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 2jj2_1_K DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.822 174.700 0.204 0.000 1.109 9 T CA 0.000 62.175 62.100 0.125 0.000 1.349 9 T CB 0.000 68.951 68.868 0.138 0.000 0.612 10 T N 1.306 115.941 114.554 0.136 0.000 2.824 10 T HA 0.783 5.133 4.350 0.000 0.000 0.280 10 T C 0.561 175.131 174.700 -0.216 0.000 0.995 10 T CA -0.381 61.728 62.100 0.016 0.000 1.009 10 T CB 1.504 70.355 68.868 -0.028 0.000 0.955 10 T HN 1.094 nan 8.240 nan 0.000 0.452 11 G N 1.569 109.989 108.800 -0.633 0.000 2.644 11 G HA2 0.766 4.726 3.960 0.000 0.000 0.307 11 G HA3 0.766 4.726 3.960 0.000 0.000 0.307 11 G C -1.190 173.363 174.900 -0.579 0.000 1.250 11 G CA -0.929 43.449 45.100 -1.203 0.000 0.996 11 G HN 0.571 nan 8.290 nan 0.000 0.489 12 R N -0.657 119.560 120.500 -0.470 0.000 2.574 12 R HA 0.370 4.710 4.340 0.000 0.000 0.288 12 R C -0.413 175.777 176.300 -0.183 0.000 1.004 12 R CA -0.700 55.253 56.100 -0.245 0.000 0.895 12 R CB 2.325 32.523 30.300 -0.170 0.000 1.191 12 R HN 0.418 nan 8.270 nan 0.000 0.444 13 I N 4.107 124.605 120.570 -0.120 0.000 2.587 13 I HA -0.069 4.101 4.170 0.000 0.000 0.284 13 I C 1.501 177.585 176.117 -0.056 0.000 1.134 13 I CA 0.153 61.410 61.300 -0.072 0.000 1.410 13 I CB 0.844 38.816 38.000 -0.047 0.000 1.392 13 I HN 0.568 nan 8.210 nan 0.000 0.545 14 V N 3.291 123.181 119.914 -0.041 0.000 3.212 14 V HA 0.498 4.618 4.120 0.000 0.000 0.244 14 V C 0.703 176.787 176.094 -0.017 0.000 1.151 14 V CA 0.422 62.704 62.300 -0.029 0.000 1.119 14 V CB 0.054 31.861 31.823 -0.025 0.000 0.838 14 V HN 0.705 nan 8.190 nan 0.000 0.470 15 A N -0.211 122.603 122.820 -0.011 0.000 2.515 15 A HA 0.829 5.149 4.320 0.000 0.000 0.298 15 A C -1.197 176.385 177.584 -0.003 0.000 1.059 15 A CA -0.448 51.585 52.037 -0.006 0.000 0.698 15 A CB 2.354 21.353 19.000 -0.001 0.000 1.289 15 A HN 0.500 nan 8.150 nan 0.000 0.404 16 V N 2.798 122.710 119.914 -0.003 0.000 2.488 16 V HA 0.423 4.543 4.120 0.000 0.000 0.293 16 V C -0.901 175.193 176.094 -0.001 0.000 1.027 16 V CA 0.022 62.321 62.300 -0.001 0.000 0.862 16 V CB 1.095 32.917 31.823 -0.003 0.000 1.008 16 V HN 0.706 nan 8.190 nan 0.000 0.428 17 I N 4.516 125.086 120.570 0.001 0.000 2.466 17 I HA 0.628 4.799 4.170 0.000 0.000 0.279 17 I C 1.148 177.265 176.117 -0.001 0.000 1.033 17 I CA -0.053 61.247 61.300 -0.000 0.000 1.123 17 I CB 1.374 39.374 38.000 -0.000 0.000 1.237 17 I HN 0.802 nan 8.210 nan 0.000 0.460 18 G N 4.804 113.603 108.800 -0.001 0.000 2.651 18 G HA2 -0.399 3.561 3.960 0.000 0.000 0.315 18 G HA3 -0.399 3.561 3.960 0.000 0.000 0.315 18 G C 0.999 175.899 174.900 -0.000 0.000 1.258 18 G CA 0.661 45.760 45.100 -0.001 0.000 1.002 18 G HN 0.804 nan 8.290 nan 0.000 0.551 19 A N -0.853 121.966 122.820 -0.001 0.000 2.168 19 A HA 0.502 4.822 4.320 0.000 0.000 0.215 19 A C 1.195 178.781 177.584 0.004 0.000 1.152 19 A CA 1.839 53.876 52.037 0.000 0.000 0.716 19 A CB -0.082 18.915 19.000 -0.004 0.000 0.794 19 A HN 1.379 nan 8.150 nan 0.000 0.465 20 V N 1.048 120.964 119.914 0.003 0.000 2.383 20 V HA 0.395 4.515 4.120 0.000 0.000 0.275 20 V C -0.514 175.586 176.094 0.010 0.000 1.036 20 V CA -0.383 61.922 62.300 0.007 0.000 0.889 20 V CB 1.283 33.109 31.823 0.005 0.000 0.985 20 V HN 0.092 nan 8.190 nan 0.000 0.459 21 V N 3.951 123.875 119.914 0.017 0.000 2.531 21 V HA 0.481 4.601 4.120 0.000 0.000 0.301 21 V C -0.791 175.318 176.094 0.026 0.000 1.034 21 V CA -0.819 61.491 62.300 0.017 0.000 0.865 21 V CB 2.086 33.920 31.823 0.017 0.000 0.995 21 V HN 0.795 nan 8.190 nan 0.000 0.424 22 D N 3.010 123.422 120.400 0.020 0.000 2.177 22 D HA 0.632 5.272 4.640 0.000 0.000 0.247 22 D C -0.585 175.727 176.300 0.020 0.000 1.063 22 D CA -0.065 53.951 54.000 0.028 0.000 0.867 22 D CB 2.201 43.012 40.800 0.019 0.000 1.168 22 D HN 0.277 nan 8.370 nan 0.000 0.445 23 V N 2.142 122.084 119.914 0.047 0.000 2.577 23 V HA 0.281 4.401 4.120 0.000 0.000 0.303 23 V C -0.216 175.896 176.094 0.030 0.000 1.042 23 V CA -0.901 61.403 62.300 0.006 0.000 0.872 23 V CB 1.901 33.756 31.823 0.054 0.000 0.998 23 V HN 0.395 nan 8.190 nan 0.000 0.423 24 Q N 2.824 122.568 119.800 -0.094 0.000 2.241 24 Q HA 0.637 4.977 4.340 0.000 0.000 0.254 24 Q C -1.863 174.010 176.000 -0.213 0.000 0.917 24 Q CA -0.454 55.319 55.803 -0.049 0.000 0.919 24 Q CB 1.369 30.076 28.738 -0.050 0.000 1.237 24 Q HN 0.635 nan 8.270 nan 0.000 0.434 25 F N 2.363 122.282 119.950 -0.052 0.000 2.477 25 F HA 0.225 4.752 4.527 0.000 0.000 0.335 25 F C 0.456 176.230 175.800 -0.043 0.000 1.130 25 F CA -0.702 57.269 58.000 -0.048 0.000 0.948 25 F CB 1.746 40.710 39.000 -0.061 0.000 1.154 25 F HN 0.628 nan 8.300 nan 0.000 0.439 26 D N 1.200 121.652 120.400 0.088 0.000 2.137 26 D HA -0.066 4.574 4.640 0.000 0.000 0.202 26 D C 1.395 177.733 176.300 0.063 0.000 0.970 26 D CA 1.237 55.268 54.000 0.051 0.000 0.837 26 D CB 0.372 41.180 40.800 0.012 0.000 0.981 26 D HN 0.487 nan 8.370 nan 0.000 0.475 27 E N 0.650 120.902 120.200 0.087 0.000 3.227 27 E HA 0.243 4.594 4.350 0.000 0.000 0.455 27 E C 1.142 177.777 176.600 0.059 0.000 0.292 27 E CA -0.141 56.297 56.400 0.064 0.000 2.635 27 E CB -1.047 28.688 29.700 0.058 0.000 2.232 27 E HN 0.018 nan 8.360 nan 0.000 0.443 28 G N 1.166 109.992 108.800 0.043 0.000 2.380 28 G HA2 0.350 4.310 3.960 0.000 0.000 0.262 28 G HA3 0.350 4.310 3.960 0.000 0.000 0.262 28 G C -0.656 174.172 174.900 -0.121 0.000 1.243 28 G CA -0.374 44.712 45.100 -0.023 0.000 0.865 28 G HN -0.012 nan 8.290 nan 0.000 0.513 29 L N 5.017 126.134 121.223 -0.177 0.000 2.281 29 L HA 0.382 4.722 4.340 0.000 0.000 0.285 29 L C -1.613 175.046 176.870 -0.352 0.000 1.074 29 L CA -2.071 52.553 54.840 -0.360 0.000 0.817 29 L CB 1.209 43.076 42.059 -0.320 0.000 1.168 29 L HN 0.337 nan 8.230 nan 0.000 0.434 30 P HA 0.213 nan 4.420 nan 0.000 0.271 30 P C -2.661 174.618 177.300 -0.035 0.000 1.220 30 P CA -1.294 61.620 63.100 -0.311 0.000 0.768 30 P CB 0.061 31.500 31.700 -0.435 0.000 0.848 31 P HA 0.082 nan 4.420 nan 0.000 0.268 31 P C 0.509 177.808 177.300 -0.001 0.000 1.208 31 P CA 0.091 63.210 63.100 0.031 0.000 0.777 31 P CB 0.309 31.986 31.700 -0.038 0.000 0.875 32 I N 2.889 123.387 120.570 -0.121 0.000 2.880 32 I HA -0.166 4.004 4.170 0.000 0.000 0.296 32 I C 1.445 177.484 176.117 -0.130 0.000 1.220 32 I CA 0.836 62.058 61.300 -0.130 0.000 1.435 32 I CB -0.320 37.557 38.000 -0.206 0.000 1.339 32 I HN 0.471 nan 8.210 nan 0.000 0.583 33 L N 1.678 122.816 121.223 -0.141 0.000 4.383 33 L HA -0.244 4.096 4.340 0.000 0.000 0.402 33 L C 0.273 177.072 176.870 -0.118 0.000 0.803 33 L CA 0.094 54.798 54.840 -0.227 0.000 2.175 33 L CB -1.459 40.376 42.059 -0.373 0.000 1.434 33 L HN 0.688 nan 8.230 nan 0.000 0.591 34 N N 1.208 119.870 118.700 -0.064 0.000 2.479 34 N HA 0.458 5.198 4.740 0.000 0.000 0.257 34 N C 0.254 175.765 175.510 0.002 0.000 1.232 34 N CA 0.950 53.983 53.050 -0.029 0.000 0.920 34 N CB 0.905 39.367 38.487 -0.042 0.000 1.105 34 N HN 0.298 nan 8.380 nan 0.000 0.444 35 A N 2.856 125.688 122.820 0.021 0.000 2.276 35 A HA 0.489 4.809 4.320 0.000 0.000 0.300 35 A C -0.249 177.361 177.584 0.044 0.000 1.235 35 A CA -0.525 51.536 52.037 0.040 0.000 0.867 35 A CB -0.102 18.927 19.000 0.048 0.000 1.137 35 A HN 0.619 nan 8.150 nan 0.000 0.527 36 L N 2.093 123.355 121.223 0.064 0.000 2.334 36 L HA 0.506 4.847 4.340 0.000 0.000 0.275 36 L C -0.066 176.848 176.870 0.073 0.000 1.036 36 L CA -0.741 54.156 54.840 0.094 0.000 0.807 36 L CB 1.427 43.581 42.059 0.157 0.000 1.231 36 L HN 0.575 nan 8.230 nan 0.000 0.438 37 E N 2.338 122.579 120.200 0.068 0.000 2.129 37 E HA 0.274 4.624 4.350 0.000 0.000 0.268 37 E C -0.872 175.750 176.600 0.035 0.000 0.900 37 E CA -0.591 55.836 56.400 0.044 0.000 0.755 37 E CB 2.390 32.110 29.700 0.034 0.000 1.117 37 E HN 0.211 nan 8.360 nan 0.000 0.410 38 V N 4.375 124.305 119.914 0.026 0.000 2.479 38 V HA -0.031 4.089 4.120 0.000 0.000 0.281 38 V C 0.689 176.786 176.094 0.004 0.000 1.031 38 V CA -0.257 62.049 62.300 0.011 0.000 1.038 38 V CB 0.580 32.408 31.823 0.009 0.000 0.981 38 V HN 0.462 nan 8.190 nan 0.000 0.478 39 Q N 2.722 122.519 119.800 -0.005 0.000 2.354 39 Q HA 0.393 4.733 4.340 0.000 0.000 0.244 39 Q C 1.136 177.131 176.000 -0.008 0.000 0.969 39 Q CA 0.594 56.393 55.803 -0.007 0.000 0.885 39 Q CB 1.092 29.822 28.738 -0.013 0.000 1.241 39 Q HN 1.159 nan 8.270 nan 0.000 0.461 40 G N 2.040 110.836 108.800 -0.006 0.000 2.256 40 G HA2 -0.215 3.745 3.960 0.000 0.000 0.272 40 G HA3 -0.215 3.745 3.960 0.000 0.000 0.272 40 G C -0.245 174.652 174.900 -0.004 0.000 1.076 40 G CA -0.115 44.981 45.100 -0.006 0.000 0.882 40 G HN 0.336 nan 8.290 nan 0.000 0.497 41 R N -0.604 119.895 120.500 -0.001 0.000 2.740 41 R HA 0.459 4.799 4.340 0.000 0.000 0.282 41 R C 0.928 177.229 176.300 0.002 0.000 0.969 41 R CA -0.501 55.599 56.100 0.001 0.000 0.918 41 R CB 1.325 31.627 30.300 0.004 0.000 1.175 41 R HN 0.361 nan 8.270 nan 0.000 0.464 42 E N 0.989 121.191 120.200 0.003 0.000 2.072 42 E HA -0.089 4.261 4.350 0.000 0.000 0.191 42 E C -0.116 176.487 176.600 0.005 0.000 0.985 42 E CA 1.215 57.617 56.400 0.003 0.000 0.801 42 E CB 0.336 30.038 29.700 0.003 0.000 0.750 42 E HN 0.645 nan 8.360 nan 0.000 0.452 43 T N -1.488 113.070 114.554 0.006 0.000 2.895 43 T HA 0.343 4.693 4.350 0.000 0.000 0.283 43 T C -0.123 174.584 174.700 0.011 0.000 1.014 43 T CA -0.954 61.152 62.100 0.009 0.000 1.037 43 T CB 1.761 70.635 68.868 0.009 0.000 1.006 43 T HN 0.039 nan 8.240 nan 0.000 0.468 44 R N 1.493 122.001 120.500 0.014 0.000 2.483 44 R HA 0.167 4.507 4.340 0.000 0.000 0.329 44 R C -0.855 175.457 176.300 0.020 0.000 0.961 44 R CA -0.446 55.664 56.100 0.018 0.000 1.041 44 R CB -0.307 30.006 30.300 0.022 0.000 0.930 44 R HN 0.563 nan 8.270 nan 0.000 0.413 45 L N 6.483 127.717 121.223 0.019 0.000 2.262 45 L HA 0.303 4.643 4.340 0.000 0.000 0.288 45 L C -1.038 175.848 176.870 0.027 0.000 1.035 45 L CA -0.375 54.478 54.840 0.021 0.000 0.820 45 L CB 1.614 43.683 42.059 0.016 0.000 1.204 45 L HN 0.290 nan 8.230 nan 0.000 0.424 46 V N 6.316 126.249 119.914 0.032 0.000 2.539 46 V HA 0.465 4.585 4.120 0.000 0.000 0.292 46 V C 0.070 176.190 176.094 0.042 0.000 1.045 46 V CA -0.575 61.749 62.300 0.040 0.000 0.945 46 V CB 1.639 33.488 31.823 0.044 0.000 0.993 46 V HN 0.590 nan 8.190 nan 0.000 0.464 47 L N 3.725 124.978 121.223 0.049 0.000 2.362 47 L HA 0.596 4.936 4.340 0.000 0.000 0.275 47 L C -0.102 176.801 176.870 0.055 0.000 0.998 47 L CA -0.388 54.483 54.840 0.052 0.000 0.820 47 L CB 1.937 44.031 42.059 0.058 0.000 1.270 47 L HN 0.612 nan 8.230 nan 0.000 0.415 48 E N 2.111 122.341 120.200 0.050 0.000 2.174 48 E HA 0.321 4.671 4.350 0.000 0.000 0.282 48 E C -0.971 175.647 176.600 0.030 0.000 0.992 48 E CA -0.784 55.642 56.400 0.043 0.000 0.803 48 E CB 1.817 31.550 29.700 0.056 0.000 1.090 48 E HN 0.342 nan 8.360 nan 0.000 0.396 49 V N 4.476 124.401 119.914 0.019 0.000 2.450 49 V HA 0.036 4.156 4.120 0.000 0.000 0.281 49 V C 0.928 177.023 176.094 0.003 0.000 1.019 49 V CA 0.759 63.076 62.300 0.028 0.000 1.062 49 V CB 0.572 32.413 31.823 0.031 0.000 0.979 49 V HN 0.868 nan 8.190 nan 0.000 0.477 50 A N 4.471 127.304 122.820 0.022 0.000 1.944 50 A HA 0.291 4.611 4.320 0.000 0.000 0.207 50 A C 0.788 178.373 177.584 0.002 0.000 1.265 50 A CA 0.344 52.381 52.037 0.001 0.000 0.712 50 A CB 0.285 19.290 19.000 0.008 0.000 0.915 50 A HN 0.755 nan 8.150 nan 0.000 0.470 51 Q N -1.178 118.651 119.800 0.049 0.000 2.456 51 Q HA 0.418 4.758 4.340 0.000 0.000 0.284 51 Q C -1.627 174.495 176.000 0.204 0.000 1.061 51 Q CA -0.564 55.277 55.803 0.062 0.000 0.799 51 Q CB 1.926 30.691 28.738 0.044 0.000 1.445 51 Q HN 0.620 nan 8.270 nan 0.000 0.411 52 H N 1.733 120.795 119.070 -0.013 0.000 2.597 52 H HA 0.236 4.792 4.556 0.000 0.000 0.303 52 H C 0.497 175.826 175.328 0.001 0.000 1.057 52 H CA -0.295 55.749 56.048 -0.007 0.000 1.261 52 H CB 0.998 30.749 29.762 -0.018 0.000 1.397 52 H HN 0.439 nan 8.280 nan 0.000 0.461 53 L N 2.817 124.101 121.223 0.102 0.000 2.395 53 L HA 0.137 4.477 4.340 0.000 0.000 0.218 53 L C 1.182 178.080 176.870 0.046 0.000 1.130 53 L CA 0.576 55.452 54.840 0.060 0.000 0.826 53 L CB -0.030 42.054 42.059 0.041 0.000 0.941 53 L HN 0.883 nan 8.230 nan 0.000 0.451 54 G N 0.039 108.864 108.800 0.042 0.000 2.612 54 G HA2 -0.148 3.812 3.960 0.000 0.000 0.686 54 G HA3 -0.148 3.812 3.960 0.000 0.000 0.686 54 G C -0.097 174.809 174.900 0.011 0.000 1.274 54 G CA -0.509 44.607 45.100 0.026 0.000 0.849 54 G HN 0.288 nan 8.290 nan 0.000 0.595 55 E N -0.773 119.432 120.200 0.008 0.000 2.297 55 E HA -0.199 4.151 4.350 0.000 0.000 0.228 55 E C 1.082 177.684 176.600 0.003 0.000 1.213 55 E CA 1.047 57.450 56.400 0.005 0.000 0.712 55 E CB -1.564 28.140 29.700 0.006 0.000 1.202 55 E HN 2.033 nan 8.360 nan 0.000 0.376 56 S N -2.259 113.437 115.700 -0.007 0.000 3.445 56 S HA -0.226 4.244 4.470 0.000 0.000 0.319 56 S C 0.189 174.803 174.600 0.024 0.000 1.209 56 S CA 1.530 59.728 58.200 -0.003 0.000 0.934 56 S CB -1.077 62.137 63.200 0.024 0.000 0.999 56 S HN 0.470 nan 8.310 nan 0.000 0.582 57 T N 1.748 116.305 114.554 0.005 0.000 2.792 57 T HA 0.594 4.944 4.350 0.000 0.000 0.280 57 T C 0.276 174.984 174.700 0.014 0.000 0.990 57 T CA -0.389 61.732 62.100 0.034 0.000 0.960 57 T CB 1.729 70.612 68.868 0.025 0.000 0.939 57 T HN 0.475 nan 8.240 nan 0.000 0.439 58 V N 1.679 121.627 119.914 0.056 0.000 2.612 58 V HA 0.707 4.827 4.120 0.000 0.000 0.301 58 V C 0.008 176.154 176.094 0.087 0.000 1.046 58 V CA -1.331 61.006 62.300 0.061 0.000 0.946 58 V CB 1.391 33.242 31.823 0.047 0.000 1.003 58 V HN 0.837 nan 8.190 nan 0.000 0.459 59 R N 2.534 123.084 120.500 0.083 0.000 2.312 59 R HA 0.662 5.002 4.340 0.000 0.000 0.311 59 R C -0.015 176.321 176.300 0.061 0.000 1.004 59 R CA 0.292 56.429 56.100 0.062 0.000 0.902 59 R CB 1.236 31.563 30.300 0.046 0.000 1.073 59 R HN 1.155 nan 8.270 nan 0.000 0.457 60 T N 2.342 116.928 114.554 0.053 0.000 2.908 60 T HA 0.538 4.888 4.350 0.000 0.000 0.290 60 T C 0.166 174.885 174.700 0.032 0.000 1.034 60 T CA -1.030 61.099 62.100 0.048 0.000 1.010 60 T CB 1.062 69.969 68.868 0.064 0.000 1.068 60 T HN 0.574 nan 8.240 nan 0.000 0.481 61 I N 0.275 120.861 120.570 0.028 0.000 2.412 61 I HA 0.829 4.999 4.170 0.000 0.000 0.296 61 I C 0.209 176.342 176.117 0.026 0.000 0.987 61 I CA -1.415 59.897 61.300 0.020 0.000 1.180 61 I CB 1.276 39.283 38.000 0.011 0.000 1.340 61 I HN 0.869 nan 8.210 nan 0.000 0.455 62 A N 6.489 129.322 122.820 0.021 0.000 2.322 62 A HA 0.567 4.887 4.320 0.000 0.000 0.269 62 A C 0.618 178.216 177.584 0.023 0.000 1.094 62 A CA -0.636 51.415 52.037 0.023 0.000 0.807 62 A CB 0.829 19.839 19.000 0.018 0.000 1.047 62 A HN 0.878 nan 8.150 nan 0.000 0.487 63 M N 0.656 120.272 119.600 0.028 0.000 2.428 63 M HA 0.214 4.694 4.480 0.000 0.000 0.239 63 M C -0.232 176.082 176.300 0.024 0.000 1.121 63 M CA 0.529 55.847 55.300 0.029 0.000 1.019 63 M CB -0.844 31.779 32.600 0.037 0.000 1.485 63 M HN 0.809 nan 8.290 nan 0.000 0.484 64 D N -1.249 119.164 120.400 0.020 0.000 2.692 64 D HA 0.439 5.079 4.640 0.000 0.000 0.303 64 D C -0.558 175.750 176.300 0.013 0.000 1.278 64 D CA -0.199 53.811 54.000 0.017 0.000 0.852 64 D CB 1.224 42.035 40.800 0.017 0.000 1.375 64 D HN 0.107 nan 8.370 nan 0.000 0.453 65 G N -0.809 107.998 108.800 0.011 0.000 2.432 65 G HA2 0.339 4.299 3.960 0.000 0.000 0.239 65 G HA3 0.339 4.299 3.960 0.000 0.000 0.239 65 G C 0.863 175.767 174.900 0.007 0.000 1.291 65 G CA 0.602 45.706 45.100 0.008 0.000 0.863 65 G HN 0.402 nan 8.290 nan 0.000 0.560 66 T N -1.209 113.348 114.554 0.005 0.000 3.069 66 T HA 0.130 4.480 4.350 0.000 0.000 0.252 66 T C 0.789 175.490 174.700 0.002 0.000 1.053 66 T CA 0.035 62.138 62.100 0.004 0.000 0.964 66 T CB 0.018 68.888 68.868 0.004 0.000 1.005 66 T HN 0.649 nan 8.240 nan 0.000 0.532 67 E N 1.916 122.118 120.200 0.002 0.000 2.442 67 E HA 0.274 4.624 4.350 0.000 0.000 0.262 67 E C 1.211 177.811 176.600 -0.000 0.000 1.004 67 E CA 0.750 57.151 56.400 0.001 0.000 0.928 67 E CB 0.088 29.789 29.700 0.001 0.000 0.937 67 E HN 0.460 nan 8.360 nan 0.000 0.446 68 G N 2.636 111.435 108.800 -0.002 0.000 2.241 68 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 68 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 68 G C 0.365 175.262 174.900 -0.005 0.000 0.998 68 G CA 0.189 45.287 45.100 -0.003 0.000 0.621 68 G HN 0.491 nan 8.290 nan 0.000 0.519 69 L N 1.028 122.248 121.223 -0.005 0.000 2.456 69 L HA 0.501 4.841 4.340 0.000 0.000 0.272 69 L C 0.518 177.382 176.870 -0.010 0.000 1.189 69 L CA -0.311 54.524 54.840 -0.008 0.000 0.846 69 L CB 1.234 43.289 42.059 -0.006 0.000 1.111 69 L HN 0.019 nan 8.230 nan 0.000 0.475 70 V N 3.208 123.113 119.914 -0.014 0.000 2.604 70 V HA 0.362 4.482 4.120 0.000 0.000 0.305 70 V C 0.088 176.169 176.094 -0.022 0.000 1.043 70 V CA -0.934 61.357 62.300 -0.016 0.000 0.888 70 V CB 1.899 33.712 31.823 -0.017 0.000 0.995 70 V HN 0.670 nan 8.190 nan 0.000 0.429 71 R N 2.364 122.851 120.500 -0.021 0.000 2.538 71 R HA 0.377 4.717 4.340 0.000 0.000 0.282 71 R C 1.339 177.619 176.300 -0.033 0.000 1.009 71 R CA 1.174 57.258 56.100 -0.026 0.000 1.063 71 R CB 0.060 30.347 30.300 -0.022 0.000 0.945 71 R HN 1.207 nan 8.270 nan 0.000 0.414 72 G N 1.707 110.481 108.800 -0.044 0.000 2.232 72 G HA2 -0.325 3.635 3.960 0.000 0.000 0.226 72 G HA3 -0.325 3.635 3.960 0.000 0.000 0.226 72 G C 0.226 175.091 174.900 -0.058 0.000 0.996 72 G CA -0.006 45.063 45.100 -0.052 0.000 0.626 72 G HN 0.603 nan 8.290 nan 0.000 0.509 73 Q N 1.373 121.143 119.800 -0.050 0.000 2.333 73 Q HA 0.356 4.696 4.340 0.000 0.000 0.299 73 Q C 0.388 176.347 176.000 -0.068 0.000 1.067 73 Q CA 0.431 56.205 55.803 -0.048 0.000 0.943 73 Q CB 0.284 29.002 28.738 -0.035 0.000 1.233 73 Q HN 0.484 nan 8.270 nan 0.000 0.401 74 K N 1.628 121.990 120.400 -0.063 0.000 2.237 74 K HA 0.368 4.688 4.320 0.000 0.000 0.270 74 K C -1.133 175.422 176.600 -0.074 0.000 1.015 74 K CA -0.424 55.814 56.287 -0.081 0.000 0.949 74 K CB 1.217 33.681 32.500 -0.060 0.000 0.976 74 K HN 0.318 nan 8.250 nan 0.000 0.472 75 V N 4.103 123.952 119.914 -0.108 0.000 2.668 75 V HA 0.283 4.403 4.120 0.000 0.000 0.304 75 V C -0.829 175.265 176.094 -0.001 0.000 1.071 75 V CA -0.824 61.441 62.300 -0.058 0.000 0.894 75 V CB 1.591 33.366 31.823 -0.079 0.000 1.008 75 V HN 0.595 nan 8.190 nan 0.000 0.425 76 L N 3.410 124.673 121.223 0.067 0.000 2.296 76 L HA 0.508 4.848 4.340 0.000 0.000 0.286 76 L C -0.143 176.820 176.870 0.154 0.000 1.023 76 L CA -0.559 54.347 54.840 0.111 0.000 0.812 76 L CB 1.664 43.757 42.059 0.057 0.000 1.223 76 L HN 0.612 nan 8.230 nan 0.000 0.421 77 D N 1.365 121.889 120.400 0.208 0.000 2.417 77 D HA -0.025 4.615 4.640 0.000 0.000 0.250 77 D C 1.126 177.456 176.300 0.049 0.000 1.166 77 D CA 0.136 54.199 54.000 0.104 0.000 0.881 77 D CB 1.343 42.155 40.800 0.021 0.000 1.164 77 D HN 0.550 nan 8.370 nan 0.000 0.467 78 S N 2.617 118.335 115.700 0.029 0.000 2.496 78 S HA 0.151 4.621 4.470 0.000 0.000 0.224 78 S C 1.691 176.289 174.600 -0.004 0.000 0.996 78 S CA 0.609 58.816 58.200 0.011 0.000 0.927 78 S CB 0.051 63.258 63.200 0.011 0.000 0.774 78 S HN 0.899 nan 8.310 nan 0.000 0.524 79 G N 0.383 109.176 108.800 -0.011 0.000 2.194 79 G HA2 0.072 4.032 3.960 0.000 0.000 0.236 79 G HA3 0.072 4.032 3.960 0.000 0.000 0.236 79 G C 0.140 175.029 174.900 -0.018 0.000 0.987 79 G CA -0.173 44.914 45.100 -0.021 0.000 0.635 79 G HN 1.474 nan 8.290 nan 0.000 0.520 80 A N -0.462 122.353 122.820 -0.009 0.000 2.569 80 A HA 0.955 5.275 4.320 0.000 0.000 0.290 80 A C -2.850 174.742 177.584 0.014 0.000 1.136 80 A CA -0.907 51.131 52.037 0.000 0.000 0.710 80 A CB 1.227 20.230 19.000 0.005 0.000 1.303 80 A HN 0.081 nan 8.150 nan 0.000 0.413 81 P HA 0.277 nan 4.420 nan 0.000 0.274 81 P C -0.407 176.945 177.300 0.087 0.000 1.264 81 P CA -0.244 62.894 63.100 0.063 0.000 0.795 81 P CB 0.193 31.959 31.700 0.110 0.000 1.064 82 I N 0.657 121.301 120.570 0.123 0.000 2.742 82 I HA -0.044 4.126 4.170 0.000 0.000 0.287 82 I C 1.071 177.248 176.117 0.099 0.000 1.186 82 I CA 0.842 62.203 61.300 0.102 0.000 1.417 82 I CB -0.201 37.859 38.000 0.100 0.000 1.377 82 I HN 0.106 nan 8.210 nan 0.000 0.556 83 R N 7.351 127.916 120.500 0.108 0.000 2.494 83 R HA 0.701 5.041 4.340 0.000 0.000 0.305 83 R C -0.709 175.723 176.300 0.219 0.000 0.959 83 R CA -0.792 55.398 56.100 0.150 0.000 0.864 83 R CB 1.875 32.270 30.300 0.159 0.000 1.159 83 R HN 0.574 nan 8.270 nan 0.000 0.446 84 I N -1.090 119.556 120.570 0.128 0.000 2.846 84 I HA 0.639 4.809 4.170 0.000 0.000 0.307 84 I C -2.619 173.299 176.117 -0.333 0.000 1.053 84 I CA -3.430 57.865 61.300 -0.008 0.000 1.050 84 I CB 2.052 40.012 38.000 -0.066 0.000 1.239 84 I HN 0.294 nan 8.210 nan 0.000 0.439 85 P HA 0.192 nan 4.420 nan 0.000 0.271 85 P C -0.821 176.121 177.300 -0.597 0.000 1.216 85 P CA -0.159 62.357 63.100 -0.973 0.000 0.771 85 P CB 0.882 32.145 31.700 -0.729 0.000 0.864 86 V N 0.514 120.034 119.914 -0.655 0.000 2.876 86 V HA 1.029 5.149 4.120 0.000 0.000 0.312 86 V C 0.042 175.483 176.094 -1.088 0.000 1.085 86 V CA -0.259 61.569 62.300 -0.787 0.000 0.945 86 V CB 1.442 32.816 31.823 -0.748 0.000 1.017 86 V HN 0.925 nan 8.190 nan 0.000 0.428 87 G N 3.409 111.485 108.800 -1.207 0.000 2.347 87 G HA2 0.198 4.158 3.960 0.000 0.000 0.341 87 G HA3 0.198 4.158 3.960 0.000 0.000 0.341 87 G C -2.591 172.182 174.900 -0.212 0.000 1.287 87 G CA 0.017 44.590 45.100 -0.878 0.000 0.984 87 G HN 0.618 nan 8.290 nan 0.000 0.526 88 P HA -0.090 nan 4.420 nan 0.000 0.218 88 P C 1.269 178.571 177.300 0.003 0.000 1.146 88 P CA 1.730 64.881 63.100 0.085 0.000 0.813 88 P CB 0.037 31.791 31.700 0.091 0.000 0.778 89 E N -0.326 119.846 120.200 -0.048 0.000 2.338 89 E HA -0.098 4.252 4.350 0.000 0.000 0.197 89 E C 1.803 178.367 176.600 -0.061 0.000 1.007 89 E CA 1.567 57.933 56.400 -0.057 0.000 0.849 89 E CB -1.367 28.282 29.700 -0.085 0.000 0.774 89 E HN 0.452 nan 8.360 nan 0.000 0.506 90 T N -1.044 113.469 114.554 -0.067 0.000 3.055 90 T HA 0.046 4.396 4.350 0.000 0.000 0.265 90 T C 1.182 175.896 174.700 0.023 0.000 1.111 90 T CA -0.045 62.031 62.100 -0.040 0.000 1.118 90 T CB -0.309 68.517 68.868 -0.070 0.000 0.909 90 T HN -0.033 nan 8.240 nan 0.000 0.501 91 L N 1.722 122.959 121.223 0.023 0.000 2.453 91 L HA 0.487 4.827 4.340 0.000 0.000 0.272 91 L C 1.762 178.643 176.870 0.019 0.000 1.182 91 L CA 0.662 55.498 54.840 -0.006 0.000 0.858 91 L CB 0.168 42.156 42.059 -0.117 0.000 1.120 91 L HN 0.485 nan 8.230 nan 0.000 0.474 92 G N 1.457 110.285 108.800 0.047 0.000 2.205 92 G HA2 -0.224 3.736 3.960 0.000 0.000 0.261 92 G HA3 -0.224 3.736 3.960 0.000 0.000 0.261 92 G C 0.424 175.385 174.900 0.102 0.000 0.980 92 G CA -0.261 44.882 45.100 0.070 0.000 0.632 92 G HN 0.466 nan 8.290 nan 0.000 0.533 93 R N -0.081 120.461 120.500 0.070 0.000 2.573 93 R HA 0.744 5.085 4.340 0.000 0.000 0.272 93 R C 0.276 176.603 176.300 0.044 0.000 1.009 93 R CA -0.967 55.162 56.100 0.048 0.000 1.059 93 R CB 0.687 30.993 30.300 0.010 0.000 1.112 93 R HN 0.317 nan 8.270 nan 0.000 0.517 94 I N 2.508 123.070 120.570 -0.014 0.000 2.362 94 I HA 0.367 4.537 4.170 0.000 0.000 0.289 94 I C 0.327 176.444 176.117 0.001 0.000 0.994 94 I CA -0.272 61.022 61.300 -0.011 0.000 1.158 94 I CB 1.216 39.126 38.000 -0.150 0.000 1.315 94 I HN 0.206 nan 8.210 nan 0.000 0.451 95 M N 5.128 124.749 119.600 0.036 0.000 2.654 95 M HA 0.433 4.913 4.480 0.000 0.000 0.310 95 M C -0.230 176.098 176.300 0.048 0.000 1.211 95 M CA -0.799 54.512 55.300 0.019 0.000 0.947 95 M CB 1.738 34.333 32.600 -0.007 0.000 1.647 95 M HN 0.601 nan 8.290 nan 0.000 0.481 96 N N -0.103 118.616 118.700 0.032 0.000 2.643 96 N HA 0.332 5.072 4.740 0.000 0.000 0.305 96 N C 0.551 176.076 175.510 0.026 0.000 1.283 96 N CA -0.823 52.252 53.050 0.042 0.000 0.946 96 N CB -0.272 38.237 38.487 0.037 0.000 1.149 96 N HN 0.422 nan 8.380 nan 0.000 0.600 97 V N -0.851 119.079 119.914 0.028 0.000 2.317 97 V HA -0.227 3.893 4.120 0.000 0.000 0.251 97 V C 1.768 177.873 176.094 0.018 0.000 1.065 97 V CA 2.223 64.534 62.300 0.019 0.000 1.049 97 V CB -1.343 30.497 31.823 0.027 0.000 0.651 97 V HN 0.775 nan 8.190 nan 0.000 0.450 98 I N -1.816 118.770 120.570 0.027 0.000 3.891 98 I HA 0.686 4.856 4.170 0.000 0.000 0.331 98 I C 1.320 177.462 176.117 0.042 0.000 1.406 98 I CA 0.484 61.807 61.300 0.039 0.000 1.139 98 I CB -0.051 37.976 38.000 0.045 0.000 1.056 98 I HN 0.332 nan 8.210 nan 0.000 0.399 99 G N 1.185 109.996 108.800 0.018 0.000 2.159 99 G HA2 -0.269 3.691 3.960 0.000 0.000 0.256 99 G HA3 -0.269 3.691 3.960 0.000 0.000 0.256 99 G C -0.080 174.823 174.900 0.006 0.000 0.977 99 G CA 0.065 45.163 45.100 -0.003 0.000 0.652 99 G HN 0.644 nan 8.290 nan 0.000 0.531 100 E N 1.802 122.014 120.200 0.021 0.000 2.354 100 E HA 0.344 4.694 4.350 0.000 0.000 0.269 100 E C -2.033 174.569 176.600 0.003 0.000 1.036 100 E CA -1.608 54.804 56.400 0.020 0.000 0.876 100 E CB 1.090 30.804 29.700 0.023 0.000 1.009 100 E HN 0.209 nan 8.360 nan 0.000 0.416 101 P HA -0.001 nan 4.420 nan 0.000 0.271 101 P C 0.014 177.302 177.300 -0.019 0.000 1.220 101 P CA 0.464 63.555 63.100 -0.015 0.000 0.768 101 P CB 0.297 31.989 31.700 -0.012 0.000 0.848 102 I N -0.383 120.164 120.570 -0.037 0.000 3.856 102 I HA 0.248 4.418 4.170 0.000 0.000 0.330 102 I C 0.081 176.138 176.117 -0.100 0.000 1.546 102 I CA -0.280 60.989 61.300 -0.053 0.000 1.132 102 I CB -0.137 37.838 38.000 -0.042 0.000 1.157 102 I HN 0.041 nan 8.210 nan 0.000 0.440 103 D N 0.212 120.553 120.400 -0.098 0.000 2.402 103 D HA 0.031 4.671 4.640 0.000 0.000 0.216 103 D C 0.411 176.684 176.300 -0.046 0.000 1.128 103 D CA -0.285 53.639 54.000 -0.126 0.000 0.833 103 D CB -0.154 40.557 40.800 -0.147 0.000 0.971 103 D HN 0.417 nan 8.370 nan 0.000 0.503 104 E N -0.052 120.130 120.200 -0.029 0.000 2.539 104 E HA -0.270 4.080 4.350 0.000 0.000 0.253 104 E C 0.232 176.836 176.600 0.006 0.000 1.145 104 E CA 0.293 56.689 56.400 -0.007 0.000 0.738 104 E CB -1.007 28.693 29.700 -0.001 0.000 1.308 104 E HN 0.427 nan 8.360 nan 0.000 0.409 105 R N -0.233 120.270 120.500 0.005 0.000 2.546 105 R HA 0.278 4.618 4.340 0.000 0.000 0.320 105 R C 0.829 177.135 176.300 0.011 0.000 1.021 105 R CA 0.287 56.396 56.100 0.015 0.000 1.088 105 R CB 1.161 31.476 30.300 0.024 0.000 1.278 105 R HN 0.314 nan 8.270 nan 0.000 0.557 106 G N 1.983 110.788 108.800 0.008 0.000 2.681 106 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 106 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 106 G C -2.545 172.360 174.900 0.009 0.000 1.353 106 G CA -1.239 43.867 45.100 0.009 0.000 0.872 106 G HN 0.033 nan 8.290 nan 0.000 0.557 107 P HA 0.390 nan 4.420 nan 0.000 0.268 107 P C 0.079 177.381 177.300 0.004 0.000 1.208 107 P CA -0.048 63.063 63.100 0.018 0.000 0.777 107 P CB 0.321 32.037 31.700 0.028 0.000 0.875 108 I N 3.018 123.584 120.570 -0.007 0.000 2.287 108 I HA 0.110 4.280 4.170 0.000 0.000 0.290 108 I C 0.980 177.068 176.117 -0.049 0.000 1.069 108 I CA -0.311 60.961 61.300 -0.047 0.000 1.237 108 I CB 0.390 38.333 38.000 -0.095 0.000 1.418 108 I HN 0.018 nan 8.210 nan 0.000 0.481 109 K N 5.593 125.975 120.400 -0.031 0.000 3.006 109 K HA 0.127 4.447 4.320 0.000 0.000 0.265 109 K C 0.428 177.010 176.600 -0.031 0.000 1.279 109 K CA -0.138 56.145 56.287 -0.006 0.000 1.229 109 K CB -0.655 31.848 32.500 0.006 0.000 1.555 109 K HN 0.616 nan 8.250 nan 0.000 0.300 110 T N -2.228 112.274 114.554 -0.087 0.000 2.904 110 T HA 0.246 4.596 4.350 0.000 0.000 0.290 110 T C 1.156 175.851 174.700 -0.009 0.000 1.018 110 T CA -0.650 61.370 62.100 -0.132 0.000 1.075 110 T CB 1.468 70.127 68.868 -0.349 0.000 0.986 110 T HN -0.020 nan 8.240 nan 0.000 0.523 111 K N 0.575 120.968 120.400 -0.011 0.000 2.103 111 K HA 0.044 4.365 4.320 0.000 0.000 0.204 111 K C 1.264 177.928 176.600 0.107 0.000 1.052 111 K CA 1.131 57.450 56.287 0.054 0.000 0.945 111 K CB 0.013 32.539 32.500 0.043 0.000 0.722 111 K HN 0.809 nan 8.250 nan 0.000 0.443 112 Q N -0.498 119.328 119.800 0.042 0.000 2.387 112 Q HA 0.388 4.728 4.340 0.000 0.000 0.273 112 Q C -0.961 175.075 176.000 0.061 0.000 1.089 112 Q CA -0.659 55.209 55.803 0.110 0.000 0.824 112 Q CB 1.393 30.167 28.738 0.060 0.000 1.367 112 Q HN -0.108 nan 8.270 nan 0.000 0.443 113 F N -0.068 119.838 119.950 -0.072 0.000 2.579 113 F HA 0.817 5.344 4.527 0.000 0.000 0.324 113 F C -0.326 175.441 175.800 -0.054 0.000 1.058 113 F CA -0.743 57.211 58.000 -0.077 0.000 0.944 113 F CB 2.415 41.386 39.000 -0.049 0.000 1.245 113 F HN 0.821 nan 8.300 nan 0.000 0.477 114 A N 0.910 123.785 122.820 0.092 0.000 2.449 114 A HA 0.827 5.147 4.320 0.000 0.000 0.302 114 A C -1.107 176.514 177.584 0.061 0.000 1.048 114 A CA -0.717 51.356 52.037 0.059 0.000 0.708 114 A CB 1.010 20.015 19.000 0.010 0.000 1.274 114 A HN 1.024 nan 8.150 nan 0.000 0.410 115 A N 1.371 124.229 122.820 0.064 0.000 2.477 115 A HA 0.449 4.769 4.320 0.000 0.000 0.246 115 A C 1.069 178.672 177.584 0.033 0.000 1.078 115 A CA 0.239 52.317 52.037 0.067 0.000 0.770 115 A CB -0.440 18.608 19.000 0.080 0.000 1.011 115 A HN 1.650 nan 8.150 nan 0.000 0.494 116 I N -0.580 119.997 120.570 0.012 0.000 3.111 116 I HA 0.058 4.228 4.170 0.000 0.000 0.272 116 I C 0.187 176.167 176.117 -0.228 0.000 1.268 116 I CA 0.376 61.613 61.300 -0.105 0.000 1.467 116 I CB -0.308 37.609 38.000 -0.139 0.000 1.087 116 I HN 0.506 nan 8.210 nan 0.000 0.467 117 H N 2.478 121.552 119.070 0.007 0.000 2.488 117 H HA 0.789 5.345 4.556 0.000 0.000 0.322 117 H C -0.447 174.882 175.328 0.001 0.000 1.078 117 H CA -0.181 55.869 56.048 0.005 0.000 1.260 117 H CB 1.681 31.448 29.762 0.009 0.000 1.425 117 H HN 0.411 nan 8.280 nan 0.000 0.471 118 A N 3.153 126.021 122.820 0.081 0.000 2.609 118 A HA 0.377 4.697 4.320 0.000 0.000 0.291 118 A C -0.621 176.985 177.584 0.037 0.000 1.096 118 A CA -0.920 51.145 52.037 0.046 0.000 0.684 118 A CB 1.736 20.745 19.000 0.016 0.000 1.282 118 A HN 0.544 nan 8.150 nan 0.000 0.412 119 E N 0.670 120.886 120.200 0.027 0.000 2.343 119 E HA 0.488 4.838 4.350 0.000 0.000 0.269 119 E C 0.309 176.917 176.600 0.013 0.000 1.047 119 E CA -0.008 56.405 56.400 0.022 0.000 0.874 119 E CB 1.559 31.272 29.700 0.020 0.000 1.033 119 E HN 0.808 nan 8.360 nan 0.000 0.409 120 A N 4.279 127.108 122.820 0.015 0.000 2.440 120 A HA 0.333 4.653 4.320 0.000 0.000 0.251 120 A C -2.026 175.568 177.584 0.018 0.000 1.089 120 A CA -1.103 50.941 52.037 0.011 0.000 0.779 120 A CB -0.458 18.553 19.000 0.019 0.000 1.022 120 A HN 0.309 nan 8.150 nan 0.000 0.492 121 P HA 0.028 nan 4.420 nan 0.000 0.263 121 P C 0.077 177.398 177.300 0.035 0.000 1.175 121 P CA 0.295 63.403 63.100 0.013 0.000 0.761 121 P CB 0.419 32.118 31.700 -0.001 0.000 0.794 122 E N 1.445 121.669 120.200 0.040 0.000 2.391 122 E HA -0.006 4.345 4.350 0.000 0.000 0.255 122 E C 0.869 177.537 176.600 0.113 0.000 1.187 122 E CA -0.230 56.217 56.400 0.078 0.000 0.941 122 E CB 0.102 29.843 29.700 0.068 0.000 1.010 122 E HN 0.380 nan 8.360 nan 0.000 0.458 123 F N 1.705 121.654 119.950 -0.001 0.000 2.126 123 F HA -0.224 4.304 4.527 0.000 0.000 0.299 123 F C 1.954 177.753 175.800 -0.003 0.000 1.096 123 F CA 1.758 59.757 58.000 -0.001 0.000 1.255 123 F CB -0.342 38.658 39.000 -0.001 0.000 0.997 123 F HN 0.263 nan 8.300 nan 0.000 0.479 124 V N -2.109 117.802 119.914 -0.006 0.000 3.026 124 V HA -0.164 3.956 4.120 0.000 0.000 0.265 124 V C 1.452 177.475 176.094 -0.117 0.000 1.121 124 V CA 1.842 64.083 62.300 -0.098 0.000 1.142 124 V CB -1.121 30.702 31.823 -0.000 0.000 0.730 124 V HN 0.428 nan 8.190 nan 0.000 0.503 125 E N -0.086 120.059 120.200 -0.092 0.000 2.479 125 E HA 0.201 4.551 4.350 0.000 0.000 0.193 125 E C 0.612 177.150 176.600 -0.103 0.000 1.049 125 E CA -0.236 56.119 56.400 -0.074 0.000 0.870 125 E CB 0.089 29.768 29.700 -0.035 0.000 0.944 125 E HN 0.484 nan 8.360 nan 0.000 0.492 126 M N 0.795 120.290 119.600 -0.176 0.000 2.242 126 M HA 0.136 4.617 4.480 0.000 0.000 0.344 126 M C 0.393 176.601 176.300 -0.153 0.000 1.140 126 M CA 0.073 55.268 55.300 -0.174 0.000 1.160 126 M CB 1.198 33.642 32.600 -0.260 0.000 1.491 126 M HN -0.152 nan 8.290 nan 0.000 0.459 127 S N 1.103 116.741 115.700 -0.103 0.000 2.549 127 S HA 0.586 5.056 4.470 0.000 0.000 0.297 127 S C 0.408 174.966 174.600 -0.070 0.000 1.115 127 S CA -0.816 57.336 58.200 -0.080 0.000 1.059 127 S CB 1.082 64.250 63.200 -0.053 0.000 1.046 127 S HN 0.578 nan 8.310 nan 0.000 0.506 128 V N 0.587 120.465 119.914 -0.060 0.000 3.528 128 V HA 0.493 4.614 4.120 0.000 0.000 0.294 128 V C 0.276 176.355 176.094 -0.026 0.000 1.404 128 V CA -0.346 61.929 62.300 -0.042 0.000 1.065 128 V CB -0.312 31.486 31.823 -0.042 0.000 0.904 128 V HN 0.714 nan 8.190 nan 0.000 0.435 129 E N 3.558 123.742 120.200 -0.026 0.000 2.376 129 E HA 0.281 4.631 4.350 0.000 0.000 0.266 129 E C -0.299 176.296 176.600 -0.009 0.000 1.009 129 E CA 0.457 56.847 56.400 -0.016 0.000 0.902 129 E CB 0.873 30.564 29.700 -0.016 0.000 0.972 129 E HN 0.871 nan 8.360 nan 0.000 0.439 130 Q N 1.481 121.280 119.800 -0.003 0.000 2.309 130 Q HA 0.387 4.727 4.340 0.000 0.000 0.254 130 Q C -0.875 175.132 176.000 0.012 0.000 0.938 130 Q CA -0.726 55.080 55.803 0.006 0.000 0.789 130 Q CB 1.444 30.186 28.738 0.007 0.000 1.313 130 Q HN 0.452 nan 8.270 nan 0.000 0.438 131 E N 2.966 123.178 120.200 0.019 0.000 2.238 131 E HA 0.517 4.867 4.350 0.000 0.000 0.267 131 E C -0.778 175.846 176.600 0.040 0.000 0.887 131 E CA -1.082 55.333 56.400 0.026 0.000 0.769 131 E CB 2.340 32.054 29.700 0.024 0.000 1.187 131 E HN 0.668 nan 8.360 nan 0.000 0.416 132 I N 2.716 123.313 120.570 0.046 0.000 2.775 132 I HA -0.067 4.103 4.170 0.000 0.000 0.290 132 I C -0.798 175.362 176.117 0.072 0.000 1.203 132 I CA -0.198 61.140 61.300 0.062 0.000 1.433 132 I CB 0.403 38.443 38.000 0.067 0.000 1.354 132 I HN 0.541 nan 8.210 nan 0.000 0.579 133 L N 9.070 130.349 121.223 0.093 0.000 2.277 133 L HA 0.383 4.723 4.340 0.000 0.000 0.284 133 L C -0.624 176.294 176.870 0.079 0.000 1.028 133 L CA -0.281 54.619 54.840 0.099 0.000 0.835 133 L CB 1.133 43.273 42.059 0.136 0.000 1.215 133 L HN 0.337 nan 8.230 nan 0.000 0.425 134 V N 4.328 124.277 119.914 0.058 0.000 2.614 134 V HA 0.211 4.331 4.120 0.000 0.000 0.291 134 V C 1.392 177.494 176.094 0.014 0.000 1.049 134 V CA 0.660 62.978 62.300 0.029 0.000 1.038 134 V CB 1.110 32.955 31.823 0.036 0.000 0.980 134 V HN 0.944 nan 8.190 nan 0.000 0.481 135 T N -0.284 114.249 114.554 -0.034 0.000 3.000 135 T HA 0.289 4.639 4.350 0.000 0.000 0.248 135 T C 1.375 176.048 174.700 -0.044 0.000 1.034 135 T CA 0.808 62.882 62.100 -0.043 0.000 1.060 135 T CB 0.531 69.323 68.868 -0.127 0.000 0.983 135 T HN 1.540 nan 8.240 nan 0.000 0.482 136 G N 1.533 110.311 108.800 -0.036 0.000 2.157 136 G HA2 -0.175 3.785 3.960 0.000 0.000 0.248 136 G HA3 -0.175 3.785 3.960 0.000 0.000 0.248 136 G C -0.044 174.842 174.900 -0.023 0.000 0.979 136 G CA 0.062 45.146 45.100 -0.026 0.000 0.650 136 G HN 0.652 nan 8.290 nan 0.000 0.529 137 I N 0.944 121.495 120.570 -0.032 0.000 2.312 137 I HA 0.280 4.450 4.170 0.000 0.000 0.290 137 I C 1.553 177.678 176.117 0.014 0.000 1.008 137 I CA -0.798 60.516 61.300 0.024 0.000 1.226 137 I CB 1.361 39.381 38.000 0.033 0.000 1.371 137 I HN -0.006 nan 8.210 nan 0.000 0.468 138 K N 3.661 124.080 120.400 0.031 0.000 2.001 138 K HA -0.194 4.126 4.320 0.000 0.000 0.214 138 K C 1.841 178.434 176.600 -0.011 0.000 1.050 138 K CA 1.531 57.837 56.287 0.031 0.000 0.934 138 K CB -0.168 32.352 32.500 0.034 0.000 0.718 138 K HN 0.556 nan 8.250 nan 0.000 0.443 139 V N 1.082 120.990 119.914 -0.011 0.000 2.332 139 V HA -0.226 3.894 4.120 0.000 0.000 0.248 139 V C 2.047 178.107 176.094 -0.057 0.000 1.055 139 V CA 1.687 63.952 62.300 -0.058 0.000 1.038 139 V CB -0.048 31.771 31.823 -0.007 0.000 0.651 139 V HN 0.161 nan 8.190 nan 0.000 0.450 140 V N 0.334 120.219 119.914 -0.049 0.000 2.244 140 V HA -0.177 3.943 4.120 0.000 0.000 0.244 140 V C 2.390 178.411 176.094 -0.121 0.000 1.042 140 V CA 2.386 64.614 62.300 -0.122 0.000 1.006 140 V CB -0.816 30.829 31.823 -0.296 0.000 0.641 140 V HN 0.567 nan 8.190 nan 0.000 0.446 141 D N -0.079 120.260 120.400 -0.102 0.000 2.123 141 D HA -0.163 4.477 4.640 0.000 0.000 0.196 141 D C 1.921 178.284 176.300 0.106 0.000 0.992 141 D CA 1.321 55.311 54.000 -0.017 0.000 0.833 141 D CB -0.266 40.522 40.800 -0.019 0.000 0.954 141 D HN 0.337 nan 8.370 nan 0.000 0.455 142 L N 0.143 121.377 121.223 0.018 0.000 2.007 142 L HA -0.053 4.287 4.340 0.000 0.000 0.205 142 L C 2.095 179.033 176.870 0.113 0.000 1.073 142 L CA 1.550 56.400 54.840 0.018 0.000 0.744 142 L CB -0.460 41.469 42.059 -0.216 0.000 0.898 142 L HN -0.019 nan 8.230 nan 0.000 0.435 143 L N -0.961 120.253 121.223 -0.014 0.000 2.298 143 L HA 0.267 4.607 4.340 0.000 0.000 0.209 143 L C 0.836 177.712 176.870 0.010 0.000 1.084 143 L CA 0.560 55.382 54.840 -0.030 0.000 0.816 143 L CB -0.226 41.786 42.059 -0.077 0.000 0.967 143 L HN 0.328 nan 8.230 nan 0.000 0.460 144 A N 0.319 123.157 122.820 0.030 0.000 3.422 144 A HA 0.423 4.743 4.320 0.000 0.000 0.271 144 A C -2.649 174.986 177.584 0.085 0.000 1.104 144 A CA -0.815 51.263 52.037 0.069 0.000 0.899 144 A CB -0.176 18.887 19.000 0.105 0.000 1.309 144 A HN -0.145 nan 8.150 nan 0.000 0.580 145 P HA 0.142 nan 4.420 nan 0.000 0.271 145 P C -0.480 176.931 177.300 0.185 0.000 1.218 145 P CA 0.360 63.475 63.100 0.025 0.000 0.780 145 P CB 0.419 32.145 31.700 0.043 0.000 0.901 146 Y N 0.246 120.575 120.300 0.049 0.000 2.314 146 Y HA 0.411 4.961 4.550 0.000 0.000 0.334 146 Y C 1.148 177.062 175.900 0.024 0.000 1.266 146 Y CA -1.221 56.899 58.100 0.034 0.000 1.391 146 Y CB 0.780 39.258 38.460 0.031 0.000 1.306 146 Y HN 0.385 nan 8.280 nan 0.000 0.558 147 A N 2.433 125.360 122.820 0.178 0.000 2.350 147 A HA 0.427 4.747 4.320 0.000 0.000 0.324 147 A C -0.934 176.685 177.584 0.059 0.000 1.118 147 A CA -1.145 50.947 52.037 0.092 0.000 0.783 147 A CB 0.826 19.860 19.000 0.056 0.000 1.236 147 A HN 0.754 nan 8.150 nan 0.000 0.457 148 K N 0.787 121.216 120.400 0.048 0.000 2.484 148 K HA 0.327 4.647 4.320 0.000 0.000 0.280 148 K C 1.151 177.753 176.600 0.003 0.000 1.013 148 K CA 1.200 57.504 56.287 0.028 0.000 1.029 148 K CB 0.250 32.772 32.500 0.037 0.000 0.902 148 K HN 1.554 nan 8.250 nan 0.000 0.481 149 G N 2.036 110.824 108.800 -0.021 0.000 2.155 149 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 149 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 149 G C 0.474 175.347 174.900 -0.045 0.000 0.983 149 G CA 0.125 45.204 45.100 -0.035 0.000 0.676 149 G HN 0.863 nan 8.290 nan 0.000 0.528 150 G N -0.805 107.967 108.800 -0.047 0.000 2.522 150 G HA2 0.574 4.534 3.960 0.000 0.000 0.304 150 G HA3 0.574 4.534 3.960 0.000 0.000 0.304 150 G C -0.152 174.692 174.900 -0.093 0.000 1.210 150 G CA -0.714 44.357 45.100 -0.049 0.000 0.960 150 G HN 0.336 nan 8.290 nan 0.000 0.497 151 K N 0.322 120.674 120.400 -0.079 0.000 2.281 151 K HA 0.383 4.703 4.320 0.000 0.000 0.272 151 K C -0.801 175.717 176.600 -0.137 0.000 1.048 151 K CA -0.147 56.075 56.287 -0.107 0.000 0.898 151 K CB 1.560 34.027 32.500 -0.055 0.000 1.128 151 K HN 0.245 nan 8.250 nan 0.000 0.460 152 I N 1.348 121.776 120.570 -0.237 0.000 2.412 152 I HA 0.345 4.515 4.170 0.000 0.000 0.296 152 I C 0.392 176.349 176.117 -0.267 0.000 0.987 152 I CA -0.462 60.630 61.300 -0.345 0.000 1.180 152 I CB 2.074 39.659 38.000 -0.692 0.000 1.340 152 I HN 0.590 nan 8.210 nan 0.000 0.455 153 G N 6.679 115.368 108.800 -0.185 0.000 2.609 153 G HA2 0.666 4.627 3.960 0.000 0.000 0.308 153 G HA3 0.666 4.627 3.960 0.000 0.000 0.308 153 G C -1.017 173.788 174.900 -0.159 0.000 1.369 153 G CA -0.505 44.449 45.100 -0.244 0.000 0.958 153 G HN 0.452 nan 8.290 nan 0.000 0.499 154 L N 2.492 123.578 121.223 -0.228 0.000 2.297 154 L HA 0.448 4.788 4.340 0.000 0.000 0.277 154 L C -0.720 176.076 176.870 -0.124 0.000 1.040 154 L CA -0.626 54.189 54.840 -0.041 0.000 0.867 154 L CB 0.476 42.556 42.059 0.035 0.000 1.244 154 L HN 0.309 nan 8.230 nan 0.000 0.433 155 F N 1.327 121.269 119.950 -0.014 0.000 2.375 155 F HA 0.748 5.275 4.527 0.000 0.000 0.333 155 F C 1.040 176.840 175.800 0.001 0.000 1.104 155 F CA -0.175 57.797 58.000 -0.047 0.000 1.149 155 F CB 1.883 40.836 39.000 -0.079 0.000 1.190 155 F HN 0.456 nan 8.300 nan 0.000 0.533 156 G N 0.847 109.732 108.800 0.141 0.000 2.498 156 G HA2 0.453 4.413 3.960 0.000 0.000 0.301 156 G HA3 0.453 4.413 3.960 0.000 0.000 0.301 156 G C -0.569 174.326 174.900 -0.007 0.000 1.577 156 G CA -0.400 44.752 45.100 0.085 0.000 0.868 156 G HN 0.929 nan 8.290 nan 0.000 0.599 157 G N -0.203 108.570 108.800 -0.044 0.000 2.661 157 G HA2 0.602 4.562 3.960 0.000 0.000 0.272 157 G HA3 0.602 4.562 3.960 0.000 0.000 0.272 157 G C 0.856 175.817 174.900 0.101 0.000 1.296 157 G CA 0.494 45.538 45.100 -0.093 0.000 0.998 157 G HN 1.809 nan 8.290 nan 0.000 0.553 158 A N -1.281 121.665 122.820 0.210 0.000 2.454 158 A HA 0.549 4.869 4.320 0.000 0.000 0.260 158 A C 1.429 179.090 177.584 0.128 0.000 1.106 158 A CA 0.960 53.150 52.037 0.254 0.000 0.780 158 A CB -0.403 18.744 19.000 0.245 0.000 1.044 158 A HN 2.573 nan 8.150 nan 0.000 0.498 159 G N 0.897 109.759 108.800 0.104 0.000 2.160 159 G HA2 -0.152 3.808 3.960 0.000 0.000 0.244 159 G HA3 -0.152 3.808 3.960 0.000 0.000 0.244 159 G C 0.657 175.598 174.900 0.069 0.000 1.022 159 G CA 0.842 45.978 45.100 0.060 0.000 0.741 159 G HN 2.143 nan 8.290 nan 0.000 0.508 160 V N -3.897 116.073 119.914 0.093 0.000 3.565 160 V HA 0.689 4.809 4.120 0.000 0.000 0.260 160 V C 1.625 177.812 176.094 0.156 0.000 1.231 160 V CA 1.346 63.717 62.300 0.119 0.000 1.100 160 V CB 0.554 32.430 31.823 0.088 0.000 0.807 160 V HN 2.104 nan 8.190 nan 0.000 0.454 161 G N 0.354 109.225 108.800 0.118 0.000 2.215 161 G HA2 -0.133 3.827 3.960 0.000 0.000 0.187 161 G HA3 -0.133 3.827 3.960 0.000 0.000 0.187 161 G C 0.492 175.480 174.900 0.147 0.000 1.039 161 G CA 0.159 45.330 45.100 0.118 0.000 0.771 161 G HN 0.371 nan 8.290 nan 0.000 0.507 162 K N -0.162 120.319 120.400 0.135 0.000 2.032 162 K HA -0.059 4.261 4.320 0.000 0.000 0.209 162 K C 2.507 179.199 176.600 0.153 0.000 1.048 162 K CA 1.982 58.352 56.287 0.139 0.000 0.927 162 K CB -0.151 32.419 32.500 0.117 0.000 0.712 162 K HN 0.290 nan 8.250 nan 0.000 0.441 163 T N 0.829 115.471 114.554 0.145 0.000 2.851 163 T HA -0.062 4.288 4.350 0.000 0.000 0.262 163 T C 2.027 176.828 174.700 0.169 0.000 1.043 163 T CA 0.831 63.028 62.100 0.161 0.000 1.140 163 T CB -0.095 68.864 68.868 0.152 0.000 0.872 163 T HN -0.078 nan 8.240 nan 0.000 0.446 164 V N 1.973 121.988 119.914 0.167 0.000 2.231 164 V HA -0.174 3.947 4.120 0.000 0.000 0.248 164 V C 2.456 178.723 176.094 0.288 0.000 1.054 164 V CA 1.635 64.069 62.300 0.224 0.000 1.015 164 V CB -0.785 31.150 31.823 0.188 0.000 0.638 164 V HN 0.328 nan 8.190 nan 0.000 0.444 165 L N -0.231 121.190 121.223 0.330 0.000 2.013 165 L HA -0.216 4.124 4.340 0.000 0.000 0.212 165 L C 2.173 179.161 176.870 0.196 0.000 1.073 165 L CA 2.046 57.092 54.840 0.344 0.000 0.753 165 L CB -0.603 41.657 42.059 0.335 0.000 0.890 165 L HN 0.303 nan 8.230 nan 0.000 0.432 166 I N -1.567 119.116 120.570 0.188 0.000 2.394 166 I HA -0.288 3.882 4.170 0.000 0.000 0.251 166 I C 2.059 178.222 176.117 0.076 0.000 1.136 166 I CA 0.899 62.306 61.300 0.178 0.000 1.425 166 I CB 0.043 38.175 38.000 0.221 0.000 1.079 166 I HN 0.307 nan 8.210 nan 0.000 0.425 167 M N -0.212 119.427 119.600 0.066 0.000 2.229 167 M HA -0.184 4.296 4.480 0.000 0.000 0.264 167 M C 2.086 178.349 176.300 -0.061 0.000 1.063 167 M CA 1.463 56.756 55.300 -0.011 0.000 1.114 167 M CB -1.294 31.327 32.600 0.036 0.000 1.387 167 M HN 0.177 nan 8.290 nan 0.000 0.420 168 E N 0.615 120.769 120.200 -0.076 0.000 2.152 168 E HA -0.049 4.301 4.350 0.000 0.000 0.192 168 E C 1.989 178.480 176.600 -0.183 0.000 0.983 168 E CA 0.884 57.137 56.400 -0.245 0.000 0.818 168 E CB -0.179 29.102 29.700 -0.699 0.000 0.758 168 E HN 0.489 nan 8.360 nan 0.000 0.467 169 L N -0.169 121.018 121.223 -0.060 0.000 2.109 169 L HA -0.039 4.301 4.340 0.000 0.000 0.207 169 L C 2.337 179.226 176.870 0.031 0.000 1.086 169 L CA 0.725 55.600 54.840 0.059 0.000 0.760 169 L CB -0.303 41.903 42.059 0.245 0.000 0.910 169 L HN 0.165 nan 8.230 nan 0.000 0.437 170 I N 0.239 120.723 120.570 -0.143 0.000 2.286 170 I HA -0.307 3.863 4.170 0.000 0.000 0.248 170 I C 2.306 178.345 176.117 -0.130 0.000 1.115 170 I CA 1.442 62.561 61.300 -0.302 0.000 1.392 170 I CB -0.301 37.402 38.000 -0.494 0.000 1.065 170 I HN 0.350 nan 8.210 nan 0.000 0.418 171 N N 1.005 119.641 118.700 -0.107 0.000 2.106 171 N HA -0.172 4.568 4.740 0.000 0.000 0.188 171 N C 1.537 177.018 175.510 -0.049 0.000 1.029 171 N CA 1.627 54.631 53.050 -0.078 0.000 0.848 171 N CB -0.001 38.432 38.487 -0.090 0.000 1.007 171 N HN 0.185 nan 8.380 nan 0.000 0.423 172 N N -1.031 117.640 118.700 -0.050 0.000 2.333 172 N HA 0.020 4.760 4.740 0.000 0.000 0.178 172 N C 1.165 176.690 175.510 0.024 0.000 1.018 172 N CA 0.652 53.686 53.050 -0.026 0.000 0.882 172 N CB 0.209 38.663 38.487 -0.056 0.000 0.984 172 N HN 0.129 nan 8.380 nan 0.000 0.434 173 V N -0.385 119.565 119.914 0.060 0.000 3.151 173 V HA 0.297 4.417 4.120 0.000 0.000 0.241 173 V C 1.923 178.099 176.094 0.137 0.000 1.173 173 V CA 0.958 63.324 62.300 0.111 0.000 1.154 173 V CB -0.147 31.769 31.823 0.154 0.000 0.898 173 V HN 0.187 nan 8.190 nan 0.000 0.473 174 A N 0.029 122.925 122.820 0.126 0.000 1.935 174 A HA -0.059 4.261 4.320 0.000 0.000 0.214 174 A C 2.160 179.815 177.584 0.119 0.000 1.178 174 A CA 1.205 53.328 52.037 0.143 0.000 0.640 174 A CB -0.262 18.790 19.000 0.086 0.000 0.825 174 A HN 0.438 nan 8.150 nan 0.000 0.447 175 K N -0.245 120.189 120.400 0.056 0.000 2.103 175 K HA -0.077 4.243 4.320 0.000 0.000 0.207 175 K C 1.518 178.149 176.600 0.051 0.000 1.048 175 K CA 1.330 57.638 56.287 0.036 0.000 0.930 175 K CB -0.192 32.310 32.500 0.003 0.000 0.716 175 K HN 0.413 nan 8.250 nan 0.000 0.444 176 A N 0.713 123.572 122.820 0.066 0.000 2.500 176 A HA 0.039 4.359 4.320 0.000 0.000 0.267 176 A C -0.185 177.446 177.584 0.077 0.000 1.290 176 A CA -0.306 51.762 52.037 0.052 0.000 0.928 176 A CB -0.337 18.683 19.000 0.034 0.000 1.066 176 A HN 0.249 nan 8.150 nan 0.000 0.516 177 H N -0.747 118.333 119.070 0.017 0.000 2.732 177 H HA 0.396 4.953 4.556 0.000 0.000 0.351 177 H C 1.496 176.810 175.328 -0.023 0.000 1.090 177 H CA 0.862 56.917 56.048 0.011 0.000 1.431 177 H CB 1.177 30.964 29.762 0.043 0.000 1.447 177 H HN 0.086 nan 8.280 nan 0.000 0.582 178 G N 3.006 111.422 108.800 -0.640 0.000 2.394 178 G HA2 -0.022 3.939 3.960 0.000 0.000 0.215 178 G HA3 -0.022 3.939 3.960 0.000 0.000 0.215 178 G C 0.951 175.532 174.900 -0.532 0.000 1.165 178 G CA 0.489 45.301 45.100 -0.479 0.000 0.784 178 G HN 0.790 nan 8.290 nan 0.000 0.535 179 G N -1.206 107.102 108.800 -0.820 0.000 2.829 179 G HA2 0.508 4.468 3.960 0.000 0.000 0.173 179 G HA3 0.508 4.468 3.960 0.000 0.000 0.173 179 G C -0.909 173.860 174.900 -0.218 0.000 1.476 179 G CA -0.962 43.832 45.100 -0.510 0.000 1.072 179 G HN 0.218 nan 8.290 nan 0.000 0.577 180 Y N -0.602 119.714 120.300 0.027 0.000 2.387 180 Y HA 0.553 5.103 4.550 0.000 0.000 0.330 180 Y C 0.590 176.493 175.900 0.005 0.000 1.133 180 Y CA -0.660 57.372 58.100 -0.113 0.000 1.152 180 Y CB 2.194 40.310 38.460 -0.573 0.000 1.215 180 Y HN 0.253 nan 8.280 nan 0.000 0.466 181 S N 1.546 117.370 115.700 0.206 0.000 2.537 181 S HA 0.685 5.155 4.470 0.000 0.000 0.301 181 S C -1.018 173.700 174.600 0.196 0.000 1.092 181 S CA -0.737 57.586 58.200 0.204 0.000 1.048 181 S CB 1.624 64.991 63.200 0.278 0.000 1.053 181 S HN 0.336 nan 8.310 nan 0.000 0.501 182 V N 3.046 123.095 119.914 0.226 0.000 2.540 182 V HA 0.522 4.642 4.120 0.000 0.000 0.302 182 V C -1.137 175.130 176.094 0.288 0.000 1.035 182 V CA -0.708 61.722 62.300 0.217 0.000 0.873 182 V CB 1.419 33.334 31.823 0.155 0.000 0.992 182 V HN 0.847 nan 8.190 nan 0.000 0.428 183 F N 3.895 123.909 119.950 0.107 0.000 2.427 183 F HA 0.779 5.306 4.527 0.000 0.000 0.348 183 F C 0.292 176.013 175.800 -0.132 0.000 1.125 183 F CA -0.523 57.509 58.000 0.053 0.000 0.989 183 F CB 1.142 40.167 39.000 0.041 0.000 1.165 183 F HN 0.577 nan 8.300 nan 0.000 0.442 184 A N 4.606 127.134 122.820 -0.487 0.000 2.249 184 A HA 0.609 4.929 4.320 0.000 0.000 0.314 184 A C 0.138 177.313 177.584 -0.682 0.000 1.290 184 A CA -0.313 51.445 52.037 -0.465 0.000 0.893 184 A CB 0.202 19.014 19.000 -0.314 0.000 1.165 184 A HN 1.002 nan 8.150 nan 0.000 0.530 185 G N 1.535 109.939 108.800 -0.659 0.000 2.391 185 G HA2 0.492 4.452 3.960 0.000 0.000 0.305 185 G HA3 0.492 4.452 3.960 0.000 0.000 0.305 185 G C -0.605 174.227 174.900 -0.113 0.000 1.072 185 G CA -0.125 44.784 45.100 -0.318 0.000 1.016 185 G HN 0.680 nan 8.290 nan 0.000 0.418 186 V N 2.778 122.656 119.914 -0.059 0.000 2.350 186 V HA 0.580 4.700 4.120 0.000 0.000 0.285 186 V C 1.147 177.266 176.094 0.043 0.000 1.014 186 V CA 0.303 62.594 62.300 -0.015 0.000 0.831 186 V CB 0.882 32.677 31.823 -0.046 0.000 1.000 186 V HN 1.295 nan 8.190 nan 0.000 0.433 187 G N 3.467 112.304 108.800 0.061 0.000 2.258 187 G HA2 -0.202 3.758 3.960 0.000 0.000 0.274 187 G HA3 -0.202 3.758 3.960 0.000 0.000 0.274 187 G C 0.247 175.193 174.900 0.077 0.000 1.021 187 G CA 0.595 45.732 45.100 0.061 0.000 0.798 187 G HN 0.593 nan 8.290 nan 0.000 0.507 188 E N -0.628 119.640 120.200 0.113 0.000 3.232 188 E HA 0.459 4.809 4.350 0.000 0.000 0.248 188 E C 0.970 177.642 176.600 0.119 0.000 1.048 188 E CA -0.868 55.605 56.400 0.120 0.000 1.204 188 E CB 0.448 30.243 29.700 0.158 0.000 1.535 188 E HN 0.400 nan 8.360 nan 0.000 0.567 189 R N 0.191 120.763 120.500 0.119 0.000 2.340 189 R HA 0.209 4.549 4.340 0.000 0.000 0.300 189 R C 1.169 177.522 176.300 0.088 0.000 1.069 189 R CA 0.060 56.213 56.100 0.088 0.000 0.984 189 R CB 0.381 30.726 30.300 0.074 0.000 1.003 189 R HN 0.381 nan 8.270 nan 0.000 0.459 190 T N 1.994 116.577 114.554 0.048 0.000 2.867 190 T HA -0.154 4.197 4.350 0.000 0.000 0.268 190 T C 1.752 176.437 174.700 -0.026 0.000 1.057 190 T CA 1.120 63.217 62.100 -0.004 0.000 1.136 190 T CB -0.123 68.736 68.868 -0.014 0.000 0.874 190 T HN 0.542 nan 8.240 nan 0.000 0.466 191 R N 1.305 121.809 120.500 0.007 0.000 2.103 191 R HA -0.163 4.177 4.340 0.000 0.000 0.242 191 R C 2.087 178.397 176.300 0.017 0.000 1.142 191 R CA 1.796 57.903 56.100 0.012 0.000 0.960 191 R CB -0.148 30.168 30.300 0.027 0.000 0.858 191 R HN 0.488 nan 8.270 nan 0.000 0.439 192 E N -1.006 119.217 120.200 0.040 0.000 2.106 192 E HA -0.100 4.250 4.350 0.000 0.000 0.192 192 E C 1.892 178.498 176.600 0.010 0.000 0.984 192 E CA 1.007 57.441 56.400 0.056 0.000 0.806 192 E CB -0.140 29.630 29.700 0.116 0.000 0.750 192 E HN 0.613 nan 8.360 nan 0.000 0.458 193 G N 1.136 109.901 108.800 -0.058 0.000 2.408 193 G HA2 -0.323 3.637 3.960 0.000 0.000 0.217 193 G HA3 -0.323 3.637 3.960 0.000 0.000 0.217 193 G C 1.410 176.156 174.900 -0.256 0.000 1.150 193 G CA 0.973 45.864 45.100 -0.350 0.000 0.776 193 G HN 0.198 nan 8.290 nan 0.000 0.542 194 N N 0.520 119.147 118.700 -0.121 0.000 2.142 194 N HA -0.098 4.642 4.740 0.000 0.000 0.186 194 N C 1.732 177.338 175.510 0.159 0.000 1.023 194 N CA 1.561 54.648 53.050 0.061 0.000 0.852 194 N CB -0.110 38.422 38.487 0.076 0.000 0.998 194 N HN 0.104 nan 8.380 nan 0.000 0.424 195 D N 0.132 120.571 120.400 0.064 0.000 2.103 195 D HA -0.173 4.467 4.640 0.000 0.000 0.190 195 D C 1.883 178.202 176.300 0.032 0.000 0.997 195 D CA 0.897 54.928 54.000 0.050 0.000 0.833 195 D CB -0.584 40.231 40.800 0.024 0.000 0.961 195 D HN 0.270 nan 8.370 nan 0.000 0.447 196 L N -0.206 121.003 121.223 -0.024 0.000 2.083 196 L HA -0.162 4.178 4.340 0.000 0.000 0.209 196 L C 2.176 179.019 176.870 -0.045 0.000 1.083 196 L CA 1.439 56.225 54.840 -0.088 0.000 0.752 196 L CB -0.703 41.215 42.059 -0.235 0.000 0.899 196 L HN 0.052 nan 8.230 nan 0.000 0.433 197 Y N -0.361 119.843 120.300 -0.160 0.000 2.114 197 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 197 Y C 2.687 178.458 175.900 -0.216 0.000 1.143 197 Y CA 2.172 60.148 58.100 -0.206 0.000 1.135 197 Y CB -0.511 37.777 38.460 -0.286 0.000 0.980 197 Y HN 0.353 nan 8.280 nan 0.000 0.499 198 H N -0.217 118.764 119.070 -0.147 0.000 2.495 198 H HA -0.052 4.504 4.556 0.000 0.000 0.287 198 H C 1.875 177.101 175.328 -0.169 0.000 1.033 198 H CA 1.509 57.426 56.048 -0.219 0.000 1.307 198 H CB 0.109 29.809 29.762 -0.105 0.000 1.401 198 H HN 0.575 nan 8.280 nan 0.000 0.555 199 E N 0.091 120.273 120.200 -0.029 0.000 2.158 199 E HA -0.046 4.304 4.350 0.000 0.000 0.191 199 E C 2.005 178.552 176.600 -0.087 0.000 0.982 199 E CA 0.423 56.792 56.400 -0.052 0.000 0.823 199 E CB 0.191 29.862 29.700 -0.048 0.000 0.766 199 E HN 0.365 nan 8.360 nan 0.000 0.468 200 M N -0.063 119.463 119.600 -0.122 0.000 2.447 200 M HA 0.012 4.492 4.480 0.000 0.000 0.264 200 M C 1.990 178.203 176.300 -0.146 0.000 1.095 200 M CA 0.759 55.988 55.300 -0.117 0.000 1.125 200 M CB 0.113 32.654 32.600 -0.097 0.000 1.389 200 M HN 0.128 nan 8.290 nan 0.000 0.459 201 I N 0.035 120.464 120.570 -0.235 0.000 2.252 201 I HA -0.238 3.932 4.170 0.000 0.000 0.245 201 I C 2.436 178.478 176.117 -0.126 0.000 1.102 201 I CA 1.116 62.278 61.300 -0.230 0.000 1.385 201 I CB -0.276 37.508 38.000 -0.361 0.000 1.064 201 I HN 0.219 nan 8.210 nan 0.000 0.414 202 E N 1.175 121.316 120.200 -0.098 0.000 2.110 202 E HA -0.205 4.145 4.350 0.000 0.000 0.193 202 E C 2.137 178.705 176.600 -0.053 0.000 0.988 202 E CA 1.829 58.193 56.400 -0.061 0.000 0.804 202 E CB -0.110 29.562 29.700 -0.047 0.000 0.745 202 E HN 0.470 nan 8.360 nan 0.000 0.458 203 S N -1.878 113.788 115.700 -0.057 0.000 2.593 203 S HA 0.234 4.704 4.470 0.000 0.000 0.217 203 S C 1.649 176.226 174.600 -0.038 0.000 0.966 203 S CA 0.499 58.673 58.200 -0.044 0.000 0.914 203 S CB 0.206 63.379 63.200 -0.044 0.000 0.776 203 S HN 0.473 nan 8.310 nan 0.000 0.523 204 G N 1.053 109.825 108.800 -0.047 0.000 2.184 204 G HA2 -0.372 3.588 3.960 0.000 0.000 0.264 204 G HA3 -0.372 3.588 3.960 0.000 0.000 0.264 204 G C 0.933 175.819 174.900 -0.024 0.000 0.975 204 G CA 0.708 45.786 45.100 -0.036 0.000 0.642 204 G HN 1.427 nan 8.290 nan 0.000 0.536 205 V N -1.479 118.421 119.914 -0.023 0.000 2.809 205 V HA 0.381 4.501 4.120 0.000 0.000 0.256 205 V C 1.319 177.414 176.094 0.002 0.000 1.080 205 V CA 1.468 63.768 62.300 0.000 0.000 1.102 205 V CB -0.145 31.682 31.823 0.008 0.000 0.705 205 V HN 0.474 nan 8.190 nan 0.000 0.475 206 I N 2.282 122.834 120.570 -0.030 0.000 2.354 206 I HA 0.435 4.605 4.170 0.000 0.000 0.292 206 I C -0.512 175.573 176.117 -0.054 0.000 0.989 206 I CA -0.204 61.075 61.300 -0.034 0.000 1.188 206 I CB 1.378 39.336 38.000 -0.069 0.000 1.342 206 I HN 0.214 nan 8.210 nan 0.000 0.457 207 N N 6.798 125.483 118.700 -0.026 0.000 2.372 207 N HA 0.362 5.102 4.740 0.000 0.000 0.285 207 N C 0.159 175.658 175.510 -0.019 0.000 1.008 207 N CA -0.435 52.599 53.050 -0.028 0.000 0.880 207 N CB 2.131 40.612 38.487 -0.011 0.000 1.239 207 N HN 0.575 nan 8.380 nan 0.000 0.484 208 L N 2.336 123.541 121.223 -0.030 0.000 2.558 208 L HA 0.148 4.488 4.340 0.000 0.000 0.225 208 L C 1.649 178.518 176.870 -0.001 0.000 1.128 208 L CA 0.466 55.298 54.840 -0.013 0.000 0.868 208 L CB 0.096 42.140 42.059 -0.025 0.000 1.006 208 L HN 0.338 nan 8.230 nan 0.000 0.454 209 K N -0.492 119.906 120.400 -0.004 0.000 2.399 209 K HA 0.123 4.443 4.320 0.000 0.000 0.196 209 K C 0.244 176.847 176.600 0.004 0.000 1.117 209 K CA 0.357 56.644 56.287 0.000 0.000 0.965 209 K CB 0.539 33.037 32.500 -0.003 0.000 0.983 209 K HN 0.332 nan 8.250 nan 0.000 0.531 210 D N -1.005 119.398 120.400 0.005 0.000 2.658 210 D HA 0.324 4.964 4.640 0.000 0.000 0.243 210 D C -0.038 176.271 176.300 0.015 0.000 1.159 210 D CA -0.659 53.347 54.000 0.010 0.000 1.084 210 D CB 0.271 41.076 40.800 0.009 0.000 1.227 210 D HN -0.156 nan 8.370 nan 0.000 0.636 211 A N -0.930 121.902 122.820 0.020 0.000 2.574 211 A HA 0.294 4.614 4.320 0.000 0.000 0.283 211 A C 1.052 178.660 177.584 0.039 0.000 1.270 211 A CA 0.352 52.406 52.037 0.028 0.000 0.945 211 A CB -0.809 18.210 19.000 0.032 0.000 1.127 211 A HN 0.567 nan 8.150 nan 0.000 0.522 212 T N -2.416 112.158 114.554 0.033 0.000 3.129 212 T HA 0.118 4.468 4.350 0.000 0.000 0.251 212 T C 0.725 175.456 174.700 0.052 0.000 1.117 212 T CA 0.372 62.498 62.100 0.042 0.000 1.034 212 T CB -0.442 68.442 68.868 0.025 0.000 0.968 212 T HN 0.156 nan 8.240 nan 0.000 0.526 213 S N 1.862 117.587 115.700 0.042 0.000 2.558 213 S HA 0.142 4.612 4.470 0.000 0.000 0.293 213 S C 0.908 175.552 174.600 0.073 0.000 1.292 213 S CA -0.172 58.053 58.200 0.041 0.000 1.063 213 S CB 0.633 63.849 63.200 0.026 0.000 0.831 213 S HN 0.457 nan 8.310 nan 0.000 0.499 214 K N 1.086 121.541 120.400 0.092 0.000 2.413 214 K HA 0.276 4.596 4.320 0.000 0.000 0.204 214 K C -0.525 176.159 176.600 0.141 0.000 1.041 214 K CA 0.060 56.453 56.287 0.176 0.000 1.082 214 K CB 1.045 33.638 32.500 0.156 0.000 0.871 214 K HN 0.390 nan 8.250 nan 0.000 0.535 215 V N 0.665 120.627 119.914 0.080 0.000 2.686 215 V HA 0.665 4.785 4.120 0.000 0.000 0.306 215 V C -1.678 174.471 176.094 0.090 0.000 1.065 215 V CA -0.728 61.631 62.300 0.098 0.000 0.894 215 V CB 1.687 33.581 31.823 0.120 0.000 1.004 215 V HN 0.147 nan 8.190 nan 0.000 0.424 216 A N 7.102 129.991 122.820 0.116 0.000 2.312 216 A HA 0.904 5.224 4.320 0.000 0.000 0.326 216 A C -1.007 176.677 177.584 0.166 0.000 1.172 216 A CA -0.633 51.483 52.037 0.132 0.000 0.821 216 A CB 0.971 20.069 19.000 0.164 0.000 1.166 216 A HN 0.899 nan 8.150 nan 0.000 0.493 217 L N 2.310 123.632 121.223 0.165 0.000 2.346 217 L HA 0.635 4.975 4.340 0.000 0.000 0.276 217 L C -0.970 175.996 176.870 0.160 0.000 1.006 217 L CA -0.910 54.062 54.840 0.220 0.000 0.817 217 L CB 1.959 44.217 42.059 0.332 0.000 1.272 217 L HN 0.415 nan 8.230 nan 0.000 0.421 218 V N 2.736 122.688 119.914 0.063 0.000 2.531 218 V HA 0.470 4.590 4.120 0.000 0.000 0.301 218 V C -1.290 174.731 176.094 -0.121 0.000 1.034 218 V CA -0.654 61.651 62.300 0.008 0.000 0.865 218 V CB 1.805 33.603 31.823 -0.042 0.000 0.995 218 V HN 0.458 nan 8.190 nan 0.000 0.424 219 Y N 1.644 121.969 120.300 0.042 0.000 2.386 219 Y HA 0.712 5.262 4.550 0.000 0.000 0.334 219 Y C 0.509 176.425 175.900 0.027 0.000 1.002 219 Y CA -0.584 57.546 58.100 0.050 0.000 1.068 219 Y CB 2.758 41.241 38.460 0.038 0.000 1.203 219 Y HN 0.718 nan 8.280 nan 0.000 0.443 220 G N 4.147 113.045 108.800 0.163 0.000 3.598 220 G HA2 0.332 4.292 3.960 0.000 0.000 0.320 220 G HA3 0.332 4.292 3.960 0.000 0.000 0.320 220 G C -0.888 174.080 174.900 0.114 0.000 1.560 220 G CA -0.517 44.648 45.100 0.108 0.000 0.904 220 G HN 0.334 nan 8.290 nan 0.000 0.489 221 Q N 1.023 120.907 119.800 0.141 0.000 2.177 221 Q HA 0.278 4.618 4.340 0.000 0.000 0.183 221 Q C 1.932 177.977 176.000 0.076 0.000 1.040 221 Q CA -0.743 55.138 55.803 0.131 0.000 1.089 221 Q CB 0.755 29.585 28.738 0.153 0.000 1.130 221 Q HN 0.703 nan 8.270 nan 0.000 0.575 222 M N -0.201 119.439 119.600 0.066 0.000 2.659 222 M HA 0.011 4.491 4.480 0.000 0.000 0.243 222 M C 0.687 177.006 176.300 0.031 0.000 1.111 222 M CA 0.928 56.253 55.300 0.041 0.000 1.070 222 M CB -0.303 32.318 32.600 0.035 0.000 1.525 222 M HN 0.339 nan 8.290 nan 0.000 0.517 223 N N 0.404 119.124 118.700 0.033 0.000 2.461 223 N HA 0.016 4.756 4.740 0.000 0.000 0.188 223 N C -0.400 175.123 175.510 0.022 0.000 1.134 223 N CA 0.332 53.396 53.050 0.024 0.000 0.878 223 N CB -0.129 38.370 38.487 0.020 0.000 0.972 223 N HN 0.428 nan 8.380 nan 0.000 0.456 224 E N 1.889 122.105 120.200 0.026 0.000 2.242 224 E HA 0.373 4.723 4.350 0.000 0.000 0.275 224 E C -2.242 174.366 176.600 0.014 0.000 1.002 224 E CA -2.053 54.360 56.400 0.023 0.000 0.841 224 E CB 1.255 30.974 29.700 0.031 0.000 1.109 224 E HN 0.201 nan 8.360 nan 0.000 0.394 225 P HA 0.063 nan 4.420 nan 0.000 0.272 225 P C -1.924 175.375 177.300 -0.002 0.000 1.240 225 P CA -1.073 62.029 63.100 0.003 0.000 0.791 225 P CB 0.219 31.922 31.700 0.005 0.000 0.978 226 P HA -0.201 nan 4.420 nan 0.000 0.216 226 P C 1.678 178.960 177.300 -0.029 0.000 1.150 226 P CA 2.037 65.118 63.100 -0.030 0.000 0.843 226 P CB -0.720 30.956 31.700 -0.040 0.000 0.787 227 G N 0.567 109.358 108.800 -0.014 0.000 2.440 227 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 227 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 227 G C 1.842 176.748 174.900 0.009 0.000 1.154 227 G CA 1.250 46.348 45.100 -0.003 0.000 0.767 227 G HN 0.393 nan 8.290 nan 0.000 0.552 228 A N 0.520 123.348 122.820 0.013 0.000 1.930 228 A HA 0.049 4.369 4.320 0.000 0.000 0.217 228 A C 2.427 180.024 177.584 0.022 0.000 1.175 228 A CA 1.461 53.511 52.037 0.022 0.000 0.627 228 A CB -0.313 18.702 19.000 0.025 0.000 0.815 228 A HN 0.354 nan 8.150 nan 0.000 0.443 229 R N -0.698 119.808 120.500 0.010 0.000 2.189 229 R HA 0.071 4.411 4.340 0.000 0.000 0.218 229 R C 2.195 178.503 176.300 0.014 0.000 1.074 229 R CA 0.816 56.923 56.100 0.010 0.000 0.991 229 R CB -0.244 30.052 30.300 -0.007 0.000 0.883 229 R HN 0.507 nan 8.270 nan 0.000 0.457 230 A N 0.568 123.380 122.820 -0.013 0.000 2.016 230 A HA -0.015 4.305 4.320 0.000 0.000 0.217 230 A C 1.831 179.485 177.584 0.115 0.000 1.162 230 A CA 0.807 52.818 52.037 -0.044 0.000 0.662 230 A CB 0.128 19.058 19.000 -0.117 0.000 0.812 230 A HN 0.031 nan 8.150 nan 0.000 0.450 231 R N -1.413 119.137 120.500 0.083 0.000 2.250 231 R HA 0.129 4.469 4.340 0.000 0.000 0.194 231 R C 1.849 178.165 176.300 0.026 0.000 0.927 231 R CA 0.880 57.022 56.100 0.071 0.000 1.052 231 R CB -1.190 29.143 30.300 0.056 0.000 1.055 231 R HN 0.346 nan 8.270 nan 0.000 0.537 232 V N 1.727 121.657 119.914 0.026 0.000 2.568 232 V HA -0.200 3.920 4.120 0.000 0.000 0.253 232 V C 2.102 178.168 176.094 -0.047 0.000 1.072 232 V CA 2.020 64.316 62.300 -0.008 0.000 1.084 232 V CB -0.418 31.407 31.823 0.004 0.000 0.676 232 V HN 0.300 nan 8.190 nan 0.000 0.469 233 A N -0.518 122.279 122.820 -0.037 0.000 1.972 233 A HA -0.097 4.223 4.320 0.000 0.000 0.219 233 A C 2.129 179.620 177.584 -0.155 0.000 1.169 233 A CA 1.830 53.796 52.037 -0.118 0.000 0.635 233 A CB -0.415 18.492 19.000 -0.156 0.000 0.810 233 A HN 0.566 nan 8.150 nan 0.000 0.446 234 L N -0.867 120.276 121.223 -0.132 0.000 2.109 234 L HA -0.122 4.218 4.340 0.000 0.000 0.207 234 L C 2.738 179.522 176.870 -0.144 0.000 1.086 234 L CA 1.707 56.442 54.840 -0.175 0.000 0.760 234 L CB -1.180 40.739 42.059 -0.234 0.000 0.910 234 L HN 0.353 nan 8.230 nan 0.000 0.437 235 T N 0.015 114.504 114.554 -0.107 0.000 2.652 235 T HA -0.159 4.191 4.350 0.000 0.000 0.267 235 T C 1.860 176.510 174.700 -0.084 0.000 1.039 235 T CA 1.541 63.591 62.100 -0.083 0.000 1.153 235 T CB -0.650 68.186 68.868 -0.053 0.000 0.863 235 T HN 0.539 nan 8.240 nan 0.000 0.428 236 G N 1.687 110.432 108.800 -0.091 0.000 2.446 236 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 236 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 236 G C 1.570 176.422 174.900 -0.080 0.000 1.168 236 G CA 1.093 46.141 45.100 -0.087 0.000 0.771 236 G HN 0.473 nan 8.290 nan 0.000 0.551 237 L N 0.971 122.128 121.223 -0.111 0.000 2.042 237 L HA -0.042 4.299 4.340 0.000 0.000 0.210 237 L C 2.730 179.555 176.870 -0.075 0.000 1.076 237 L CA 2.884 57.660 54.840 -0.106 0.000 0.749 237 L CB -1.173 40.796 42.059 -0.150 0.000 0.893 237 L HN 0.176 nan 8.230 nan 0.000 0.432 238 T N -0.610 113.894 114.554 -0.083 0.000 2.720 238 T HA -0.188 4.163 4.350 0.000 0.000 0.268 238 T C 1.981 176.642 174.700 -0.064 0.000 1.037 238 T CA 1.811 63.870 62.100 -0.069 0.000 1.144 238 T CB -0.564 68.257 68.868 -0.079 0.000 0.864 238 T HN 0.256 nan 8.240 nan 0.000 0.444 239 V N 1.739 121.608 119.914 -0.075 0.000 2.287 239 V HA -0.208 3.912 4.120 0.000 0.000 0.248 239 V C 2.910 178.992 176.094 -0.020 0.000 1.053 239 V CA 1.817 64.055 62.300 -0.103 0.000 1.027 239 V CB -1.264 30.533 31.823 -0.042 0.000 0.646 239 V HN 0.554 nan 8.190 nan 0.000 0.447 240 A N -0.640 122.231 122.820 0.085 0.000 1.933 240 A HA -0.266 4.054 4.320 0.000 0.000 0.218 240 A C 2.165 179.823 177.584 0.123 0.000 1.175 240 A CA 1.962 54.105 52.037 0.176 0.000 0.628 240 A CB -0.529 18.520 19.000 0.082 0.000 0.814 240 A HN 0.635 nan 8.150 nan 0.000 0.444 241 E N -1.712 118.511 120.200 0.038 0.000 2.118 241 E HA -0.239 4.111 4.350 0.000 0.000 0.195 241 E C 1.819 178.427 176.600 0.014 0.000 0.992 241 E CA 1.545 57.954 56.400 0.016 0.000 0.804 241 E CB -0.317 29.378 29.700 -0.009 0.000 0.741 241 E HN 0.819 nan 8.360 nan 0.000 0.458 242 Y N 0.327 120.539 120.300 -0.146 0.000 2.114 242 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 242 Y C 1.811 177.624 175.900 -0.145 0.000 1.143 242 Y CA 1.736 59.702 58.100 -0.223 0.000 1.135 242 Y CB -0.403 37.800 38.460 -0.429 0.000 0.980 242 Y HN -0.027 nan 8.280 nan 0.000 0.499 243 F N -0.102 119.949 119.950 0.167 0.000 2.333 243 F HA -0.132 4.395 4.527 0.000 0.000 0.300 243 F C 2.683 178.508 175.800 0.041 0.000 1.083 243 F CA 1.116 59.197 58.000 0.135 0.000 1.395 243 F CB -0.244 38.903 39.000 0.246 0.000 1.056 243 F HN 0.002 nan 8.300 nan 0.000 0.529 244 R N 0.410 121.007 120.500 0.162 0.000 2.062 244 R HA -0.104 4.236 4.340 0.000 0.000 0.226 244 R C 1.353 177.653 176.300 0.001 0.000 1.125 244 R CA 1.768 57.913 56.100 0.076 0.000 0.966 244 R CB -0.090 30.236 30.300 0.044 0.000 0.861 244 R HN 0.155 nan 8.270 nan 0.000 0.433 245 D N -0.129 120.233 120.400 -0.064 0.000 2.527 245 D HA -0.045 4.595 4.640 0.000 0.000 0.249 245 D C 1.686 177.887 176.300 -0.165 0.000 1.029 245 D CA 0.589 54.531 54.000 -0.097 0.000 0.951 245 D CB -0.345 40.400 40.800 -0.092 0.000 1.093 245 D HN 0.064 nan 8.370 nan 0.000 0.464 246 Q N 0.494 120.090 119.800 -0.342 0.000 2.541 246 Q HA -0.033 4.307 4.340 0.000 0.000 0.215 246 Q C 0.565 176.352 176.000 -0.355 0.000 0.977 246 Q CA 0.766 56.289 55.803 -0.466 0.000 0.934 246 Q CB 0.285 28.445 28.738 -0.963 0.000 0.988 246 Q HN 0.516 nan 8.270 nan 0.000 0.521 247 E N -1.927 118.160 120.200 -0.188 0.000 2.665 247 E HA 0.147 4.497 4.350 0.000 0.000 0.225 247 E C 0.569 177.177 176.600 0.012 0.000 0.922 247 E CA 0.298 56.690 56.400 -0.013 0.000 1.242 247 E CB 1.032 30.829 29.700 0.161 0.000 1.197 247 E HN 0.317 nan 8.360 nan 0.000 0.581 248 G N 2.152 110.946 108.800 -0.010 0.000 2.187 248 G HA2 -0.306 3.654 3.960 0.000 0.000 0.261 248 G HA3 -0.306 3.654 3.960 0.000 0.000 0.261 248 G C 0.279 175.189 174.900 0.018 0.000 1.000 248 G CA 0.680 45.778 45.100 -0.003 0.000 0.718 248 G HN 0.107 nan 8.290 nan 0.000 0.519 249 Q N 0.223 120.057 119.800 0.056 0.000 2.256 249 Q HA 0.499 4.839 4.340 0.000 0.000 0.232 249 Q C -0.056 175.978 176.000 0.056 0.000 0.965 249 Q CA -0.555 55.276 55.803 0.047 0.000 0.908 249 Q CB 0.564 29.347 28.738 0.074 0.000 1.209 249 Q HN 0.240 nan 8.270 nan 0.000 0.489 250 D N 0.481 120.900 120.400 0.032 0.000 2.344 250 D HA 0.196 4.836 4.640 0.000 0.000 0.253 250 D C -1.043 175.372 176.300 0.192 0.000 1.255 250 D CA 0.128 54.187 54.000 0.098 0.000 0.894 250 D CB 0.374 41.235 40.800 0.103 0.000 1.067 250 D HN 0.072 nan 8.370 nan 0.000 0.492 251 V N 4.039 124.026 119.914 0.122 0.000 2.459 251 V HA 0.361 4.482 4.120 0.000 0.000 0.295 251 V C 0.340 176.401 176.094 -0.054 0.000 1.029 251 V CA -0.887 61.472 62.300 0.098 0.000 0.874 251 V CB 1.639 33.541 31.823 0.133 0.000 0.985 251 V HN 0.311 nan 8.190 nan 0.000 0.438 252 L N 5.283 126.427 121.223 -0.132 0.000 2.289 252 L HA 0.590 4.930 4.340 0.000 0.000 0.285 252 L C -0.679 176.055 176.870 -0.228 0.000 1.049 252 L CA -0.559 54.104 54.840 -0.294 0.000 0.804 252 L CB 1.502 43.375 42.059 -0.309 0.000 1.195 252 L HN 0.452 nan 8.230 nan 0.000 0.428 253 L N 3.873 124.848 121.223 -0.415 0.000 2.343 253 L HA 0.572 4.912 4.340 0.000 0.000 0.278 253 L C -1.276 175.278 176.870 -0.527 0.000 0.996 253 L CA 0.103 54.761 54.840 -0.303 0.000 0.831 253 L CB 1.162 43.102 42.059 -0.199 0.000 1.232 253 L HN 0.203 nan 8.230 nan 0.000 0.413 254 F N 5.824 125.678 119.950 -0.160 0.000 2.458 254 F HA 0.647 5.174 4.527 0.000 0.000 0.336 254 F C 0.015 175.484 175.800 -0.552 0.000 1.114 254 F CA -0.506 57.337 58.000 -0.262 0.000 0.987 254 F CB 1.584 40.534 39.000 -0.083 0.000 1.130 254 F HN 0.222 nan 8.300 nan 0.000 0.458 255 I N 2.670 123.042 120.570 -0.331 0.000 2.468 255 I HA 0.277 4.447 4.170 0.000 0.000 0.285 255 I C -1.480 174.445 176.117 -0.319 0.000 1.039 255 I CA -0.529 60.519 61.300 -0.421 0.000 1.074 255 I CB 1.992 39.819 38.000 -0.290 0.000 1.228 255 I HN 0.427 nan 8.210 nan 0.000 0.436 256 D N 6.188 126.366 120.400 -0.370 0.000 2.473 256 D HA 0.284 4.924 4.640 0.000 0.000 0.253 256 D C -1.267 175.013 176.300 -0.033 0.000 1.233 256 D CA -0.199 53.743 54.000 -0.096 0.000 0.908 256 D CB 1.259 42.111 40.800 0.087 0.000 1.170 256 D HN 0.421 nan 8.370 nan 0.000 0.558 257 N N 4.179 122.886 118.700 0.012 0.000 2.295 257 N HA 0.176 4.916 4.740 0.000 0.000 0.293 257 N C 0.403 175.941 175.510 0.047 0.000 1.040 257 N CA -0.497 52.577 53.050 0.039 0.000 0.840 257 N CB 1.699 40.261 38.487 0.125 0.000 1.468 257 N HN 0.334 nan 8.380 nan 0.000 0.478 258 I N 3.857 124.427 120.570 0.000 0.000 3.001 258 I HA -0.041 4.129 4.170 0.000 0.000 0.268 258 I C 1.579 177.763 176.117 0.113 0.000 1.267 258 I CA 0.570 61.864 61.300 -0.011 0.000 1.472 258 I CB -0.478 37.447 38.000 -0.125 0.000 1.089 258 I HN 0.601 nan 8.210 nan 0.000 0.468 259 F N 1.207 121.188 119.950 0.051 0.000 2.216 259 F HA -0.181 4.346 4.527 0.000 0.000 0.300 259 F C 2.252 178.143 175.800 0.151 0.000 1.085 259 F CA 1.387 59.463 58.000 0.127 0.000 1.326 259 F CB -0.309 38.813 39.000 0.203 0.000 1.027 259 F HN -0.045 nan 8.300 nan 0.000 0.497 260 R N 0.018 120.513 120.500 -0.009 0.000 2.189 260 R HA -0.179 4.161 4.340 0.000 0.000 0.223 260 R C 2.175 178.398 176.300 -0.128 0.000 1.092 260 R CA 1.310 57.335 56.100 -0.125 0.000 0.989 260 R CB -1.657 28.663 30.300 0.034 0.000 0.876 260 R HN 0.501 nan 8.270 nan 0.000 0.457 261 F N 1.805 121.648 119.950 -0.178 0.000 2.102 261 F HA -0.202 4.325 4.527 0.000 0.000 0.298 261 F C 1.940 177.638 175.800 -0.170 0.000 1.105 261 F CA 1.770 59.682 58.000 -0.147 0.000 1.239 261 F CB -0.341 38.586 39.000 -0.122 0.000 0.991 261 F HN -0.122 nan 8.300 nan 0.000 0.474 262 T N 0.174 114.583 114.554 -0.242 0.000 2.812 262 T HA -0.216 4.134 4.350 0.000 0.000 0.264 262 T C 1.896 176.391 174.700 -0.341 0.000 1.042 262 T CA 1.450 63.355 62.100 -0.324 0.000 1.140 262 T CB -0.414 68.388 68.868 -0.110 0.000 0.870 262 T HN 0.441 nan 8.240 nan 0.000 0.445 263 Q N 0.744 120.211 119.800 -0.554 0.000 2.096 263 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 263 Q C 2.516 178.373 176.000 -0.238 0.000 0.982 263 Q CA 1.584 57.130 55.803 -0.429 0.000 0.850 263 Q CB -0.318 28.043 28.738 -0.629 0.000 0.901 263 Q HN 0.532 nan 8.270 nan 0.000 0.422 264 A N 0.483 123.154 122.820 -0.249 0.000 1.908 264 A HA -0.159 4.162 4.320 0.000 0.000 0.218 264 A C 2.270 179.746 177.584 -0.180 0.000 1.181 264 A CA 1.796 53.727 52.037 -0.177 0.000 0.627 264 A CB -1.393 17.511 19.000 -0.160 0.000 0.818 264 A HN 0.618 nan 8.150 nan 0.000 0.445 265 G N -0.093 108.548 108.800 -0.264 0.000 2.418 265 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 265 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 265 G C 1.983 176.812 174.900 -0.118 0.000 1.158 265 G CA 1.885 46.854 45.100 -0.218 0.000 0.771 265 G HN 0.934 nan 8.290 nan 0.000 0.545 266 S N 0.485 116.131 115.700 -0.090 0.000 2.399 266 S HA -0.083 4.387 4.470 0.000 0.000 0.231 266 S C 1.958 176.517 174.600 -0.067 0.000 1.022 266 S CA 1.670 59.839 58.200 -0.051 0.000 0.983 266 S CB -0.322 62.846 63.200 -0.053 0.000 0.803 266 S HN 0.576 nan 8.310 nan 0.000 0.480 267 E N 0.673 120.828 120.200 -0.075 0.000 2.110 267 E HA -0.084 4.266 4.350 0.000 0.000 0.193 267 E C 2.038 178.611 176.600 -0.045 0.000 0.988 267 E CA 1.567 57.933 56.400 -0.057 0.000 0.804 267 E CB -0.187 29.480 29.700 -0.054 0.000 0.745 267 E HN 0.719 nan 8.360 nan 0.000 0.458 268 V N -2.638 117.247 119.914 -0.049 0.000 3.621 268 V HA 0.144 4.264 4.120 0.000 0.000 0.285 268 V C 1.944 178.021 176.094 -0.029 0.000 1.346 268 V CA 0.609 62.888 62.300 -0.035 0.000 1.104 268 V CB 0.756 32.559 31.823 -0.035 0.000 0.913 268 V HN 0.027 nan 8.190 nan 0.000 0.432 269 S N 1.574 117.255 115.700 -0.032 0.000 2.370 269 S HA -0.160 4.310 4.470 0.000 0.000 0.226 269 S C 2.183 176.776 174.600 -0.012 0.000 1.033 269 S CA 2.136 60.323 58.200 -0.021 0.000 1.011 269 S CB -0.407 62.785 63.200 -0.014 0.000 0.852 269 S HN 0.983 nan 8.310 nan 0.000 0.457 270 A N 1.048 123.860 122.820 -0.013 0.000 1.933 270 A HA 0.073 4.393 4.320 0.000 0.000 0.218 270 A C 2.110 179.691 177.584 -0.005 0.000 1.175 270 A CA 1.254 53.287 52.037 -0.008 0.000 0.628 270 A CB -0.644 18.349 19.000 -0.011 0.000 0.814 270 A HN 0.582 nan 8.150 nan 0.000 0.444 271 L N -0.696 120.523 121.223 -0.007 0.000 2.395 271 L HA 0.011 4.351 4.340 0.000 0.000 0.218 271 L C 1.709 178.578 176.870 -0.000 0.000 1.130 271 L CA 0.335 55.173 54.840 -0.004 0.000 0.826 271 L CB -0.257 41.799 42.059 -0.005 0.000 0.941 271 L HN 0.348 nan 8.230 nan 0.000 0.451 272 L N -0.266 120.956 121.223 -0.002 0.000 2.591 272 L HA 0.165 4.505 4.340 0.000 0.000 0.228 272 L C 1.237 178.110 176.870 0.004 0.000 1.133 272 L CA 0.388 55.228 54.840 0.001 0.000 0.880 272 L CB -0.378 41.678 42.059 -0.004 0.000 1.033 272 L HN 0.428 nan 8.230 nan 0.000 0.450 273 G N 0.938 109.740 108.800 0.003 0.000 2.182 273 G HA2 -0.264 3.696 3.960 0.000 0.000 0.248 273 G HA3 -0.264 3.696 3.960 0.000 0.000 0.248 273 G C -0.025 174.879 174.900 0.006 0.000 1.042 273 G CA -0.261 44.842 45.100 0.005 0.000 0.775 273 G HN 0.281 nan 8.290 nan 0.000 0.501 274 R N -0.633 119.870 120.500 0.005 0.000 2.404 274 R HA 0.669 5.010 4.340 0.000 0.000 0.291 274 R C 1.135 177.441 176.300 0.010 0.000 1.025 274 R CA -0.733 55.372 56.100 0.009 0.000 0.991 274 R CB 0.802 31.108 30.300 0.010 0.000 1.053 274 R HN 0.324 nan 8.270 nan 0.000 0.479 275 I N 5.291 125.869 120.570 0.013 0.000 2.618 275 I HA 0.089 4.259 4.170 0.000 0.000 0.284 275 I C -1.568 174.562 176.117 0.021 0.000 1.146 275 I CA -1.498 59.811 61.300 0.015 0.000 1.425 275 I CB 0.628 38.638 38.000 0.016 0.000 1.383 275 I HN 0.345 nan 8.210 nan 0.000 0.562 276 P HA 0.048 nan 4.420 nan 0.000 0.271 276 P C -0.360 176.966 177.300 0.045 0.000 1.218 276 P CA -0.181 62.936 63.100 0.029 0.000 0.780 276 P CB 1.206 32.915 31.700 0.015 0.000 0.901 277 S N 1.598 117.341 115.700 0.071 0.000 2.646 277 S HA 0.557 5.027 4.470 0.000 0.000 0.273 277 S C 0.222 174.882 174.600 0.100 0.000 1.168 277 S CA -0.367 57.884 58.200 0.085 0.000 1.013 277 S CB 0.058 63.320 63.200 0.103 0.000 1.098 277 S HN 0.611 nan 8.310 nan 0.000 0.544 278 A N 0.298 123.184 122.820 0.109 0.000 2.520 278 A HA 0.403 4.723 4.320 0.000 0.000 0.235 278 A C 1.028 178.719 177.584 0.179 0.000 1.065 278 A CA 0.338 52.444 52.037 0.115 0.000 0.764 278 A CB -0.721 18.340 19.000 0.101 0.000 1.002 278 A HN 1.695 nan 8.150 nan 0.000 0.502 279 V N 0.862 120.851 119.914 0.125 0.000 3.774 279 V HA -0.297 3.823 4.120 0.000 0.000 0.216 279 V C 1.713 177.785 176.094 -0.036 0.000 0.441 279 V CA 1.677 64.042 62.300 0.109 0.000 0.985 279 V CB -2.467 29.504 31.823 0.246 0.000 1.085 279 V HN 2.939 nan 8.190 nan 0.000 1.240 280 G N -2.488 106.296 108.800 -0.026 0.000 2.159 280 G HA2 -0.332 3.628 3.960 0.000 0.000 0.256 280 G HA3 -0.332 3.628 3.960 0.000 0.000 0.256 280 G C -0.190 174.609 174.900 -0.169 0.000 0.977 280 G CA 0.396 45.428 45.100 -0.113 0.000 0.652 280 G HN 0.874 nan 8.290 nan 0.000 0.531 281 Y N 1.464 121.786 120.300 0.038 0.000 2.307 281 Y HA 0.448 4.998 4.550 0.000 0.000 0.324 281 Y C 1.364 177.271 175.900 0.011 0.000 1.238 281 Y CA -0.394 57.722 58.100 0.028 0.000 1.280 281 Y CB 0.618 39.105 38.460 0.046 0.000 1.248 281 Y HN 0.373 nan 8.280 nan 0.000 0.508 282 Q N 2.483 122.393 119.800 0.183 0.000 2.326 282 Q HA -0.044 4.296 4.340 0.000 0.000 0.314 282 Q C -2.364 173.693 176.000 0.096 0.000 1.091 282 Q CA -1.037 54.823 55.803 0.095 0.000 0.974 282 Q CB 0.377 29.145 28.738 0.049 0.000 1.220 282 Q HN 0.433 nan 8.270 nan 0.000 0.398 283 P HA -0.114 nan 4.420 nan 0.000 0.221 283 P C 0.992 178.319 177.300 0.045 0.000 1.145 283 P CA 1.866 64.998 63.100 0.053 0.000 0.795 283 P CB -0.005 31.718 31.700 0.037 0.000 0.775 284 T N -4.252 110.326 114.554 0.039 0.000 3.188 284 T HA 0.130 4.480 4.350 0.000 0.000 0.250 284 T C 1.495 176.220 174.700 0.040 0.000 1.077 284 T CA -0.267 61.854 62.100 0.035 0.000 0.967 284 T CB -1.064 67.818 68.868 0.025 0.000 1.006 284 T HN -0.025 nan 8.240 nan 0.000 0.552 285 L N 1.046 122.292 121.223 0.038 0.000 2.010 285 L HA -0.206 4.134 4.340 0.000 0.000 0.219 285 L C 2.791 179.694 176.870 0.056 0.000 1.077 285 L CA 2.268 57.122 54.840 0.024 0.000 0.773 285 L CB -0.707 41.332 42.059 -0.034 0.000 0.892 285 L HN 0.426 nan 8.230 nan 0.000 0.436 286 A N -1.195 121.659 122.820 0.057 0.000 1.929 286 A HA -0.154 4.167 4.320 0.000 0.000 0.216 286 A C 2.299 179.944 177.584 0.103 0.000 1.176 286 A CA 1.777 53.865 52.037 0.085 0.000 0.628 286 A CB -1.020 18.022 19.000 0.069 0.000 0.816 286 A HN 0.642 nan 8.150 nan 0.000 0.444 287 T N -1.822 112.781 114.554 0.080 0.000 2.812 287 T HA -0.138 4.212 4.350 0.000 0.000 0.264 287 T C 1.390 176.148 174.700 0.097 0.000 1.042 287 T CA 1.395 63.542 62.100 0.079 0.000 1.140 287 T CB -0.529 68.373 68.868 0.056 0.000 0.870 287 T HN 0.310 nan 8.240 nan 0.000 0.445 288 D N 1.111 121.581 120.400 0.117 0.000 2.106 288 D HA -0.113 4.527 4.640 0.000 0.000 0.191 288 D C 1.986 178.452 176.300 0.276 0.000 0.997 288 D CA 1.293 55.414 54.000 0.201 0.000 0.834 288 D CB -0.475 40.422 40.800 0.161 0.000 0.956 288 D HN 0.374 nan 8.370 nan 0.000 0.448 289 M N 0.279 120.015 119.600 0.226 0.000 2.117 289 M HA -0.097 4.383 4.480 0.000 0.000 0.262 289 M C 2.017 178.252 176.300 -0.109 0.000 1.065 289 M CA 1.982 57.321 55.300 0.065 0.000 1.114 289 M CB -0.236 32.405 32.600 0.068 0.000 1.361 289 M HN 0.053 nan 8.290 nan 0.000 0.408 290 G N -0.405 108.412 108.800 0.030 0.000 2.453 290 G HA2 -0.292 3.668 3.960 0.000 0.000 0.215 290 G HA3 -0.292 3.668 3.960 0.000 0.000 0.215 290 G C 1.383 176.288 174.900 0.008 0.000 1.201 290 G CA 1.666 46.810 45.100 0.073 0.000 0.784 290 G HN 0.579 nan 8.290 nan 0.000 0.545 291 T N -1.705 112.862 114.554 0.023 0.000 2.929 291 T HA -0.041 4.309 4.350 0.000 0.000 0.271 291 T C 2.158 176.830 174.700 -0.045 0.000 1.085 291 T CA 1.631 63.739 62.100 0.013 0.000 1.125 291 T CB -0.108 68.790 68.868 0.050 0.000 0.874 291 T HN 0.167 nan 8.240 nan 0.000 0.494 292 M N 0.002 119.528 119.600 -0.124 0.000 2.276 292 M HA 0.051 4.531 4.480 0.000 0.000 0.262 292 M C 2.323 178.452 176.300 -0.284 0.000 1.098 292 M CA 1.239 56.381 55.300 -0.264 0.000 1.167 292 M CB -0.476 31.797 32.600 -0.544 0.000 1.337 292 M HN 0.159 nan 8.290 nan 0.000 0.446 293 Q N 0.739 120.333 119.800 -0.345 0.000 2.084 293 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 293 Q C 1.697 177.597 176.000 -0.166 0.000 0.978 293 Q CA 1.289 56.874 55.803 -0.364 0.000 0.844 293 Q CB -0.491 27.778 28.738 -0.782 0.000 0.898 293 Q HN 0.534 nan 8.270 nan 0.000 0.426 294 E N 0.254 120.407 120.200 -0.079 0.000 2.463 294 E HA -0.125 4.225 4.350 0.000 0.000 0.201 294 E C 1.697 178.281 176.600 -0.027 0.000 1.045 294 E CA 0.437 56.837 56.400 0.001 0.000 0.872 294 E CB 0.023 29.748 29.700 0.042 0.000 0.797 294 E HN 0.298 nan 8.360 nan 0.000 0.538 295 R N -0.129 120.329 120.500 -0.069 0.000 2.189 295 R HA 0.181 4.521 4.340 0.000 0.000 0.203 295 R C 0.976 177.228 176.300 -0.081 0.000 1.012 295 R CA 0.095 56.154 56.100 -0.068 0.000 1.015 295 R CB 0.277 30.527 30.300 -0.083 0.000 0.938 295 R HN 0.045 nan 8.270 nan 0.000 0.472 296 I N 1.851 122.355 120.570 -0.110 0.000 2.352 296 I HA 0.016 4.186 4.170 0.000 0.000 0.303 296 I C -0.072 175.995 176.117 -0.084 0.000 1.194 296 I CA 0.446 61.676 61.300 -0.116 0.000 1.518 296 I CB 0.350 38.251 38.000 -0.165 0.000 1.489 296 I HN -0.067 nan 8.210 nan 0.000 0.702 297 T N 2.655 117.171 114.554 -0.063 0.000 2.885 297 T HA 0.261 4.611 4.350 0.000 0.000 0.322 297 T C -0.277 174.398 174.700 -0.040 0.000 1.387 297 T CA -0.403 61.670 62.100 -0.046 0.000 1.041 297 T CB 1.482 70.335 68.868 -0.025 0.000 1.287 297 T HN 0.248 nan 8.240 nan 0.000 0.491 298 T N 3.629 118.160 114.554 -0.039 0.000 2.901 298 T HA 0.520 4.870 4.350 0.000 0.000 0.301 298 T C 0.625 175.305 174.700 -0.034 0.000 1.012 298 T CA -0.124 61.956 62.100 -0.033 0.000 1.135 298 T CB 0.569 69.417 68.868 -0.033 0.000 0.936 298 T HN 0.840 nan 8.240 nan 0.000 0.539 299 T N 0.271 114.806 114.554 -0.032 0.000 2.807 299 T HA 0.483 4.834 4.350 0.000 0.000 0.277 299 T C 1.044 175.721 174.700 -0.039 0.000 1.006 299 T CA -1.046 61.032 62.100 -0.038 0.000 1.006 299 T CB 1.380 70.228 68.868 -0.032 0.000 1.274 299 T HN 0.360 nan 8.240 nan 0.000 0.569 300 K N -0.085 120.288 120.400 -0.045 0.000 2.288 300 K HA 0.090 4.410 4.320 0.000 0.000 0.201 300 K C 2.126 178.707 176.600 -0.031 0.000 1.048 300 K CA 0.776 57.038 56.287 -0.041 0.000 0.956 300 K CB -0.030 32.442 32.500 -0.047 0.000 0.746 300 K HN 0.441 nan 8.250 nan 0.000 0.461 301 K N -0.208 120.175 120.400 -0.029 0.000 2.296 301 K HA 0.019 4.339 4.320 0.000 0.000 0.200 301 K C 0.648 177.237 176.600 -0.020 0.000 1.048 301 K CA 0.586 56.858 56.287 -0.026 0.000 0.966 301 K CB 0.547 33.030 32.500 -0.029 0.000 0.754 301 K HN 0.203 nan 8.250 nan 0.000 0.466 302 G N -0.449 108.342 108.800 -0.016 0.000 2.466 302 G HA2 0.180 4.140 3.960 0.000 0.000 0.291 302 G HA3 0.180 4.140 3.960 0.000 0.000 0.291 302 G C -1.755 173.143 174.900 -0.004 0.000 1.460 302 G CA -0.623 44.475 45.100 -0.004 0.000 0.791 302 G HN -0.099 nan 8.290 nan 0.000 0.505 303 S N -0.474 115.230 115.700 0.008 0.000 2.478 303 S HA 0.735 5.205 4.470 0.000 0.000 0.312 303 S C -0.489 174.111 174.600 -0.000 0.000 1.094 303 S CA -0.691 57.509 58.200 0.000 0.000 1.081 303 S CB 0.499 63.702 63.200 0.006 0.000 1.007 303 S HN 0.527 nan 8.310 nan 0.000 0.475 304 I N 4.378 124.932 120.570 -0.027 0.000 2.355 304 I HA 0.273 4.443 4.170 0.000 0.000 0.288 304 I C -0.157 175.900 176.117 -0.100 0.000 0.999 304 I CA -0.508 60.758 61.300 -0.057 0.000 1.163 304 I CB 2.091 40.053 38.000 -0.062 0.000 1.316 304 I HN 0.496 nan 8.210 nan 0.000 0.454 305 T N 4.451 118.918 114.554 -0.145 0.000 2.727 305 T HA 0.268 4.618 4.350 0.000 0.000 0.298 305 T C 0.148 174.659 174.700 -0.315 0.000 0.942 305 T CA -0.587 61.395 62.100 -0.197 0.000 0.997 305 T CB 0.504 69.261 68.868 -0.185 0.000 0.917 305 T HN 0.662 nan 8.240 nan 0.000 0.487 306 S N 2.294 117.821 115.700 -0.289 0.000 2.437 306 S HA 0.675 5.145 4.470 0.000 0.000 0.305 306 S C -0.418 173.961 174.600 -0.369 0.000 1.109 306 S CA -0.825 57.171 58.200 -0.340 0.000 1.099 306 S CB 1.185 64.239 63.200 -0.243 0.000 1.004 306 S HN 0.389 nan 8.310 nan 0.000 0.475 307 V N 3.777 123.427 119.914 -0.441 0.000 2.376 307 V HA 0.438 4.558 4.120 0.000 0.000 0.287 307 V C -0.476 175.494 176.094 -0.206 0.000 1.015 307 V CA -0.524 61.591 62.300 -0.309 0.000 0.834 307 V CB 1.060 32.766 31.823 -0.194 0.000 1.001 307 V HN 0.947 nan 8.190 nan 0.000 0.428 308 Q N 3.206 122.881 119.800 -0.210 0.000 2.333 308 Q HA 0.719 5.059 4.340 0.000 0.000 0.268 308 Q C -0.235 175.650 176.000 -0.192 0.000 1.007 308 Q CA -0.549 55.131 55.803 -0.205 0.000 0.810 308 Q CB 2.646 31.238 28.738 -0.243 0.000 1.264 308 Q HN 0.864 nan 8.270 nan 0.000 0.452 309 A N 3.890 126.637 122.820 -0.123 0.000 2.366 309 A HA 0.555 4.875 4.320 0.000 0.000 0.272 309 A C -0.330 177.186 177.584 -0.113 0.000 1.135 309 A CA -0.229 51.759 52.037 -0.082 0.000 0.804 309 A CB 0.101 19.109 19.000 0.013 0.000 1.064 309 A HN 0.759 nan 8.150 nan 0.000 0.499 310 I N 3.005 123.467 120.570 -0.180 0.000 2.476 310 I HA 0.155 4.325 4.170 0.000 0.000 0.281 310 I C -0.777 175.303 176.117 -0.063 0.000 1.040 310 I CA -0.508 60.662 61.300 -0.217 0.000 1.094 310 I CB 1.168 38.734 38.000 -0.723 0.000 1.219 310 I HN 0.743 nan 8.210 nan 0.000 0.450 311 Y N 7.047 127.301 120.300 -0.077 0.000 2.497 311 Y HA 0.318 4.868 4.550 0.000 0.000 0.334 311 Y C -0.268 175.463 175.900 -0.282 0.000 1.199 311 Y CA -0.010 57.970 58.100 -0.200 0.000 1.425 311 Y CB 0.929 39.185 38.460 -0.341 0.000 1.291 311 Y HN 0.268 nan 8.280 nan 0.000 0.562 312 V N 9.044 128.400 119.914 -0.930 0.000 2.266 312 V HA 0.279 4.399 4.120 0.000 0.000 0.271 312 V C -2.285 173.195 176.094 -1.024 0.000 1.032 312 V CA -2.039 59.866 62.300 -0.657 0.000 0.806 312 V CB 0.773 32.450 31.823 -0.244 0.000 1.052 312 V HN 0.715 nan 8.190 nan 0.000 0.449 313 P HA 0.138 nan 4.420 nan 0.000 0.266 313 P C 0.669 177.833 177.300 -0.226 0.000 1.195 313 P CA 0.752 63.535 63.100 -0.528 0.000 0.768 313 P CB 0.704 32.349 31.700 -0.093 0.000 0.838 314 A N 3.265 126.023 122.820 -0.103 0.000 2.826 314 A HA -0.268 4.052 4.320 0.000 0.000 0.274 314 A C 1.039 178.588 177.584 -0.059 0.000 1.443 314 A CA 1.283 53.300 52.037 -0.033 0.000 0.833 314 A CB -2.644 16.359 19.000 0.004 0.000 1.023 314 A HN 0.610 nan 8.150 nan 0.000 0.600 315 D N -1.887 118.442 120.400 -0.117 0.000 3.006 315 D HA -0.186 4.454 4.640 0.000 0.000 0.208 315 D C -0.147 176.114 176.300 -0.065 0.000 1.116 315 D CA 2.203 56.149 54.000 -0.090 0.000 0.998 315 D CB -0.932 39.844 40.800 -0.040 0.000 1.124 315 D HN 0.937 nan 8.370 nan 0.000 0.413 316 D N -0.051 120.312 120.400 -0.061 0.000 2.347 316 D HA 0.242 4.882 4.640 0.000 0.000 0.235 316 D C 1.370 177.670 176.300 -0.001 0.000 1.149 316 D CA -0.294 53.693 54.000 -0.021 0.000 0.850 316 D CB 0.486 41.286 40.800 0.001 0.000 1.061 316 D HN 0.101 nan 8.370 nan 0.000 0.487 317 L N 2.663 123.897 121.223 0.019 0.000 2.465 317 L HA -0.031 4.309 4.340 0.000 0.000 0.224 317 L C 2.197 179.126 176.870 0.097 0.000 1.145 317 L CA 0.979 55.867 54.840 0.080 0.000 0.834 317 L CB -0.289 41.810 42.059 0.066 0.000 0.944 317 L HN 0.487 nan 8.230 nan 0.000 0.451 318 T N -4.929 109.652 114.554 0.046 0.000 3.100 318 T HA -0.054 4.296 4.350 0.000 0.000 0.253 318 T C 0.805 175.548 174.700 0.072 0.000 1.118 318 T CA -0.404 61.721 62.100 0.042 0.000 1.058 318 T CB -0.263 68.612 68.868 0.011 0.000 0.953 318 T HN 0.193 nan 8.240 nan 0.000 0.515 319 D N 2.928 123.380 120.400 0.086 0.000 2.533 319 D HA 0.008 4.648 4.640 0.000 0.000 0.236 319 D C -1.405 174.954 176.300 0.099 0.000 1.137 319 D CA -1.251 52.824 54.000 0.124 0.000 0.867 319 D CB 1.385 42.265 40.800 0.134 0.000 1.170 319 D HN 0.029 nan 8.370 nan 0.000 0.474 320 P HA -0.249 nan 4.420 nan 0.000 0.220 320 P C 0.905 178.122 177.300 -0.138 0.000 1.155 320 P CA 2.262 65.311 63.100 -0.084 0.000 0.880 320 P CB 0.102 31.665 31.700 -0.228 0.000 0.790 321 A N -0.095 122.597 122.820 -0.214 0.000 1.828 321 A HA -0.142 4.178 4.320 0.000 0.000 0.215 321 A C 0.010 177.677 177.584 0.139 0.000 1.203 321 A CA 2.608 54.630 52.037 -0.026 0.000 0.614 321 A CB -2.290 16.883 19.000 0.289 0.000 0.844 321 A HN 0.215 nan 8.150 nan 0.000 0.445 322 P HA -0.136 nan 4.420 nan 0.000 0.216 322 P C 1.599 179.087 177.300 0.312 0.000 1.153 322 P CA 2.074 65.330 63.100 0.260 0.000 0.848 322 P CB -0.273 31.589 31.700 0.271 0.000 0.787 323 A N -0.177 122.822 122.820 0.299 0.000 1.978 323 A HA -0.158 4.162 4.320 0.000 0.000 0.220 323 A C 2.205 179.974 177.584 0.308 0.000 1.170 323 A CA 2.399 54.646 52.037 0.350 0.000 0.636 323 A CB -1.895 17.203 19.000 0.165 0.000 0.810 323 A HN 0.237 nan 8.150 nan 0.000 0.448 324 T N -0.742 113.933 114.554 0.201 0.000 3.088 324 T HA 0.002 4.352 4.350 0.000 0.000 0.259 324 T C 1.695 176.545 174.700 0.251 0.000 1.122 324 T CA 1.411 63.616 62.100 0.174 0.000 1.095 324 T CB -0.111 68.821 68.868 0.106 0.000 0.930 324 T HN 0.567 nan 8.240 nan 0.000 0.508 325 T N 1.387 116.096 114.554 0.259 0.000 2.937 325 T HA 0.127 4.477 4.350 0.000 0.000 0.260 325 T C 1.502 176.375 174.700 0.288 0.000 1.051 325 T CA 0.361 62.612 62.100 0.253 0.000 1.141 325 T CB -0.420 68.496 68.868 0.080 0.000 0.879 325 T HN 0.293 nan 8.240 nan 0.000 0.459 326 F N 2.300 122.436 119.950 0.309 0.000 2.085 326 F HA -0.232 4.295 4.527 0.000 0.000 0.299 326 F C 2.656 178.520 175.800 0.105 0.000 1.096 326 F CA 1.329 59.453 58.000 0.207 0.000 1.227 326 F CB -0.521 38.479 39.000 0.001 0.000 0.983 326 F HN 0.157 nan 8.300 nan 0.000 0.482 327 A N -1.765 121.167 122.820 0.186 0.000 2.216 327 A HA -0.139 4.181 4.320 0.000 0.000 0.214 327 A C 1.480 178.992 177.584 -0.120 0.000 1.160 327 A CA 1.009 53.042 52.037 -0.006 0.000 0.725 327 A CB -0.921 18.015 19.000 -0.108 0.000 0.784 327 A HN 0.493 nan 8.150 nan 0.000 0.472 328 H N -1.026 118.094 119.070 0.083 0.000 2.539 328 H HA 0.333 4.889 4.556 0.000 0.000 0.269 328 H C -0.076 175.261 175.328 0.015 0.000 0.980 328 H CA 0.273 56.339 56.048 0.030 0.000 1.152 328 H CB 0.121 29.879 29.762 -0.006 0.000 1.407 328 H HN 0.359 nan 8.280 nan 0.000 0.564 329 L N -0.003 121.297 121.223 0.129 0.000 2.319 329 L HA 0.251 4.591 4.340 0.000 0.000 0.267 329 L C 0.680 177.593 176.870 0.073 0.000 1.011 329 L CA -0.612 54.280 54.840 0.087 0.000 0.818 329 L CB 1.881 44.010 42.059 0.116 0.000 1.316 329 L HN -0.120 nan 8.230 nan 0.000 0.432 330 D N 0.312 120.737 120.400 0.042 0.000 2.423 330 D HA 0.241 4.882 4.640 0.000 0.000 0.212 330 D C 0.121 176.461 176.300 0.067 0.000 1.060 330 D CA 0.439 54.466 54.000 0.045 0.000 0.872 330 D CB 1.355 42.169 40.800 0.022 0.000 1.012 330 D HN 0.490 nan 8.370 nan 0.000 0.503 331 A N 0.788 123.645 122.820 0.061 0.000 2.449 331 A HA 0.598 4.918 4.320 0.000 0.000 0.302 331 A C -0.465 177.200 177.584 0.134 0.000 1.048 331 A CA -0.568 51.541 52.037 0.119 0.000 0.708 331 A CB 1.577 20.684 19.000 0.179 0.000 1.274 331 A HN -0.032 nan 8.150 nan 0.000 0.410 332 T N -0.623 114.063 114.554 0.220 0.000 2.812 332 T HA 0.665 5.015 4.350 0.000 0.000 0.282 332 T C -0.493 174.391 174.700 0.308 0.000 0.990 332 T CA -0.453 61.831 62.100 0.306 0.000 0.960 332 T CB 1.179 70.278 68.868 0.385 0.000 0.948 332 T HN 0.470 nan 8.240 nan 0.000 0.438 333 T N 3.393 118.146 114.554 0.332 0.000 2.770 333 T HA 0.486 4.837 4.350 0.000 0.000 0.297 333 T C -0.086 174.802 174.700 0.314 0.000 0.997 333 T CA -0.554 61.729 62.100 0.304 0.000 0.949 333 T CB 0.845 69.910 68.868 0.330 0.000 0.941 333 T HN 0.636 nan 8.240 nan 0.000 0.457 334 V N 5.544 125.604 119.914 0.243 0.000 2.350 334 V HA 0.333 4.453 4.120 0.000 0.000 0.276 334 V C -0.287 175.899 176.094 0.152 0.000 1.028 334 V CA -0.913 61.518 62.300 0.218 0.000 0.860 334 V CB 0.892 32.801 31.823 0.143 0.000 0.990 334 V HN 0.607 nan 8.190 nan 0.000 0.453 335 L N 4.168 125.485 121.223 0.156 0.000 2.357 335 L HA 0.605 4.945 4.340 0.000 0.000 0.273 335 L C 0.396 177.308 176.870 0.070 0.000 1.080 335 L CA 0.557 55.461 54.840 0.107 0.000 0.803 335 L CB 1.555 43.687 42.059 0.121 0.000 1.174 335 L HN 0.728 nan 8.230 nan 0.000 0.443 336 S N 2.296 118.015 115.700 0.032 0.000 2.538 336 S HA 0.452 4.922 4.470 0.000 0.000 0.288 336 S C 0.858 175.450 174.600 -0.012 0.000 1.108 336 S CA -0.698 57.508 58.200 0.009 0.000 0.971 336 S CB 1.288 64.486 63.200 -0.003 0.000 1.041 336 S HN 0.701 nan 8.310 nan 0.000 0.483 337 R N 2.882 123.378 120.500 -0.007 0.000 2.115 337 R HA 0.010 4.350 4.340 0.000 0.000 0.230 337 R C 2.070 178.350 176.300 -0.033 0.000 1.111 337 R CA 1.578 57.671 56.100 -0.012 0.000 0.976 337 R CB -0.621 29.681 30.300 0.002 0.000 0.870 337 R HN 0.780 nan 8.270 nan 0.000 0.445 338 A N 0.867 123.668 122.820 -0.031 0.000 1.972 338 A HA -0.125 4.196 4.320 0.000 0.000 0.219 338 A C 2.021 179.572 177.584 -0.053 0.000 1.169 338 A CA 1.221 53.237 52.037 -0.035 0.000 0.635 338 A CB -0.343 18.640 19.000 -0.029 0.000 0.810 338 A HN 0.339 nan 8.150 nan 0.000 0.446 339 I N -0.815 119.714 120.570 -0.068 0.000 2.339 339 I HA -0.134 4.036 4.170 0.000 0.000 0.245 339 I C 2.954 178.952 176.117 -0.198 0.000 1.096 339 I CA 0.832 62.072 61.300 -0.098 0.000 1.408 339 I CB -0.490 37.463 38.000 -0.078 0.000 1.092 339 I HN 0.316 nan 8.210 nan 0.000 0.423 340 A N 0.594 123.263 122.820 -0.252 0.000 1.940 340 A HA -0.286 4.034 4.320 0.000 0.000 0.219 340 A C 2.270 179.689 177.584 -0.275 0.000 1.176 340 A CA 1.978 53.736 52.037 -0.463 0.000 0.631 340 A CB -0.745 18.107 19.000 -0.247 0.000 0.814 340 A HN 0.495 nan 8.150 nan 0.000 0.446 341 E N -0.477 119.651 120.200 -0.121 0.000 2.209 341 E HA -0.163 4.187 4.350 0.000 0.000 0.196 341 E C 1.062 177.627 176.600 -0.058 0.000 0.993 341 E CA 0.857 57.224 56.400 -0.054 0.000 0.819 341 E CB -0.059 29.621 29.700 -0.033 0.000 0.745 341 E HN 0.468 nan 8.360 nan 0.000 0.477 342 L N -0.664 120.503 121.223 -0.093 0.000 2.591 342 L HA 0.169 4.509 4.340 0.000 0.000 0.228 342 L C 1.648 178.475 176.870 -0.072 0.000 1.133 342 L CA 1.194 55.989 54.840 -0.074 0.000 0.880 342 L CB -0.639 41.383 42.059 -0.062 0.000 1.033 342 L HN 0.363 nan 8.230 nan 0.000 0.450 343 G N 0.392 109.137 108.800 -0.092 0.000 2.159 343 G HA2 -0.243 3.717 3.960 0.000 0.000 0.256 343 G HA3 -0.243 3.717 3.960 0.000 0.000 0.256 343 G C 0.400 175.335 174.900 0.058 0.000 0.977 343 G CA -0.234 44.889 45.100 0.038 0.000 0.652 343 G HN 0.220 nan 8.290 nan 0.000 0.531 344 I N 1.037 121.514 120.570 -0.155 0.000 2.322 344 I HA 0.427 4.597 4.170 0.000 0.000 0.292 344 I C -0.037 175.836 176.117 -0.406 0.000 1.060 344 I CA -0.295 60.941 61.300 -0.106 0.000 1.309 344 I CB -0.276 37.689 38.000 -0.058 0.000 1.415 344 I HN 0.092 nan 8.210 nan 0.000 0.492 345 Y N 6.994 127.239 120.300 -0.091 0.000 2.442 345 Y HA 0.387 4.937 4.550 0.000 0.000 0.344 345 Y C -2.084 173.603 175.900 -0.355 0.000 0.976 345 Y CA -2.448 55.523 58.100 -0.214 0.000 1.040 345 Y CB 2.186 40.490 38.460 -0.260 0.000 1.228 345 Y HN 0.419 nan 8.280 nan 0.000 0.451 346 P HA 0.024 nan 4.420 nan 0.000 0.268 346 P C -0.339 176.950 177.300 -0.018 0.000 1.205 346 P CA -0.017 63.037 63.100 -0.076 0.000 0.771 346 P CB 0.987 32.701 31.700 0.024 0.000 0.858 347 A N 3.700 126.520 122.820 0.001 0.000 2.916 347 A HA 0.192 4.512 4.320 0.000 0.000 0.254 347 A C 0.500 178.084 177.584 0.001 0.000 1.544 347 A CA -0.321 51.667 52.037 -0.080 0.000 1.224 347 A CB -1.182 17.736 19.000 -0.137 0.000 1.012 347 A HN 0.379 nan 8.150 nan 0.000 0.636 348 V N 1.290 121.221 119.914 0.029 0.000 2.479 348 V HA 0.010 4.130 4.120 0.000 0.000 0.281 348 V C 0.478 176.590 176.094 0.031 0.000 1.031 348 V CA -0.438 61.896 62.300 0.055 0.000 1.038 348 V CB 0.699 32.565 31.823 0.071 0.000 0.981 348 V HN 0.566 nan 8.190 nan 0.000 0.478 349 D N 8.514 128.936 120.400 0.037 0.000 2.342 349 D HA 0.116 4.757 4.640 0.000 0.000 0.260 349 D C -1.167 175.144 176.300 0.018 0.000 1.278 349 D CA -1.850 52.162 54.000 0.020 0.000 0.910 349 D CB 1.668 42.479 40.800 0.018 0.000 1.079 349 D HN 0.307 nan 8.370 nan 0.000 0.496 350 P HA -0.038 nan 4.420 nan 0.000 0.229 350 P C 0.849 178.138 177.300 -0.017 0.000 1.160 350 P CA 0.511 63.603 63.100 -0.012 0.000 0.777 350 P CB 0.327 32.010 31.700 -0.028 0.000 0.814 351 L N -0.624 120.592 121.223 -0.013 0.000 2.928 351 L HA 0.348 4.688 4.340 0.000 0.000 0.246 351 L C 0.774 177.628 176.870 -0.027 0.000 1.239 351 L CA 0.246 55.073 54.840 -0.022 0.000 1.035 351 L CB -0.076 41.969 42.059 -0.022 0.000 1.360 351 L HN -0.183 nan 8.230 nan 0.000 0.529 352 D N -1.200 119.192 120.400 -0.014 0.000 2.530 352 D HA 0.087 4.727 4.640 0.000 0.000 0.290 352 D C -0.102 176.208 176.300 0.017 0.000 1.398 352 D CA 0.199 54.187 54.000 -0.021 0.000 0.848 352 D CB 0.877 41.660 40.800 -0.027 0.000 1.279 352 D HN -0.040 nan 8.370 nan 0.000 0.483 353 S N -0.063 115.661 115.700 0.040 0.000 2.475 353 S HA 0.731 5.201 4.470 0.000 0.000 0.298 353 S C -0.010 174.633 174.600 0.073 0.000 1.119 353 S CA -0.539 57.713 58.200 0.087 0.000 1.085 353 S CB 1.906 65.167 63.200 0.103 0.000 1.028 353 S HN 0.267 nan 8.310 nan 0.000 0.489 354 T N -1.041 113.576 114.554 0.106 0.000 2.896 354 T HA 0.810 5.160 4.350 0.000 0.000 0.297 354 T C -0.790 173.979 174.700 0.116 0.000 1.108 354 T CA -0.814 61.338 62.100 0.086 0.000 1.004 354 T CB 1.866 70.772 68.868 0.063 0.000 1.159 354 T HN 0.456 nan 8.240 nan 0.000 0.499 355 S N -0.483 115.273 115.700 0.094 0.000 2.546 355 S HA 0.412 4.882 4.470 0.000 0.000 0.272 355 S C 0.730 175.373 174.600 0.072 0.000 1.140 355 S CA -0.792 57.468 58.200 0.100 0.000 0.920 355 S CB 1.970 65.237 63.200 0.110 0.000 1.083 355 S HN 0.926 nan 8.310 nan 0.000 0.476 356 R N 2.561 123.101 120.500 0.066 0.000 2.152 356 R HA -0.023 4.317 4.340 0.000 0.000 0.232 356 R C 1.681 178.001 176.300 0.033 0.000 1.117 356 R CA 2.177 58.304 56.100 0.046 0.000 0.981 356 R CB -0.447 29.877 30.300 0.040 0.000 0.870 356 R HN 0.829 nan 8.270 nan 0.000 0.451 357 I N -2.043 118.548 120.570 0.034 0.000 3.793 357 I HA 0.150 4.320 4.170 0.000 0.000 0.315 357 I C 0.497 176.611 176.117 -0.005 0.000 1.275 357 I CA -0.231 61.075 61.300 0.012 0.000 1.214 357 I CB 0.075 38.082 38.000 0.013 0.000 1.018 357 I HN -0.021 nan 8.210 nan 0.000 0.439 358 M N 3.436 123.051 119.600 0.024 0.000 3.070 358 M HA 0.244 4.724 4.480 0.000 0.000 0.275 358 M C -0.857 175.525 176.300 0.136 0.000 1.510 358 M CA 0.017 55.354 55.300 0.061 0.000 1.608 358 M CB -1.381 31.263 32.600 0.074 0.000 1.266 358 M HN 0.321 nan 8.290 nan 0.000 0.514 359 D N 5.291 125.720 120.400 0.050 0.000 2.861 359 D HA 0.286 4.926 4.640 0.000 0.000 0.216 359 D C -2.533 173.656 176.300 -0.185 0.000 1.323 359 D CA -1.150 52.784 54.000 -0.110 0.000 0.917 359 D CB 2.229 42.983 40.800 -0.076 0.000 1.582 359 D HN 0.159 nan 8.370 nan 0.000 0.576 360 P HA -0.116 nan 4.420 nan 0.000 0.218 360 P C 0.812 178.037 177.300 -0.126 0.000 1.148 360 P CA 0.804 63.746 63.100 -0.264 0.000 0.822 360 P CB 0.415 31.866 31.700 -0.414 0.000 0.784 361 N N -0.659 117.961 118.700 -0.133 0.000 2.573 361 N HA -0.015 4.726 4.740 0.000 0.000 0.187 361 N C 1.702 177.184 175.510 -0.046 0.000 1.107 361 N CA 0.788 53.793 53.050 -0.074 0.000 0.918 361 N CB -0.161 38.282 38.487 -0.072 0.000 0.966 361 N HN 0.348 nan 8.380 nan 0.000 0.448 362 I N -0.830 119.711 120.570 -0.049 0.000 3.570 362 I HA -0.044 4.126 4.170 0.000 0.000 0.270 362 I C 1.702 177.809 176.117 -0.016 0.000 1.162 362 I CA 0.225 61.508 61.300 -0.028 0.000 1.413 362 I CB 0.102 38.084 38.000 -0.030 0.000 1.437 362 I HN -0.137 nan 8.210 nan 0.000 0.457 363 V N -0.684 119.209 119.914 -0.036 0.000 3.623 363 V HA 0.513 4.633 4.120 0.000 0.000 0.271 363 V C 0.896 177.033 176.094 0.072 0.000 1.248 363 V CA 0.130 62.411 62.300 -0.031 0.000 1.156 363 V CB -1.287 30.362 31.823 -0.290 0.000 0.870 363 V HN 0.510 nan 8.190 nan 0.000 0.453 364 G N 1.082 109.913 108.800 0.050 0.000 2.716 364 G HA2 -0.148 3.812 3.960 0.000 0.000 0.686 364 G HA3 -0.148 3.812 3.960 0.000 0.000 0.686 364 G C 0.410 175.377 174.900 0.111 0.000 1.337 364 G CA 0.180 45.324 45.100 0.073 0.000 0.829 364 G HN 1.268 nan 8.290 nan 0.000 0.599 365 S N -0.340 115.415 115.700 0.091 0.000 2.447 365 S HA -0.047 4.424 4.470 0.000 0.000 0.233 365 S C 1.722 176.432 174.600 0.182 0.000 1.006 365 S CA 1.672 59.948 58.200 0.126 0.000 0.957 365 S CB 0.080 63.325 63.200 0.075 0.000 0.773 365 S HN 0.928 nan 8.310 nan 0.000 0.507 366 E N 1.221 121.514 120.200 0.155 0.000 2.028 366 E HA -0.231 4.119 4.350 0.000 0.000 0.191 366 E C 2.017 178.731 176.600 0.191 0.000 0.988 366 E CA 1.056 57.543 56.400 0.145 0.000 0.799 366 E CB -0.386 29.379 29.700 0.109 0.000 0.755 366 E HN 0.822 nan 8.360 nan 0.000 0.447 367 H N -1.366 117.764 119.070 0.101 0.000 2.289 367 H HA -0.241 4.315 4.556 0.000 0.000 0.296 367 H C 2.112 177.498 175.328 0.097 0.000 1.091 367 H CA 1.905 58.008 56.048 0.091 0.000 1.274 367 H CB -0.163 29.652 29.762 0.089 0.000 1.364 367 H HN 0.274 nan 8.280 nan 0.000 0.490 368 Y N 1.616 122.022 120.300 0.177 0.000 2.081 368 Y HA -0.289 4.261 4.550 0.000 0.000 0.280 368 Y C 2.152 178.099 175.900 0.077 0.000 1.163 368 Y CA 2.167 60.312 58.100 0.075 0.000 1.135 368 Y CB -0.464 38.011 38.460 0.025 0.000 0.970 368 Y HN 0.345 nan 8.280 nan 0.000 0.498 369 D N -0.779 119.714 120.400 0.156 0.000 2.144 369 D HA -0.167 4.473 4.640 0.000 0.000 0.199 369 D C 2.369 178.662 176.300 -0.011 0.000 0.984 369 D CA 1.592 55.629 54.000 0.062 0.000 0.834 369 D CB -0.400 40.474 40.800 0.124 0.000 0.955 369 D HN 0.316 nan 8.370 nan 0.000 0.465 370 V N 1.164 121.096 119.914 0.030 0.000 2.379 370 V HA -0.179 3.941 4.120 0.000 0.000 0.245 370 V C 2.499 178.571 176.094 -0.036 0.000 1.044 370 V CA 1.587 63.903 62.300 0.027 0.000 1.036 370 V CB -0.789 31.075 31.823 0.069 0.000 0.664 370 V HN 0.168 nan 8.190 nan 0.000 0.453 371 A N 0.263 123.047 122.820 -0.060 0.000 1.865 371 A HA -0.223 4.097 4.320 0.000 0.000 0.217 371 A C 2.317 179.793 177.584 -0.180 0.000 1.191 371 A CA 1.744 53.710 52.037 -0.119 0.000 0.623 371 A CB -0.507 18.441 19.000 -0.087 0.000 0.826 371 A HN 0.383 nan 8.150 nan 0.000 0.444 372 R N -0.393 119.936 120.500 -0.285 0.000 2.120 372 R HA -0.081 4.259 4.340 0.000 0.000 0.234 372 R C 2.267 178.490 176.300 -0.128 0.000 1.123 372 R CA 1.174 57.117 56.100 -0.261 0.000 0.975 372 R CB -1.658 28.408 30.300 -0.389 0.000 0.866 372 R HN 0.558 nan 8.270 nan 0.000 0.446 373 G N -0.006 108.742 108.800 -0.088 0.000 2.394 373 G HA2 -0.161 3.799 3.960 0.000 0.000 0.215 373 G HA3 -0.161 3.799 3.960 0.000 0.000 0.215 373 G C 1.571 176.458 174.900 -0.021 0.000 1.165 373 G CA 0.562 45.642 45.100 -0.033 0.000 0.784 373 G HN 0.161 nan 8.290 nan 0.000 0.535 374 V N 0.612 120.506 119.914 -0.034 0.000 2.287 374 V HA -0.274 3.846 4.120 0.000 0.000 0.248 374 V C 2.942 179.013 176.094 -0.038 0.000 1.053 374 V CA 2.361 64.641 62.300 -0.033 0.000 1.027 374 V CB -0.583 31.164 31.823 -0.125 0.000 0.646 374 V HN 0.429 nan 8.190 nan 0.000 0.447 375 Q N -0.495 119.266 119.800 -0.064 0.000 2.084 375 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 375 Q C 2.398 178.383 176.000 -0.025 0.000 0.978 375 Q CA 1.788 57.562 55.803 -0.050 0.000 0.844 375 Q CB -0.239 28.456 28.738 -0.071 0.000 0.898 375 Q HN 0.563 nan 8.270 nan 0.000 0.426 376 K N 0.933 121.317 120.400 -0.027 0.000 2.032 376 K HA -0.176 4.144 4.320 0.000 0.000 0.209 376 K C 2.004 178.611 176.600 0.012 0.000 1.048 376 K CA 1.204 57.486 56.287 -0.010 0.000 0.927 376 K CB -0.186 32.307 32.500 -0.012 0.000 0.712 376 K HN 0.204 nan 8.250 nan 0.000 0.441 377 I N 0.954 121.534 120.570 0.017 0.000 2.286 377 I HA -0.266 3.904 4.170 0.000 0.000 0.248 377 I C 1.866 178.026 176.117 0.072 0.000 1.115 377 I CA 0.992 62.313 61.300 0.035 0.000 1.392 377 I CB 0.104 38.117 38.000 0.021 0.000 1.065 377 I HN 0.245 nan 8.210 nan 0.000 0.418 378 L N -0.005 121.256 121.223 0.064 0.000 2.093 378 L HA -0.217 4.123 4.340 0.000 0.000 0.208 378 L C 2.536 179.459 176.870 0.089 0.000 1.085 378 L CA 1.052 55.954 54.840 0.103 0.000 0.755 378 L CB -0.543 41.553 42.059 0.063 0.000 0.904 378 L HN 0.284 nan 8.230 nan 0.000 0.435 379 Q N 0.131 119.954 119.800 0.039 0.000 2.172 379 Q HA -0.184 4.157 4.340 0.000 0.000 0.200 379 Q C 1.646 177.656 176.000 0.016 0.000 0.964 379 Q CA 1.530 57.340 55.803 0.012 0.000 0.855 379 Q CB -0.001 28.734 28.738 -0.005 0.000 0.918 379 Q HN 0.378 nan 8.270 nan 0.000 0.444 380 D N -1.102 119.323 120.400 0.042 0.000 2.149 380 D HA -0.140 4.500 4.640 0.000 0.000 0.201 380 D C 1.444 177.794 176.300 0.084 0.000 0.972 380 D CA 0.872 54.901 54.000 0.047 0.000 0.835 380 D CB -0.350 40.479 40.800 0.048 0.000 0.966 380 D HN 0.321 nan 8.370 nan 0.000 0.476 381 Y N 1.974 122.266 120.300 -0.014 0.000 2.200 381 Y HA -0.134 4.416 4.550 0.000 0.000 0.290 381 Y C 2.156 178.047 175.900 -0.015 0.000 1.137 381 Y CA 1.394 59.486 58.100 -0.014 0.000 1.163 381 Y CB -0.137 38.315 38.460 -0.014 0.000 0.988 381 Y HN -0.202 nan 8.280 nan 0.000 0.518 382 K N -0.519 119.778 120.400 -0.172 0.000 2.063 382 K HA -0.147 4.173 4.320 0.000 0.000 0.208 382 K C 2.070 178.554 176.600 -0.194 0.000 1.048 382 K CA 1.668 57.809 56.287 -0.244 0.000 0.928 382 K CB -0.287 32.148 32.500 -0.107 0.000 0.713 382 K HN 0.229 nan 8.250 nan 0.000 0.442 383 S N 0.459 116.095 115.700 -0.107 0.000 2.603 383 S HA 0.059 4.529 4.470 0.000 0.000 0.229 383 S C 1.347 175.903 174.600 -0.074 0.000 0.972 383 S CA 0.461 58.616 58.200 -0.075 0.000 0.935 383 S CB 0.075 63.252 63.200 -0.038 0.000 0.769 383 S HN 0.249 nan 8.310 nan 0.000 0.536 384 L N -0.163 120.998 121.223 -0.103 0.000 2.642 384 L HA 0.160 4.500 4.340 0.000 0.000 0.233 384 L C 2.263 179.054 176.870 -0.132 0.000 1.077 384 L CA 0.123 54.919 54.840 -0.074 0.000 0.879 384 L CB -0.316 41.747 42.059 0.007 0.000 1.151 384 L HN 0.175 nan 8.230 nan 0.000 0.495 385 Q N 0.960 120.587 119.800 -0.288 0.000 1.906 385 Q HA -0.274 4.066 4.340 0.000 0.000 0.221 385 Q C 1.337 177.245 176.000 -0.152 0.000 1.021 385 Q CA 2.271 57.879 55.803 -0.325 0.000 0.880 385 Q CB -0.154 28.322 28.738 -0.437 0.000 0.966 385 Q HN 0.449 nan 8.270 nan 0.000 0.418 386 D N -0.165 120.158 120.400 -0.128 0.000 2.351 386 D HA -0.083 4.557 4.640 0.000 0.000 0.216 386 D C 1.733 178.000 176.300 -0.055 0.000 0.968 386 D CA 0.778 54.731 54.000 -0.079 0.000 0.899 386 D CB -0.036 40.722 40.800 -0.071 0.000 0.907 386 D HN 0.323 nan 8.370 nan 0.000 0.514 387 I N 0.949 121.486 120.570 -0.056 0.000 2.260 387 I HA -0.151 4.019 4.170 0.000 0.000 0.237 387 I C 2.508 178.612 176.117 -0.022 0.000 1.075 387 I CA 0.602 61.882 61.300 -0.034 0.000 1.376 387 I CB -0.178 37.803 38.000 -0.031 0.000 1.107 387 I HN -0.068 nan 8.210 nan 0.000 0.420 388 I N -0.496 120.064 120.570 -0.017 0.000 2.830 388 I HA -0.016 4.154 4.170 0.000 0.000 0.263 388 I C 2.394 178.512 176.117 0.002 0.000 1.230 388 I CA 1.120 62.420 61.300 0.001 0.000 1.480 388 I CB -0.476 37.537 38.000 0.022 0.000 1.095 388 I HN 0.037 nan 8.210 nan 0.000 0.455 389 A N 1.160 123.973 122.820 -0.010 0.000 2.125 389 A HA 0.026 4.346 4.320 0.000 0.000 0.219 389 A C 2.228 179.809 177.584 -0.006 0.000 1.156 389 A CA 1.640 53.673 52.037 -0.008 0.000 0.671 389 A CB -0.599 18.388 19.000 -0.023 0.000 0.794 389 A HN 0.636 nan 8.150 nan 0.000 0.459 390 I N -2.271 118.294 120.570 -0.008 0.000 4.471 390 I HA 0.149 4.319 4.170 0.000 0.000 0.326 390 I C 1.140 177.255 176.117 -0.003 0.000 1.300 390 I CA 0.231 61.527 61.300 -0.006 0.000 1.237 390 I CB 0.568 38.562 38.000 -0.010 0.000 1.195 390 I HN 0.155 nan 8.210 nan 0.000 0.427 391 L N 0.694 121.915 121.223 -0.003 0.000 2.640 391 L HA 0.445 4.785 4.340 0.000 0.000 0.230 391 L C 0.555 177.427 176.870 0.003 0.000 1.123 391 L CA 0.078 54.917 54.840 -0.001 0.000 0.900 391 L CB 0.111 42.169 42.059 -0.002 0.000 1.146 391 L HN 0.245 nan 8.230 nan 0.000 0.484 392 G N 0.220 109.024 108.800 0.006 0.000 2.907 392 G HA2 -0.231 3.729 3.960 0.000 0.000 0.686 392 G HA3 -0.231 3.729 3.960 0.000 0.000 0.686 392 G C -0.132 174.776 174.900 0.014 0.000 1.115 392 G CA -0.129 44.977 45.100 0.009 0.000 0.760 392 G HN -0.015 nan 8.290 nan 0.000 0.620 393 M N 0.835 120.446 119.600 0.018 0.000 2.200 393 M HA 0.089 4.569 4.480 0.000 0.000 0.265 393 M C 1.834 178.145 176.300 0.019 0.000 1.066 393 M CA 2.534 57.849 55.300 0.023 0.000 1.127 393 M CB -0.159 32.456 32.600 0.025 0.000 1.379 393 M HN 0.571 nan 8.290 nan 0.000 0.420 394 D N 0.159 120.567 120.400 0.014 0.000 2.312 394 D HA -0.097 4.543 4.640 0.000 0.000 0.211 394 D C 0.806 177.112 176.300 0.010 0.000 0.964 394 D CA 0.699 54.706 54.000 0.011 0.000 0.877 394 D CB -0.121 40.684 40.800 0.009 0.000 0.924 394 D HN 0.482 nan 8.370 nan 0.000 0.515 395 E N 0.568 120.774 120.200 0.011 0.000 2.365 395 E HA 0.098 4.448 4.350 0.000 0.000 0.188 395 E C 0.477 177.083 176.600 0.011 0.000 1.102 395 E CA 0.023 56.428 56.400 0.009 0.000 0.927 395 E CB 0.269 29.973 29.700 0.007 0.000 1.073 395 E HN 0.359 nan 8.360 nan 0.000 0.467 396 L N 0.256 121.487 121.223 0.013 0.000 2.334 396 L HA 0.229 4.569 4.340 0.000 0.000 0.272 396 L C 0.704 177.582 176.870 0.013 0.000 1.020 396 L CA -0.689 54.160 54.840 0.015 0.000 0.812 396 L CB 1.724 43.796 42.059 0.022 0.000 1.264 396 L HN -0.090 nan 8.230 nan 0.000 0.439 397 S N 0.535 116.242 115.700 0.013 0.000 2.563 397 S HA -0.022 4.448 4.470 0.000 0.000 0.284 397 S C 1.013 175.619 174.600 0.010 0.000 1.331 397 S CA -0.323 57.883 58.200 0.010 0.000 1.047 397 S CB 0.555 63.761 63.200 0.010 0.000 0.859 397 S HN 0.603 nan 8.310 nan 0.000 0.514 398 E N 2.712 122.916 120.200 0.008 0.000 2.472 398 E HA -0.056 4.294 4.350 0.000 0.000 0.200 398 E C 0.997 177.601 176.600 0.006 0.000 1.046 398 E CA 0.832 57.236 56.400 0.007 0.000 0.871 398 E CB 0.097 29.801 29.700 0.006 0.000 0.806 398 E HN 0.744 nan 8.360 nan 0.000 0.533 399 E N -0.417 119.787 120.200 0.007 0.000 2.490 399 E HA -0.004 4.346 4.350 0.000 0.000 0.209 399 E C 0.997 177.602 176.600 0.008 0.000 0.971 399 E CA -0.162 56.242 56.400 0.006 0.000 0.988 399 E CB 0.443 30.147 29.700 0.006 0.000 1.029 399 E HN 0.045 nan 8.360 nan 0.000 0.496 400 D N 2.071 122.479 120.400 0.013 0.000 2.103 400 D HA -0.136 4.504 4.640 0.000 0.000 0.199 400 D C 1.732 178.045 176.300 0.022 0.000 0.978 400 D CA 1.169 55.182 54.000 0.022 0.000 0.829 400 D CB 0.061 40.876 40.800 0.026 0.000 0.981 400 D HN 0.202 nan 8.370 nan 0.000 0.464 401 K N 0.247 120.656 120.400 0.015 0.000 2.504 401 K HA -0.047 4.273 4.320 0.000 0.000 0.195 401 K C 1.858 178.451 176.600 -0.012 0.000 1.036 401 K CA 0.426 56.718 56.287 0.008 0.000 0.984 401 K CB 0.040 32.546 32.500 0.009 0.000 0.788 401 K HN 0.034 nan 8.250 nan 0.000 0.488 402 L N 2.222 123.439 121.223 -0.010 0.000 2.162 402 L HA -0.060 4.280 4.340 0.000 0.000 0.205 402 L C 2.442 179.291 176.870 -0.036 0.000 1.086 402 L CA 1.794 56.622 54.840 -0.021 0.000 0.778 402 L CB -0.395 41.657 42.059 -0.010 0.000 0.928 402 L HN 0.453 nan 8.230 nan 0.000 0.446 403 T N -4.492 110.049 114.554 -0.021 0.000 2.821 403 T HA -0.126 4.224 4.350 0.000 0.000 0.267 403 T C 1.877 176.535 174.700 -0.070 0.000 1.046 403 T CA 1.377 63.462 62.100 -0.026 0.000 1.139 403 T CB -0.920 67.955 68.868 0.012 0.000 0.871 403 T HN 0.071 nan 8.240 nan 0.000 0.454 404 V N 2.776 122.654 119.914 -0.060 0.000 2.343 404 V HA -0.171 3.949 4.120 0.000 0.000 0.247 404 V C 3.230 179.158 176.094 -0.278 0.000 1.051 404 V CA 2.138 64.345 62.300 -0.155 0.000 1.036 404 V CB -0.903 30.916 31.823 -0.007 0.000 0.654 404 V HN 0.814 nan 8.190 nan 0.000 0.451 405 S N 0.132 115.735 115.700 -0.162 0.000 2.371 405 S HA -0.166 4.304 4.470 0.000 0.000 0.224 405 S C 2.069 176.548 174.600 -0.202 0.000 1.029 405 S CA 1.002 59.106 58.200 -0.159 0.000 0.978 405 S CB -0.420 62.727 63.200 -0.089 0.000 0.833 405 S HN 0.539 nan 8.310 nan 0.000 0.466 406 R N 1.360 121.757 120.500 -0.172 0.000 2.092 406 R HA 0.157 4.497 4.340 0.000 0.000 0.231 406 R C 2.739 178.920 176.300 -0.198 0.000 1.119 406 R CA 1.187 57.179 56.100 -0.180 0.000 0.970 406 R CB -0.681 29.556 30.300 -0.105 0.000 0.864 406 R HN 0.567 nan 8.270 nan 0.000 0.440 407 A N 1.154 123.849 122.820 -0.208 0.000 1.873 407 A HA -0.152 4.168 4.320 0.000 0.000 0.215 407 A C 2.051 179.482 177.584 -0.255 0.000 1.186 407 A CA 1.128 53.046 52.037 -0.199 0.000 0.616 407 A CB -0.350 18.519 19.000 -0.219 0.000 0.823 407 A HN 0.194 nan 8.150 nan 0.000 0.442 408 R N -0.228 120.026 120.500 -0.409 0.000 2.105 408 R HA -0.145 4.195 4.340 0.000 0.000 0.239 408 R C 2.171 178.360 176.300 -0.185 0.000 1.135 408 R CA 1.791 57.705 56.100 -0.310 0.000 0.967 408 R CB -0.255 29.848 30.300 -0.329 0.000 0.861 408 R HN 0.528 nan 8.270 nan 0.000 0.442 409 K N 0.268 120.502 120.400 -0.277 0.000 2.057 409 K HA -0.063 4.257 4.320 0.000 0.000 0.206 409 K C 2.050 178.473 176.600 -0.294 0.000 1.050 409 K CA 1.128 57.139 56.287 -0.460 0.000 0.935 409 K CB -0.082 31.838 32.500 -0.967 0.000 0.715 409 K HN 0.099 nan 8.250 nan 0.000 0.439 410 I N 1.471 121.951 120.570 -0.151 0.000 2.179 410 I HA -0.316 3.854 4.170 0.000 0.000 0.242 410 I C 2.503 178.760 176.117 0.233 0.000 1.088 410 I CA 1.312 62.697 61.300 0.142 0.000 1.357 410 I CB -0.183 37.931 38.000 0.190 0.000 1.051 410 I HN 0.234 nan 8.210 nan 0.000 0.409 411 Q N 0.213 120.074 119.800 0.102 0.000 2.133 411 Q HA -0.286 4.054 4.340 0.000 0.000 0.208 411 Q C 2.340 178.432 176.000 0.155 0.000 0.991 411 Q CA 1.856 57.725 55.803 0.110 0.000 0.867 411 Q CB -0.105 28.671 28.738 0.064 0.000 0.911 411 Q HN 0.468 nan 8.270 nan 0.000 0.417 412 R N -1.156 119.445 120.500 0.169 0.000 2.127 412 R HA -0.038 4.302 4.340 0.000 0.000 0.217 412 R C 1.756 178.239 176.300 0.305 0.000 1.074 412 R CA 0.592 56.852 56.100 0.267 0.000 0.991 412 R CB -0.053 30.427 30.300 0.299 0.000 0.895 412 R HN 0.148 nan 8.270 nan 0.000 0.450 413 F N 0.854 120.875 119.950 0.119 0.000 2.661 413 F HA 0.080 4.607 4.527 0.000 0.000 0.298 413 F C 1.332 177.265 175.800 0.222 0.000 1.137 413 F CA 0.689 58.721 58.000 0.053 0.000 1.454 413 F CB 0.151 39.010 39.000 -0.235 0.000 1.103 413 F HN -0.079 nan 8.300 nan 0.000 0.577 414 L N -0.524 120.885 121.223 0.310 0.000 2.313 414 L HA -0.028 4.312 4.340 0.000 0.000 0.214 414 L C 1.472 178.370 176.870 0.045 0.000 1.119 414 L CA 0.389 55.362 54.840 0.222 0.000 0.809 414 L CB -0.763 41.392 42.059 0.161 0.000 0.933 414 L HN 0.098 nan 8.230 nan 0.000 0.449 415 S N -0.274 115.438 115.700 0.019 0.000 2.593 415 S HA 0.323 4.793 4.470 0.000 0.000 0.269 415 S C -0.331 174.184 174.600 -0.141 0.000 1.334 415 S CA -0.499 57.660 58.200 -0.068 0.000 1.015 415 S CB 1.814 64.967 63.200 -0.078 0.000 0.912 415 S HN 0.274 nan 8.310 nan 0.000 0.541 416 Q N 0.722 120.417 119.800 -0.175 0.000 2.327 416 Q HA 0.379 4.719 4.340 0.000 0.000 0.265 416 Q C -3.090 172.825 176.000 -0.141 0.000 0.993 416 Q CA -1.969 53.761 55.803 -0.122 0.000 0.885 416 Q CB 2.306 31.061 28.738 0.028 0.000 1.379 416 Q HN 0.542 nan 8.270 nan 0.000 0.408 417 P HA 0.109 nan 4.420 nan 0.000 0.276 417 P C -0.989 176.450 177.300 0.232 0.000 1.253 417 P CA 0.408 63.504 63.100 -0.007 0.000 0.766 417 P CB 0.137 31.840 31.700 0.005 0.000 0.845 418 F N 1.618 121.570 119.950 0.004 0.000 2.385 418 F HA 0.148 4.675 4.527 0.000 0.000 0.336 418 F C 2.317 178.128 175.800 0.019 0.000 1.100 418 F CA -0.755 57.256 58.000 0.019 0.000 1.116 418 F CB 1.802 40.826 39.000 0.040 0.000 1.166 418 F HN 0.360 nan 8.300 nan 0.000 0.511 419 Q N 2.034 121.918 119.800 0.139 0.000 2.030 419 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 419 Q C 1.798 177.837 176.000 0.065 0.000 0.986 419 Q CA 2.647 58.487 55.803 0.061 0.000 0.843 419 Q CB -0.274 28.463 28.738 -0.002 0.000 0.904 419 Q HN 0.677 nan 8.270 nan 0.000 0.420 420 V N -1.868 118.093 119.914 0.079 0.000 2.913 420 V HA 0.090 4.210 4.120 0.000 0.000 0.260 420 V C 1.652 177.824 176.094 0.130 0.000 1.098 420 V CA 1.479 63.829 62.300 0.082 0.000 1.121 420 V CB -0.850 31.023 31.823 0.083 0.000 0.714 420 V HN 0.403 nan 8.190 nan 0.000 0.487 421 A N -0.493 122.454 122.820 0.213 0.000 2.460 421 A HA 0.322 4.642 4.320 0.000 0.000 0.258 421 A C 1.739 179.368 177.584 0.075 0.000 1.300 421 A CA 0.230 52.420 52.037 0.256 0.000 0.913 421 A CB -0.407 18.782 19.000 0.315 0.000 1.031 421 A HN 0.578 nan 8.150 nan 0.000 0.512 422 E N -0.010 120.187 120.200 -0.005 0.000 2.153 422 E HA -0.165 4.185 4.350 0.000 0.000 0.194 422 E C 1.783 178.314 176.600 -0.114 0.000 0.988 422 E CA 1.602 57.987 56.400 -0.025 0.000 0.811 422 E CB -0.248 29.439 29.700 -0.021 0.000 0.746 422 E HN 0.638 nan 8.360 nan 0.000 0.466 423 V N -1.840 117.887 119.914 -0.312 0.000 3.305 423 V HA -0.098 4.022 4.120 0.000 0.000 0.269 423 V C 1.463 177.290 176.094 -0.446 0.000 1.157 423 V CA 1.239 63.280 62.300 -0.430 0.000 1.157 423 V CB -0.767 30.704 31.823 -0.587 0.000 0.772 423 V HN 0.149 nan 8.190 nan 0.000 0.498 424 F N 1.346 121.285 119.950 -0.019 0.000 2.602 424 F HA 0.106 4.633 4.527 0.000 0.000 0.284 424 F C 2.588 178.374 175.800 -0.023 0.000 1.111 424 F CA 0.747 58.719 58.000 -0.047 0.000 1.405 424 F CB -0.112 38.810 39.000 -0.129 0.000 1.121 424 F HN 0.214 nan 8.300 nan 0.000 0.603 425 T N -3.341 111.310 114.554 0.162 0.000 3.031 425 T HA 0.332 4.682 4.350 0.000 0.000 0.254 425 T C 1.996 176.858 174.700 0.270 0.000 1.060 425 T CA 0.823 63.019 62.100 0.160 0.000 1.135 425 T CB 0.092 69.002 68.868 0.072 0.000 0.896 425 T HN 0.398 nan 8.240 nan 0.000 0.472 426 G N 1.247 110.144 108.800 0.161 0.000 2.212 426 G HA2 -0.251 3.709 3.960 0.000 0.000 0.266 426 G HA3 -0.251 3.709 3.960 0.000 0.000 0.266 426 G C -0.071 174.869 174.900 0.067 0.000 0.978 426 G CA 0.481 45.641 45.100 0.100 0.000 0.632 426 G HN 0.786 nan 8.290 nan 0.000 0.537 427 H N -0.709 118.364 119.070 0.005 0.000 2.481 427 H HA 0.656 5.212 4.556 0.000 0.000 0.339 427 H C 0.539 175.868 175.328 0.002 0.000 1.131 427 H CA -0.717 55.332 56.048 0.000 0.000 1.301 427 H CB 1.307 31.064 29.762 -0.009 0.000 1.476 427 H HN 0.246 nan 8.280 nan 0.000 0.529 428 L N 1.461 122.743 121.223 0.099 0.000 2.456 428 L HA 0.238 4.578 4.340 0.000 0.000 0.272 428 L C 1.006 177.929 176.870 0.088 0.000 1.189 428 L CA 0.368 55.248 54.840 0.065 0.000 0.846 428 L CB 0.468 42.546 42.059 0.032 0.000 1.111 428 L HN 0.845 nan 8.230 nan 0.000 0.475 429 G N 3.445 112.288 108.800 0.072 0.000 2.442 429 G HA2 0.284 4.245 3.960 0.000 0.000 0.249 429 G HA3 0.284 4.245 3.960 0.000 0.000 0.249 429 G C -0.643 174.297 174.900 0.067 0.000 1.263 429 G CA -0.499 44.654 45.100 0.088 0.000 0.846 429 G HN 0.426 nan 8.290 nan 0.000 0.555 430 K N 1.136 121.584 120.400 0.081 0.000 2.324 430 K HA 0.442 4.762 4.320 0.000 0.000 0.253 430 K C -1.135 175.491 176.600 0.044 0.000 0.932 430 K CA -0.729 55.590 56.287 0.053 0.000 0.799 430 K CB 2.734 35.261 32.500 0.044 0.000 1.154 430 K HN 0.390 nan 8.250 nan 0.000 0.425 431 L N 2.528 123.762 121.223 0.019 0.000 2.349 431 L HA 0.424 4.764 4.340 0.000 0.000 0.278 431 L C -1.178 175.698 176.870 0.010 0.000 0.996 431 L CA -0.881 53.962 54.840 0.004 0.000 0.825 431 L CB 1.564 43.618 42.059 -0.009 0.000 1.243 431 L HN 0.226 nan 8.230 nan 0.000 0.412 432 V N 6.141 126.059 119.914 0.008 0.000 2.357 432 V HA 0.433 4.553 4.120 0.000 0.000 0.284 432 V C -2.064 174.040 176.094 0.017 0.000 1.018 432 V CA -1.738 60.571 62.300 0.015 0.000 0.841 432 V CB 1.238 33.063 31.823 0.004 0.000 0.991 432 V HN 0.665 nan 8.190 nan 0.000 0.437 433 P HA 0.083 nan 4.420 nan 0.000 0.270 433 P C 0.787 178.102 177.300 0.025 0.000 1.223 433 P CA -0.325 62.789 63.100 0.023 0.000 0.785 433 P CB 0.758 32.474 31.700 0.027 0.000 0.923 434 L N 2.998 124.232 121.223 0.019 0.000 1.971 434 L HA -0.224 4.116 4.340 0.000 0.000 0.215 434 L C 1.912 178.777 176.870 -0.007 0.000 1.072 434 L CA 2.091 56.932 54.840 0.001 0.000 0.758 434 L CB -0.986 41.081 42.059 0.013 0.000 0.889 434 L HN 0.218 nan 8.230 nan 0.000 0.433 435 K N -0.415 119.993 120.400 0.013 0.000 2.113 435 K HA -0.247 4.073 4.320 0.000 0.000 0.208 435 K C 2.127 178.755 176.600 0.047 0.000 1.047 435 K CA 1.676 57.976 56.287 0.022 0.000 0.928 435 K CB -0.320 32.200 32.500 0.032 0.000 0.716 435 K HN 0.392 nan 8.250 nan 0.000 0.446 436 E N 0.511 120.746 120.200 0.058 0.000 2.110 436 E HA -0.099 4.251 4.350 0.000 0.000 0.193 436 E C 1.793 178.476 176.600 0.138 0.000 0.988 436 E CA 1.545 57.997 56.400 0.087 0.000 0.804 436 E CB -0.165 29.580 29.700 0.075 0.000 0.745 436 E HN 0.193 nan 8.360 nan 0.000 0.458 437 T N 0.529 115.161 114.554 0.129 0.000 2.737 437 T HA -0.084 4.266 4.350 0.000 0.000 0.265 437 T C 1.905 176.789 174.700 0.306 0.000 1.038 437 T CA 1.378 63.614 62.100 0.227 0.000 1.144 437 T CB -0.269 68.683 68.868 0.140 0.000 0.866 437 T HN 0.135 nan 8.240 nan 0.000 0.434 438 I N 0.888 121.529 120.570 0.118 0.000 2.091 438 I HA -0.249 3.921 4.170 0.000 0.000 0.239 438 I C 2.665 178.877 176.117 0.159 0.000 1.061 438 I CA 1.538 62.887 61.300 0.082 0.000 1.317 438 I CB -0.395 37.580 38.000 -0.041 0.000 1.031 438 I HN 0.203 nan 8.210 nan 0.000 0.401 439 K N 0.994 121.470 120.400 0.126 0.000 2.001 439 K HA -0.222 4.098 4.320 0.000 0.000 0.214 439 K C 2.138 178.822 176.600 0.140 0.000 1.050 439 K CA 2.069 58.427 56.287 0.118 0.000 0.934 439 K CB -0.646 31.911 32.500 0.095 0.000 0.718 439 K HN 0.421 nan 8.250 nan 0.000 0.443 440 G N 0.439 109.330 108.800 0.153 0.000 2.529 440 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 440 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 440 G C 1.375 176.255 174.900 -0.033 0.000 1.177 440 G CA 1.257 46.378 45.100 0.035 0.000 0.773 440 G HN 0.325 nan 8.290 nan 0.000 0.573 441 F N 0.517 120.594 119.950 0.211 0.000 2.146 441 F HA -0.016 4.511 4.527 0.000 0.000 0.298 441 F C 2.959 178.808 175.800 0.082 0.000 1.096 441 F CA 1.567 59.659 58.000 0.154 0.000 1.275 441 F CB -0.342 38.751 39.000 0.155 0.000 1.008 441 F HN 0.157 nan 8.300 nan 0.000 0.480 442 Q N 0.295 120.241 119.800 0.244 0.000 2.112 442 Q HA -0.294 4.046 4.340 0.000 0.000 0.206 442 Q C 2.136 178.199 176.000 0.104 0.000 0.987 442 Q CA 2.001 57.891 55.803 0.145 0.000 0.858 442 Q CB -0.126 28.681 28.738 0.116 0.000 0.905 442 Q HN 0.525 nan 8.270 nan 0.000 0.420 443 Q N -0.223 119.642 119.800 0.108 0.000 2.046 443 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 443 Q C 2.119 178.172 176.000 0.089 0.000 0.975 443 Q CA 1.399 57.256 55.803 0.090 0.000 0.836 443 Q CB -0.034 28.814 28.738 0.183 0.000 0.896 443 Q HN 0.470 nan 8.270 nan 0.000 0.428 444 I N 0.574 121.214 120.570 0.116 0.000 2.361 444 I HA -0.268 3.902 4.170 0.000 0.000 0.251 444 I C 2.086 178.215 176.117 0.020 0.000 1.133 444 I CA 0.908 62.244 61.300 0.060 0.000 1.413 444 I CB -0.197 37.743 38.000 -0.100 0.000 1.073 444 I HN 0.199 nan 8.210 nan 0.000 0.424 445 L N 0.578 121.831 121.223 0.051 0.000 2.093 445 L HA -0.153 4.187 4.340 0.000 0.000 0.208 445 L C 2.695 179.576 176.870 0.018 0.000 1.085 445 L CA 1.221 56.084 54.840 0.039 0.000 0.755 445 L CB -0.527 41.570 42.059 0.063 0.000 0.904 445 L HN 0.238 nan 8.230 nan 0.000 0.435 446 A N -0.717 122.112 122.820 0.015 0.000 2.168 446 A HA 0.152 4.472 4.320 0.000 0.000 0.215 446 A C 1.750 179.322 177.584 -0.021 0.000 1.152 446 A CA 0.994 53.030 52.037 -0.003 0.000 0.716 446 A CB -0.462 18.533 19.000 -0.007 0.000 0.794 446 A HN 0.568 nan 8.150 nan 0.000 0.465 447 G N -1.018 107.767 108.800 -0.024 0.000 2.159 447 G HA2 -0.243 3.717 3.960 0.000 0.000 0.227 447 G HA3 -0.243 3.717 3.960 0.000 0.000 0.227 447 G C 0.473 175.339 174.900 -0.056 0.000 0.986 447 G CA 0.502 45.585 45.100 -0.027 0.000 0.651 447 G HN 0.545 nan 8.290 nan 0.000 0.523 448 E N -0.985 119.129 120.200 -0.144 0.000 2.401 448 E HA -0.014 4.336 4.350 0.000 0.000 0.199 448 E C 0.815 177.102 176.600 -0.521 0.000 1.023 448 E CA 0.890 57.077 56.400 -0.355 0.000 0.859 448 E CB -0.082 29.295 29.700 -0.538 0.000 0.780 448 E HN 0.794 nan 8.360 nan 0.000 0.523 449 Y N -0.787 119.518 120.300 0.009 0.000 2.719 449 Y HA 0.114 4.664 4.550 0.000 0.000 0.251 449 Y C 0.791 176.603 175.900 -0.147 0.000 1.159 449 Y CA -0.652 57.374 58.100 -0.122 0.000 1.166 449 Y CB 0.713 39.216 38.460 0.072 0.000 1.219 449 Y HN -0.090 nan 8.280 nan 0.000 0.551 450 D N 0.188 120.618 120.400 0.050 0.000 2.221 450 D HA -0.201 4.439 4.640 0.000 0.000 0.204 450 D C 2.029 178.370 176.300 0.069 0.000 0.982 450 D CA 1.593 55.623 54.000 0.050 0.000 0.857 450 D CB -0.125 40.709 40.800 0.055 0.000 0.934 450 D HN 0.631 nan 8.370 nan 0.000 0.475 451 H N -0.093 119.033 119.070 0.093 0.000 2.428 451 H HA 0.042 4.598 4.556 0.000 0.000 0.296 451 H C 1.057 176.446 175.328 0.102 0.000 1.062 451 H CA 0.144 56.238 56.048 0.077 0.000 1.350 451 H CB -0.541 29.251 29.762 0.051 0.000 1.403 451 H HN 0.107 nan 8.280 nan 0.000 0.533 452 L N 3.496 124.558 121.223 -0.268 0.000 2.439 452 L HA 0.201 4.541 4.340 0.000 0.000 0.269 452 L C -1.914 175.014 176.870 0.096 0.000 1.179 452 L CA -1.838 52.947 54.840 -0.093 0.000 0.828 452 L CB 0.592 42.520 42.059 -0.218 0.000 1.106 452 L HN 0.140 nan 8.230 nan 0.000 0.467 453 P HA 0.145 nan 4.420 nan 0.000 0.279 453 P C 0.110 177.542 177.300 0.221 0.000 1.252 453 P CA -0.500 62.664 63.100 0.107 0.000 0.811 453 P CB 1.078 32.809 31.700 0.052 0.000 1.035 454 E N 0.271 120.578 120.200 0.178 0.000 2.048 454 E HA -0.262 4.089 4.350 0.000 0.000 0.202 454 E C 1.836 178.606 176.600 0.283 0.000 1.021 454 E CA 1.518 58.044 56.400 0.210 0.000 0.825 454 E CB -0.167 29.574 29.700 0.068 0.000 0.756 454 E HN 0.451 nan 8.360 nan 0.000 0.454 455 Q N -0.592 119.300 119.800 0.153 0.000 2.364 455 Q HA -0.104 4.236 4.340 0.000 0.000 0.209 455 Q C 1.879 177.968 176.000 0.149 0.000 0.977 455 Q CA 1.019 56.910 55.803 0.147 0.000 0.885 455 Q CB -0.116 28.671 28.738 0.080 0.000 0.941 455 Q HN 0.287 nan 8.270 nan 0.000 0.464 456 A N -0.576 122.269 122.820 0.042 0.000 1.968 456 A HA -0.089 4.231 4.320 0.000 0.000 0.217 456 A C 1.556 179.002 177.584 -0.230 0.000 1.169 456 A CA 0.746 52.685 52.037 -0.164 0.000 0.638 456 A CB -0.517 18.251 19.000 -0.387 0.000 0.812 456 A HN 0.291 nan 8.150 nan 0.000 0.446 457 F N -2.275 117.684 119.950 0.015 0.000 2.615 457 F HA 0.135 4.662 4.527 0.000 0.000 0.297 457 F C 0.863 176.769 175.800 0.176 0.000 1.124 457 F CA -0.077 57.959 58.000 0.059 0.000 1.451 457 F CB -0.339 38.663 39.000 0.002 0.000 1.103 457 F HN 0.284 nan 8.300 nan 0.000 0.569 458 Y N 1.368 121.781 120.300 0.188 0.000 2.402 458 Y HA 0.295 4.845 4.550 0.000 0.000 0.333 458 Y C 0.721 176.656 175.900 0.059 0.000 1.076 458 Y CA -1.618 56.550 58.100 0.114 0.000 1.299 458 Y CB 0.345 38.853 38.460 0.081 0.000 1.197 458 Y HN 0.138 nan 8.280 nan 0.000 0.517 459 M N 5.089 124.278 119.600 -0.685 0.000 2.350 459 M HA -0.148 4.332 4.480 0.000 0.000 0.190 459 M C -1.769 174.371 176.300 -0.267 0.000 0.710 459 M CA 1.219 56.111 55.300 -0.680 0.000 0.495 459 M CB -1.434 30.484 32.600 -1.137 0.000 1.136 459 M HN 0.517 nan 8.290 nan 0.000 0.901 460 V N -1.549 118.289 119.914 -0.126 0.000 3.160 460 V HA 1.085 5.205 4.120 0.000 0.000 0.310 460 V C 0.730 176.803 176.094 -0.036 0.000 1.181 460 V CA -0.321 61.968 62.300 -0.018 0.000 1.047 460 V CB 1.467 33.323 31.823 0.055 0.000 1.068 460 V HN 0.515 nan 8.190 nan 0.000 0.441 461 G N 0.501 109.304 108.800 0.005 0.000 3.056 461 G HA2 0.426 4.386 3.960 0.000 0.000 0.175 461 G HA3 0.426 4.386 3.960 0.000 0.000 0.175 461 G C -2.104 172.809 174.900 0.021 0.000 1.894 461 G CA -0.151 44.942 45.100 -0.012 0.000 0.910 461 G HN 0.796 nan 8.290 nan 0.000 0.462 462 P HA 0.119 nan 4.420 nan 0.000 0.273 462 P C 0.695 178.153 177.300 0.264 0.000 1.250 462 P CA -0.475 62.735 63.100 0.183 0.000 0.793 462 P CB 1.352 33.109 31.700 0.095 0.000 1.011 463 I N 0.834 121.534 120.570 0.217 0.000 2.361 463 I HA -0.241 3.929 4.170 0.000 0.000 0.251 463 I C 1.915 177.900 176.117 -0.221 0.000 1.133 463 I CA 1.725 62.908 61.300 -0.195 0.000 1.413 463 I CB -0.689 37.093 38.000 -0.364 0.000 1.073 463 I HN 0.263 nan 8.210 nan 0.000 0.424 464 E N 0.429 120.581 120.200 -0.079 0.000 2.160 464 E HA -0.250 4.100 4.350 0.000 0.000 0.195 464 E C 2.074 178.621 176.600 -0.089 0.000 0.991 464 E CA 1.375 57.733 56.400 -0.070 0.000 0.810 464 E CB -0.203 29.488 29.700 -0.015 0.000 0.742 464 E HN 0.574 nan 8.360 nan 0.000 0.466 465 E N -0.279 119.884 120.200 -0.061 0.000 2.152 465 E HA -0.079 4.271 4.350 0.000 0.000 0.192 465 E C 1.960 178.482 176.600 -0.131 0.000 0.983 465 E CA 0.670 57.036 56.400 -0.057 0.000 0.818 465 E CB -0.047 29.653 29.700 0.001 0.000 0.758 465 E HN 0.290 nan 8.360 nan 0.000 0.467 466 A N 0.670 123.347 122.820 -0.239 0.000 1.933 466 A HA -0.143 4.177 4.320 0.000 0.000 0.218 466 A C 2.403 179.687 177.584 -0.501 0.000 1.175 466 A CA 1.071 52.814 52.037 -0.490 0.000 0.628 466 A CB -0.474 17.986 19.000 -0.899 0.000 0.814 466 A HN 0.118 nan 8.150 nan 0.000 0.444 467 V N -0.276 119.404 119.914 -0.389 0.000 2.358 467 V HA -0.195 3.925 4.120 0.000 0.000 0.246 467 V C 3.046 179.057 176.094 -0.138 0.000 1.047 467 V CA 1.798 63.955 62.300 -0.238 0.000 1.035 467 V CB -1.218 30.532 31.823 -0.122 0.000 0.658 467 V HN 0.605 nan 8.190 nan 0.000 0.452 468 A N -0.222 122.531 122.820 -0.112 0.000 1.877 468 A HA -0.273 4.048 4.320 0.000 0.000 0.216 468 A C 2.353 179.897 177.584 -0.067 0.000 1.186 468 A CA 2.233 54.230 52.037 -0.067 0.000 0.620 468 A CB -0.515 18.456 19.000 -0.048 0.000 0.822 468 A HN 0.487 nan 8.150 nan 0.000 0.443 469 K N -0.429 119.917 120.400 -0.089 0.000 2.147 469 K HA -0.071 4.249 4.320 0.000 0.000 0.205 469 K C 2.126 178.680 176.600 -0.076 0.000 1.049 469 K CA 1.055 57.301 56.287 -0.069 0.000 0.936 469 K CB -0.286 32.175 32.500 -0.066 0.000 0.722 469 K HN 0.396 nan 8.250 nan 0.000 0.446 470 A N 1.531 124.276 122.820 -0.125 0.000 1.933 470 A HA -0.189 4.131 4.320 0.000 0.000 0.218 470 A C 1.600 179.157 177.584 -0.043 0.000 1.175 470 A CA 1.944 53.920 52.037 -0.101 0.000 0.628 470 A CB -0.444 18.467 19.000 -0.148 0.000 0.814 470 A HN 0.334 nan 8.150 nan 0.000 0.444 471 D N -0.485 119.892 120.400 -0.037 0.000 2.117 471 D HA -0.128 4.513 4.640 0.000 0.000 0.198 471 D C 1.881 178.173 176.300 -0.013 0.000 0.982 471 D CA 1.327 55.318 54.000 -0.015 0.000 0.828 471 D CB -0.240 40.552 40.800 -0.013 0.000 0.967 471 D HN 0.490 nan 8.370 nan 0.000 0.464 472 K N 0.443 120.832 120.400 -0.018 0.000 2.211 472 K HA -0.029 4.291 4.320 0.000 0.000 0.203 472 K C 2.079 178.677 176.600 -0.005 0.000 1.050 472 K CA 0.358 56.639 56.287 -0.011 0.000 0.945 472 K CB -0.032 32.460 32.500 -0.013 0.000 0.732 472 K HN 0.156 nan 8.250 nan 0.000 0.451 473 L N 0.127 121.347 121.223 -0.006 0.000 2.313 473 L HA -0.052 4.288 4.340 0.000 0.000 0.214 473 L C 2.392 179.265 176.870 0.005 0.000 1.119 473 L CA 0.601 55.443 54.840 0.003 0.000 0.809 473 L CB -0.251 41.810 42.059 0.003 0.000 0.933 473 L HN 0.185 nan 8.230 nan 0.000 0.449 474 A N -0.411 122.411 122.820 0.003 0.000 1.873 474 A HA -0.116 4.204 4.320 0.000 0.000 0.215 474 A C 1.065 178.653 177.584 0.006 0.000 1.186 474 A CA 1.500 53.542 52.037 0.007 0.000 0.616 474 A CB -0.016 18.989 19.000 0.009 0.000 0.823 474 A HN 0.397 nan 8.150 nan 0.000 0.442 475 E N 0.000 120.202 120.200 0.004 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.402 56.400 0.003 0.000 0.976 475 E CB 0.000 29.702 29.700 0.003 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440