0.000 0.457 192 E N 0.416 120.632 120.200 0.027 0.000 2.152 192 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 192 E C 2.089 178.686 176.600 -0.005 0.000 0.983 192 E CA 0.988 57.414 56.400 0.043 0.000 0.818 192 E CB -0.170 29.591 29.700 0.102 0.000 0.758 192 E HN 0.644 nan 8.360 nan 0.000 0.467 193 G N 1.316 110.066 108.800 -0.082 0.000 2.418 193 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.217 193 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.217 193 G C 1.424 176.148 174.900 -0.292 0.000 1.158 193 G CA 1.098 45.950 45.100 -0.415 0.000 0.771 193 G HN 0.206 nan 8.290 nan 0.000 0.545 194 N N 0.463 119.072 118.700 -0.152 0.000 2.142 194 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 194 N C 1.740 177.321 175.510 0.119 0.000 1.023 194 N CA 1.559 54.616 53.050 0.011 0.000 0.852 194 N CB -0.085 38.443 38.487 0.069 0.000 0.998 194 N HN 0.121 nan 8.380 nan 0.000 0.424 195 D N 0.523 120.958 120.400 0.058 0.000 2.092 195 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 195 D C 2.004 178.319 176.300 0.025 0.000 0.994 195 D CA 0.773 54.806 54.000 0.055 0.000 0.828 195 D CB -0.539 40.276 40.800 0.026 0.000 0.963 195 D HN 0.341 nan 8.370 nan 0.000 0.450 196 L N -0.322 120.884 121.223 -0.029 0.000 2.012 196 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 196 L C 2.494 179.342 176.870 -0.036 0.000 1.073 196 L CA 1.414 56.205 54.840 -0.081 0.000 0.748 196 L CB -0.357 41.583 42.059 -0.199 0.000 0.891 196 L HN -0.005 nan 8.230 nan 0.000 0.431 197 Y N 0.299 120.490 120.300 -0.182 0.000 2.081 197 Y HA -0.351 4.199 4.550 -0.000 0.000 0.280 197 Y C 2.730 178.489 175.900 -0.235 0.000 1.163 197 Y CA 2.274 60.233 58.100 -0.235 0.000 1.135 197 Y CB -0.605 37.638 38.460 -0.363 0.000 0.970 197 Y HN 0.344 nan 8.280 nan 0.000 0.498 198 H N -0.184 118.805 119.070 -0.134 0.000 2.428 198 H HA -0.070 4.486 4.556 -0.000 0.000 0.296 198 H C 2.098 177.327 175.328 -0.164 0.000 1.062 198 H CA 1.559 57.478 56.048 -0.215 0.000 1.350 198 H CB -0.096 29.604 29.762 -0.104 0.000 1.403 198 H HN 0.571 nan 8.280 nan 0.000 0.533 199 E N 0.331 120.525 120.200 -0.011 0.000 2.110 199 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 199 E C 2.167 178.724 176.600 -0.072 0.000 0.988 199 E CA 0.688 57.065 56.400 -0.039 0.000 0.804 199 E CB 0.037 29.714 29.700 -0.037 0.000 0.745 199 E HN 0.402 nan 8.360 nan 0.000 0.458 200 M N 0.138 119.677 119.600 -0.102 0.000 2.254 200 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 200 M C 2.237 178.464 176.300 -0.123 0.000 1.066 200 M CA 1.093 56.334 55.300 -0.099 0.000 1.123 200 M CB -0.143 32.409 32.600 -0.080 0.000 1.388 200 M HN 0.122 nan 8.290 nan 0.000 0.425 201 I N -0.058 120.390 120.570 -0.203 0.000 2.226 201 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 201 I C 2.442 178.498 176.117 -0.102 0.000 1.100 201 I CA 1.226 62.412 61.300 -0.190 0.000 1.374 201 I CB -0.321 37.506 38.000 -0.288 0.000 1.057 201 I HN 0.256 nan 8.210 nan 0.000 0.413 202 E N 1.111 121.262 120.200 -0.081 0.000 2.051 202 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 202 E C 2.278 178.850 176.600 -0.045 0.000 0.991 202 E CA 1.970 58.338 56.400 -0.053 0.000 0.799 202 E CB -0.128 29.547 29.700 -0.042 0.000 0.748 202 E HN 0.470 nan 8.360 nan 0.000 0.449 203 S N -1.617 114.055 115.700 -0.047 0.000 2.428 203 S HA 0.061 4.531 4.470 -0.000 0.000 0.230 203 S C 1.770 176.351 174.600 -0.031 0.000 1.014 203 S CA 1.011 59.190 58.200 -0.036 0.000 0.957 203 S CB -0.041 63.137 63.200 -0.037 0.000 0.784 203 S HN 0.575 nan 8.310 nan 0.000 0.499 204 G N 0.248 109.025 108.800 -0.038 0.000 2.176 204 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.232 204 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.232 204 G C 0.892 175.781 174.900 -0.018 0.000 0.986 204 G CA 0.483 45.566 45.100 -0.028 0.000 0.643 204 G HN 1.413 nan 8.290 nan 0.000 0.522 205 V N -1.255 118.648 119.914 -0.018 0.000 2.626 205 V HA 0.377 4.497 4.120 -0.000 0.000 0.252 205 V C 1.390 177.486 176.094 0.004 0.000 1.067 205 V CA 1.388 63.689 62.300 0.001 0.000 1.081 205 V CB -0.233 31.593 31.823 0.005 0.000 0.686 205 V HN 0.459 nan 8.190 nan 0.000 0.468 206 I N 2.171 122.728 120.570 -0.022 0.000 2.359 206 I HA 0.409 4.579 4.170 -0.000 0.000 0.294 206 I C -0.298 175.797 176.117 -0.037 0.000 0.987 206 I CA -0.154 61.133 61.300 -0.022 0.000 1.225 206 I CB 1.321 39.293 38.000 -0.046 0.000 1.366 206 I HN 0.209 nan 8.210 nan 0.000 0.466 207 N N 6.525 125.216 118.700 -0.015 0.000 2.342 207 N HA 0.363 5.103 4.740 -0.000 0.000 0.293 207 N C 0.088 175.593 175.510 -0.008 0.000 1.026 207 N CA -0.442 52.599 53.050 -0.016 0.000 0.857 207 N CB 2.106 40.591 38.487 -0.003 0.000 1.256 207 N HN 0.571 nan 8.380 nan 0.000 0.484 208 L N 2.214 123.428 121.223 -0.015 0.000 2.567 208 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 208 L C 1.779 178.654 176.870 0.008 0.000 1.119 208 L CA 0.308 55.149 54.840 0.002 0.000 0.871 208 L CB 0.084 42.140 42.059 -0.005 0.000 1.036 208 L HN 0.367 nan 8.230 nan 0.000 0.459 209 K N -0.369 120.033 120.400 0.003 0.000 2.214 209 K HA 0.174 4.494 4.320 -0.000 0.000 0.210 209 K C 0.334 176.939 176.600 0.008 0.000 1.036 209 K CA 0.488 56.778 56.287 0.005 0.000 0.958 209 K CB 0.214 32.715 32.500 0.002 0.000 0.973 209 K HN 0.088 nan 8.250 nan 0.000 0.466 210 D N 0.067 120.471 120.400 0.008 0.000 2.466 210 D HA 0.226 4.865 4.640 -0.000 0.000 0.262 210 D C 0.003 176.311 176.300 0.013 0.000 1.177 210 D CA -0.199 53.807 54.000 0.011 0.000 1.035 210 D CB 0.999 41.806 40.800 0.011 0.000 1.105 210 D HN 0.052 nan 8.370 nan 0.000 0.551 211 A N -0.103 122.727 122.820 0.016 0.000 2.503 211 A HA 0.102 4.422 4.320 -0.000 0.000 0.263 211 A C 1.187 178.786 177.584 0.026 0.000 1.360 211 A CA 0.018 52.066 52.037 0.018 0.000 0.969 211 A CB -0.891 18.121 19.000 0.020 0.000 1.000 211 A HN 0.485 nan 8.150 nan 0.000 0.530 212 T N -3.221 111.349 114.554 0.027 0.000 3.086 212 T HA 0.152 4.502 4.350 -0.000 0.000 0.250 212 T C 0.683 175.409 174.700 0.042 0.000 1.074 212 T CA 0.216 62.340 62.100 0.039 0.000 0.988 212 T CB -0.292 68.594 68.868 0.030 0.000 0.988 212 T HN 0.186 nan 8.240 nan 0.000 0.530 213 S N 2.323 118.038 115.700 0.025 0.000 2.549 213 S HA 0.205 4.675 4.470 -0.000 0.000 0.286 213 S C 0.892 175.511 174.600 0.032 0.000 1.314 213 S CA -0.477 57.737 58.200 0.023 0.000 1.062 213 S CB 0.620 63.830 63.200 0.016 0.000 0.865 213 S HN 0.276 nan 8.310 nan 0.000 0.498 214 K N 1.258 121.695 120.400 0.062 0.000 2.387 214 K HA 0.273 4.593 4.320 -0.000 0.000 0.203 214 K C -0.617 176.041 176.600 0.096 0.000 1.030 214 K CA 0.167 56.530 56.287 0.127 0.000 1.099 214 K CB 0.610 33.201 32.500 0.151 0.000 0.863 214 K HN 0.391 nan 8.250 nan 0.000 0.529 215 V N 0.823 120.774 119.914 0.061 0.000 2.686 215 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 215 V C -0.718 175.436 176.094 0.101 0.000 1.065 215 V CA -1.477 60.881 62.300 0.096 0.000 0.894 215 V CB 1.828 33.719 31.823 0.113 0.000 1.004 215 V HN 0.109 nan 8.190 nan 0.000 0.424 216 A N 5.572 128.475 122.820 0.139 0.000 2.292 216 A HA 0.892 5.212 4.320 -0.000 0.000 0.319 216 A C -0.757 176.929 177.584 0.171 0.000 1.206 216 A CA -0.470 51.659 52.037 0.154 0.000 0.835 216 A CB 0.614 19.741 19.000 0.211 0.000 1.164 216 A HN 0.815 nan 8.150 nan 0.000 0.505 217 L N 2.763 124.082 121.223 0.160 0.000 2.317 217 L HA 0.652 4.992 4.340 -0.000 0.000 0.281 217 L C -0.874 176.076 176.870 0.134 0.000 1.024 217 L CA -0.878 54.079 54.840 0.195 0.000 0.810 217 L CB 1.783 44.015 42.059 0.289 0.000 1.240 217 L HN 0.407 nan 8.230 nan 0.000 0.427 218 V N 2.998 122.938 119.914 0.043 0.000 2.577 218 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 218 V C -1.296 174.725 176.094 -0.123 0.000 1.042 218 V CA -0.641 61.662 62.300 0.005 0.000 0.872 218 V CB 1.873 33.677 31.823 -0.030 0.000 0.998 218 V HN 0.457 nan 8.190 nan 0.000 0.423 219 Y N 1.637 121.961 120.300 0.041 0.000 2.406 219 Y HA 0.750 5.300 4.550 -0.000 0.000 0.340 219 Y C 0.504 176.420 175.900 0.027 0.000 0.975 219 Y CA -0.597 57.532 58.100 0.049 0.000 1.056 219 Y CB 2.820 41.301 38.460 0.034 0.000 1.210 219 Y HN 0.722 nan 8.280 nan 0.000 0.448 220 G N 4.023 112.926 108.800 0.171 0.000 2.975 220 G HA2 0.359 4.319 3.960 -0.000 0.000 0.299 220 G HA3 0.359 4.319 3.960 -0.000 0.000 0.299 220 G C -1.114 173.856 174.900 0.117 0.000 1.587 220 G CA -0.544 44.625 45.100 0.114 0.000 1.052 220 G HN 0.322 nan 8.290 nan 0.000 0.545 221 Q N 1.300 121.180 119.800 0.133 0.000 2.173 221 Q HA 0.310 4.650 4.340 -0.000 0.000 0.186 221 Q C 1.991 178.035 176.000 0.074 0.000 1.018 221 Q CA -0.836 55.043 55.803 0.127 0.000 1.064 221 Q CB 0.835 29.661 28.738 0.146 0.000 1.130 221 Q HN 0.734 nan 8.270 nan 0.000 0.553 222 M N -1.028 118.610 119.600 0.064 0.000 2.686 222 M HA -0.019 4.461 4.480 -0.000 0.000 0.246 222 M C 0.722 177.039 176.300 0.029 0.000 1.096 222 M CA 1.502 56.826 55.300 0.040 0.000 1.076 222 M CB -0.731 31.889 32.600 0.034 0.000 1.504 222 M HN 0.536 nan 8.290 nan 0.000 0.524 223 N N -0.083 118.636 118.700 0.031 0.000 2.446 223 N HA 0.015 4.755 4.740 -0.000 0.000 0.179 223 N C -0.106 175.415 175.510 0.019 0.000 1.054 223 N CA -0.055 53.008 53.050 0.022 0.000 0.905 223 N CB 0.061 38.559 38.487 0.019 0.000 0.973 223 N HN 0.338 nan 8.380 nan 0.000 0.448 224 E N 1.945 122.159 120.200 0.023 0.000 2.343 224 E HA 0.228 4.578 4.350 -0.000 0.000 0.269 224 E C -2.135 174.471 176.600 0.010 0.000 1.047 224 E CA -2.024 54.387 56.400 0.019 0.000 0.874 224 E CB 0.821 30.538 29.700 0.027 0.000 1.033 224 E HN 0.230 nan 8.360 nan 0.000 0.409 225 P HA 0.092 nan 4.420 nan 0.000 0.274 225 P C -2.021 175.275 177.300 -0.007 0.000 1.246 225 P CA -1.200 61.900 63.100 -0.001 0.000 0.795 225 P CB 0.310 32.010 31.700 0.000 0.000 1.006 226 P HA -0.163 nan 4.420 nan 0.000 0.218 226 P C 1.690 178.968 177.300 -0.037 0.000 1.148 226 P CA 1.817 64.896 63.100 -0.035 0.000 0.822 226 P CB -0.685 30.989 31.700 -0.043 0.000 0.784 227 G N 0.638 109.425 108.800 -0.021 0.000 2.440 227 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 227 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 227 G C 1.810 176.709 174.900 -0.001 0.000 1.154 227 G CA 1.186 46.278 45.100 -0.012 0.000 0.767 227 G HN 0.379 nan 8.290 nan 0.000 0.552 228 A N 0.601 123.424 122.820 0.004 0.000 1.898 228 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 228 A C 2.433 180.026 177.584 0.016 0.000 1.181 228 A CA 1.514 53.559 52.037 0.014 0.000 0.620 228 A CB -0.364 18.647 19.000 0.018 0.000 0.819 228 A HN 0.339 nan 8.150 nan 0.000 0.442 229 R N -0.617 119.886 120.500 0.005 0.000 2.115 229 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 229 R C 2.329 178.634 176.300 0.007 0.000 1.111 229 R CA 1.052 57.156 56.100 0.006 0.000 0.976 229 R CB -0.328 29.965 30.300 -0.011 0.000 0.870 229 R HN 0.525 nan 8.270 nan 0.000 0.445 230 A N 0.658 123.457 122.820 -0.034 0.000 1.930 230 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 230 A C 1.868 179.504 177.584 0.087 0.000 1.176 230 A CA 0.854 52.840 52.037 -0.084 0.000 0.632 230 A CB 0.023 18.915 19.000 -0.181 0.000 0.819 230 A HN 0.045 nan 8.150 nan 0.000 0.445 231 R N -0.893 119.645 120.500 0.063 0.000 2.223 231 R HA 0.089 4.429 4.340 -0.000 0.000 0.198 231 R C 1.891 178.211 176.300 0.032 0.000 0.984 231 R CA 0.925 57.063 56.100 0.064 0.000 1.018 231 R CB -1.320 29.000 30.300 0.034 0.000 0.945 231 R HN 0.390 nan 8.270 nan 0.000 0.479 232 V N 1.364 121.298 119.914 0.034 0.000 2.515 232 V HA -0.145 3.974 4.120 -0.000 0.000 0.250 232 V C 2.105 178.179 176.094 -0.033 0.000 1.058 232 V CA 1.835 64.135 62.300 -0.000 0.000 1.064 232 V CB -0.406 31.423 31.823 0.009 0.000 0.675 232 V HN 0.290 nan 8.190 nan 0.000 0.461 233 A N -0.082 122.726 122.820 -0.021 0.000 1.940 233 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 233 A C 2.109 179.616 177.584 -0.128 0.000 1.176 233 A CA 2.022 53.998 52.037 -0.101 0.000 0.631 233 A CB -0.509 18.400 19.000 -0.151 0.000 0.814 233 A HN 0.593 nan 8.150 nan 0.000 0.446 234 L N -0.764 120.400 121.223 -0.100 0.000 2.083 234 L HA -0.156 4.183 4.340 -0.000 0.000 0.209 234 L C 2.727 179.523 176.870 -0.124 0.000 1.083 234 L CA 1.784 56.543 54.840 -0.135 0.000 0.752 234 L CB -1.487 40.462 42.059 -0.184 0.000 0.899 234 L HN 0.347 nan 8.230 nan 0.000 0.433 235 T N 0.131 114.627 114.554 -0.097 0.000 2.684 235 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 235 T C 1.896 176.553 174.700 -0.071 0.000 1.036 235 T CA 1.539 63.594 62.100 -0.075 0.000 1.148 235 T CB -0.642 68.197 68.868 -0.047 0.000 0.863 235 T HN 0.564 nan 8.240 nan 0.000 0.436 236 G N 1.450 110.203 108.800 -0.080 0.000 2.402 236 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.216 236 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.216 236 G C 1.536 176.394 174.900 -0.070 0.000 1.162 236 G CA 0.814 45.870 45.100 -0.074 0.000 0.777 236 G HN 0.464 nan 8.290 nan 0.000 0.539 237 L N 0.941 122.107 121.223 -0.096 0.000 2.131 237 L HA 0.051 4.391 4.340 -0.000 0.000 0.210 237 L C 2.591 179.422 176.870 -0.065 0.000 1.092 237 L CA 2.537 57.322 54.840 -0.092 0.000 0.759 237 L CB -0.993 40.990 42.059 -0.126 0.000 0.903 237 L HN 0.121 nan 8.230 nan 0.000 0.435 238 T N -0.867 113.644 114.554 -0.071 0.000 2.821 238 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 238 T C 1.970 176.632 174.700 -0.064 0.000 1.046 238 T CA 1.546 63.610 62.100 -0.060 0.000 1.139 238 T CB -0.307 68.521 68.868 -0.068 0.000 0.871 238 T HN 0.232 nan 8.240 nan 0.000 0.454 239 V N 1.819 121.685 119.914 -0.079 0.000 2.295 239 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 239 V C 2.903 178.946 176.094 -0.084 0.000 1.049 239 V CA 1.719 63.939 62.300 -0.132 0.000 1.024 239 V CB -1.215 30.567 31.823 -0.069 0.000 0.648 239 V HN 0.516 nan 8.190 nan 0.000 0.447 240 A N -0.508 122.341 122.820 0.049 0.000 1.933 240 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 240 A C 2.179 179.827 177.584 0.107 0.000 1.175 240 A CA 1.879 54.008 52.037 0.154 0.000 0.628 240 A CB -0.481 18.563 19.000 0.074 0.000 0.814 240 A HN 0.623 nan 8.150 nan 0.000 0.444 241 E N -1.715 118.502 120.200 0.028 0.000 2.077 241 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 241 E C 1.823 178.431 176.600 0.015 0.000 0.989 241 E CA 1.466 57.875 56.400 0.015 0.000 0.800 241 E CB -0.303 29.394 29.700 -0.005 0.000 0.746 241 E HN 0.803 nan 8.360 nan 0.000 0.452 242 Y N 0.302 120.518 120.300 -0.140 0.000 2.145 242 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 242 Y C 1.814 177.649 175.900 -0.108 0.000 1.145 242 Y CA 1.706 59.691 58.100 -0.192 0.000 1.148 242 Y CB -0.333 37.907 38.460 -0.366 0.000 0.981 242 Y HN -0.012 nan 8.280 nan 0.000 0.507 243 F N -0.092 119.964 119.950 0.177 0.000 2.171 243 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 243 F C 2.770 178.584 175.800 0.023 0.000 1.090 243 F CA 1.398 59.482 58.000 0.141 0.000 1.293 243 F CB -0.384 38.764 39.000 0.246 0.000 1.013 243 F HN -0.047 nan 8.300 nan 0.000 0.486 244 R N 0.617 121.223 120.500 0.177 0.000 2.081 244 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 244 R C 1.448 177.743 176.300 -0.007 0.000 1.131 244 R CA 2.138 58.281 56.100 0.071 0.000 0.960 244 R CB -0.258 30.067 30.300 0.042 0.000 0.856 244 R HN 0.219 nan 8.270 nan 0.000 0.436 245 D N 0.017 120.373 120.400 -0.075 0.000 2.290 245 D HA -0.038 4.602 4.640 -0.000 0.000 0.224 245 D C 0.409 176.594 176.300 -0.191 0.000 0.967 245 D CA 0.718 54.647 54.000 -0.117 0.000 0.893 245 D CB -0.009 40.725 40.800 -0.110 0.000 1.037 245 D HN 0.225 nan 8.370 nan 0.000 0.477 246 Q N 0.884 120.443 119.800 -0.401 0.000 2.844 246 Q HA 0.206 4.546 4.340 -0.000 0.000 0.235 246 Q C -0.233 175.591 176.000 -0.294 0.000 1.336 246 Q CA 0.319 55.836 55.803 -0.477 0.000 1.026 246 Q CB 0.827 28.986 28.738 -0.966 0.000 1.513 246 Q HN 0.309 nan 8.270 nan 0.000 0.577 247 E N -0.690 119.440 120.200 -0.116 0.000 1.111 247 E HA -0.051 4.299 4.350 -0.000 0.000 0.206 247 E C 0.343 176.933 176.600 -0.017 0.000 1.028 247 E CA 0.259 56.651 56.400 -0.013 0.000 0.885 247 E CB -0.504 29.247 29.700 0.084 0.000 4.892 247 E HN 0.663 nan 8.360 nan 0.000 0.590 248 G N 1.908 110.689 108.800 -0.031 0.000 2.225 248 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 248 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 248 G C -0.059 174.835 174.900 -0.011 0.000 1.060 248 G CA 1.004 46.089 45.100 -0.025 0.000 0.833 248 G HN 0.037 nan 8.290 nan 0.000 0.498 249 Q N -0.510 119.298 119.800 0.013 0.000 2.418 249 Q HA 0.460 4.800 4.340 -0.000 0.000 0.276 249 Q C -0.705 175.316 176.000 0.035 0.000 1.081 249 Q CA -0.736 55.073 55.803 0.010 0.000 0.864 249 Q CB 1.051 29.790 28.738 0.001 0.000 1.384 249 Q HN 0.275 nan 8.270 nan 0.000 0.467 250 D N 0.840 121.253 120.400 0.022 0.000 2.339 250 D HA 0.297 4.937 4.640 -0.000 0.000 0.241 250 D C -0.628 175.798 176.300 0.209 0.000 1.183 250 D CA 0.031 54.099 54.000 0.113 0.000 0.859 250 D CB 0.745 41.607 40.800 0.103 0.000 1.067 250 D HN 0.030 nan 8.370 nan 0.000 0.484 251 V N 2.813 122.803 119.914 0.127 0.000 2.581 251 V HA 0.423 4.543 4.120 -0.000 0.000 0.303 251 V C 0.305 176.320 176.094 -0.132 0.000 1.041 251 V CA -0.987 61.351 62.300 0.063 0.000 0.907 251 V CB 1.768 33.665 31.823 0.124 0.000 0.994 251 V HN 0.334 nan 8.190 nan 0.000 0.442 252 L N 4.497 125.567 121.223 -0.255 0.000 2.295 252 L HA 0.592 4.932 4.340 -0.000 0.000 0.285 252 L C -0.783 175.891 176.870 -0.326 0.000 1.035 252 L CA -0.552 54.047 54.840 -0.401 0.000 0.806 252 L CB 1.612 43.435 42.059 -0.392 0.000 1.214 252 L HN 0.460 nan 8.230 nan 0.000 0.426 253 L N 3.872 124.784 121.223 -0.517 0.000 2.376 253 L HA 0.591 4.931 4.340 -0.000 0.000 0.275 253 L C -1.377 175.122 176.870 -0.618 0.000 0.987 253 L CA 0.055 54.668 54.840 -0.377 0.000 0.828 253 L CB 1.268 43.188 42.059 -0.232 0.000 1.249 253 L HN 0.206 nan 8.230 nan 0.000 0.409 254 F N 5.875 125.719 119.950 -0.177 0.000 2.482 254 F HA 0.663 5.190 4.527 -0.000 0.000 0.331 254 F C -0.084 175.370 175.800 -0.578 0.000 1.115 254 F CA -0.543 57.286 58.000 -0.284 0.000 0.955 254 F CB 1.631 40.558 39.000 -0.122 0.000 1.136 254 F HN 0.218 nan 8.300 nan 0.000 0.452 255 I N 2.588 122.957 120.570 -0.335 0.000 2.499 255 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 255 I C -1.468 174.463 176.117 -0.311 0.000 1.048 255 I CA -0.577 60.471 61.300 -0.420 0.000 1.062 255 I CB 2.128 39.953 38.000 -0.290 0.000 1.238 255 I HN 0.422 nan 8.210 nan 0.000 0.426 256 D N 5.984 126.185 120.400 -0.332 0.000 2.476 256 D HA 0.290 4.930 4.640 -0.000 0.000 0.251 256 D C -1.403 174.882 176.300 -0.025 0.000 1.291 256 D CA -0.207 53.746 54.000 -0.078 0.000 0.939 256 D CB 1.285 42.142 40.800 0.094 0.000 1.221 256 D HN 0.465 nan 8.370 nan 0.000 0.567 257 N N 4.425 123.133 118.700 0.013 0.000 2.371 257 N HA 0.143 4.883 4.740 -0.000 0.000 0.291 257 N C 0.379 175.919 175.510 0.051 0.000 1.053 257 N CA -0.491 52.584 53.050 0.041 0.000 0.870 257 N CB 1.603 40.163 38.487 0.120 0.000 1.503 257 N HN 0.278 nan 8.380 nan 0.000 0.485 258 I N 3.954 124.526 120.570 0.002 0.000 2.614 258 I HA -0.054 4.116 4.170 -0.000 0.000 0.258 258 I C 1.680 177.865 176.117 0.113 0.000 1.189 258 I CA 0.633 61.925 61.300 -0.013 0.000 1.462 258 I CB -0.637 37.282 38.000 -0.135 0.000 1.092 258 I HN 0.626 nan 8.210 nan 0.000 0.442 259 F N 1.427 121.405 119.950 0.047 0.000 2.202 259 F HA -0.239 4.288 4.527 -0.000 0.000 0.301 259 F C 2.273 178.162 175.800 0.148 0.000 1.082 259 F CA 1.561 59.633 58.000 0.120 0.000 1.313 259 F CB -0.320 38.797 39.000 0.196 0.000 1.024 259 F HN -0.015 nan 8.300 nan 0.000 0.495 260 R N -0.143 120.350 120.500 -0.012 0.000 2.148 260 R HA -0.154 4.186 4.340 -0.000 0.000 0.223 260 R C 2.193 178.413 176.300 -0.132 0.000 1.088 260 R CA 1.224 57.245 56.100 -0.133 0.000 0.985 260 R CB -1.668 28.651 30.300 0.031 0.000 0.880 260 R HN 0.490 nan 8.270 nan 0.000 0.451 261 F N 1.715 121.559 119.950 -0.175 0.000 2.126 261 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 261 F C 1.970 177.666 175.800 -0.172 0.000 1.096 261 F CA 1.788 59.701 58.000 -0.145 0.000 1.255 261 F CB -0.259 38.669 39.000 -0.119 0.000 0.997 261 F HN -0.109 nan 8.300 nan 0.000 0.479 262 T N -0.108 114.323 114.554 -0.205 0.000 2.851 262 T HA -0.182 4.167 4.350 -0.000 0.000 0.262 262 T C 1.877 176.383 174.700 -0.324 0.000 1.043 262 T CA 1.306 63.237 62.100 -0.282 0.000 1.140 262 T CB -0.291 68.507 68.868 -0.117 0.000 0.872 262 T HN 0.435 nan 8.240 nan 0.000 0.446 263 Q N 0.657 120.135 119.800 -0.535 0.000 2.096 263 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 263 Q C 2.411 178.282 176.000 -0.215 0.000 0.982 263 Q CA 1.584 57.155 55.803 -0.386 0.000 0.850 263 Q CB -0.269 28.117 28.738 -0.587 0.000 0.901 263 Q HN 0.522 nan 8.270 nan 0.000 0.422 264 A N 0.218 122.892 122.820 -0.244 0.000 1.969 264 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 264 A C 2.207 179.674 177.584 -0.194 0.000 1.169 264 A CA 1.419 53.347 52.037 -0.181 0.000 0.635 264 A CB -1.046 17.855 19.000 -0.165 0.000 0.810 264 A HN 0.602 nan 8.150 nan 0.000 0.445 265 G N -0.005 108.624 108.800 -0.285 0.000 2.432 265 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 265 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 265 G C 1.904 176.734 174.900 -0.118 0.000 1.135 265 G CA 1.638 46.588 45.100 -0.249 0.000 0.767 265 G HN 0.813 nan 8.290 nan 0.000 0.550 266 S N 0.468 116.126 115.700 -0.071 0.000 2.414 266 S HA 0.022 4.492 4.470 -0.000 0.000 0.227 266 S C 1.908 176.485 174.600 -0.039 0.000 1.022 266 S CA 1.214 59.407 58.200 -0.012 0.000 0.958 266 S CB -0.197 63.028 63.200 0.041 0.000 0.797 266 S HN 0.539 nan 8.310 nan 0.000 0.493 267 E N 1.302 121.470 120.200 -0.054 0.000 2.110 267 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 267 E C 2.242 178.819 176.600 -0.039 0.000 0.988 267 E CA 1.510 57.883 56.400 -0.044 0.000 0.804 267 E CB -0.394 29.279 29.700 -0.044 0.000 0.745 267 E HN 0.684 nan 8.360 nan 0.000 0.458 268 V N -2.090 117.796 119.914 -0.048 0.000 2.878 268 V HA -0.011 4.109 4.120 -0.000 0.000 0.250 268 V C 2.215 178.291 176.094 -0.029 0.000 1.075 268 V CA 1.224 63.501 62.300 -0.037 0.000 1.096 268 V CB 0.233 32.030 31.823 -0.043 0.000 0.724 268 V HN 0.088 nan 8.190 nan 0.000 0.467 269 S N 1.135 116.816 115.700 -0.031 0.000 2.383 269 S HA -0.175 4.294 4.470 -0.000 0.000 0.229 269 S C 2.209 176.802 174.600 -0.011 0.000 1.030 269 S CA 1.874 60.064 58.200 -0.017 0.000 1.002 269 S CB -0.596 62.599 63.200 -0.008 0.000 0.829 269 S HN 0.980 nan 8.310 nan 0.000 0.467 270 A N 1.008 123.819 122.820 -0.015 0.000 1.927 270 A HA -0.086 4.233 4.320 -0.000 0.000 0.220 270 A C 1.997 179.575 177.584 -0.009 0.000 1.185 270 A CA 1.850 53.879 52.037 -0.013 0.000 0.639 270 A CB -0.659 18.330 19.000 -0.019 0.000 0.820 270 A HN 0.610 nan 8.150 nan 0.000 0.451 271 L N -1.278 119.939 121.223 -0.010 0.000 2.554 271 L HA 0.204 4.544 4.340 -0.000 0.000 0.225 271 L C 1.827 178.695 176.870 -0.003 0.000 1.104 271 L CA -0.087 54.750 54.840 -0.006 0.000 0.866 271 L CB -0.077 41.978 42.059 -0.007 0.000 1.047 271 L HN 0.247 nan 8.230 nan 0.000 0.468 272 L N 0.217 121.437 121.223 -0.004 0.000 2.478 272 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 272 L C 1.532 178.404 176.870 0.003 0.000 1.140 272 L CA 0.947 55.787 54.840 -0.000 0.000 0.842 272 L CB -0.290 41.767 42.059 -0.004 0.000 0.953 272 L HN 0.533 nan 8.230 nan 0.000 0.452 273 G N -0.092 108.710 108.800 0.003 0.000 2.184 273 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.206 273 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.206 273 G C 0.173 175.076 174.900 0.006 0.000 0.995 273 G CA -0.497 44.606 45.100 0.005 0.000 0.651 273 G HN 0.237 nan 8.290 nan 0.000 0.511 274 R N 0.123 120.626 120.500 0.005 0.000 2.438 274 R HA 0.599 4.939 4.340 -0.000 0.000 0.287 274 R C 0.928 177.234 176.300 0.011 0.000 1.077 274 R CA -0.388 55.717 56.100 0.009 0.000 1.034 274 R CB 0.649 30.955 30.300 0.009 0.000 0.993 274 R HN 0.331 nan 8.270 nan 0.000 0.459 275 I N 5.790 126.367 120.570 0.013 0.000 2.598 275 I HA 0.070 4.240 4.170 -0.000 0.000 0.284 275 I C -1.505 174.625 176.117 0.021 0.000 1.140 275 I CA -1.449 59.860 61.300 0.015 0.000 1.420 275 I CB 0.414 38.423 38.000 0.015 0.000 1.387 275 I HN 0.390 nan 8.210 nan 0.000 0.553 276 P HA 0.082 nan 4.420 nan 0.000 0.272 276 P C -0.382 176.944 177.300 0.044 0.000 1.223 276 P CA -0.242 62.876 63.100 0.031 0.000 0.784 276 P CB 1.330 33.040 31.700 0.017 0.000 0.923 277 S N 0.581 116.323 115.700 0.069 0.000 2.561 277 S HA 0.626 5.096 4.470 -0.000 0.000 0.282 277 S C -0.054 174.604 174.600 0.097 0.000 1.123 277 S CA -0.423 57.826 58.200 0.082 0.000 1.011 277 S CB 0.124 63.383 63.200 0.099 0.000 1.244 277 S HN 0.612 nan 8.310 nan 0.000 0.503 278 A N 0.357 123.248 122.820 0.117 0.000 2.531 278 A HA 0.407 4.727 4.320 -0.000 0.000 0.236 278 A C 0.932 178.620 177.584 0.174 0.000 1.062 278 A CA 0.391 52.503 52.037 0.125 0.000 0.760 278 A CB -0.809 18.264 19.000 0.122 0.000 0.995 278 A HN 1.631 nan 8.150 nan 0.000 0.501 279 V N 1.095 121.070 119.914 0.101 0.000 4.112 279 V HA -0.308 3.812 4.120 -0.000 0.000 0.233 279 V C 1.743 177.771 176.094 -0.110 0.000 0.458 279 V CA 1.545 63.867 62.300 0.036 0.000 0.909 279 V CB -2.571 29.328 31.823 0.127 0.000 0.963 279 V HN 2.919 nan 8.190 nan 0.000 1.260 280 G N -2.346 106.426 108.800 -0.047 0.000 2.168 280 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.263 280 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.263 280 G C -0.077 174.763 174.900 -0.100 0.000 0.977 280 G CA 0.519 45.568 45.100 -0.086 0.000 0.659 280 G HN 0.919 nan 8.290 nan 0.000 0.533 281 Y N 1.584 121.905 120.300 0.035 0.000 2.357 281 Y HA 0.333 4.883 4.550 -0.000 0.000 0.340 281 Y C 1.537 177.445 175.900 0.012 0.000 1.260 281 Y CA -0.103 58.014 58.100 0.027 0.000 1.425 281 Y CB 0.513 39.001 38.460 0.047 0.000 1.326 281 Y HN 0.411 nan 8.280 nan 0.000 0.580 282 Q N 4.047 123.963 119.800 0.193 0.000 2.349 282 Q HA -0.005 4.335 4.340 -0.000 0.000 0.287 282 Q C -2.270 173.783 176.000 0.089 0.000 1.044 282 Q CA -1.387 54.471 55.803 0.093 0.000 0.918 282 Q CB 0.721 29.488 28.738 0.047 0.000 1.242 282 Q HN 0.420 nan 8.270 nan 0.000 0.405 283 P HA -0.084 nan 4.420 nan 0.000 0.226 283 P C 0.776 178.101 177.300 0.042 0.000 1.153 283 P CA 1.238 64.369 63.100 0.052 0.000 0.777 283 P CB -0.026 31.696 31.700 0.037 0.000 0.794 284 T N -3.670 110.905 114.554 0.035 0.000 3.244 284 T HA 0.176 4.526 4.350 -0.000 0.000 0.254 284 T C 1.462 176.182 174.700 0.033 0.000 1.024 284 T CA -0.362 61.755 62.100 0.030 0.000 0.920 284 T CB -0.971 67.908 68.868 0.018 0.000 1.042 284 T HN -0.056 nan 8.240 nan 0.000 0.572 285 L N 0.918 122.161 121.223 0.032 0.000 2.012 285 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 285 L C 2.764 179.662 176.870 0.046 0.000 1.073 285 L CA 1.986 56.836 54.840 0.016 0.000 0.748 285 L CB -0.614 41.424 42.059 -0.036 0.000 0.891 285 L HN 0.419 nan 8.230 nan 0.000 0.431 286 A N -1.000 121.852 122.820 0.053 0.000 1.930 286 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 286 A C 2.319 179.963 177.584 0.100 0.000 1.176 286 A CA 1.730 53.818 52.037 0.085 0.000 0.632 286 A CB -1.030 18.014 19.000 0.074 0.000 0.819 286 A HN 0.614 nan 8.150 nan 0.000 0.445 287 T N -1.904 112.696 114.554 0.076 0.000 2.812 287 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 287 T C 1.364 176.115 174.700 0.085 0.000 1.042 287 T CA 1.383 63.527 62.100 0.073 0.000 1.140 287 T CB -0.517 68.381 68.868 0.051 0.000 0.870 287 T HN 0.312 nan 8.240 nan 0.000 0.445 288 D N 1.082 121.539 120.400 0.095 0.000 2.116 288 D HA -0.107 4.533 4.640 -0.000 0.000 0.193 288 D C 1.989 178.428 176.300 0.232 0.000 0.998 288 D CA 1.236 55.330 54.000 0.158 0.000 0.836 288 D CB -0.459 40.413 40.800 0.120 0.000 0.951 288 D HN 0.391 nan 8.370 nan 0.000 0.449 289 M N 0.357 120.071 119.600 0.189 0.000 2.086 289 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 289 M C 2.111 178.336 176.300 -0.125 0.000 1.067 289 M CA 2.124 57.459 55.300 0.058 0.000 1.116 289 M CB -0.289 32.337 32.600 0.043 0.000 1.348 289 M HN 0.053 nan 8.290 nan 0.000 0.407 290 G N -0.615 108.190 108.800 0.009 0.000 2.422 290 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 290 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 290 G C 1.428 176.333 174.900 0.009 0.000 1.146 290 G CA 1.557 46.694 45.100 0.060 0.000 0.769 290 G HN 0.616 nan 8.290 nan 0.000 0.547 291 T N -1.650 112.918 114.554 0.025 0.000 2.867 291 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 291 T C 2.214 176.902 174.700 -0.021 0.000 1.057 291 T CA 1.480 63.596 62.100 0.026 0.000 1.136 291 T CB -0.132 68.773 68.868 0.061 0.000 0.874 291 T HN 0.155 nan 8.240 nan 0.000 0.466 292 M N 0.367 119.912 119.600 -0.091 0.000 2.191 292 M HA 0.028 4.508 4.480 -0.000 0.000 0.262 292 M C 2.318 178.463 176.300 -0.258 0.000 1.083 292 M CA 1.367 56.535 55.300 -0.221 0.000 1.154 292 M CB -0.617 31.683 32.600 -0.501 0.000 1.344 292 M HN 0.148 nan 8.290 nan 0.000 0.431 293 Q N 0.620 120.225 119.800 -0.325 0.000 2.124 293 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 293 Q C 1.723 177.637 176.000 -0.145 0.000 0.977 293 Q CA 1.248 56.855 55.803 -0.327 0.000 0.850 293 Q CB -0.417 27.930 28.738 -0.651 0.000 0.901 293 Q HN 0.558 nan 8.270 nan 0.000 0.429 294 E N 0.316 120.475 120.200 -0.067 0.000 2.409 294 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 294 E C 1.720 178.310 176.600 -0.016 0.000 1.024 294 E CA 0.443 56.847 56.400 0.007 0.000 0.861 294 E CB 0.026 29.755 29.700 0.047 0.000 0.788 294 E HN 0.330 nan 8.360 nan 0.000 0.521 295 R N 0.016 120.485 120.500 -0.050 0.000 2.210 295 R HA 0.179 4.519 4.340 -0.000 0.000 0.203 295 R C 0.984 177.244 176.300 -0.067 0.000 1.010 295 R CA 0.168 56.238 56.100 -0.051 0.000 1.008 295 R CB 0.263 30.528 30.300 -0.059 0.000 0.923 295 R HN 0.054 nan 8.270 nan 0.000 0.469 296 I N 1.884 122.397 120.570 -0.095 0.000 2.278 296 I HA 0.055 4.225 4.170 -0.000 0.000 0.300 296 I C -0.111 175.959 176.117 -0.078 0.000 1.174 296 I CA 0.278 61.514 61.300 -0.107 0.000 1.347 296 I CB 0.418 38.325 38.000 -0.154 0.000 1.473 296 I HN -0.064 nan 8.210 nan 0.000 0.595 297 T N 2.826 117.344 114.554 -0.060 0.000 3.047 297 T HA 0.212 4.562 4.350 -0.000 0.000 0.340 297 T C -0.298 174.379 174.700 -0.038 0.000 1.421 297 T CA -0.369 61.706 62.100 -0.042 0.000 1.090 297 T CB 1.491 70.346 68.868 -0.021 0.000 1.292 297 T HN 0.301 nan 8.240 nan 0.000 0.480 298 T N 3.843 118.375 114.554 -0.036 0.000 2.918 298 T HA 0.560 4.910 4.350 -0.000 0.000 0.302 298 T C 0.563 175.244 174.700 -0.032 0.000 1.045 298 T CA -0.005 62.076 62.100 -0.031 0.000 1.114 298 T CB 0.623 69.474 68.868 -0.029 0.000 0.965 298 T HN 0.898 nan 8.240 nan 0.000 0.540 299 T N -0.288 114.247 114.554 -0.032 0.000 2.742 299 T HA 0.471 4.821 4.350 -0.000 0.000 0.282 299 T C 0.935 175.610 174.700 -0.041 0.000 1.025 299 T CA -1.083 60.993 62.100 -0.040 0.000 1.020 299 T CB 1.439 70.286 68.868 -0.035 0.000 1.317 299 T HN 0.366 nan 8.240 nan 0.000 0.538 300 K N 0.024 120.395 120.400 -0.048 0.000 2.283 300 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 300 K C 2.006 178.584 176.600 -0.036 0.000 1.048 300 K CA 0.934 57.194 56.287 -0.045 0.000 0.948 300 K CB -0.072 32.397 32.500 -0.052 0.000 0.742 300 K HN 0.473 nan 8.250 nan 0.000 0.458 301 K N -0.328 120.051 120.400 -0.034 0.000 2.076 301 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 301 K C 0.938 177.522 176.600 -0.026 0.000 1.051 301 K CA 0.805 57.073 56.287 -0.032 0.000 0.949 301 K CB 0.432 32.910 32.500 -0.036 0.000 0.726 301 K HN 0.172 nan 8.250 nan 0.000 0.443 302 G N -0.393 108.395 108.800 -0.021 0.000 2.506 302 G HA2 0.233 4.193 3.960 -0.000 0.000 0.292 302 G HA3 0.233 4.193 3.960 -0.000 0.000 0.292 302 G C -1.712 173.184 174.900 -0.006 0.000 1.425 302 G CA -0.653 44.441 45.100 -0.010 0.000 0.788 302 G HN -0.047 nan 8.290 nan 0.000 0.490 303 S N -0.735 114.968 115.700 0.005 0.000 2.462 303 S HA 0.736 5.205 4.470 -0.000 0.000 0.294 303 S C -0.372 174.231 174.600 0.006 0.000 1.144 303 S CA -0.673 57.529 58.200 0.004 0.000 1.088 303 S CB 0.586 63.794 63.200 0.014 0.000 1.009 303 S HN 0.501 nan 8.310 nan 0.000 0.484 304 I N 4.171 124.726 120.570 -0.024 0.000 2.382 304 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 304 I C -0.193 175.865 176.117 -0.098 0.000 1.007 304 I CA -0.463 60.802 61.300 -0.058 0.000 1.142 304 I CB 2.026 39.987 38.000 -0.065 0.000 1.289 304 I HN 0.558 nan 8.210 nan 0.000 0.453 305 T N 4.597 119.065 114.554 -0.142 0.000 2.723 305 T HA 0.253 4.603 4.350 -0.000 0.000 0.297 305 T C 0.194 174.705 174.700 -0.316 0.000 0.925 305 T CA -0.512 61.475 62.100 -0.189 0.000 1.030 305 T CB 0.410 69.177 68.868 -0.167 0.000 0.905 305 T HN 0.659 nan 8.240 nan 0.000 0.502 306 S N 2.329 117.857 115.700 -0.287 0.000 2.472 306 S HA 0.713 5.182 4.470 -0.000 0.000 0.303 306 S C -0.488 173.897 174.600 -0.359 0.000 1.099 306 S CA -0.824 57.166 58.200 -0.350 0.000 1.077 306 S CB 1.351 64.399 63.200 -0.254 0.000 1.031 306 S HN 0.376 nan 8.310 nan 0.000 0.487 307 V N 3.419 123.085 119.914 -0.413 0.000 2.407 307 V HA 0.451 4.570 4.120 -0.000 0.000 0.291 307 V C -0.567 175.419 176.094 -0.180 0.000 1.018 307 V CA -0.518 61.627 62.300 -0.259 0.000 0.842 307 V CB 1.191 32.956 31.823 -0.096 0.000 0.996 307 V HN 0.963 nan 8.190 nan 0.000 0.426 308 Q N 3.027 122.712 119.800 -0.191 0.000 2.331 308 Q HA 0.755 5.095 4.340 -0.000 0.000 0.267 308 Q C -0.265 175.626 176.000 -0.182 0.000 1.006 308 Q CA -0.568 55.120 55.803 -0.192 0.000 0.818 308 Q CB 2.655 31.254 28.738 -0.231 0.000 1.276 308 Q HN 0.875 nan 8.270 nan 0.000 0.450 309 A N 3.392 126.140 122.820 -0.120 0.000 2.363 309 A HA 0.594 4.914 4.320 -0.000 0.000 0.270 309 A C -0.393 177.113 177.584 -0.130 0.000 1.121 309 A CA -0.254 51.728 52.037 -0.091 0.000 0.800 309 A CB 0.142 19.145 19.000 0.007 0.000 1.052 309 A HN 0.753 nan 8.150 nan 0.000 0.493 310 I N 2.693 123.142 120.570 -0.202 0.000 2.493 310 I HA 0.149 4.319 4.170 -0.000 0.000 0.279 310 I C -0.764 175.307 176.117 -0.077 0.000 1.045 310 I CA -0.439 60.718 61.300 -0.238 0.000 1.106 310 I CB 1.088 38.629 38.000 -0.766 0.000 1.216 310 I HN 0.734 nan 8.210 nan 0.000 0.459 311 Y N 6.878 127.132 120.300 -0.075 0.000 2.597 311 Y HA 0.297 4.847 4.550 -0.000 0.000 0.336 311 Y C -0.236 175.490 175.900 -0.290 0.000 1.216 311 Y CA 0.114 58.104 58.100 -0.183 0.000 1.463 311 Y CB 0.853 39.156 38.460 -0.262 0.000 1.303 311 Y HN 0.273 nan 8.280 nan 0.000 0.576 312 V N 8.763 128.055 119.914 -1.036 0.000 2.284 312 V HA 0.270 4.390 4.120 -0.000 0.000 0.274 312 V C -2.305 173.181 176.094 -1.014 0.000 1.023 312 V CA -2.115 59.751 62.300 -0.724 0.000 0.808 312 V CB 0.890 32.552 31.823 -0.269 0.000 1.035 312 V HN 0.726 nan 8.190 nan 0.000 0.445 313 P HA 0.042 nan 4.420 nan 0.000 0.260 313 P C 0.726 177.918 177.300 -0.180 0.000 1.172 313 P CA 0.889 63.780 63.100 -0.349 0.000 0.760 313 P CB 0.515 32.200 31.700 -0.024 0.000 0.773 314 A N 4.344 127.112 122.820 -0.086 0.000 2.748 314 A HA -0.262 4.058 4.320 -0.000 0.000 0.297 314 A C 0.957 178.506 177.584 -0.059 0.000 1.508 314 A CA 1.253 53.273 52.037 -0.030 0.000 0.799 314 A CB -2.389 16.619 19.000 0.012 0.000 1.011 314 A HN 0.663 nan 8.150 nan 0.000 0.500 315 D N -1.995 118.332 120.400 -0.123 0.000 3.077 315 D HA -0.185 4.455 4.640 -0.000 0.000 0.217 315 D C -0.161 176.102 176.300 -0.062 0.000 1.162 315 D CA 2.070 56.015 54.000 -0.092 0.000 0.943 315 D CB -1.239 39.536 40.800 -0.043 0.000 1.122 315 D HN 0.949 nan 8.370 nan 0.000 0.413 316 D N 0.253 120.617 120.400 -0.061 0.000 2.411 316 D HA 0.242 4.882 4.640 -0.000 0.000 0.225 316 D C 1.387 177.687 176.300 0.000 0.000 1.156 316 D CA -0.349 53.640 54.000 -0.018 0.000 0.874 316 D CB 0.276 41.078 40.800 0.005 0.000 1.034 316 D HN 0.111 nan 8.370 nan 0.000 0.502 317 L N 2.587 123.818 121.223 0.014 0.000 2.465 317 L HA -0.064 4.276 4.340 -0.000 0.000 0.224 317 L C 2.218 179.143 176.870 0.092 0.000 1.145 317 L CA 1.174 56.053 54.840 0.065 0.000 0.834 317 L CB -0.268 41.820 42.059 0.049 0.000 0.944 317 L HN 0.486 nan 8.230 nan 0.000 0.451 318 T N -4.812 109.772 114.554 0.049 0.000 3.100 318 T HA -0.043 4.307 4.350 -0.000 0.000 0.253 318 T C 0.585 175.331 174.700 0.078 0.000 1.118 318 T CA -0.381 61.750 62.100 0.051 0.000 1.058 318 T CB -0.413 68.468 68.868 0.022 0.000 0.953 318 T HN 0.180 nan 8.240 nan 0.000 0.515 319 D N 2.632 123.086 120.400 0.091 0.000 2.525 319 D HA 0.094 4.734 4.640 -0.000 0.000 0.235 319 D C -1.345 175.019 176.300 0.107 0.000 1.137 319 D CA -1.436 52.643 54.000 0.133 0.000 0.868 319 D CB 1.058 41.946 40.800 0.148 0.000 1.180 319 D HN -0.010 nan 8.370 nan 0.000 0.465 320 P HA -0.254 nan 4.420 nan 0.000 0.217 320 P C 0.729 177.966 177.300 -0.104 0.000 1.151 320 P CA 1.891 64.965 63.100 -0.044 0.000 0.849 320 P CB 0.042 31.666 31.700 -0.127 0.000 0.787 321 A N 0.170 122.882 122.820 -0.181 0.000 1.835 321 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 321 A C 0.008 177.670 177.584 0.130 0.000 1.199 321 A CA 2.352 54.377 52.037 -0.020 0.000 0.615 321 A CB -2.283 16.846 19.000 0.214 0.000 0.838 321 A HN 0.225 nan 8.150 nan 0.000 0.444 322 P HA -0.081 nan 4.420 nan 0.000 0.219 322 P C 1.574 179.018 177.300 0.242 0.000 1.150 322 P CA 1.854 65.087 63.100 0.221 0.000 0.814 322 P CB -0.195 31.640 31.700 0.224 0.000 0.787 323 A N 0.229 123.198 122.820 0.248 0.000 1.908 323 A HA -0.160 4.159 4.320 -0.000 0.000 0.218 323 A C 2.265 180.022 177.584 0.288 0.000 1.181 323 A CA 2.538 54.758 52.037 0.305 0.000 0.627 323 A CB -1.964 17.131 19.000 0.158 0.000 0.818 323 A HN 0.224 nan 8.150 nan 0.000 0.445 324 T N -0.426 114.240 114.554 0.186 0.000 2.995 324 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 324 T C 1.787 176.637 174.700 0.249 0.000 1.091 324 T CA 1.598 63.804 62.100 0.176 0.000 1.128 324 T CB -0.319 68.620 68.868 0.118 0.000 0.891 324 T HN 0.566 nan 8.240 nan 0.000 0.492 325 T N 1.609 116.302 114.554 0.231 0.000 2.904 325 T HA 0.074 4.424 4.350 -0.000 0.000 0.267 325 T C 1.508 176.360 174.700 0.253 0.000 1.059 325 T CA 0.605 62.835 62.100 0.218 0.000 1.137 325 T CB -0.469 68.440 68.868 0.069 0.000 0.879 325 T HN 0.343 nan 8.240 nan 0.000 0.467 326 F N 2.094 122.218 119.950 0.289 0.000 2.120 326 F HA -0.135 4.391 4.527 -0.000 0.000 0.300 326 F C 2.684 178.544 175.800 0.100 0.000 1.095 326 F CA 1.033 59.152 58.000 0.198 0.000 1.249 326 F CB -0.574 38.436 39.000 0.016 0.000 0.995 326 F HN 0.143 nan 8.300 nan 0.000 0.480 327 A N -1.456 121.479 122.820 0.192 0.000 2.178 327 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 327 A C 1.556 179.056 177.584 -0.141 0.000 1.157 327 A CA 1.253 53.279 52.037 -0.018 0.000 0.689 327 A CB -0.900 18.020 19.000 -0.134 0.000 0.787 327 A HN 0.472 nan 8.150 nan 0.000 0.465 328 H N -1.152 117.968 119.070 0.084 0.000 2.539 328 H HA 0.356 4.912 4.556 -0.000 0.000 0.269 328 H C -0.180 175.159 175.328 0.020 0.000 0.980 328 H CA 0.266 56.333 56.048 0.032 0.000 1.152 328 H CB 0.046 29.806 29.762 -0.004 0.000 1.407 328 H HN 0.341 nan 8.280 nan 0.000 0.564 329 L N -0.049 121.252 121.223 0.131 0.000 2.341 329 L HA 0.238 4.578 4.340 -0.000 0.000 0.267 329 L C 0.635 177.555 176.870 0.082 0.000 1.009 329 L CA -0.644 54.254 54.840 0.096 0.000 0.819 329 L CB 2.152 44.292 42.059 0.135 0.000 1.323 329 L HN -0.130 nan 8.230 nan 0.000 0.425 330 D N 0.585 121.016 120.400 0.050 0.000 2.379 330 D HA 0.207 4.847 4.640 -0.000 0.000 0.218 330 D C 0.226 176.574 176.300 0.079 0.000 1.006 330 D CA 0.574 54.606 54.000 0.053 0.000 0.893 330 D CB 1.025 41.841 40.800 0.027 0.000 1.019 330 D HN 0.505 nan 8.370 nan 0.000 0.503 331 A N 0.549 123.414 122.820 0.075 0.000 2.414 331 A HA 0.616 4.936 4.320 -0.000 0.000 0.306 331 A C -0.426 177.249 177.584 0.152 0.000 1.054 331 A CA -0.527 51.592 52.037 0.136 0.000 0.724 331 A CB 1.594 20.713 19.000 0.197 0.000 1.267 331 A HN -0.002 nan 8.150 nan 0.000 0.418 332 T N -0.882 113.817 114.554 0.242 0.000 2.861 332 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 332 T C -0.586 174.313 174.700 0.332 0.000 1.003 332 T CA -0.512 61.786 62.100 0.331 0.000 0.977 332 T CB 1.472 70.602 68.868 0.438 0.000 0.996 332 T HN 0.505 nan 8.240 nan 0.000 0.448 333 T N 2.789 117.558 114.554 0.358 0.000 2.791 333 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 333 T C -0.317 174.588 174.700 0.340 0.000 0.999 333 T CA -0.594 61.698 62.100 0.319 0.000 0.952 333 T CB 1.062 70.129 68.868 0.332 0.000 0.938 333 T HN 0.654 nan 8.240 nan 0.000 0.444 334 V N 5.545 125.618 119.914 0.265 0.000 2.347 334 V HA 0.419 4.538 4.120 -0.000 0.000 0.280 334 V C 0.040 176.235 176.094 0.168 0.000 1.021 334 V CA -0.831 61.614 62.300 0.242 0.000 0.847 334 V CB 0.977 32.892 31.823 0.153 0.000 0.990 334 V HN 0.744 nan 8.190 nan 0.000 0.444 335 L N 3.874 125.201 121.223 0.172 0.000 2.357 335 L HA 0.664 5.004 4.340 -0.000 0.000 0.273 335 L C 0.367 177.286 176.870 0.082 0.000 1.080 335 L CA 0.019 54.932 54.840 0.121 0.000 0.803 335 L CB 1.689 43.828 42.059 0.133 0.000 1.174 335 L HN 0.682 nan 8.230 nan 0.000 0.443 336 S N 1.626 117.354 115.700 0.047 0.000 2.557 336 S HA 0.345 4.815 4.470 -0.000 0.000 0.291 336 S C 0.591 175.192 174.600 0.002 0.000 1.116 336 S CA -0.796 57.416 58.200 0.020 0.000 0.992 336 S CB 1.829 65.033 63.200 0.007 0.000 1.028 336 S HN 0.731 nan 8.310 nan 0.000 0.484 337 R N 3.326 123.828 120.500 0.003 0.000 2.081 337 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 337 R C 2.160 178.446 176.300 -0.023 0.000 1.131 337 R CA 1.857 57.956 56.100 -0.002 0.000 0.960 337 R CB -0.710 29.594 30.300 0.006 0.000 0.856 337 R HN 0.807 nan 8.270 nan 0.000 0.436 338 A N 0.997 123.803 122.820 -0.023 0.000 1.940 338 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 338 A C 2.114 179.672 177.584 -0.044 0.000 1.176 338 A CA 1.365 53.385 52.037 -0.030 0.000 0.631 338 A CB -0.464 18.520 19.000 -0.027 0.000 0.814 338 A HN 0.368 nan 8.150 nan 0.000 0.446 339 I N -0.613 119.927 120.570 -0.049 0.000 2.439 339 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 339 I C 2.881 178.909 176.117 -0.148 0.000 1.139 339 I CA 0.936 62.196 61.300 -0.068 0.000 1.438 339 I CB -0.419 37.554 38.000 -0.045 0.000 1.085 339 I HN 0.375 nan 8.210 nan 0.000 0.427 340 A N 0.627 123.338 122.820 -0.181 0.000 1.930 340 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 340 A C 2.081 179.519 177.584 -0.244 0.000 1.175 340 A CA 1.301 53.128 52.037 -0.351 0.000 0.627 340 A CB -0.449 18.434 19.000 -0.196 0.000 0.815 340 A HN 0.426 nan 8.150 nan 0.000 0.443 341 E N -0.276 119.857 120.200 -0.111 0.000 2.482 341 E HA 0.035 4.385 4.350 -0.000 0.000 0.196 341 E C 0.922 177.489 176.600 -0.056 0.000 1.047 341 E CA 0.185 56.551 56.400 -0.058 0.000 0.869 341 E CB -0.125 29.558 29.700 -0.028 0.000 0.836 341 E HN 0.629 nan 8.360 nan 0.000 0.520 342 L N -0.301 120.878 121.223 -0.073 0.000 2.612 342 L HA 0.190 4.530 4.340 -0.000 0.000 0.230 342 L C 1.379 178.213 176.870 -0.060 0.000 1.140 342 L CA 0.189 54.996 54.840 -0.055 0.000 0.896 342 L CB -0.143 41.899 42.059 -0.029 0.000 1.065 342 L HN 0.189 nan 8.230 nan 0.000 0.447 343 G N 0.643 109.388 108.800 -0.092 0.000 2.166 343 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 343 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 343 G C 0.352 175.261 174.900 0.015 0.000 0.986 343 G CA -0.190 44.895 45.100 -0.025 0.000 0.683 343 G HN 0.232 nan 8.290 nan 0.000 0.527 344 I N 0.827 121.321 120.570 -0.126 0.000 2.421 344 I HA 0.356 4.525 4.170 -0.000 0.000 0.291 344 I C 0.160 176.064 176.117 -0.354 0.000 1.089 344 I CA -0.323 60.931 61.300 -0.076 0.000 1.354 344 I CB -0.413 37.575 38.000 -0.019 0.000 1.413 344 I HN 0.101 nan 8.210 nan 0.000 0.513 345 Y N 7.366 127.636 120.300 -0.050 0.000 2.409 345 Y HA 0.385 4.935 4.550 -0.000 0.000 0.343 345 Y C -1.991 173.729 175.900 -0.301 0.000 0.973 345 Y CA -2.408 55.588 58.100 -0.174 0.000 1.064 345 Y CB 2.199 40.532 38.460 -0.211 0.000 1.207 345 Y HN 0.425 nan 8.280 nan 0.000 0.452 346 P HA 0.051 nan 4.420 nan 0.000 0.271 346 P C -0.428 176.888 177.300 0.027 0.000 1.218 346 P CA -0.141 62.938 63.100 -0.034 0.000 0.780 346 P CB 1.141 32.840 31.700 -0.001 0.000 0.901 347 A N 3.563 126.418 122.820 0.058 0.000 2.604 347 A HA 0.192 4.512 4.320 -0.000 0.000 0.248 347 A C 0.550 178.153 177.584 0.031 0.000 1.466 347 A CA -0.266 51.754 52.037 -0.028 0.000 1.222 347 A CB -1.233 17.731 19.000 -0.060 0.000 0.945 347 A HN 0.379 nan 8.150 nan 0.000 0.600 348 V N 1.124 121.070 119.914 0.054 0.000 2.572 348 V HA 0.036 4.156 4.120 -0.000 0.000 0.291 348 V C 0.399 176.522 176.094 0.049 0.000 1.039 348 V CA -0.407 61.938 62.300 0.076 0.000 1.055 348 V CB 1.031 32.908 31.823 0.091 0.000 0.969 348 V HN 0.577 nan 8.190 nan 0.000 0.482 349 D N 7.127 127.559 120.400 0.054 0.000 2.336 349 D HA 0.223 4.863 4.640 -0.000 0.000 0.249 349 D C -1.640 174.676 176.300 0.027 0.000 1.213 349 D CA -2.094 51.924 54.000 0.031 0.000 0.870 349 D CB 1.936 42.751 40.800 0.025 0.000 1.076 349 D HN 0.241 nan 8.370 nan 0.000 0.483 350 P HA 0.019 nan 4.420 nan 0.000 0.229 350 P C 0.941 178.236 177.300 -0.009 0.000 1.160 350 P CA 0.623 63.722 63.100 -0.002 0.000 0.777 350 P CB 0.282 31.976 31.700 -0.010 0.000 0.814 351 L N -1.231 119.987 121.223 -0.008 0.000 2.741 351 L HA 0.259 4.599 4.340 -0.000 0.000 0.237 351 L C 0.879 177.732 176.870 -0.028 0.000 1.178 351 L CA 0.400 55.228 54.840 -0.020 0.000 0.973 351 L CB 0.009 42.054 42.059 -0.023 0.000 1.255 351 L HN -0.139 nan 8.230 nan 0.000 0.498 352 D N -1.062 119.330 120.400 -0.014 0.000 2.563 352 D HA 0.099 4.739 4.640 -0.000 0.000 0.256 352 D C -0.137 176.172 176.300 0.015 0.000 1.400 352 D CA 0.208 54.193 54.000 -0.026 0.000 0.800 352 D CB 0.847 41.628 40.800 -0.032 0.000 1.145 352 D HN -0.096 nan 8.370 nan 0.000 0.501 353 S N -0.085 115.641 115.700 0.043 0.000 2.454 353 S HA 0.692 5.162 4.470 -0.000 0.000 0.306 353 S C -0.094 174.555 174.600 0.082 0.000 1.100 353 S CA -0.638 57.620 58.200 0.096 0.000 1.087 353 S CB 1.839 65.107 63.200 0.114 0.000 1.019 353 S HN 0.258 nan 8.310 nan 0.000 0.480 354 T N -0.859 113.763 114.554 0.114 0.000 2.901 354 T HA 0.832 5.182 4.350 -0.000 0.000 0.293 354 T C -0.665 174.112 174.700 0.127 0.000 1.084 354 T CA -0.853 61.303 62.100 0.094 0.000 1.008 354 T CB 1.880 70.789 68.868 0.069 0.000 1.170 354 T HN 0.459 nan 8.240 nan 0.000 0.509 355 S N -0.573 115.190 115.700 0.106 0.000 2.536 355 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 355 S C 0.623 175.273 174.600 0.084 0.000 1.134 355 S CA -0.738 57.530 58.200 0.114 0.000 0.897 355 S CB 2.076 65.355 63.200 0.131 0.000 1.094 355 S HN 0.878 nan 8.310 nan 0.000 0.473 356 R N 2.370 122.915 120.500 0.075 0.000 2.120 356 R HA 0.043 4.383 4.340 -0.000 0.000 0.234 356 R C 1.795 178.120 176.300 0.041 0.000 1.123 356 R CA 2.333 58.465 56.100 0.053 0.000 0.975 356 R CB -0.450 29.876 30.300 0.045 0.000 0.866 356 R HN 0.825 nan 8.270 nan 0.000 0.446 357 I N -2.229 118.367 120.570 0.043 0.000 3.684 357 I HA 0.190 4.360 4.170 -0.000 0.000 0.304 357 I C 0.451 176.570 176.117 0.004 0.000 1.278 357 I CA -0.148 61.162 61.300 0.018 0.000 1.272 357 I CB 0.002 38.013 38.000 0.018 0.000 1.029 357 I HN -0.001 nan 8.210 nan 0.000 0.458 358 M N 3.229 122.853 119.600 0.040 0.000 3.042 358 M HA 0.286 4.766 4.480 -0.000 0.000 0.283 358 M C -0.937 175.459 176.300 0.159 0.000 1.473 358 M CA -0.012 55.339 55.300 0.086 0.000 1.583 358 M CB -1.245 31.416 32.600 0.100 0.000 1.221 358 M HN 0.254 nan 8.290 nan 0.000 0.518 359 D N 4.766 125.193 120.400 0.044 0.000 2.970 359 D HA 0.360 5.000 4.640 -0.000 0.000 0.230 359 D C -2.438 173.713 176.300 -0.247 0.000 1.276 359 D CA -1.346 52.569 54.000 -0.141 0.000 0.910 359 D CB 2.400 43.146 40.800 -0.089 0.000 1.590 359 D HN 0.156 nan 8.370 nan 0.000 0.551 360 P HA -0.120 nan 4.420 nan 0.000 0.216 360 P C 0.670 177.872 177.300 -0.164 0.000 1.150 360 P CA 1.098 63.982 63.100 -0.361 0.000 0.837 360 P CB 0.333 31.740 31.700 -0.490 0.000 0.786 361 N N -0.767 117.839 118.700 -0.156 0.000 2.520 361 N HA -0.020 4.720 4.740 -0.000 0.000 0.185 361 N C 1.662 177.136 175.510 -0.060 0.000 1.068 361 N CA 0.418 53.416 53.050 -0.088 0.000 0.911 361 N CB -0.211 38.229 38.487 -0.078 0.000 0.961 361 N HN 0.242 nan 8.380 nan 0.000 0.446 362 I N -0.811 119.719 120.570 -0.067 0.000 3.443 362 I HA -0.051 4.119 4.170 -0.000 0.000 0.277 362 I C 1.771 177.863 176.117 -0.042 0.000 1.169 362 I CA 0.250 61.523 61.300 -0.045 0.000 1.419 362 I CB 0.258 38.234 38.000 -0.040 0.000 1.331 362 I HN -0.037 nan 8.210 nan 0.000 0.458 363 V N -1.116 118.754 119.914 -0.072 0.000 3.608 363 V HA 0.564 4.684 4.120 -0.000 0.000 0.269 363 V C 0.878 176.982 176.094 0.016 0.000 1.245 363 V CA 0.189 62.431 62.300 -0.098 0.000 1.138 363 V CB -1.042 30.534 31.823 -0.412 0.000 0.841 363 V HN 0.477 nan 8.190 nan 0.000 0.451 364 G N 0.939 109.752 108.800 0.021 0.000 2.692 364 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.686 364 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.686 364 G C 0.371 175.331 174.900 0.100 0.000 1.243 364 G CA 0.192 45.328 45.100 0.060 0.000 0.782 364 G HN 1.210 nan 8.290 nan 0.000 0.625 365 S N -0.340 115.409 115.700 0.082 0.000 2.423 365 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 365 S C 1.720 176.426 174.600 0.177 0.000 1.014 365 S CA 1.810 60.081 58.200 0.117 0.000 0.965 365 S CB 0.014 63.256 63.200 0.069 0.000 0.785 365 S HN 0.884 nan 8.310 nan 0.000 0.495 366 E N 1.081 121.371 120.200 0.151 0.000 2.028 366 E HA -0.211 4.139 4.350 -0.000 0.000 0.190 366 E C 2.030 178.744 176.600 0.189 0.000 0.984 366 E CA 1.050 57.536 56.400 0.144 0.000 0.800 366 E CB -0.372 29.393 29.700 0.109 0.000 0.758 366 E HN 0.822 nan 8.360 nan 0.000 0.448 367 H N -1.342 117.788 119.070 0.100 0.000 2.289 367 H HA -0.254 4.302 4.556 -0.000 0.000 0.296 367 H C 2.111 177.499 175.328 0.099 0.000 1.091 367 H CA 2.051 58.154 56.048 0.092 0.000 1.274 367 H CB -0.172 29.645 29.762 0.091 0.000 1.364 367 H HN 0.278 nan 8.280 nan 0.000 0.490 368 Y N 1.517 121.942 120.300 0.209 0.000 2.097 368 Y HA -0.256 4.294 4.550 -0.000 0.000 0.282 368 Y C 2.128 178.081 175.900 0.088 0.000 1.152 368 Y CA 2.053 60.216 58.100 0.106 0.000 1.136 368 Y CB -0.429 38.051 38.460 0.034 0.000 0.975 368 Y HN 0.345 nan 8.280 nan 0.000 0.498 369 D N -0.567 119.937 120.400 0.174 0.000 2.133 369 D HA -0.199 4.440 4.640 -0.000 0.000 0.195 369 D C 2.382 178.680 176.300 -0.004 0.000 0.997 369 D CA 1.813 55.855 54.000 0.069 0.000 0.840 369 D CB -0.593 40.276 40.800 0.115 0.000 0.947 369 D HN 0.310 nan 8.370 nan 0.000 0.452 370 V N 1.176 121.108 119.914 0.031 0.000 2.307 370 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 370 V C 2.503 178.568 176.094 -0.048 0.000 1.045 370 V CA 1.727 64.037 62.300 0.016 0.000 1.024 370 V CB -0.883 30.968 31.823 0.047 0.000 0.651 370 V HN 0.201 nan 8.190 nan 0.000 0.449 371 A N 0.188 122.968 122.820 -0.067 0.000 1.883 371 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 371 A C 2.333 179.811 177.584 -0.177 0.000 1.186 371 A CA 1.775 53.737 52.037 -0.125 0.000 0.624 371 A CB -0.479 18.484 19.000 -0.062 0.000 0.822 371 A HN 0.404 nan 8.150 nan 0.000 0.444 372 R N -0.526 119.818 120.500 -0.260 0.000 2.092 372 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 372 R C 2.360 178.589 176.300 -0.118 0.000 1.119 372 R CA 1.220 57.178 56.100 -0.237 0.000 0.970 372 R CB -1.762 28.330 30.300 -0.346 0.000 0.864 372 R HN 0.538 nan 8.270 nan 0.000 0.440 373 G N 0.509 109.259 108.800 -0.083 0.000 2.440 373 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 373 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 373 G C 1.575 176.460 174.900 -0.024 0.000 1.154 373 G CA 0.938 46.018 45.100 -0.033 0.000 0.767 373 G HN 0.187 nan 8.290 nan 0.000 0.552 374 V N 0.403 120.292 119.914 -0.042 0.000 2.295 374 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 374 V C 2.894 178.965 176.094 -0.039 0.000 1.049 374 V CA 2.282 64.558 62.300 -0.040 0.000 1.024 374 V CB -0.617 31.125 31.823 -0.135 0.000 0.648 374 V HN 0.423 nan 8.190 nan 0.000 0.447 375 Q N -0.333 119.429 119.800 -0.064 0.000 2.119 375 Q HA -0.241 4.099 4.340 -0.000 0.000 0.201 375 Q C 2.371 178.357 176.000 -0.024 0.000 0.972 375 Q CA 1.721 57.495 55.803 -0.048 0.000 0.847 375 Q CB -0.213 28.484 28.738 -0.069 0.000 0.903 375 Q HN 0.581 nan 8.270 nan 0.000 0.433 376 K N 0.887 121.271 120.400 -0.026 0.000 2.057 376 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 376 K C 1.922 178.530 176.600 0.012 0.000 1.049 376 K CA 1.070 57.352 56.287 -0.010 0.000 0.931 376 K CB -0.099 32.393 32.500 -0.013 0.000 0.714 376 K HN 0.197 nan 8.250 nan 0.000 0.440 377 I N 0.750 121.330 120.570 0.016 0.000 2.439 377 I HA -0.193 3.976 4.170 -0.000 0.000 0.251 377 I C 1.721 177.883 176.117 0.075 0.000 1.139 377 I CA 0.677 61.997 61.300 0.033 0.000 1.438 377 I CB 0.183 38.193 38.000 0.016 0.000 1.085 377 I HN 0.215 nan 8.210 nan 0.000 0.427 378 L N 0.006 121.271 121.223 0.070 0.000 2.109 378 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 378 L C 2.514 179.442 176.870 0.097 0.000 1.086 378 L CA 0.954 55.864 54.840 0.116 0.000 0.760 378 L CB -0.521 41.583 42.059 0.074 0.000 0.910 378 L HN 0.293 nan 8.230 nan 0.000 0.437 379 Q N 0.404 120.231 119.800 0.044 0.000 2.049 379 Q HA -0.197 4.143 4.340 -0.000 0.000 0.198 379 Q C 1.729 177.744 176.000 0.025 0.000 0.971 379 Q CA 1.715 57.527 55.803 0.015 0.000 0.833 379 Q CB -0.070 28.666 28.738 -0.002 0.000 0.896 379 Q HN 0.322 nan 8.270 nan 0.000 0.434 380 D N -0.764 119.663 120.400 0.046 0.000 2.133 380 D HA -0.195 4.445 4.640 -0.000 0.000 0.195 380 D C 1.598 177.960 176.300 0.103 0.000 0.997 380 D CA 1.316 55.350 54.000 0.056 0.000 0.840 380 D CB -0.470 40.362 40.800 0.053 0.000 0.947 380 D HN 0.347 nan 8.370 nan 0.000 0.452 381 Y N 1.763 122.055 120.300 -0.012 0.000 2.145 381 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 381 Y C 2.203 178.095 175.900 -0.012 0.000 1.145 381 Y CA 1.560 59.653 58.100 -0.012 0.000 1.148 381 Y CB -0.370 38.083 38.460 -0.012 0.000 0.981 381 Y HN -0.168 nan 8.280 nan 0.000 0.507 382 K N -0.350 119.952 120.400 -0.164 0.000 2.113 382 K HA -0.175 4.144 4.320 -0.000 0.000 0.208 382 K C 2.121 178.625 176.600 -0.160 0.000 1.047 382 K CA 1.787 57.928 56.287 -0.244 0.000 0.928 382 K CB -0.209 32.212 32.500 -0.133 0.000 0.716 382 K HN 0.335 nan 8.250 nan 0.000 0.446 383 S N 0.894 116.548 115.700 -0.077 0.000 2.423 383 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 383 S C 1.658 176.233 174.600 -0.042 0.000 1.014 383 S CA 0.815 58.987 58.200 -0.048 0.000 0.965 383 S CB -0.071 63.118 63.200 -0.018 0.000 0.785 383 S HN 0.273 nan 8.310 nan 0.000 0.495 384 L N 1.000 122.203 121.223 -0.033 0.000 2.418 384 L HA 0.035 4.375 4.340 -0.000 0.000 0.218 384 L C 2.492 179.338 176.870 -0.039 0.000 1.125 384 L CA 0.594 55.431 54.840 -0.004 0.000 0.835 384 L CB -0.386 41.714 42.059 0.070 0.000 0.953 384 L HN 0.325 nan 8.230 nan 0.000 0.454 385 Q N -0.048 119.682 119.800 -0.115 0.000 2.172 385 Q HA -0.197 4.142 4.340 -0.000 0.000 0.200 385 Q C 1.410 177.364 176.000 -0.077 0.000 0.964 385 Q CA 1.305 57.028 55.803 -0.134 0.000 0.855 385 Q CB 0.056 28.643 28.738 -0.252 0.000 0.918 385 Q HN 0.430 nan 8.270 nan 0.000 0.444 386 D N 0.441 120.803 120.400 -0.064 0.000 2.144 386 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 386 D C 1.589 177.874 176.300 -0.026 0.000 0.984 386 D CA 0.910 54.885 54.000 -0.042 0.000 0.834 386 D CB 0.074 40.852 40.800 -0.037 0.000 0.955 386 D HN 0.191 nan 8.370 nan 0.000 0.465 387 I N 0.013 120.571 120.570 -0.020 0.000 2.193 387 I HA -0.179 3.991 4.170 -0.000 0.000 0.240 387 I C 2.157 178.273 176.117 -0.002 0.000 1.084 387 I CA 0.651 61.947 61.300 -0.008 0.000 1.365 387 I CB -0.172 37.828 38.000 -0.001 0.000 1.064 387 I HN -0.015 nan 8.210 nan 0.000 0.410 388 I N 1.124 121.695 120.570 0.002 0.000 2.163 388 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 388 I C 2.847 178.966 176.117 0.004 0.000 1.085 388 I CA 1.475 62.783 61.300 0.013 0.000 1.347 388 I CB -0.608 37.413 38.000 0.034 0.000 1.044 388 I HN 0.209 nan 8.210 nan 0.000 0.408 389 A N 0.782 123.595 122.820 -0.010 0.000 1.971 389 A HA -0.224 4.096 4.320 -0.000 0.000 0.222 389 A C 2.220 179.799 177.584 -0.007 0.000 1.182 389 A CA 1.980 54.009 52.037 -0.013 0.000 0.649 389 A CB -0.541 18.444 19.000 -0.025 0.000 0.818 389 A HN 0.414 nan 8.150 nan 0.000 0.458 390 I N -1.638 118.928 120.570 -0.006 0.000 2.900 390 I HA 0.061 4.230 4.170 -0.000 0.000 0.251 390 I C 2.121 178.238 176.117 -0.000 0.000 1.102 390 I CA 0.670 61.968 61.300 -0.004 0.000 1.457 390 I CB -1.119 36.878 38.000 -0.006 0.000 1.285 390 I HN 0.226 nan 8.210 nan 0.000 0.459 391 L N 0.661 121.885 121.223 0.001 0.000 2.509 391 L HA 0.247 4.587 4.340 -0.000 0.000 0.222 391 L C 1.191 178.065 176.870 0.007 0.000 1.123 391 L CA 0.373 55.216 54.840 0.004 0.000 0.856 391 L CB -0.756 41.305 42.059 0.004 0.000 0.985 391 L HN 0.441 nan 8.230 nan 0.000 0.456 392 G N -0.054 108.751 108.800 0.010 0.000 2.804 392 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.230 392 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.230 392 G C 0.455 175.367 174.900 0.019 0.000 1.386 392 G CA -0.105 45.004 45.100 0.015 0.000 0.875 392 G HN -0.047 nan 8.290 nan 0.000 0.557 393 M N -0.025 119.588 119.600 0.022 0.000 2.394 393 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 393 M C 1.820 178.131 176.300 0.018 0.000 1.073 393 M CA 1.585 56.900 55.300 0.024 0.000 1.111 393 M CB -0.898 31.716 32.600 0.024 0.000 1.401 393 M HN 0.559 nan 8.290 nan 0.000 0.448 394 D N 0.554 120.962 120.400 0.013 0.000 2.350 394 D HA -0.099 4.541 4.640 -0.000 0.000 0.216 394 D C 1.602 177.908 176.300 0.010 0.000 0.968 394 D CA 0.745 54.751 54.000 0.010 0.000 0.894 394 D CB 0.062 40.867 40.800 0.008 0.000 0.909 394 D HN 0.317 nan 8.370 nan 0.000 0.520 395 E N -0.061 120.146 120.200 0.011 0.000 2.478 395 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 395 E C 0.706 177.313 176.600 0.011 0.000 1.045 395 E CA -0.049 56.357 56.400 0.010 0.000 0.868 395 E CB 0.557 30.263 29.700 0.009 0.000 0.885 395 E HN 0.343 nan 8.360 nan 0.000 0.505 396 L N 1.736 122.968 121.223 0.014 0.000 2.350 396 L HA 0.127 4.466 4.340 -0.000 0.000 0.275 396 L C 0.972 177.849 176.870 0.012 0.000 1.099 396 L CA -0.515 54.334 54.840 0.016 0.000 0.808 396 L CB 1.087 43.160 42.059 0.022 0.000 1.149 396 L HN -0.047 nan 8.230 nan 0.000 0.442 397 S N 0.494 116.200 115.700 0.011 0.000 2.596 397 S HA 0.003 4.473 4.470 -0.000 0.000 0.260 397 S C 0.818 175.422 174.600 0.007 0.000 1.336 397 S CA -0.418 57.787 58.200 0.008 0.000 0.993 397 S CB 1.173 64.377 63.200 0.007 0.000 0.923 397 S HN 0.678 nan 8.310 nan 0.000 0.567 398 E N 0.358 120.560 120.200 0.004 0.000 2.268 398 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 398 E C 1.801 178.402 176.600 0.001 0.000 0.995 398 E CA 1.590 57.992 56.400 0.002 0.000 0.836 398 E CB -0.249 29.452 29.700 0.002 0.000 0.763 398 E HN 0.856 nan 8.360 nan 0.000 0.491 399 E N -0.334 119.867 120.200 0.002 0.000 2.112 399 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 399 E C 0.924 177.524 176.600 0.001 0.000 0.979 399 E CA 1.351 57.751 56.400 0.001 0.000 0.814 399 E CB 0.048 29.749 29.700 0.003 0.000 0.762 399 E HN 0.267 nan 8.360 nan 0.000 0.460 400 D N 0.107 120.511 120.400 0.007 0.000 2.234 400 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 400 D C 1.474 177.778 176.300 0.007 0.000 0.962 400 D CA 0.703 54.711 54.000 0.013 0.000 0.855 400 D CB 0.097 40.910 40.800 0.023 0.000 0.951 400 D HN 0.067 nan 8.370 nan 0.000 0.500 401 K N -0.089 120.312 120.400 0.001 0.000 2.209 401 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 401 K C 1.603 178.185 176.600 -0.029 0.000 1.048 401 K CA 0.404 56.686 56.287 -0.009 0.000 0.940 401 K CB 0.037 32.535 32.500 -0.004 0.000 0.729 401 K HN 0.095 nan 8.250 nan 0.000 0.451 402 L N 0.668 121.876 121.223 -0.026 0.000 2.162 402 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 402 L C 1.912 178.748 176.870 -0.058 0.000 1.086 402 L CA 1.781 56.599 54.840 -0.037 0.000 0.778 402 L CB -0.498 41.549 42.059 -0.021 0.000 0.928 402 L HN 0.002 nan 8.230 nan 0.000 0.446 403 T N -1.086 113.441 114.554 -0.045 0.000 2.746 403 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 403 T C 1.972 176.592 174.700 -0.133 0.000 1.039 403 T CA 1.640 63.709 62.100 -0.053 0.000 1.142 403 T CB -0.219 68.647 68.868 -0.004 0.000 0.866 403 T HN 0.164 nan 8.240 nan 0.000 0.444 404 V N 1.027 120.854 119.914 -0.145 0.000 2.358 404 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 404 V C 2.695 178.574 176.094 -0.358 0.000 1.047 404 V CA 1.662 63.766 62.300 -0.327 0.000 1.035 404 V CB -0.679 31.065 31.823 -0.131 0.000 0.658 404 V HN 0.411 nan 8.190 nan 0.000 0.452 405 S N -0.544 115.039 115.700 -0.196 0.000 2.348 405 S HA -0.181 4.289 4.470 -0.000 0.000 0.221 405 S C 2.127 176.611 174.600 -0.194 0.000 1.033 405 S CA 1.545 59.648 58.200 -0.162 0.000 1.010 405 S CB -0.266 62.879 63.200 -0.091 0.000 0.891 405 S HN 0.511 nan 8.310 nan 0.000 0.442 406 R N 0.779 121.177 120.500 -0.170 0.000 2.115 406 R HA 0.036 4.375 4.340 -0.000 0.000 0.230 406 R C 2.411 178.598 176.300 -0.189 0.000 1.111 406 R CA 1.126 57.126 56.100 -0.167 0.000 0.976 406 R CB -0.334 29.905 30.300 -0.102 0.000 0.870 406 R HN 0.385 nan 8.270 nan 0.000 0.445 407 A N 0.972 123.651 122.820 -0.235 0.000 1.929 407 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 407 A C 1.991 179.425 177.584 -0.250 0.000 1.176 407 A CA 0.820 52.717 52.037 -0.234 0.000 0.628 407 A CB -0.174 18.635 19.000 -0.319 0.000 0.816 407 A HN 0.173 nan 8.150 nan 0.000 0.444 408 R N -0.164 120.125 120.500 -0.351 0.000 2.115 408 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 408 R C 1.970 178.187 176.300 -0.138 0.000 1.111 408 R CA 1.495 57.467 56.100 -0.214 0.000 0.976 408 R CB -0.174 30.002 30.300 -0.206 0.000 0.870 408 R HN 0.480 nan 8.270 nan 0.000 0.445 409 K N 0.262 120.513 120.400 -0.248 0.000 2.116 409 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 409 K C 1.964 178.356 176.600 -0.346 0.000 1.052 409 K CA 0.873 56.883 56.287 -0.461 0.000 0.952 409 K CB 0.047 31.994 32.500 -0.921 0.000 0.729 409 K HN 0.093 nan 8.250 nan 0.000 0.446 410 I N 1.433 121.903 120.570 -0.167 0.000 2.252 410 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 410 I C 2.458 178.704 176.117 0.214 0.000 1.102 410 I CA 1.266 62.629 61.300 0.106 0.000 1.385 410 I CB -0.072 38.013 38.000 0.142 0.000 1.064 410 I HN 0.221 nan 8.210 nan 0.000 0.414 411 Q N 0.254 120.118 119.800 0.106 0.000 2.030 411 Q HA -0.263 4.076 4.340 -0.000 0.000 0.204 411 Q C 2.383 178.476 176.000 0.155 0.000 0.986 411 Q CA 1.822 57.700 55.803 0.125 0.000 0.843 411 Q CB -0.123 28.677 28.738 0.102 0.000 0.904 411 Q HN 0.396 nan 8.270 nan 0.000 0.420 412 R N -0.716 119.875 120.500 0.152 0.000 2.115 412 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 412 R C 1.902 178.368 176.300 0.277 0.000 1.111 412 R CA 0.991 57.230 56.100 0.233 0.000 0.976 412 R CB -0.167 30.291 30.300 0.262 0.000 0.870 412 R HN 0.189 nan 8.270 nan 0.000 0.445 413 F N 0.635 120.638 119.950 0.087 0.000 2.407 413 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 413 F C 1.389 177.293 175.800 0.174 0.000 1.097 413 F CA 0.836 58.863 58.000 0.046 0.000 1.422 413 F CB 0.112 38.980 39.000 -0.221 0.000 1.067 413 F HN -0.080 nan 8.300 nan 0.000 0.539 414 L N -0.237 121.152 121.223 0.277 0.000 2.465 414 L HA -0.050 4.290 4.340 -0.000 0.000 0.224 414 L C 1.447 178.338 176.870 0.035 0.000 1.145 414 L CA 0.387 55.350 54.840 0.207 0.000 0.834 414 L CB -0.850 41.313 42.059 0.173 0.000 0.944 414 L HN 0.137 nan 8.230 nan 0.000 0.451 415 S N -0.413 115.291 115.700 0.006 0.000 2.603 415 S HA 0.366 4.836 4.470 -0.000 0.000 0.268 415 S C -0.329 174.191 174.600 -0.133 0.000 1.317 415 S CA -0.490 57.673 58.200 -0.062 0.000 1.012 415 S CB 1.885 65.046 63.200 -0.064 0.000 0.926 415 S HN 0.275 nan 8.310 nan 0.000 0.539 416 Q N 0.549 120.256 119.800 -0.155 0.000 2.403 416 Q HA 0.405 4.745 4.340 -0.000 0.000 0.267 416 Q C -3.122 172.809 176.000 -0.116 0.000 0.991 416 Q CA -1.801 53.940 55.803 -0.103 0.000 0.906 416 Q CB 2.305 31.066 28.738 0.039 0.000 1.422 416 Q HN 0.565 nan 8.270 nan 0.000 0.400 417 P HA 0.220 nan 4.420 nan 0.000 0.280 417 P C -1.079 176.391 177.300 0.283 0.000 1.244 417 P CA 0.184 63.311 63.100 0.045 0.000 0.784 417 P CB 0.386 32.116 31.700 0.049 0.000 0.913 418 F N 1.302 121.267 119.950 0.025 0.000 2.422 418 F HA 0.182 4.709 4.527 -0.000 0.000 0.333 418 F C 2.114 177.930 175.800 0.028 0.000 1.095 418 F CA -0.785 57.230 58.000 0.025 0.000 1.038 418 F CB 1.771 40.790 39.000 0.032 0.000 1.156 418 F HN 0.304 nan 8.300 nan 0.000 0.483 419 Q N 1.186 121.080 119.800 0.156 0.000 2.112 419 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 419 Q C 1.984 178.035 176.000 0.085 0.000 0.987 419 Q CA 1.968 57.817 55.803 0.077 0.000 0.858 419 Q CB -0.154 28.591 28.738 0.011 0.000 0.905 419 Q HN 0.676 nan 8.270 nan 0.000 0.420 420 V N -3.450 116.530 119.914 0.110 0.000 3.461 420 V HA 0.227 4.347 4.120 -0.000 0.000 0.267 420 V C 1.324 177.521 176.094 0.171 0.000 1.186 420 V CA 1.126 63.491 62.300 0.108 0.000 1.154 420 V CB -0.296 31.582 31.823 0.092 0.000 0.802 420 V HN 0.228 nan 8.190 nan 0.000 0.474 421 A N -0.277 122.673 122.820 0.216 0.000 2.465 421 A HA 0.341 4.661 4.320 -0.000 0.000 0.255 421 A C 1.710 179.394 177.584 0.166 0.000 1.274 421 A CA 0.174 52.372 52.037 0.269 0.000 0.920 421 A CB -0.269 18.853 19.000 0.204 0.000 1.033 421 A HN 0.539 nan 8.150 nan 0.000 0.516 422 E N -0.421 119.822 120.200 0.071 0.000 2.204 422 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 422 E C 1.502 178.049 176.600 -0.088 0.000 0.990 422 E CA 0.987 57.390 56.400 0.006 0.000 0.821 422 E CB -0.098 29.603 29.700 0.002 0.000 0.750 422 E HN 0.361 nan 8.360 nan 0.000 0.477 423 V N 0.205 119.997 119.914 -0.204 0.000 2.720 423 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 423 V C 1.224 176.989 176.094 -0.548 0.000 1.082 423 V CA 1.632 63.671 62.300 -0.435 0.000 1.101 423 V CB -0.269 31.178 31.823 -0.627 0.000 0.693 423 V HN 0.248 nan 8.190 nan 0.000 0.479 424 F N -0.892 119.028 119.950 -0.051 0.000 2.602 424 F HA 0.041 4.568 4.527 -0.000 0.000 0.284 424 F C 2.428 178.183 175.800 -0.074 0.000 1.111 424 F CA 0.895 58.857 58.000 -0.063 0.000 1.405 424 F CB -0.414 38.532 39.000 -0.090 0.000 1.121 424 F HN 0.197 nan 8.300 nan 0.000 0.603 425 T N -3.162 111.439 114.554 0.078 0.000 2.953 425 T HA 0.327 4.677 4.350 -0.000 0.000 0.247 425 T C 1.905 176.462 174.700 -0.238 0.000 1.029 425 T CA 0.804 62.895 62.100 -0.016 0.000 1.144 425 T CB -0.354 68.548 68.868 0.058 0.000 0.870 425 T HN 0.376 nan 8.240 nan 0.000 0.446 426 G N 1.351 110.032 108.800 -0.198 0.000 2.137 426 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.237 426 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.237 426 G C -0.157 174.546 174.900 -0.330 0.000 1.002 426 G CA 0.274 45.220 45.100 -0.257 0.000 0.702 426 G HN 0.903 nan 8.290 nan 0.000 0.515 427 H N -1.755 117.327 119.070 0.020 0.000 2.690 427 H HA 0.611 5.166 4.556 -0.000 0.000 0.368 427 H C -0.279 175.059 175.328 0.016 0.000 1.150 427 H CA -1.279 54.777 56.048 0.014 0.000 1.174 427 H CB 1.777 31.543 29.762 0.006 0.000 1.684 427 H HN 0.122 nan 8.280 nan 0.000 0.538 428 L N 2.055 123.369 121.223 0.152 0.000 2.410 428 L HA 0.223 4.563 4.340 -0.000 0.000 0.273 428 L C 0.926 177.847 176.870 0.085 0.000 1.152 428 L CA 0.408 55.299 54.840 0.086 0.000 0.855 428 L CB 0.408 42.501 42.059 0.057 0.000 1.129 428 L HN 0.851 nan 8.230 nan 0.000 0.463 429 G N 4.300 113.149 108.800 0.082 0.000 2.491 429 G HA2 0.267 4.227 3.960 -0.000 0.000 0.238 429 G HA3 0.267 4.227 3.960 -0.000 0.000 0.238 429 G C -0.456 174.486 174.900 0.069 0.000 1.277 429 G CA -0.492 44.667 45.100 0.099 0.000 0.851 429 G HN 0.479 nan 8.290 nan 0.000 0.573 430 K N 0.770 121.219 120.400 0.083 0.000 2.371 430 K HA 0.435 4.755 4.320 -0.000 0.000 0.251 430 K C -1.321 175.303 176.600 0.040 0.000 0.934 430 K CA -0.915 55.401 56.287 0.048 0.000 0.798 430 K CB 2.723 35.241 32.500 0.030 0.000 1.204 430 K HN 0.333 nan 8.250 nan 0.000 0.427 431 L N 2.355 123.587 121.223 0.016 0.000 2.319 431 L HA 0.384 4.723 4.340 -0.000 0.000 0.281 431 L C -1.298 175.577 176.870 0.008 0.000 1.005 431 L CA -0.674 54.167 54.840 0.002 0.000 0.828 431 L CB 1.670 43.724 42.059 -0.008 0.000 1.227 431 L HN 0.295 nan 8.230 nan 0.000 0.415 432 V N 6.584 126.503 119.914 0.008 0.000 2.357 432 V HA 0.474 4.594 4.120 -0.000 0.000 0.284 432 V C -2.056 174.050 176.094 0.020 0.000 1.018 432 V CA -1.722 60.587 62.300 0.014 0.000 0.841 432 V CB 1.101 32.926 31.823 0.004 0.000 0.991 432 V HN 0.676 nan 8.190 nan 0.000 0.437 433 P HA 0.028 nan 4.420 nan 0.000 0.267 433 P C 0.767 178.089 177.300 0.036 0.000 1.200 433 P CA -0.207 62.911 63.100 0.030 0.000 0.772 433 P CB 0.720 32.440 31.700 0.033 0.000 0.855 434 L N 4.704 125.947 121.223 0.034 0.000 2.042 434 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 434 L C 2.123 179.006 176.870 0.022 0.000 1.076 434 L CA 1.989 56.844 54.840 0.026 0.000 0.749 434 L CB -1.133 40.955 42.059 0.047 0.000 0.893 434 L HN 0.385 nan 8.230 nan 0.000 0.432 435 K N -1.095 119.328 120.400 0.038 0.000 2.152 435 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 435 K C 1.806 178.442 176.600 0.060 0.000 1.048 435 K CA 1.961 58.275 56.287 0.045 0.000 0.933 435 K CB -0.541 31.987 32.500 0.047 0.000 0.721 435 K HN 0.476 nan 8.250 nan 0.000 0.447 436 E N 0.549 120.789 120.200 0.068 0.000 2.158 436 E HA -0.053 4.296 4.350 -0.000 0.000 0.191 436 E C 1.765 178.451 176.600 0.144 0.000 0.982 436 E CA 1.307 57.763 56.400 0.093 0.000 0.823 436 E CB 0.110 29.858 29.700 0.080 0.000 0.766 436 E HN 0.376 nan 8.360 nan 0.000 0.468 437 T N 1.576 116.213 114.554 0.138 0.000 2.737 437 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 437 T C 1.824 176.703 174.700 0.298 0.000 1.038 437 T CA 0.706 62.948 62.100 0.237 0.000 1.144 437 T CB -0.022 68.933 68.868 0.145 0.000 0.866 437 T HN 0.050 nan 8.240 nan 0.000 0.434 438 I N 1.512 122.150 120.570 0.115 0.000 2.113 438 I HA -0.123 4.047 4.170 -0.000 0.000 0.238 438 I C 2.452 178.657 176.117 0.148 0.000 1.070 438 I CA 1.526 62.869 61.300 0.073 0.000 1.332 438 I CB -1.128 36.855 38.000 -0.029 0.000 1.044 438 I HN 0.247 nan 8.210 nan 0.000 0.402 439 K N 0.767 121.240 120.400 0.122 0.000 2.063 439 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 439 K C 2.173 178.852 176.600 0.131 0.000 1.048 439 K CA 1.717 58.072 56.287 0.113 0.000 0.928 439 K CB -0.459 32.096 32.500 0.091 0.000 0.713 439 K HN 0.373 nan 8.250 nan 0.000 0.442 440 G N 0.342 109.233 108.800 0.152 0.000 2.459 440 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 440 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 440 G C 1.280 176.151 174.900 -0.049 0.000 1.183 440 G CA 0.940 46.071 45.100 0.051 0.000 0.776 440 G HN 0.296 nan 8.290 nan 0.000 0.552 441 F N 0.544 120.593 119.950 0.165 0.000 2.186 441 F HA 0.017 4.544 4.527 -0.000 0.000 0.299 441 F C 2.919 178.751 175.800 0.053 0.000 1.090 441 F CA 1.481 59.548 58.000 0.112 0.000 1.307 441 F CB -0.178 38.898 39.000 0.127 0.000 1.019 441 F HN 0.166 nan 8.300 nan 0.000 0.489 442 Q N 0.208 120.143 119.800 0.225 0.000 2.170 442 Q HA -0.247 4.093 4.340 -0.000 0.000 0.203 442 Q C 2.033 178.088 176.000 0.091 0.000 0.976 442 Q CA 1.594 57.477 55.803 0.133 0.000 0.858 442 Q CB -0.044 28.759 28.738 0.108 0.000 0.907 442 Q HN 0.515 nan 8.270 nan 0.000 0.433 443 Q N -0.188 119.668 119.800 0.094 0.000 2.083 443 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 443 Q C 2.101 178.147 176.000 0.076 0.000 0.969 443 Q CA 1.225 57.072 55.803 0.073 0.000 0.838 443 Q CB 0.050 28.876 28.738 0.147 0.000 0.900 443 Q HN 0.451 nan 8.270 nan 0.000 0.436 444 I N 0.724 121.346 120.570 0.088 0.000 2.179 444 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 444 I C 2.180 178.302 176.117 0.009 0.000 1.088 444 I CA 1.092 62.407 61.300 0.026 0.000 1.357 444 I CB -0.337 37.576 38.000 -0.145 0.000 1.051 444 I HN 0.200 nan 8.210 nan 0.000 0.409 445 L N 0.734 121.983 121.223 0.043 0.000 2.081 445 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 445 L C 2.660 179.540 176.870 0.016 0.000 1.080 445 L CA 1.429 56.290 54.840 0.035 0.000 0.754 445 L CB -0.653 41.441 42.059 0.059 0.000 0.893 445 L HN 0.294 nan 8.230 nan 0.000 0.433 446 A N -0.690 122.138 122.820 0.014 0.000 2.206 446 A HA 0.181 4.501 4.320 -0.000 0.000 0.211 446 A C 1.754 179.328 177.584 -0.016 0.000 1.158 446 A CA 0.872 52.907 52.037 -0.002 0.000 0.761 446 A CB -0.463 18.532 19.000 -0.008 0.000 0.801 446 A HN 0.567 nan 8.150 nan 0.000 0.473 447 G N -0.727 108.064 108.800 -0.015 0.000 2.136 447 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.242 447 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.242 447 G C 0.462 175.346 174.900 -0.028 0.000 0.989 447 G CA 0.600 45.693 45.100 -0.013 0.000 0.682 447 G HN 0.588 nan 8.290 nan 0.000 0.522 448 E N -1.210 118.933 120.200 -0.096 0.000 2.338 448 E HA 0.020 4.370 4.350 -0.000 0.000 0.197 448 E C 0.762 177.129 176.600 -0.389 0.000 1.007 448 E CA 0.736 56.976 56.400 -0.266 0.000 0.849 448 E CB -0.018 29.436 29.700 -0.409 0.000 0.774 448 E HN 0.788 nan 8.360 nan 0.000 0.506 449 Y N -0.661 119.664 120.300 0.041 0.000 2.715 449 Y HA 0.121 4.671 4.550 -0.000 0.000 0.255 449 Y C 0.606 176.435 175.900 -0.118 0.000 1.139 449 Y CA -0.608 57.444 58.100 -0.081 0.000 1.151 449 Y CB 0.746 39.206 38.460 -0.001 0.000 1.201 449 Y HN -0.100 nan 8.280 nan 0.000 0.556 450 D N -0.020 120.441 120.400 0.102 0.000 2.384 450 D HA -0.145 4.495 4.640 -0.000 0.000 0.222 450 D C 1.855 178.212 176.300 0.095 0.000 0.976 450 D CA 1.190 55.235 54.000 0.075 0.000 0.915 450 D CB -0.025 40.814 40.800 0.066 0.000 0.896 450 D HN 0.637 nan 8.370 nan 0.000 0.523 451 H N -1.083 118.041 119.070 0.089 0.000 2.563 451 H HA 0.156 4.712 4.556 -0.000 0.000 0.264 451 H C 0.772 176.151 175.328 0.084 0.000 0.957 451 H CA -0.128 55.960 56.048 0.068 0.000 1.173 451 H CB 0.028 29.816 29.762 0.044 0.000 1.420 451 H HN 0.060 nan 8.280 nan 0.000 0.551 452 L N 3.347 124.443 121.223 -0.212 0.000 2.375 452 L HA 0.314 4.654 4.340 -0.000 0.000 0.271 452 L C -1.908 174.992 176.870 0.050 0.000 1.107 452 L CA -2.122 52.657 54.840 -0.103 0.000 0.806 452 L CB 0.799 42.727 42.059 -0.218 0.000 1.146 452 L HN 0.024 nan 8.230 nan 0.000 0.447 453 P HA 0.084 nan 4.420 nan 0.000 0.272 453 P C -0.113 177.284 177.300 0.161 0.000 1.230 453 P CA -0.312 62.826 63.100 0.065 0.000 0.788 453 P CB 0.833 32.547 31.700 0.024 0.000 0.949 454 E N 0.645 120.933 120.200 0.147 0.000 2.058 454 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 454 E C 1.874 178.629 176.600 0.258 0.000 0.997 454 E CA 1.184 57.707 56.400 0.205 0.000 0.801 454 E CB -0.241 29.503 29.700 0.074 0.000 0.746 454 E HN 0.537 nan 8.360 nan 0.000 0.450 455 Q N 0.528 120.403 119.800 0.126 0.000 2.437 455 Q HA -0.020 4.320 4.340 -0.000 0.000 0.210 455 Q C 1.900 177.959 176.000 0.098 0.000 0.972 455 Q CA 1.213 57.076 55.803 0.099 0.000 0.903 455 Q CB -0.178 28.578 28.738 0.029 0.000 0.967 455 Q HN 0.238 nan 8.270 nan 0.000 0.486 456 A N 0.291 123.116 122.820 0.008 0.000 2.119 456 A HA 0.039 4.358 4.320 -0.000 0.000 0.217 456 A C 1.310 178.741 177.584 -0.256 0.000 1.153 456 A CA 0.350 52.280 52.037 -0.179 0.000 0.692 456 A CB -0.505 18.278 19.000 -0.363 0.000 0.799 456 A HN 0.289 nan 8.150 nan 0.000 0.458 457 F N -2.405 117.558 119.950 0.021 0.000 2.765 457 F HA 0.194 4.721 4.527 -0.000 0.000 0.302 457 F C 0.664 176.560 175.800 0.160 0.000 1.111 457 F CA -0.229 57.815 58.000 0.074 0.000 1.359 457 F CB -0.093 38.931 39.000 0.040 0.000 1.097 457 F HN 0.288 nan 8.300 nan 0.000 0.577 458 Y N 1.488 121.874 120.300 0.145 0.000 2.335 458 Y HA 0.295 4.845 4.550 -0.000 0.000 0.331 458 Y C 0.651 176.561 175.900 0.018 0.000 1.094 458 Y CA -1.563 56.588 58.100 0.085 0.000 1.253 458 Y CB 0.308 38.804 38.460 0.061 0.000 1.203 458 Y HN 0.036 nan 8.280 nan 0.000 0.508 459 M N 5.952 125.203 119.600 -0.581 0.000 2.350 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.190 459 M C -1.176 174.962 176.300 -0.271 0.000 0.710 459 M CA 0.981 55.973 55.300 -0.513 0.000 0.495 459 M CB -2.692 29.493 32.600 -0.691 0.000 1.136 459 M HN 0.442 nan 8.290 nan 0.000 0.901 460 V N -3.137 116.683 119.914 -0.156 0.000 3.158 460 V HA 1.087 5.207 4.120 -0.000 0.000 0.311 460 V C 0.701 176.745 176.094 -0.083 0.000 1.181 460 V CA -0.156 62.090 62.300 -0.089 0.000 1.054 460 V CB 1.611 33.422 31.823 -0.021 0.000 1.085 460 V HN 0.414 nan 8.190 nan 0.000 0.446 461 G N 0.074 108.851 108.800 -0.040 0.000 2.964 461 G HA2 0.473 4.433 3.960 -0.000 0.000 0.191 461 G HA3 0.473 4.433 3.960 -0.000 0.000 0.191 461 G C -2.182 172.714 174.900 -0.006 0.000 1.978 461 G CA -0.227 44.849 45.100 -0.040 0.000 0.861 461 G HN 0.778 nan 8.290 nan 0.000 0.584 462 P HA 0.166 nan 4.420 nan 0.000 0.274 462 P C 0.667 178.101 177.300 0.222 0.000 1.256 462 P CA -0.545 62.644 63.100 0.148 0.000 0.795 462 P CB 1.556 33.303 31.700 0.078 0.000 1.038 463 I N 0.766 121.452 120.570 0.194 0.000 2.361 463 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 463 I C 1.855 177.840 176.117 -0.220 0.000 1.133 463 I CA 1.732 62.945 61.300 -0.145 0.000 1.413 463 I CB -0.783 37.016 38.000 -0.335 0.000 1.073 463 I HN 0.271 nan 8.210 nan 0.000 0.424 464 E N 0.407 120.554 120.200 -0.088 0.000 2.265 464 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 464 E C 1.990 178.528 176.600 -0.104 0.000 0.996 464 E CA 1.190 57.541 56.400 -0.081 0.000 0.832 464 E CB -0.209 29.479 29.700 -0.019 0.000 0.756 464 E HN 0.588 nan 8.360 nan 0.000 0.491 465 E N -0.113 120.036 120.200 -0.085 0.000 2.285 465 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 465 E C 1.906 178.409 176.600 -0.161 0.000 0.997 465 E CA 0.586 56.933 56.400 -0.088 0.000 0.845 465 E CB 0.020 29.695 29.700 -0.042 0.000 0.782 465 E HN 0.288 nan 8.360 nan 0.000 0.491 466 A N 0.905 123.565 122.820 -0.266 0.000 1.872 466 A HA -0.118 4.201 4.320 -0.000 0.000 0.214 466 A C 2.467 179.763 177.584 -0.480 0.000 1.187 466 A CA 0.941 52.682 52.037 -0.494 0.000 0.614 466 A CB -0.621 17.835 19.000 -0.906 0.000 0.826 466 A HN 0.105 nan 8.150 nan 0.000 0.442 467 V N 0.164 119.826 119.914 -0.419 0.000 2.332 467 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 467 V C 3.004 179.009 176.094 -0.148 0.000 1.055 467 V CA 2.079 64.233 62.300 -0.245 0.000 1.038 467 V CB -1.397 30.355 31.823 -0.118 0.000 0.651 467 V HN 0.608 nan 8.190 nan 0.000 0.450 468 A N -0.365 122.376 122.820 -0.131 0.000 1.898 468 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 468 A C 2.361 179.891 177.584 -0.090 0.000 1.181 468 A CA 1.971 53.957 52.037 -0.085 0.000 0.620 468 A CB -0.456 18.504 19.000 -0.066 0.000 0.819 468 A HN 0.508 nan 8.150 nan 0.000 0.442 469 K N -0.341 119.984 120.400 -0.125 0.000 2.211 469 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 469 K C 2.013 178.548 176.600 -0.108 0.000 1.050 469 K CA 0.976 57.197 56.287 -0.111 0.000 0.945 469 K CB -0.242 32.181 32.500 -0.128 0.000 0.732 469 K HN 0.388 nan 8.250 nan 0.000 0.451 470 A N 1.068 123.799 122.820 -0.149 0.000 1.968 470 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 470 A C 1.537 179.085 177.584 -0.059 0.000 1.169 470 A CA 1.550 53.515 52.037 -0.120 0.000 0.638 470 A CB -0.200 18.700 19.000 -0.167 0.000 0.812 470 A HN 0.320 nan 8.150 nan 0.000 0.446 471 D N -0.951 119.419 120.400 -0.050 0.000 2.347 471 D HA -0.043 4.597 4.640 -0.000 0.000 0.215 471 D C 1.669 177.958 176.300 -0.019 0.000 0.976 471 D CA 0.742 54.728 54.000 -0.023 0.000 0.884 471 D CB 0.134 40.924 40.800 -0.017 0.000 0.915 471 D HN 0.331 nan 8.370 nan 0.000 0.526 472 K N 0.180 120.564 120.400 -0.027 0.000 2.283 472 K HA 0.022 4.341 4.320 -0.000 0.000 0.202 472 K C 0.467 177.062 176.600 -0.009 0.000 1.048 472 K CA 0.556 56.834 56.287 -0.016 0.000 0.948 472 K CB 0.161 32.650 32.500 -0.019 0.000 0.742 472 K HN 0.064 nan 8.250 nan 0.000 0.458 473 L N -0.189 121.028 121.223 -0.011 0.000 2.362 473 L HA 0.612 4.952 4.340 -0.000 0.000 0.271 473 L C -0.353 176.516 176.870 -0.002 0.000 1.002 473 L CA -1.149 53.688 54.840 -0.004 0.000 0.818 473 L CB 2.066 44.123 42.059 -0.004 0.000 1.298 473 L HN -0.122 nan 8.230 nan 0.000 0.420 474 A N 0.000 122.821 122.820 0.002 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.040 52.037 0.005 0.000 0.836 474 A CB 0.000 19.003 19.000 0.005 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486