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 1kyo_1_L DATA FIRST_RESID 27 DATA SEQUENCE AEVTQLSNGI VVATEHNPAH TASVGVVFGS GAANENPYNN GVSNLWKNIF DATA SEQUENCE LSKENSAVAA KEGLALSSNI SRDFQSYIVS SLPGSTDKSL DFLNQSFIQQ DATA SEQUENCE KANLLSSSNF EATKKSVLKQ VQDFEDNDHP NRVLEHLHST AFQNTPLSLP DATA SEQUENCE TRGTLESLEN LVVADLESFA NNHFLNSNAV VVGTGNIKHE DLVNSIESKN DATA SEQUENCE LSLQTGTKPV LKKKAAFLGS EVRLRDDTLP KAWISLAVEG EPVNSPNYFV DATA SEQUENCE AKLAAQIFGS YNAFEPASRL QGIKLLDNIQ EYQLCDNFNH FSLSYKDSGL DATA SEQUENCE WGFSTATRNV TMIDDLIHFT LKQWNRLTIS VTDTEVERAK SLLKLQLGQL DATA SEQUENCE YESGNPVNDA NLLGAEVLIK GSKLSLGEAF KKIDAITVKD VKAWAGKRLW DATA SEQUENCE DQDIAIAGTG QIEGLLDYMR IRSDMSMMRW 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.519 177.584 -0.108 0.000 1.274 27 A CA 0.000 51.980 52.037 -0.094 0.000 0.836 27 A CB 0.000 18.949 19.000 -0.085 0.000 0.831 28 E N -1.661 118.469 120.200 -0.116 0.000 2.823 28 E HA -0.191 4.160 4.350 0.001 0.000 0.274 28 E C 0.240 176.779 176.600 -0.101 0.000 1.344 28 E CA 1.525 57.845 56.400 -0.133 0.000 1.555 28 E CB -1.828 27.745 29.700 -0.211 0.000 1.959 28 E HN 1.866 nan 8.360 nan 0.000 0.567 29 V N -0.051 119.804 119.914 -0.098 0.000 3.699 29 V HA -0.158 3.962 4.120 0.001 0.000 0.464 29 V C 0.033 176.054 176.094 -0.121 0.000 0.681 29 V CA 1.395 63.638 62.300 -0.095 0.000 1.940 29 V CB -1.971 29.801 31.823 -0.085 0.000 2.368 29 V HN 0.789 nan 8.190 nan 0.000 0.496 30 T N 3.084 117.531 114.554 -0.179 0.000 2.876 30 T HA 0.789 5.139 4.350 0.001 0.000 0.289 30 T C -0.744 173.775 174.700 -0.303 0.000 1.014 30 T CA -0.718 61.201 62.100 -0.302 0.000 0.986 30 T CB 2.750 71.292 68.868 -0.544 0.000 1.021 30 T HN 0.820 nan 8.240 nan 0.000 0.458 31 Q N 2.144 121.829 119.800 -0.192 0.000 2.285 31 Q HA 0.673 5.013 4.340 0.001 0.000 0.269 31 Q C -2.003 173.999 176.000 0.003 0.000 1.030 31 Q CA -0.775 54.986 55.803 -0.070 0.000 0.788 31 Q CB 1.696 30.400 28.738 -0.057 0.000 1.266 31 Q HN 0.754 nan 8.270 nan 0.000 0.438 32 L N 2.003 123.279 121.223 0.089 0.000 2.409 32 L HA 0.564 4.904 4.340 0.001 0.000 0.262 32 L C -0.011 176.884 176.870 0.041 0.000 0.992 32 L CA -0.636 54.254 54.840 0.085 0.000 0.817 32 L CB 2.503 44.657 42.059 0.159 0.000 1.350 32 L HN 0.823 nan 8.230 nan 0.000 0.411 33 S N 1.275 116.986 115.700 0.018 0.000 2.607 33 S HA 0.559 5.029 4.470 0.001 0.000 0.272 33 S C -0.134 174.463 174.600 -0.005 0.000 1.166 33 S CA -0.265 57.936 58.200 0.001 0.000 1.021 33 S CB 2.200 65.399 63.200 -0.002 0.000 1.113 33 S HN 0.786 nan 8.310 nan 0.000 0.531 34 N N -1.742 116.951 118.700 -0.011 0.000 2.629 34 N HA 0.141 4.882 4.740 0.001 0.000 0.378 34 N C 0.756 176.258 175.510 -0.013 0.000 0.561 34 N CA 0.729 53.770 53.050 -0.015 0.000 1.801 34 N CB -0.508 37.964 38.487 -0.024 0.000 1.139 34 N HN 0.672 nan 8.380 nan 0.000 1.927 35 G N 0.478 109.268 108.800 -0.015 0.000 2.663 35 G HA2 0.447 4.407 3.960 0.001 0.000 0.200 35 G HA3 0.447 4.407 3.960 0.001 0.000 0.200 35 G C 0.243 175.135 174.900 -0.013 0.000 1.114 35 G CA 0.116 45.209 45.100 -0.012 0.000 0.861 35 G HN 0.247 nan 8.290 nan 0.000 0.702 36 I N -0.261 120.297 120.570 -0.020 0.000 3.239 36 I HA 0.578 4.749 4.170 0.001 0.000 0.314 36 I C -1.125 174.975 176.117 -0.030 0.000 1.126 36 I CA -1.413 59.870 61.300 -0.027 0.000 0.973 36 I CB 2.498 40.473 38.000 -0.042 0.000 1.252 36 I HN -0.186 nan 8.210 nan 0.000 0.463 37 V N 3.865 123.757 119.914 -0.038 0.000 2.398 37 V HA 0.577 4.697 4.120 0.001 0.000 0.286 37 V C -0.656 175.412 176.094 -0.045 0.000 1.026 37 V CA -0.306 61.974 62.300 -0.033 0.000 0.868 37 V CB 1.673 33.477 31.823 -0.031 0.000 0.982 37 V HN 0.439 nan 8.190 nan 0.000 0.443 38 V N 5.901 125.803 119.914 -0.020 0.000 2.667 38 V HA 0.960 5.080 4.120 0.001 0.000 0.308 38 V C 0.181 176.292 176.094 0.028 0.000 1.048 38 V CA -0.110 62.183 62.300 -0.011 0.000 0.928 38 V CB 1.623 33.443 31.823 -0.005 0.000 1.004 38 V HN 1.182 nan 8.190 nan 0.000 0.444 39 A N 2.516 125.341 122.820 0.008 0.000 2.459 39 A HA 0.914 5.235 4.320 0.001 0.000 0.296 39 A C -0.347 177.243 177.584 0.010 0.000 1.039 39 A CA -0.259 51.777 52.037 -0.001 0.000 0.698 39 A CB 1.993 20.959 19.000 -0.056 0.000 1.261 39 A HN 1.023 nan 8.150 nan 0.000 0.405 40 T N -1.164 113.406 114.554 0.027 0.000 2.883 40 T HA 0.808 5.159 4.350 0.001 0.000 0.296 40 T C -0.872 173.851 174.700 0.038 0.000 1.117 40 T CA -0.605 61.528 62.100 0.054 0.000 1.006 40 T CB 2.088 71.046 68.868 0.151 0.000 1.191 40 T HN 0.725 nan 8.240 nan 0.000 0.508 41 E N 1.545 121.789 120.200 0.073 0.000 2.448 41 E HA 0.200 4.550 4.350 0.001 0.000 0.288 41 E C -1.264 175.397 176.600 0.102 0.000 0.936 41 E CA -0.764 55.669 56.400 0.055 0.000 0.809 41 E CB 0.580 30.260 29.700 -0.033 0.000 1.408 41 E HN 0.881 nan 8.360 nan 0.000 0.393 42 H N 2.650 121.703 119.070 -0.028 0.000 2.467 42 H HA 0.530 5.086 4.556 0.000 0.000 0.326 42 H C -0.919 174.391 175.328 -0.030 0.000 1.094 42 H CA -1.030 55.005 56.048 -0.022 0.000 1.253 42 H CB 1.031 30.790 29.762 -0.005 0.000 1.439 42 H HN 0.296 nan 8.280 nan 0.000 0.479 43 N N 4.507 123.191 118.700 -0.026 0.000 2.621 43 N HA 0.107 4.847 4.740 0.001 0.000 0.271 43 N C -2.920 172.560 175.510 -0.050 0.000 1.181 43 N CA -1.166 51.835 53.050 -0.082 0.000 0.805 43 N CB 2.390 40.822 38.487 -0.090 0.000 1.351 43 N HN 0.473 nan 8.380 nan 0.000 0.539 44 P HA -0.087 nan 4.420 nan 0.000 0.238 44 P C -0.423 176.828 177.300 -0.080 0.000 1.090 44 P CA 0.525 63.608 63.100 -0.028 0.000 0.944 44 P CB 0.328 32.022 31.700 -0.010 0.000 0.881 45 A N 4.207 126.952 122.820 -0.125 0.000 3.141 45 A HA 0.495 4.815 4.320 0.001 0.000 0.187 45 A C 0.871 178.316 177.584 -0.232 0.000 1.089 45 A CA -0.031 51.832 52.037 -0.290 0.000 1.284 45 A CB 0.116 18.829 19.000 -0.479 0.000 1.762 45 A HN 0.484 nan 8.150 nan 0.000 0.626 46 H N 0.101 119.181 119.070 0.017 0.000 2.875 46 H HA 0.391 4.948 4.556 0.000 0.000 0.305 46 H C 1.340 176.677 175.328 0.016 0.000 1.379 46 H CA 0.581 56.638 56.048 0.015 0.000 2.034 46 H CB -1.201 28.569 29.762 0.014 0.000 1.566 46 H HN 0.651 nan 8.280 nan 0.000 0.607 47 T N -0.873 113.815 114.554 0.223 0.000 2.753 47 T HA 0.626 4.977 4.350 0.001 0.000 0.309 47 T C 0.200 174.948 174.700 0.080 0.000 1.043 47 T CA -0.284 61.885 62.100 0.115 0.000 0.964 47 T CB 0.657 69.583 68.868 0.097 0.000 1.206 47 T HN 0.742 nan 8.240 nan 0.000 0.528 48 A N 0.252 123.106 122.820 0.058 0.000 2.488 48 A HA 0.638 4.958 4.320 0.001 0.000 0.295 48 A C -0.459 177.149 177.584 0.040 0.000 1.045 48 A CA -0.839 51.224 52.037 0.044 0.000 0.703 48 A CB 1.562 20.583 19.000 0.034 0.000 1.271 48 A HN 0.763 nan 8.150 nan 0.000 0.400 49 S N 0.325 116.047 115.700 0.037 0.000 2.503 49 S HA 0.763 5.234 4.470 0.001 0.000 0.301 49 S C -0.576 174.040 174.600 0.026 0.000 1.087 49 S CA -0.550 57.672 58.200 0.036 0.000 1.042 49 S CB 1.730 64.953 63.200 0.039 0.000 1.043 49 S HN 0.824 nan 8.310 nan 0.000 0.489 50 V N 1.504 121.440 119.914 0.036 0.000 2.656 50 V HA 0.959 5.079 4.120 0.001 0.000 0.307 50 V C 0.333 176.447 176.094 0.034 0.000 1.051 50 V CA -0.401 61.912 62.300 0.022 0.000 0.893 50 V CB 1.779 33.618 31.823 0.027 0.000 0.999 50 V HN 1.053 nan 8.190 nan 0.000 0.426 51 G N 1.454 110.244 108.800 -0.017 0.000 2.673 51 G HA2 0.534 4.494 3.960 0.001 0.000 0.292 51 G HA3 0.534 4.494 3.960 0.001 0.000 0.292 51 G C -1.882 172.920 174.900 -0.163 0.000 1.450 51 G CA -0.585 44.492 45.100 -0.037 0.000 0.837 51 G HN 0.715 nan 8.290 nan 0.000 0.505 52 V N 0.953 120.704 119.914 -0.271 0.000 2.383 52 V HA 0.647 4.767 4.120 0.001 0.000 0.275 52 V C -0.533 175.201 176.094 -0.600 0.000 1.036 52 V CA -0.394 61.579 62.300 -0.544 0.000 0.889 52 V CB 1.049 32.336 31.823 -0.893 0.000 0.985 52 V HN 0.597 nan 8.190 nan 0.000 0.459 53 V N 8.437 128.020 119.914 -0.552 0.000 2.350 53 V HA 0.464 4.584 4.120 0.001 0.000 0.285 53 V C -0.313 175.551 176.094 -0.384 0.000 1.014 53 V CA -0.460 61.608 62.300 -0.388 0.000 0.831 53 V CB 1.101 32.748 31.823 -0.294 0.000 1.000 53 V HN 0.757 nan 8.190 nan 0.000 0.433 54 F N 2.073 122.024 119.950 0.001 0.000 2.410 54 F HA 0.465 4.992 4.527 0.001 0.000 0.348 54 F C 1.575 177.460 175.800 0.143 0.000 1.106 54 F CA -0.233 57.810 58.000 0.071 0.000 1.163 54 F CB 1.327 40.424 39.000 0.161 0.000 1.129 54 F HN 0.572 nan 8.300 nan 0.000 0.516 55 G N 1.614 110.593 108.800 0.299 0.000 3.186 55 G HA2 0.127 4.088 3.960 0.001 0.000 0.214 55 G HA3 0.127 4.088 3.960 0.001 0.000 0.214 55 G C -0.083 174.952 174.900 0.226 0.000 1.222 55 G CA 0.054 45.291 45.100 0.228 0.000 0.921 55 G HN 0.462 nan 8.290 nan 0.000 0.504 56 S N -1.762 114.096 115.700 0.262 0.000 2.548 56 S HA 0.830 5.301 4.470 0.001 0.000 0.286 56 S C 0.294 174.997 174.600 0.172 0.000 1.098 56 S CA -0.094 58.190 58.200 0.139 0.000 0.930 56 S CB 2.353 65.551 63.200 -0.003 0.000 1.070 56 S HN 0.525 nan 8.310 nan 0.000 0.480 57 G N 0.542 109.393 108.800 0.085 0.000 2.827 57 G HA2 0.598 4.558 3.960 0.001 0.000 0.202 57 G HA3 0.598 4.558 3.960 0.001 0.000 0.202 57 G C 0.726 175.621 174.900 -0.010 0.000 1.185 57 G CA 0.112 45.249 45.100 0.061 0.000 0.920 57 G HN 0.769 nan 8.290 nan 0.000 0.550 58 A N -0.226 122.534 122.820 -0.100 0.000 1.948 58 A HA 0.195 4.515 4.320 0.001 0.000 0.220 58 A C 2.607 180.122 177.584 -0.115 0.000 1.177 58 A CA 3.101 55.057 52.037 -0.136 0.000 0.636 58 A CB -0.987 17.900 19.000 -0.188 0.000 0.815 58 A HN 1.675 nan 8.150 nan 0.000 0.449 59 A N -0.311 122.438 122.820 -0.118 0.000 2.172 59 A HA -0.087 4.233 4.320 0.001 0.000 0.216 59 A C 1.513 179.069 177.584 -0.047 0.000 1.154 59 A CA 1.178 53.153 52.037 -0.103 0.000 0.701 59 A CB -0.453 18.472 19.000 -0.126 0.000 0.789 59 A HN 0.646 nan 8.150 nan 0.000 0.465 60 N N 0.062 118.749 118.700 -0.023 0.000 2.230 60 N HA 0.056 4.796 4.740 0.001 0.000 0.202 60 N C -0.123 175.445 175.510 0.097 0.000 1.119 60 N CA 0.099 53.153 53.050 0.005 0.000 0.851 60 N CB 0.553 38.959 38.487 -0.134 0.000 0.990 60 N HN 0.650 nan 8.380 nan 0.000 0.497 61 E N 0.860 121.091 120.200 0.053 0.000 2.504 61 E HA 0.310 4.660 4.350 0.001 0.000 0.253 61 E C -0.597 176.020 176.600 0.028 0.000 1.151 61 E CA -0.514 55.917 56.400 0.052 0.000 0.972 61 E CB 0.808 30.463 29.700 -0.076 0.000 1.247 61 E HN 0.112 nan 8.360 nan 0.000 0.519 62 N N -0.260 118.450 118.700 0.017 0.000 2.328 62 N HA 0.203 4.944 4.740 0.001 0.000 0.299 62 N C -2.348 173.103 175.510 -0.099 0.000 1.179 62 N CA -1.361 51.687 53.050 -0.003 0.000 0.793 62 N CB 1.603 40.139 38.487 0.082 0.000 1.366 62 N HN 0.084 nan 8.380 nan 0.000 0.493 63 P HA -0.178 nan 4.420 nan 0.000 0.217 63 P C 0.054 177.054 177.300 -0.500 0.000 1.148 63 P CA 1.546 64.370 63.100 -0.461 0.000 0.834 63 P CB 0.030 31.265 31.700 -0.776 0.000 0.783 64 Y N -1.594 118.703 120.300 -0.004 0.000 2.497 64 Y HA 0.107 4.657 4.550 -0.000 0.000 0.265 64 Y C 1.729 177.623 175.900 -0.009 0.000 1.111 64 Y CA 0.462 58.560 58.100 -0.004 0.000 1.288 64 Y CB -0.841 37.621 38.460 0.003 0.000 1.082 64 Y HN 0.116 nan 8.280 nan 0.000 0.536 65 N N -0.978 117.775 118.700 0.089 0.000 2.187 65 N HA 0.000 4.740 4.740 0.001 0.000 0.212 65 N C -0.097 175.386 175.510 -0.045 0.000 1.152 65 N CA -0.292 52.782 53.050 0.040 0.000 0.872 65 N CB 0.029 38.557 38.487 0.068 0.000 1.025 65 N HN -0.078 nan 8.380 nan 0.000 0.514 66 N N 0.984 119.643 118.700 -0.067 0.000 2.357 66 N HA 0.141 4.881 4.740 0.001 0.000 0.257 66 N C 1.011 176.452 175.510 -0.116 0.000 1.250 66 N CA 2.068 55.051 53.050 -0.112 0.000 0.862 66 N CB 0.405 38.819 38.487 -0.122 0.000 1.066 66 N HN 0.498 nan 8.380 nan 0.000 0.468 67 G N 1.388 110.099 108.800 -0.148 0.000 2.134 67 G HA2 -0.228 3.732 3.960 0.001 0.000 0.209 67 G HA3 -0.228 3.732 3.960 0.001 0.000 0.209 67 G C 0.697 175.517 174.900 -0.134 0.000 0.993 67 G CA 0.168 45.186 45.100 -0.137 0.000 0.669 67 G HN 0.606 nan 8.290 nan 0.000 0.519 68 V N 0.286 120.085 119.914 -0.191 0.000 2.407 68 V HA 0.009 4.130 4.120 0.001 0.000 0.245 68 V C 2.591 178.616 176.094 -0.115 0.000 1.041 68 V CA 3.057 65.237 62.300 -0.199 0.000 1.040 68 V CB -0.004 31.622 31.823 -0.328 0.000 0.671 68 V HN 0.409 nan 8.190 nan 0.000 0.455 69 S N 0.843 116.427 115.700 -0.193 0.000 2.368 69 S HA -0.179 4.291 4.470 0.001 0.000 0.224 69 S C 1.818 176.507 174.600 0.147 0.000 1.029 69 S CA 1.760 59.995 58.200 0.058 0.000 0.988 69 S CB -0.561 62.625 63.200 -0.023 0.000 0.838 69 S HN 0.744 nan 8.310 nan 0.000 0.462 70 N N 1.087 119.791 118.700 0.007 0.000 2.381 70 N HA -0.023 4.717 4.740 0.001 0.000 0.182 70 N C 1.407 176.938 175.510 0.035 0.000 1.025 70 N CA 0.445 53.495 53.050 0.001 0.000 0.888 70 N CB -0.270 38.167 38.487 -0.083 0.000 0.965 70 N HN 0.203 nan 8.380 nan 0.000 0.438 71 L N -1.214 120.022 121.223 0.021 0.000 2.270 71 L HA 0.197 4.537 4.340 0.001 0.000 0.210 71 L C 1.510 178.408 176.870 0.047 0.000 1.104 71 L CA 1.013 55.831 54.840 -0.035 0.000 0.804 71 L CB -0.626 41.364 42.059 -0.115 0.000 0.937 71 L HN 0.243 nan 8.230 nan 0.000 0.450 72 W N 0.238 121.639 121.300 0.169 0.000 2.407 72 W HA -0.137 4.523 4.660 0.000 0.000 0.305 72 W C 2.649 179.397 176.519 0.382 0.000 1.196 72 W CA 1.389 58.914 57.345 0.299 0.000 1.311 72 W CB -0.052 29.690 29.460 0.469 0.000 1.135 72 W HN 0.003 nan 8.180 nan 0.000 0.514 73 K N 0.536 121.303 120.400 0.613 0.000 2.089 73 K HA -0.245 4.075 4.320 0.001 0.000 0.210 73 K C 1.391 178.219 176.600 0.380 0.000 1.048 73 K CA 1.742 58.309 56.287 0.467 0.000 0.926 73 K CB -0.588 32.029 32.500 0.196 0.000 0.714 73 K HN 0.230 nan 8.250 nan 0.000 0.448 74 N N 0.844 119.688 118.700 0.239 0.000 2.446 74 N HA -0.064 4.676 4.740 0.001 0.000 0.179 74 N C 1.944 177.542 175.510 0.147 0.000 1.054 74 N CA 1.135 54.276 53.050 0.151 0.000 0.905 74 N CB 0.049 38.560 38.487 0.041 0.000 0.973 74 N HN 0.465 nan 8.380 nan 0.000 0.448 75 I N -2.326 118.355 120.570 0.185 0.000 2.480 75 I HA -0.002 4.168 4.170 0.001 0.000 0.251 75 I C 2.133 178.381 176.117 0.218 0.000 1.124 75 I CA 0.599 61.982 61.300 0.138 0.000 1.444 75 I CB -0.488 37.556 38.000 0.074 0.000 1.098 75 I HN -0.206 nan 8.210 nan 0.000 0.428 76 F N 2.177 122.262 119.950 0.225 0.000 2.216 76 F HA 0.021 4.548 4.527 0.001 0.000 0.300 76 F C 1.594 177.527 175.800 0.222 0.000 1.085 76 F CA 1.537 59.672 58.000 0.225 0.000 1.326 76 F CB 0.092 39.307 39.000 0.359 0.000 1.027 76 F HN -0.003 nan 8.300 nan 0.000 0.497 77 L N -0.346 121.085 121.223 0.346 0.000 2.653 77 L HA 0.159 4.500 4.340 0.001 0.000 0.231 77 L C 1.093 178.023 176.870 0.100 0.000 1.153 77 L CA -0.315 54.655 54.840 0.216 0.000 0.933 77 L CB -0.598 41.613 42.059 0.252 0.000 1.175 77 L HN -0.008 nan 8.230 nan 0.000 0.473 78 S N 0.525 116.269 115.700 0.073 0.000 2.576 78 S HA -0.053 4.417 4.470 0.001 0.000 0.272 78 S C 1.409 176.021 174.600 0.019 0.000 1.352 78 S CA -0.062 58.160 58.200 0.036 0.000 1.021 78 S CB 1.064 64.280 63.200 0.027 0.000 0.887 78 S HN 0.361 nan 8.310 nan 0.000 0.542 79 K N 1.661 122.069 120.400 0.013 0.000 2.147 79 K HA -0.109 4.212 4.320 0.001 0.000 0.205 79 K C 1.931 178.537 176.600 0.009 0.000 1.049 79 K CA 1.609 57.901 56.287 0.008 0.000 0.936 79 K CB -0.184 32.319 32.500 0.005 0.000 0.722 79 K HN 0.761 nan 8.250 nan 0.000 0.446 80 E N 0.161 120.367 120.200 0.010 0.000 2.051 80 E HA -0.194 4.156 4.350 0.001 0.000 0.192 80 E C 1.718 178.331 176.600 0.022 0.000 0.991 80 E CA 1.225 57.632 56.400 0.012 0.000 0.799 80 E CB 0.018 29.723 29.700 0.008 0.000 0.748 80 E HN 0.259 nan 8.360 nan 0.000 0.449 81 N N -0.426 118.285 118.700 0.019 0.000 2.376 81 N HA -0.009 4.732 4.740 0.001 0.000 0.177 81 N C 1.613 177.170 175.510 0.078 0.000 1.024 81 N CA 0.596 53.679 53.050 0.056 0.000 0.893 81 N CB 0.138 38.610 38.487 -0.025 0.000 0.980 81 N HN -0.089 nan 8.380 nan 0.000 0.439 82 S N -0.188 115.518 115.700 0.010 0.000 2.402 82 S HA -0.020 4.450 4.470 0.001 0.000 0.229 82 S C 1.909 176.487 174.600 -0.036 0.000 1.021 82 S CA 1.013 59.196 58.200 -0.028 0.000 0.974 82 S CB -0.231 62.961 63.200 -0.012 0.000 0.800 82 S HN 0.521 nan 8.310 nan 0.000 0.484 83 A N 0.955 123.772 122.820 -0.005 0.000 1.929 83 A HA 0.026 4.346 4.320 0.001 0.000 0.216 83 A C 2.253 179.839 177.584 0.003 0.000 1.176 83 A CA 1.044 53.078 52.037 -0.005 0.000 0.628 83 A CB -0.695 18.308 19.000 0.006 0.000 0.816 83 A HN 0.338 nan 8.150 nan 0.000 0.444 84 V N -0.297 119.647 119.914 0.050 0.000 2.407 84 V HA -0.225 3.895 4.120 0.001 0.000 0.248 84 V C 2.836 178.960 176.094 0.050 0.000 1.055 84 V CA 1.966 64.334 62.300 0.114 0.000 1.049 84 V CB -0.931 31.040 31.823 0.247 0.000 0.662 84 V HN 0.597 nan 8.190 nan 0.000 0.455 85 A N -0.748 121.975 122.820 -0.161 0.000 2.095 85 A HA 0.349 4.669 4.320 0.001 0.000 0.212 85 A C 2.294 179.729 177.584 -0.249 0.000 1.162 85 A CA 1.129 52.874 52.037 -0.486 0.000 0.753 85 A CB -0.307 18.019 19.000 -1.124 0.000 0.840 85 A HN 0.483 nan 8.150 nan 0.000 0.468 86 A N 0.669 123.402 122.820 -0.145 0.000 1.897 86 A HA -0.087 4.233 4.320 0.001 0.000 0.215 86 A C 2.073 179.622 177.584 -0.057 0.000 1.181 86 A CA 1.576 53.560 52.037 -0.088 0.000 0.620 86 A CB -0.348 18.619 19.000 -0.056 0.000 0.821 86 A HN 0.472 nan 8.150 nan 0.000 0.443 87 K N -0.541 119.835 120.400 -0.039 0.000 2.002 87 K HA -0.176 4.144 4.320 0.001 0.000 0.209 87 K C 1.894 178.481 176.600 -0.021 0.000 1.048 87 K CA 1.583 57.858 56.287 -0.019 0.000 0.930 87 K CB -0.176 32.322 32.500 -0.003 0.000 0.714 87 K HN 0.383 nan 8.250 nan 0.000 0.438 88 E N 0.131 120.314 120.200 -0.028 0.000 2.463 88 E HA -0.077 4.274 4.350 0.001 0.000 0.201 88 E C 0.330 176.907 176.600 -0.038 0.000 1.045 88 E CA 0.716 57.102 56.400 -0.023 0.000 0.872 88 E CB -0.203 29.487 29.700 -0.016 0.000 0.797 88 E HN 0.492 nan 8.360 nan 0.000 0.538 89 G N 0.090 108.859 108.800 -0.052 0.000 2.291 89 G HA2 -0.197 3.763 3.960 0.001 0.000 0.271 89 G HA3 -0.197 3.763 3.960 0.001 0.000 0.271 89 G C -0.567 174.296 174.900 -0.063 0.000 1.099 89 G CA 0.273 45.345 45.100 -0.046 0.000 0.919 89 G HN 0.096 nan 8.290 nan 0.000 0.496 90 L N -0.574 120.582 121.223 -0.110 0.000 2.309 90 L HA 1.004 5.344 4.340 0.001 0.000 0.261 90 L C 0.360 177.154 176.870 -0.125 0.000 1.021 90 L CA -1.086 53.675 54.840 -0.131 0.000 0.823 90 L CB 1.732 43.645 42.059 -0.243 0.000 1.366 90 L HN 0.892 nan 8.230 nan 0.000 0.423 91 A N 1.622 124.392 122.820 -0.082 0.000 2.359 91 A HA 0.805 5.125 4.320 0.001 0.000 0.303 91 A C -1.140 176.448 177.584 0.008 0.000 1.066 91 A CA -0.439 51.575 52.037 -0.039 0.000 0.730 91 A CB 0.850 19.847 19.000 -0.006 0.000 1.211 91 A HN 0.583 nan 8.150 nan 0.000 0.439 92 L N 1.642 122.887 121.223 0.038 0.000 2.312 92 L HA 0.626 4.966 4.340 0.001 0.000 0.281 92 L C 0.033 177.038 176.870 0.226 0.000 1.070 92 L CA -0.262 54.694 54.840 0.194 0.000 0.805 92 L CB 1.716 43.889 42.059 0.190 0.000 1.174 92 L HN 0.633 nan 8.230 nan 0.000 0.434 93 S N 1.383 117.248 115.700 0.275 0.000 2.736 93 S HA 0.375 4.845 4.470 0.001 0.000 0.285 93 S C -0.702 173.967 174.600 0.116 0.000 1.163 93 S CA -0.534 57.767 58.200 0.168 0.000 1.025 93 S CB 1.860 65.119 63.200 0.099 0.000 1.030 93 S HN 0.612 nan 8.310 nan 0.000 0.486 94 S N 2.487 118.236 115.700 0.082 0.000 2.578 94 S HA 0.688 5.158 4.470 0.001 0.000 0.301 94 S C -0.895 173.647 174.600 -0.096 0.000 1.091 94 S CA -0.735 57.403 58.200 -0.104 0.000 1.032 94 S CB 1.011 64.173 63.200 -0.064 0.000 1.064 94 S HN 0.800 nan 8.310 nan 0.000 0.508 95 N N 3.253 121.844 118.700 -0.182 0.000 2.336 95 N HA 0.366 5.106 4.740 0.001 0.000 0.290 95 N C -1.790 173.635 175.510 -0.142 0.000 1.058 95 N CA -0.547 52.448 53.050 -0.091 0.000 0.865 95 N CB 0.875 39.376 38.487 0.024 0.000 1.581 95 N HN 0.430 nan 8.380 nan 0.000 0.480 96 I N 2.306 122.786 120.570 -0.149 0.000 2.382 96 I HA 0.355 4.525 4.170 0.001 0.000 0.286 96 I C 0.086 176.033 176.117 -0.284 0.000 1.002 96 I CA -0.327 60.863 61.300 -0.183 0.000 1.135 96 I CB 0.828 38.758 38.000 -0.116 0.000 1.288 96 I HN 0.440 nan 8.210 nan 0.000 0.448 97 S N 5.391 120.812 115.700 -0.464 0.000 2.806 97 S HA 0.564 5.034 4.470 0.001 0.000 0.315 97 S C 1.210 175.572 174.600 -0.397 0.000 1.127 97 S CA -0.707 57.173 58.200 -0.534 0.000 0.918 97 S CB 2.476 65.074 63.200 -1.004 0.000 1.240 97 S HN 0.519 nan 8.310 nan 0.000 0.552 98 R N 0.909 121.205 120.500 -0.339 0.000 2.055 98 R HA -0.008 4.332 4.340 0.001 0.000 0.228 98 R C 0.850 177.039 176.300 -0.185 0.000 1.143 98 R CA 1.332 57.258 56.100 -0.290 0.000 0.945 98 R CB -0.412 29.616 30.300 -0.452 0.000 0.841 98 R HN 0.513 nan 8.270 nan 0.000 0.429 99 D N -0.060 120.279 120.400 -0.101 0.000 2.224 99 D HA -0.014 4.626 4.640 0.001 0.000 0.205 99 D C 0.558 176.959 176.300 0.169 0.000 0.965 99 D CA 1.012 55.055 54.000 0.072 0.000 0.852 99 D CB 0.221 41.166 40.800 0.242 0.000 0.947 99 D HN 0.091 nan 8.370 nan 0.000 0.494 100 F N -1.232 118.751 119.950 0.056 0.000 2.894 100 F HA 0.634 5.162 4.527 0.001 0.000 0.332 100 F C -1.034 174.811 175.800 0.075 0.000 1.192 100 F CA -1.215 56.828 58.000 0.072 0.000 0.980 100 F CB 1.415 40.444 39.000 0.048 0.000 1.448 100 F HN -0.359 nan 8.300 nan 0.000 0.514 101 Q N 0.745 120.830 119.800 0.475 0.000 2.391 101 Q HA 0.631 4.971 4.340 0.001 0.000 0.279 101 Q C -1.989 174.165 176.000 0.256 0.000 1.028 101 Q CA -0.719 55.248 55.803 0.275 0.000 0.836 101 Q CB 2.481 31.448 28.738 0.381 0.000 1.414 101 Q HN 1.079 nan 8.270 nan 0.000 0.397 102 S N 1.381 117.025 115.700 -0.093 0.000 2.546 102 S HA 0.641 5.111 4.470 0.001 0.000 0.272 102 S C -1.739 172.464 174.600 -0.662 0.000 1.140 102 S CA -0.563 57.498 58.200 -0.232 0.000 0.920 102 S CB 0.839 64.008 63.200 -0.053 0.000 1.083 102 S HN 0.522 nan 8.310 nan 0.000 0.476 103 Y N 1.885 122.052 120.300 -0.220 0.000 2.332 103 Y HA 0.616 5.166 4.550 0.000 0.000 0.326 103 Y C -0.252 175.530 175.900 -0.195 0.000 0.978 103 Y CA -0.772 57.077 58.100 -0.418 0.000 1.205 103 Y CB 1.281 39.372 38.460 -0.615 0.000 1.131 103 Y HN 0.639 nan 8.280 nan 0.000 0.462 104 I N 3.706 124.295 120.570 0.032 0.000 2.569 104 I HA 0.568 4.738 4.170 0.001 0.000 0.296 104 I C -0.953 175.307 176.117 0.238 0.000 1.028 104 I CA -1.245 60.125 61.300 0.115 0.000 1.082 104 I CB 2.093 40.118 38.000 0.041 0.000 1.264 104 I HN 0.182 nan 8.210 nan 0.000 0.429 105 V N 4.321 124.360 119.914 0.209 0.000 2.444 105 V HA 0.357 4.478 4.120 0.001 0.000 0.294 105 V C -0.064 176.083 176.094 0.089 0.000 1.022 105 V CA -0.440 61.965 62.300 0.175 0.000 0.850 105 V CB 1.730 33.679 31.823 0.210 0.000 0.992 105 V HN 0.767 nan 8.190 nan 0.000 0.426 106 S N 3.326 119.060 115.700 0.056 0.000 2.616 106 S HA 0.868 5.339 4.470 0.001 0.000 0.277 106 S C 0.035 174.644 174.600 0.014 0.000 1.234 106 S CA -0.514 57.708 58.200 0.037 0.000 1.028 106 S CB 1.621 64.843 63.200 0.036 0.000 0.988 106 S HN 1.060 nan 8.310 nan 0.000 0.522 107 S N 1.148 116.860 115.700 0.020 0.000 2.636 107 S HA 0.551 5.022 4.470 0.001 0.000 0.268 107 S C -1.406 173.208 174.600 0.023 0.000 1.159 107 S CA -0.985 57.222 58.200 0.012 0.000 0.815 107 S CB 0.207 63.413 63.200 0.011 0.000 1.130 107 S HN 0.317 nan 8.310 nan 0.000 0.471 108 L N 2.612 123.846 121.223 0.018 0.000 2.464 108 L HA 0.397 4.737 4.340 0.001 0.000 0.264 108 L C -0.797 176.088 176.870 0.025 0.000 1.199 108 L CA -1.673 53.182 54.840 0.025 0.000 0.818 108 L CB -0.319 41.752 42.059 0.019 0.000 1.102 108 L HN 0.608 nan 8.230 nan 0.000 0.473 109 P HA -0.165 nan 4.420 nan 0.000 0.216 109 P C 1.279 178.588 177.300 0.015 0.000 1.154 109 P CA 1.888 65.002 63.100 0.024 0.000 0.865 109 P CB 0.261 31.976 31.700 0.025 0.000 0.789 110 G N -0.368 108.440 108.800 0.014 0.000 2.408 110 G HA2 -0.128 3.833 3.960 0.001 0.000 0.215 110 G HA3 -0.128 3.833 3.960 0.001 0.000 0.215 110 G C 1.385 176.291 174.900 0.010 0.000 1.156 110 G CA 0.353 45.459 45.100 0.010 0.000 0.793 110 G HN 0.254 nan 8.290 nan 0.000 0.535 111 S N 0.588 116.296 115.700 0.012 0.000 2.881 111 S HA 0.018 4.488 4.470 0.001 0.000 0.228 111 S C 1.972 176.582 174.600 0.018 0.000 0.965 111 S CA 0.708 58.916 58.200 0.014 0.000 0.998 111 S CB -0.277 62.930 63.200 0.011 0.000 0.795 111 S HN 0.444 nan 8.310 nan 0.000 0.518 112 T N 1.109 115.671 114.554 0.014 0.000 2.946 112 T HA -0.158 4.193 4.350 0.001 0.000 0.271 112 T C 1.134 175.845 174.700 0.019 0.000 1.104 112 T CA 1.489 63.598 62.100 0.014 0.000 1.114 112 T CB -0.253 68.617 68.868 0.003 0.000 0.867 112 T HN 0.382 nan 8.240 nan 0.000 0.513 113 D N -0.707 119.705 120.400 0.019 0.000 2.301 113 D HA 0.171 4.811 4.640 0.001 0.000 0.206 113 D C 2.131 178.457 176.300 0.044 0.000 0.979 113 D CA 0.357 54.372 54.000 0.025 0.000 0.874 113 D CB 0.117 40.926 40.800 0.016 0.000 0.968 113 D HN 0.159 nan 8.370 nan 0.000 0.510 114 K N -0.070 120.356 120.400 0.044 0.000 2.147 114 K HA 0.000 4.321 4.320 0.001 0.000 0.205 114 K C 1.915 178.572 176.600 0.095 0.000 1.049 114 K CA 0.755 57.078 56.287 0.059 0.000 0.936 114 K CB -0.054 32.467 32.500 0.035 0.000 0.722 114 K HN -0.060 nan 8.250 nan 0.000 0.446 115 S N 0.533 116.284 115.700 0.085 0.000 2.335 115 S HA -0.069 4.401 4.470 0.001 0.000 0.216 115 S C 1.774 176.481 174.600 0.178 0.000 1.032 115 S CA 1.129 59.405 58.200 0.126 0.000 1.000 115 S CB -0.354 62.899 63.200 0.089 0.000 0.928 115 S HN 0.188 nan 8.310 nan 0.000 0.434 116 L N 1.641 122.934 121.223 0.115 0.000 2.129 116 L HA -0.190 4.151 4.340 0.001 0.000 0.212 116 L C 1.799 178.737 176.870 0.113 0.000 1.087 116 L CA 1.094 55.994 54.840 0.100 0.000 0.757 116 L CB -0.641 41.448 42.059 0.050 0.000 0.896 116 L HN 0.248 nan 8.230 nan 0.000 0.434 117 D N -1.093 119.377 120.400 0.117 0.000 2.348 117 D HA -0.137 4.503 4.640 0.001 0.000 0.216 117 D C 1.722 178.105 176.300 0.139 0.000 0.970 117 D CA 0.917 54.979 54.000 0.104 0.000 0.889 117 D CB 0.191 41.043 40.800 0.087 0.000 0.912 117 D HN 0.305 nan 8.370 nan 0.000 0.524 118 F N 0.334 120.321 119.950 0.061 0.000 2.383 118 F HA 0.020 4.548 4.527 0.000 0.000 0.287 118 F C 1.889 177.763 175.800 0.123 0.000 1.069 118 F CA 0.056 58.095 58.000 0.065 0.000 1.402 118 F CB 0.056 39.087 39.000 0.052 0.000 1.116 118 F HN -0.224 nan 8.300 nan 0.000 0.549 119 L N 1.225 122.635 121.223 0.312 0.000 1.971 119 L HA -0.303 4.037 4.340 0.001 0.000 0.215 119 L C 2.273 179.288 176.870 0.241 0.000 1.072 119 L CA 1.996 57.042 54.840 0.344 0.000 0.758 119 L CB -1.516 40.697 42.059 0.257 0.000 0.889 119 L HN 0.327 nan 8.230 nan 0.000 0.433 120 N N -0.317 118.463 118.700 0.133 0.000 2.223 120 N HA -0.244 4.496 4.740 0.001 0.000 0.185 120 N C 1.824 177.354 175.510 0.034 0.000 1.016 120 N CA 1.218 54.324 53.050 0.094 0.000 0.863 120 N CB 0.103 38.625 38.487 0.057 0.000 0.983 120 N HN 0.484 nan 8.380 nan 0.000 0.429 121 Q N 0.013 119.778 119.800 -0.059 0.000 2.119 121 Q HA -0.020 4.320 4.340 0.001 0.000 0.201 121 Q C 1.384 177.262 176.000 -0.204 0.000 0.972 121 Q CA 1.233 56.952 55.803 -0.139 0.000 0.847 121 Q CB 0.135 28.748 28.738 -0.208 0.000 0.903 121 Q HN 0.251 nan 8.270 nan 0.000 0.433 122 S N -0.718 114.801 115.700 -0.303 0.000 2.501 122 S HA 0.084 4.555 4.470 0.001 0.000 0.220 122 S C 0.610 175.029 174.600 -0.301 0.000 0.997 122 S CA 0.124 58.115 58.200 -0.348 0.000 0.919 122 S CB 0.164 63.042 63.200 -0.536 0.000 0.778 122 S HN 0.322 nan 8.310 nan 0.000 0.523 123 F N 0.193 120.117 119.950 -0.042 0.000 2.639 123 F HA 0.507 5.035 4.527 0.000 0.000 0.302 123 F C 1.058 176.859 175.800 0.002 0.000 1.097 123 F CA 0.004 57.994 58.000 -0.016 0.000 1.294 123 F CB 0.307 39.299 39.000 -0.013 0.000 1.027 123 F HN 0.124 nan 8.300 nan 0.000 0.550 124 I N -2.210 118.425 120.570 0.108 0.000 3.639 124 I HA -0.098 4.072 4.170 0.001 0.000 0.265 124 I C 2.045 178.180 176.117 0.031 0.000 1.087 124 I CA 0.161 61.507 61.300 0.076 0.000 1.427 124 I CB -0.022 38.019 38.000 0.069 0.000 1.824 124 I HN -0.180 nan 8.210 nan 0.000 0.391 125 Q N 1.712 121.513 119.800 0.001 0.000 2.020 125 Q HA -0.111 4.229 4.340 0.001 0.000 0.198 125 Q C 1.214 177.200 176.000 -0.025 0.000 0.974 125 Q CA 1.639 57.433 55.803 -0.015 0.000 0.829 125 Q CB 0.104 28.823 28.738 -0.031 0.000 0.894 125 Q HN 0.477 nan 8.270 nan 0.000 0.433 126 Q N 0.486 120.251 119.800 -0.057 0.000 2.247 126 Q HA 0.020 4.360 4.340 0.001 0.000 0.234 126 Q C 0.329 176.317 176.000 -0.020 0.000 0.899 126 Q CA -0.061 55.707 55.803 -0.058 0.000 0.951 126 Q CB 0.385 29.053 28.738 -0.116 0.000 1.057 126 Q HN -0.030 nan 8.270 nan 0.000 0.444 127 K N -0.390 120.019 120.400 0.016 0.000 2.417 127 K HA 0.140 4.460 4.320 0.001 0.000 0.196 127 K C 0.814 177.463 176.600 0.082 0.000 1.023 127 K CA 0.086 56.421 56.287 0.080 0.000 1.122 127 K CB 0.395 32.951 32.500 0.094 0.000 0.850 127 K HN 0.236 nan 8.250 nan 0.000 0.521 128 A N -0.910 121.933 122.820 0.039 0.000 2.066 128 A HA 0.230 4.551 4.320 0.001 0.000 0.198 128 A C 0.465 178.054 177.584 0.009 0.000 1.405 128 A CA -0.129 51.922 52.037 0.023 0.000 0.973 128 A CB -0.033 18.974 19.000 0.012 0.000 1.026 128 A HN 0.278 nan 8.150 nan 0.000 0.474 129 N N -0.925 117.777 118.700 0.004 0.000 2.374 129 N HA 0.549 5.289 4.740 0.001 0.000 0.284 129 N C 0.739 176.251 175.510 0.004 0.000 1.280 129 N CA 0.233 53.281 53.050 -0.004 0.000 0.963 129 N CB 0.337 38.814 38.487 -0.017 0.000 1.141 129 N HN 0.186 nan 8.380 nan 0.000 0.565 130 L N -1.818 119.407 121.223 0.003 0.000 3.419 130 L HA -0.384 3.957 4.340 0.001 0.000 0.211 130 L C 1.300 178.186 176.870 0.028 0.000 4.425 130 L CA 1.273 56.123 54.840 0.015 0.000 0.584 130 L CB -1.085 40.987 42.059 0.023 0.000 3.534 130 L HN 0.460 nan 8.230 nan 0.000 0.751 131 L N 1.383 122.612 121.223 0.009 0.000 2.642 131 L HA -0.029 4.311 4.340 0.001 0.000 0.236 131 L C 1.344 178.189 176.870 -0.041 0.000 1.169 131 L CA 0.531 55.352 54.840 -0.033 0.000 0.851 131 L CB -0.585 41.424 42.059 -0.083 0.000 0.968 131 L HN 0.497 nan 8.230 nan 0.000 0.453 132 S N -1.269 114.427 115.700 -0.006 0.000 2.549 132 S HA 0.120 4.590 4.470 0.001 0.000 0.283 132 S C 0.480 175.093 174.600 0.022 0.000 1.320 132 S CA -0.667 57.529 58.200 -0.008 0.000 1.058 132 S CB 1.475 64.675 63.200 0.000 0.000 0.882 132 S HN 0.190 nan 8.310 nan 0.000 0.498 133 S N 2.548 118.255 115.700 0.010 0.000 2.589 133 S HA 0.207 4.677 4.470 0.001 0.000 0.256 133 S C 1.126 175.756 174.600 0.051 0.000 1.383 133 S CA 0.508 58.736 58.200 0.048 0.000 0.983 133 S CB -0.553 62.659 63.200 0.020 0.000 0.908 133 S HN 1.539 nan 8.310 nan 0.000 0.572 134 S N 0.221 115.955 115.700 0.057 0.000 2.206 134 S HA -0.223 4.247 4.470 0.001 0.000 0.241 134 S C 0.936 175.555 174.600 0.031 0.000 1.163 134 S CA 1.538 59.758 58.200 0.034 0.000 1.532 134 S CB -1.799 61.413 63.200 0.020 0.000 1.946 134 S HN 0.851 nan 8.310 nan 0.000 0.590 135 N N -0.355 118.375 118.700 0.051 0.000 2.545 135 N HA 0.337 5.077 4.740 0.001 0.000 0.190 135 N C 1.162 176.697 175.510 0.042 0.000 1.043 135 N CA 0.758 53.830 53.050 0.037 0.000 0.879 135 N CB -0.264 38.246 38.487 0.038 0.000 1.210 135 N HN 0.333 nan 8.380 nan 0.000 0.437 136 F N 1.867 121.783 119.950 -0.057 0.000 2.146 136 F HA 0.056 4.583 4.527 0.000 0.000 0.298 136 F C 2.037 177.799 175.800 -0.063 0.000 1.096 136 F CA 1.315 59.268 58.000 -0.079 0.000 1.275 136 F CB 0.005 38.947 39.000 -0.097 0.000 1.008 136 F HN -0.001 nan 8.300 nan 0.000 0.480 137 E N 0.600 120.847 120.200 0.078 0.000 2.110 137 E HA -0.170 4.180 4.350 0.001 0.000 0.193 137 E C 2.361 178.904 176.600 -0.095 0.000 0.988 137 E CA 1.109 57.503 56.400 -0.010 0.000 0.804 137 E CB -0.757 28.978 29.700 0.059 0.000 0.745 137 E HN 0.512 nan 8.360 nan 0.000 0.458 138 A N 0.659 123.436 122.820 -0.071 0.000 1.897 138 A HA -0.107 4.213 4.320 0.001 0.000 0.215 138 A C 2.444 179.961 177.584 -0.111 0.000 1.181 138 A CA 1.825 53.821 52.037 -0.069 0.000 0.620 138 A CB -0.746 18.232 19.000 -0.036 0.000 0.821 138 A HN 0.219 nan 8.150 nan 0.000 0.443 139 T N -0.272 114.185 114.554 -0.161 0.000 2.708 139 T HA -0.135 4.216 4.350 0.001 0.000 0.266 139 T C 2.002 176.545 174.700 -0.260 0.000 1.037 139 T CA 1.661 63.646 62.100 -0.191 0.000 1.146 139 T CB -0.171 68.564 68.868 -0.222 0.000 0.865 139 T HN 0.585 nan 8.240 nan 0.000 0.435 140 K N 1.094 121.244 120.400 -0.417 0.000 2.097 140 K HA -0.070 4.250 4.320 0.001 0.000 0.205 140 K C 2.360 178.835 176.600 -0.209 0.000 1.050 140 K CA 1.198 57.246 56.287 -0.397 0.000 0.938 140 K CB -0.077 32.080 32.500 -0.572 0.000 0.718 140 K HN 0.147 nan 8.250 nan 0.000 0.442 141 K N 0.037 120.342 120.400 -0.158 0.000 2.211 141 K HA -0.045 4.275 4.320 0.001 0.000 0.203 141 K C 1.729 178.281 176.600 -0.079 0.000 1.050 141 K CA 1.226 57.456 56.287 -0.094 0.000 0.945 141 K CB 0.121 32.581 32.500 -0.067 0.000 0.732 141 K HN 0.062 nan 8.250 nan 0.000 0.451 142 S N 0.156 115.803 115.700 -0.089 0.000 2.425 142 S HA -0.078 4.392 4.470 0.001 0.000 0.225 142 S C 1.768 176.330 174.600 -0.063 0.000 1.024 142 S CA 1.011 59.172 58.200 -0.065 0.000 0.951 142 S CB 0.295 63.461 63.200 -0.057 0.000 0.796 142 S HN 0.386 nan 8.310 nan 0.000 0.498 143 V N -0.747 119.115 119.914 -0.088 0.000 3.052 143 V HA 0.202 4.322 4.120 0.001 0.000 0.254 143 V C 1.819 177.868 176.094 -0.074 0.000 1.100 143 V CA 0.698 62.950 62.300 -0.080 0.000 1.112 143 V CB -0.524 31.239 31.823 -0.099 0.000 0.738 143 V HN 0.288 nan 8.190 nan 0.000 0.469 144 L N 0.610 121.786 121.223 -0.077 0.000 2.201 144 L HA 0.031 4.371 4.340 0.001 0.000 0.212 144 L C 2.514 179.362 176.870 -0.037 0.000 1.105 144 L CA 2.159 56.964 54.840 -0.059 0.000 0.775 144 L CB -0.662 41.361 42.059 -0.060 0.000 0.913 144 L HN 0.437 nan 8.230 nan 0.000 0.440 145 K N -1.292 119.087 120.400 -0.035 0.000 2.128 145 K HA -0.141 4.179 4.320 0.001 0.000 0.202 145 K C 2.082 178.676 176.600 -0.010 0.000 1.050 145 K CA 0.758 57.033 56.287 -0.020 0.000 0.966 145 K CB -0.030 32.458 32.500 -0.021 0.000 0.759 145 K HN 0.315 nan 8.250 nan 0.000 0.454 146 Q N 0.613 120.402 119.800 -0.017 0.000 2.112 146 Q HA -0.159 4.181 4.340 0.001 0.000 0.206 146 Q C 1.847 177.854 176.000 0.010 0.000 0.987 146 Q CA 1.820 57.619 55.803 -0.007 0.000 0.858 146 Q CB 0.093 28.816 28.738 -0.025 0.000 0.905 146 Q HN 0.186 nan 8.270 nan 0.000 0.420 147 V N 0.603 120.508 119.914 -0.016 0.000 2.719 147 V HA -0.201 3.919 4.120 0.001 0.000 0.252 147 V C 2.233 178.365 176.094 0.064 0.000 1.065 147 V CA 1.789 64.085 62.300 -0.008 0.000 1.086 147 V CB -0.374 31.409 31.823 -0.067 0.000 0.700 147 V HN 0.445 nan 8.190 nan 0.000 0.467 148 Q N -0.607 119.212 119.800 0.033 0.000 2.230 148 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 148 Q C 1.860 177.879 176.000 0.032 0.000 0.963 148 Q CA 1.271 57.093 55.803 0.032 0.000 0.866 148 Q CB 0.019 28.763 28.738 0.009 0.000 0.931 148 Q HN 0.623 nan 8.270 nan 0.000 0.452 149 D N -0.444 119.979 120.400 0.038 0.000 2.149 149 D HA -0.117 4.523 4.640 0.001 0.000 0.201 149 D C 1.556 177.864 176.300 0.014 0.000 0.972 149 D CA 0.677 54.686 54.000 0.015 0.000 0.835 149 D CB -0.027 40.784 40.800 0.019 0.000 0.966 149 D HN 0.250 nan 8.370 nan 0.000 0.476 150 F N 2.005 121.903 119.950 -0.087 0.000 2.134 150 F HA -0.169 4.358 4.527 0.000 0.000 0.299 150 F C 2.244 177.966 175.800 -0.131 0.000 1.097 150 F CA 1.272 59.208 58.000 -0.106 0.000 1.264 150 F CB 0.125 39.077 39.000 -0.080 0.000 1.001 150 F HN -0.214 nan 8.300 nan 0.000 0.479 151 E N 0.181 120.444 120.200 0.105 0.000 2.347 151 E HA -0.139 4.212 4.350 0.001 0.000 0.196 151 E C 1.306 177.825 176.600 -0.134 0.000 1.008 151 E CA 1.327 57.730 56.400 0.004 0.000 0.852 151 E CB -0.247 29.529 29.700 0.127 0.000 0.783 151 E HN 0.497 nan 8.360 nan 0.000 0.505 152 D N -1.266 119.043 120.400 -0.151 0.000 2.301 152 D HA 0.073 4.714 4.640 0.001 0.000 0.206 152 D C 1.142 177.248 176.300 -0.323 0.000 0.979 152 D CA 0.519 54.426 54.000 -0.155 0.000 0.874 152 D CB 0.336 41.090 40.800 -0.078 0.000 0.968 152 D HN 0.076 nan 8.370 nan 0.000 0.510 153 N N -0.460 117.972 118.700 -0.447 0.000 2.612 153 N HA -0.056 4.685 4.740 0.001 0.000 0.224 153 N C -0.020 174.967 175.510 -0.871 0.000 1.051 153 N CA 0.203 52.904 53.050 -0.582 0.000 0.889 153 N CB 0.145 38.466 38.487 -0.276 0.000 1.449 153 N HN -0.045 nan 8.380 nan 0.000 0.442 154 D N 1.438 121.390 120.400 -0.747 0.000 2.600 154 D HA 0.029 4.669 4.640 0.001 0.000 0.226 154 D C 0.805 176.615 176.300 -0.817 0.000 1.119 154 D CA -0.014 53.557 54.000 -0.716 0.000 1.051 154 D CB -0.318 40.077 40.800 -0.674 0.000 1.106 154 D HN 0.252 nan 8.370 nan 0.000 0.491 155 H N 1.170 119.853 119.070 -0.645 0.000 2.290 155 H HA -0.102 4.454 4.556 0.000 0.000 0.298 155 H C -0.669 174.330 175.328 -0.548 0.000 1.087 155 H CA 1.903 57.501 56.048 -0.749 0.000 1.291 155 H CB -0.978 27.943 29.762 -1.402 0.000 1.369 155 H HN 0.397 nan 8.280 nan 0.000 0.492 156 P HA -0.189 nan 4.420 nan 0.000 0.215 156 P C 0.747 178.034 177.300 -0.022 0.000 1.157 156 P CA 1.660 64.723 63.100 -0.061 0.000 0.874 156 P CB 0.122 31.856 31.700 0.056 0.000 0.790 157 N N -0.527 118.127 118.700 -0.076 0.000 2.331 157 N HA -0.105 4.635 4.740 0.001 0.000 0.180 157 N C 2.125 177.694 175.510 0.098 0.000 1.019 157 N CA 0.564 53.639 53.050 0.042 0.000 0.881 157 N CB -0.319 38.245 38.487 0.128 0.000 0.972 157 N HN 0.240 nan 8.380 nan 0.000 0.435 158 R N 1.126 121.542 120.500 -0.140 0.000 2.090 158 R HA 0.002 4.342 4.340 0.001 0.000 0.228 158 R C 1.848 178.285 176.300 0.229 0.000 1.110 158 R CA 0.791 56.898 56.100 0.012 0.000 0.973 158 R CB -0.077 30.070 30.300 -0.254 0.000 0.869 158 R HN -0.095 nan 8.270 nan 0.000 0.440 159 V N 1.406 121.386 119.914 0.111 0.000 2.427 159 V HA -0.208 3.912 4.120 0.001 0.000 0.248 159 V C 2.214 178.420 176.094 0.186 0.000 1.051 159 V CA 1.260 63.648 62.300 0.148 0.000 1.048 159 V CB -0.382 31.506 31.823 0.108 0.000 0.666 159 V HN 0.317 nan 8.190 nan 0.000 0.456 160 L N 0.180 121.498 121.223 0.158 0.000 2.093 160 L HA -0.105 4.236 4.340 0.001 0.000 0.208 160 L C 2.333 179.355 176.870 0.252 0.000 1.085 160 L CA 1.992 56.922 54.840 0.151 0.000 0.755 160 L CB -0.678 41.441 42.059 0.100 0.000 0.904 160 L HN 0.325 nan 8.230 nan 0.000 0.435 161 E N -1.070 119.279 120.200 0.248 0.000 2.077 161 E HA -0.234 4.116 4.350 0.001 0.000 0.193 161 E C 2.107 178.784 176.600 0.129 0.000 0.989 161 E CA 1.523 58.038 56.400 0.191 0.000 0.800 161 E CB -0.138 29.651 29.700 0.149 0.000 0.746 161 E HN 0.651 nan 8.360 nan 0.000 0.452 162 H N -0.708 118.444 119.070 0.137 0.000 2.495 162 H HA 0.029 4.585 4.556 0.000 0.000 0.287 162 H C 1.743 177.122 175.328 0.084 0.000 1.033 162 H CA 0.905 57.011 56.048 0.096 0.000 1.307 162 H CB 0.137 29.941 29.762 0.071 0.000 1.401 162 H HN 0.121 nan 8.280 nan 0.000 0.555 163 L N 0.243 121.583 121.223 0.195 0.000 2.056 163 L HA -0.209 4.131 4.340 0.001 0.000 0.207 163 L C 1.435 178.313 176.870 0.014 0.000 1.078 163 L CA 2.018 56.912 54.840 0.089 0.000 0.749 163 L CB -0.524 41.571 42.059 0.061 0.000 0.901 163 L HN 0.404 nan 8.230 nan 0.000 0.433 164 H N -1.316 117.801 119.070 0.079 0.000 2.357 164 H HA -0.129 4.427 4.556 0.000 0.000 0.301 164 H C 2.542 177.922 175.328 0.085 0.000 1.082 164 H CA 1.785 57.901 56.048 0.113 0.000 1.342 164 H CB 0.024 29.876 29.762 0.150 0.000 1.389 164 H HN 0.308 nan 8.280 nan 0.000 0.511 165 S N -0.860 114.945 115.700 0.175 0.000 2.387 165 S HA -0.241 4.229 4.470 0.001 0.000 0.230 165 S C 2.281 176.914 174.600 0.055 0.000 1.035 165 S CA 2.070 60.319 58.200 0.081 0.000 1.014 165 S CB -0.451 62.751 63.200 0.003 0.000 0.836 165 S HN 0.527 nan 8.310 nan 0.000 0.466 166 T N -0.250 114.320 114.554 0.027 0.000 3.039 166 T HA 0.402 4.752 4.350 0.001 0.000 0.250 166 T C 1.806 176.406 174.700 -0.167 0.000 1.052 166 T CA 0.938 63.013 62.100 -0.041 0.000 1.125 166 T CB -0.485 68.369 68.868 -0.024 0.000 0.908 166 T HN 0.440 nan 8.240 nan 0.000 0.473 167 A N -0.013 122.650 122.820 -0.262 0.000 1.969 167 A HA 0.198 4.518 4.320 0.001 0.000 0.218 167 A C 1.344 178.533 177.584 -0.658 0.000 1.169 167 A CA 1.008 52.666 52.037 -0.632 0.000 0.635 167 A CB -0.571 18.045 19.000 -0.639 0.000 0.810 167 A HN 0.641 nan 8.150 nan 0.000 0.445 168 F N 0.095 120.031 119.950 -0.023 0.000 2.735 168 F HA 0.158 4.685 4.527 0.000 0.000 0.308 168 F C 0.626 176.422 175.800 -0.006 0.000 1.112 168 F CA -0.724 57.290 58.000 0.023 0.000 1.235 168 F CB 0.125 39.183 39.000 0.097 0.000 1.027 168 F HN 0.296 nan 8.300 nan 0.000 0.528 169 Q N 0.723 120.578 119.800 0.090 0.000 2.342 169 Q HA -0.134 4.206 4.340 0.001 0.000 0.330 169 Q C 0.216 176.246 176.000 0.050 0.000 1.117 169 Q CA 0.454 56.286 55.803 0.047 0.000 1.010 169 Q CB -0.022 28.712 28.738 -0.006 0.000 1.204 169 Q HN 0.420 nan 8.270 nan 0.000 0.400 170 N N 0.755 119.473 118.700 0.030 0.000 2.727 170 N HA -0.179 4.561 4.740 0.001 0.000 0.249 170 N C -1.188 174.344 175.510 0.037 0.000 1.048 170 N CA 1.052 54.115 53.050 0.022 0.000 0.714 170 N CB -0.724 37.773 38.487 0.017 0.000 0.959 170 N HN 0.766 nan 8.380 nan 0.000 0.544 171 T N -1.617 112.963 114.554 0.045 0.000 2.885 171 T HA 0.261 4.612 4.350 0.001 0.000 0.322 171 T C -1.890 172.816 174.700 0.010 0.000 1.387 171 T CA -0.915 61.210 62.100 0.041 0.000 1.041 171 T CB 2.251 71.171 68.868 0.086 0.000 1.287 171 T HN -0.309 nan 8.240 nan 0.000 0.491 172 P HA -0.137 nan 4.420 nan 0.000 0.218 172 P C 1.561 178.804 177.300 -0.095 0.000 1.165 172 P CA 0.888 63.955 63.100 -0.055 0.000 0.922 172 P CB 0.092 31.755 31.700 -0.061 0.000 0.794 173 L N -0.306 120.819 121.223 -0.163 0.000 2.263 173 L HA -0.147 4.193 4.340 0.001 0.000 0.216 173 L C 2.172 179.035 176.870 -0.011 0.000 1.111 173 L CA 2.064 56.763 54.840 -0.234 0.000 0.773 173 L CB -1.826 39.847 42.059 -0.643 0.000 0.906 173 L HN 0.075 nan 8.230 nan 0.000 0.439 174 S N -1.754 113.995 115.700 0.083 0.000 2.603 174 S HA -0.022 4.448 4.470 0.001 0.000 0.229 174 S C 0.772 175.374 174.600 0.003 0.000 0.972 174 S CA -0.092 58.178 58.200 0.118 0.000 0.935 174 S CB -0.391 62.873 63.200 0.107 0.000 0.769 174 S HN 0.071 nan 8.310 nan 0.000 0.536 175 L N 3.812 124.997 121.223 -0.062 0.000 2.281 175 L HA 0.467 4.807 4.340 0.001 0.000 0.285 175 L C -2.204 174.578 176.870 -0.148 0.000 1.074 175 L CA -2.430 52.346 54.840 -0.107 0.000 0.817 175 L CB 0.272 42.263 42.059 -0.114 0.000 1.168 175 L HN 0.119 nan 8.230 nan 0.000 0.434 176 P HA 0.071 nan 4.420 nan 0.000 0.271 176 P C 0.845 178.019 177.300 -0.209 0.000 1.220 176 P CA -0.145 62.843 63.100 -0.187 0.000 0.768 176 P CB 0.548 32.136 31.700 -0.187 0.000 0.848 177 T N 2.756 117.169 114.554 -0.235 0.000 2.665 177 T HA -0.242 4.108 4.350 0.001 0.000 0.268 177 T C 1.521 176.086 174.700 -0.224 0.000 1.035 177 T CA 1.288 63.251 62.100 -0.229 0.000 1.151 177 T CB -0.660 68.068 68.868 -0.233 0.000 0.862 177 T HN 0.292 nan 8.240 nan 0.000 0.438 178 R N 1.898 122.229 120.500 -0.280 0.000 2.285 178 R HA 0.416 4.757 4.340 0.001 0.000 0.213 178 R C 1.515 177.691 176.300 -0.207 0.000 1.068 178 R CA 0.558 56.495 56.100 -0.272 0.000 1.004 178 R CB -1.070 28.981 30.300 -0.414 0.000 0.873 178 R HN 0.777 nan 8.270 nan 0.000 0.467 179 G N 0.131 108.813 108.800 -0.195 0.000 2.731 179 G HA2 -0.260 3.700 3.960 0.001 0.000 0.686 179 G HA3 -0.260 3.700 3.960 0.001 0.000 0.686 179 G C -0.007 174.814 174.900 -0.132 0.000 1.395 179 G CA -0.383 44.624 45.100 -0.154 0.000 0.870 179 G HN 0.335 nan 8.290 nan 0.000 0.591 180 T N -0.658 113.832 114.554 -0.107 0.000 2.802 180 T HA 0.389 4.739 4.350 0.001 0.000 0.305 180 T C 1.834 176.501 174.700 -0.055 0.000 1.053 180 T CA 0.335 62.389 62.100 -0.076 0.000 1.058 180 T CB 1.106 69.934 68.868 -0.066 0.000 0.988 180 T HN 1.266 nan 8.240 nan 0.000 0.539 181 L N 0.538 121.744 121.223 -0.030 0.000 2.313 181 L HA 0.060 4.401 4.340 0.001 0.000 0.214 181 L C 2.481 179.344 176.870 -0.011 0.000 1.119 181 L CA 1.194 56.023 54.840 -0.019 0.000 0.809 181 L CB -0.200 41.860 42.059 0.001 0.000 0.933 181 L HN 0.813 nan 8.230 nan 0.000 0.449 182 E N -0.908 119.290 120.200 -0.004 0.000 2.045 182 E HA -0.130 4.220 4.350 0.001 0.000 0.190 182 E C 2.172 178.783 176.600 0.018 0.000 0.968 182 E CA 1.127 57.534 56.400 0.012 0.000 0.813 182 E CB -0.087 29.628 29.700 0.025 0.000 0.780 182 E HN 0.407 nan 8.360 nan 0.000 0.455 183 S N 0.684 116.391 115.700 0.013 0.000 2.440 183 S HA -0.149 4.321 4.470 0.001 0.000 0.238 183 S C 1.880 176.483 174.600 0.006 0.000 1.010 183 S CA 0.698 58.913 58.200 0.026 0.000 0.972 183 S CB -0.192 63.005 63.200 -0.004 0.000 0.774 183 S HN 0.041 nan 8.310 nan 0.000 0.501 184 L N 2.575 123.788 121.223 -0.017 0.000 2.044 184 L HA 0.031 4.371 4.340 0.001 0.000 0.205 184 L C 2.600 179.460 176.870 -0.016 0.000 1.075 184 L CA 1.991 56.812 54.840 -0.032 0.000 0.747 184 L CB -0.699 41.328 42.059 -0.055 0.000 0.903 184 L HN 0.597 nan 8.230 nan 0.000 0.435 185 E N -1.800 118.396 120.200 -0.007 0.000 2.511 185 E HA -0.134 4.216 4.350 0.001 0.000 0.196 185 E C 1.337 177.951 176.600 0.024 0.000 1.066 185 E CA 0.446 56.847 56.400 0.002 0.000 0.871 185 E CB -0.488 29.211 29.700 -0.002 0.000 0.863 185 E HN 0.539 nan 8.360 nan 0.000 0.520 186 N N 0.474 119.193 118.700 0.032 0.000 2.294 186 N HA 0.015 4.755 4.740 0.001 0.000 0.186 186 N C -0.247 175.293 175.510 0.050 0.000 1.107 186 N CA -0.255 52.819 53.050 0.039 0.000 0.884 186 N CB 0.391 38.905 38.487 0.045 0.000 1.030 186 N HN 0.072 nan 8.380 nan 0.000 0.482 187 L N 2.415 123.674 121.223 0.061 0.000 2.410 187 L HA 0.147 4.488 4.340 0.001 0.000 0.273 187 L C 0.197 177.164 176.870 0.162 0.000 1.152 187 L CA 0.081 54.973 54.840 0.086 0.000 0.855 187 L CB 0.996 43.101 42.059 0.077 0.000 1.129 187 L HN -0.050 nan 8.230 nan 0.000 0.463 188 V N 1.784 121.737 119.914 0.065 0.000 3.074 188 V HA 0.482 4.602 4.120 0.001 0.000 0.314 188 V C 1.030 176.912 176.094 -0.354 0.000 1.117 188 V CA -0.877 61.371 62.300 -0.088 0.000 1.014 188 V CB 1.439 33.200 31.823 -0.104 0.000 1.057 188 V HN 0.435 nan 8.190 nan 0.000 0.438 189 V N 1.173 120.566 119.914 -0.868 0.000 2.311 189 V HA -0.343 3.778 4.120 0.001 0.000 0.256 189 V C 2.986 178.877 176.094 -0.339 0.000 1.077 189 V CA 3.212 65.029 62.300 -0.806 0.000 1.067 189 V CB -1.693 29.712 31.823 -0.696 0.000 0.659 189 V HN 1.258 nan 8.190 nan 0.000 0.451 190 A N -0.128 122.559 122.820 -0.222 0.000 1.892 190 A HA -0.323 3.998 4.320 0.001 0.000 0.218 190 A C 2.067 179.627 177.584 -0.040 0.000 1.188 190 A CA 2.288 54.264 52.037 -0.102 0.000 0.631 190 A CB -0.730 18.224 19.000 -0.076 0.000 0.822 190 A HN 0.606 nan 8.150 nan 0.000 0.447 191 D N -0.132 120.247 120.400 -0.035 0.000 2.123 191 D HA -0.135 4.505 4.640 0.001 0.000 0.196 191 D C 1.994 178.346 176.300 0.088 0.000 0.992 191 D CA 1.004 55.024 54.000 0.034 0.000 0.833 191 D CB -0.259 40.559 40.800 0.030 0.000 0.954 191 D HN 0.274 nan 8.370 nan 0.000 0.455 192 L N 1.394 122.618 121.223 0.002 0.000 2.012 192 L HA -0.176 4.164 4.340 0.001 0.000 0.210 192 L C 2.358 179.435 176.870 0.344 0.000 1.073 192 L CA 1.620 56.467 54.840 0.012 0.000 0.748 192 L CB -0.988 40.807 42.059 -0.440 0.000 0.891 192 L HN 0.132 nan 8.230 nan 0.000 0.431 193 E N -0.449 119.856 120.200 0.176 0.000 2.031 193 E HA -0.176 4.175 4.350 0.001 0.000 0.193 193 E C 2.212 178.905 176.600 0.155 0.000 0.994 193 E CA 1.529 58.054 56.400 0.209 0.000 0.800 193 E CB -0.087 29.660 29.700 0.079 0.000 0.752 193 E HN 0.392 nan 8.360 nan 0.000 0.447 194 S N 0.863 116.630 115.700 0.112 0.000 2.374 194 S HA -0.195 4.275 4.470 0.001 0.000 0.227 194 S C 1.675 176.318 174.600 0.072 0.000 1.037 194 S CA 1.202 59.445 58.200 0.072 0.000 1.024 194 S CB -0.412 62.833 63.200 0.075 0.000 0.861 194 S HN 0.258 nan 8.310 nan 0.000 0.456 195 F N 2.197 122.163 119.950 0.026 0.000 2.075 195 F HA -0.109 4.418 4.527 0.000 0.000 0.297 195 F C 2.440 178.068 175.800 -0.286 0.000 1.113 195 F CA 1.105 59.099 58.000 -0.009 0.000 1.218 195 F CB -0.647 38.400 39.000 0.079 0.000 0.984 195 F HN 0.182 nan 8.300 nan 0.000 0.472 196 A N 0.515 123.194 122.820 -0.235 0.000 1.892 196 A HA -0.266 4.054 4.320 0.001 0.000 0.218 196 A C 2.041 179.374 177.584 -0.418 0.000 1.188 196 A CA 2.116 53.703 52.037 -0.751 0.000 0.631 196 A CB -1.076 17.796 19.000 -0.213 0.000 0.822 196 A HN 0.514 nan 8.150 nan 0.000 0.447 197 N N 0.319 118.908 118.700 -0.184 0.000 2.223 197 N HA -0.104 4.636 4.740 0.001 0.000 0.185 197 N C 1.367 176.740 175.510 -0.228 0.000 1.016 197 N CA 1.299 54.267 53.050 -0.137 0.000 0.863 197 N CB -0.515 37.932 38.487 -0.066 0.000 0.983 197 N HN 0.608 nan 8.380 nan 0.000 0.429 198 N N -0.638 117.849 118.700 -0.355 0.000 2.395 198 N HA -0.010 4.731 4.740 0.001 0.000 0.175 198 N C 0.817 175.841 175.510 -0.809 0.000 1.029 198 N CA 0.541 53.279 53.050 -0.521 0.000 0.897 198 N CB 0.293 38.452 38.487 -0.548 0.000 0.991 198 N HN 0.395 nan 8.380 nan 0.000 0.441 199 H N -0.646 118.059 119.070 -0.608 0.000 2.521 199 H HA 0.173 4.729 4.556 0.000 0.000 0.267 199 H C 0.127 175.246 175.328 -0.348 0.000 0.963 199 H CA -0.108 55.592 56.048 -0.580 0.000 1.175 199 H CB 0.131 29.290 29.762 -1.005 0.000 1.450 199 H HN 0.032 nan 8.280 nan 0.000 0.472 200 F N 2.982 122.619 119.950 -0.522 0.000 2.662 200 F HA 0.160 4.688 4.527 0.001 0.000 0.343 200 F C 0.142 175.812 175.800 -0.217 0.000 1.302 200 F CA -0.155 57.367 58.000 -0.797 0.000 1.142 200 F CB -0.311 38.151 39.000 -0.897 0.000 1.524 200 F HN -0.159 nan 8.300 nan 0.000 0.668 201 L N 0.992 122.304 121.223 0.149 0.000 2.283 201 L HA 0.341 4.681 4.340 0.001 0.000 0.259 201 L C 0.968 177.931 176.870 0.155 0.000 1.027 201 L CA -0.916 53.992 54.840 0.112 0.000 0.828 201 L CB 1.478 43.549 42.059 0.020 0.000 1.380 201 L HN 0.133 nan 8.230 nan 0.000 0.425 202 N N 0.316 119.066 118.700 0.082 0.000 2.120 202 N HA -0.185 4.555 4.740 0.001 0.000 0.188 202 N C 1.731 177.266 175.510 0.041 0.000 1.024 202 N CA 1.957 55.037 53.050 0.051 0.000 0.852 202 N CB 0.137 38.639 38.487 0.025 0.000 1.003 202 N HN 0.690 nan 8.380 nan 0.000 0.424 203 S N -1.232 114.491 115.700 0.038 0.000 2.428 203 S HA -0.063 4.407 4.470 0.001 0.000 0.230 203 S C 1.319 175.948 174.600 0.049 0.000 1.014 203 S CA 0.891 59.108 58.200 0.030 0.000 0.957 203 S CB -0.370 62.841 63.200 0.018 0.000 0.784 203 S HN 0.397 nan 8.310 nan 0.000 0.499 204 N N 1.559 120.312 118.700 0.088 0.000 2.451 204 N HA 0.540 5.280 4.740 0.001 0.000 0.264 204 N C -0.609 175.023 175.510 0.203 0.000 1.167 204 N CA 0.106 53.237 53.050 0.134 0.000 0.898 204 N CB 0.498 39.076 38.487 0.152 0.000 1.176 204 N HN 0.566 nan 8.380 nan 0.000 0.507 205 A N -0.733 122.146 122.820 0.099 0.000 2.556 205 A HA 0.777 5.097 4.320 0.001 0.000 0.294 205 A C -1.505 176.007 177.584 -0.119 0.000 1.091 205 A CA -0.563 51.459 52.037 -0.025 0.000 0.704 205 A CB 1.694 20.656 19.000 -0.062 0.000 1.300 205 A HN 0.018 nan 8.150 nan 0.000 0.406 206 V N 0.750 120.526 119.914 -0.230 0.000 2.711 206 V HA 0.496 4.616 4.120 0.001 0.000 0.304 206 V C -0.757 175.182 176.094 -0.259 0.000 1.097 206 V CA -0.600 61.584 62.300 -0.194 0.000 0.906 206 V CB 1.579 33.310 31.823 -0.154 0.000 1.015 206 V HN 1.099 nan 8.190 nan 0.000 0.427 207 V N 6.855 126.647 119.914 -0.204 0.000 2.427 207 V HA 0.784 4.904 4.120 0.001 0.000 0.286 207 V C -0.497 175.518 176.094 -0.132 0.000 1.034 207 V CA 0.123 62.305 62.300 -0.196 0.000 0.893 207 V CB 1.784 33.508 31.823 -0.165 0.000 0.982 207 V HN 0.662 nan 8.190 nan 0.000 0.452 208 V N 5.057 124.896 119.914 -0.126 0.000 2.960 208 V HA 0.922 5.042 4.120 0.001 0.000 0.315 208 V C 0.416 176.479 176.094 -0.053 0.000 1.087 208 V CA -0.149 62.099 62.300 -0.088 0.000 0.982 208 V CB 2.016 33.770 31.823 -0.115 0.000 1.039 208 V HN 1.087 nan 8.190 nan 0.000 0.437 209 G N 0.795 109.580 108.800 -0.026 0.000 2.719 209 G HA2 0.646 4.607 3.960 0.001 0.000 0.284 209 G HA3 0.646 4.607 3.960 0.001 0.000 0.284 209 G C -0.593 174.314 174.900 0.011 0.000 1.488 209 G CA 0.014 45.111 45.100 -0.005 0.000 1.139 209 G HN 0.894 nan 8.290 nan 0.000 0.552 210 T N -0.772 113.787 114.554 0.008 0.000 2.883 210 T HA 0.942 5.292 4.350 0.001 0.000 0.284 210 T C 0.903 175.621 174.700 0.029 0.000 1.041 210 T CA 0.237 62.347 62.100 0.016 0.000 1.007 210 T CB 1.946 70.809 68.868 -0.007 0.000 1.220 210 T HN 2.282 nan 8.240 nan 0.000 0.552 211 G N 1.737 110.554 108.800 0.028 0.000 2.846 211 G HA2 -0.163 3.797 3.960 0.001 0.000 0.225 211 G HA3 -0.163 3.797 3.960 0.001 0.000 0.225 211 G C 0.218 175.138 174.900 0.034 0.000 1.285 211 G CA 0.456 45.572 45.100 0.027 0.000 1.055 211 G HN 1.387 nan 8.290 nan 0.000 0.579 212 N N 0.887 119.612 118.700 0.041 0.000 2.171 212 N HA 0.235 4.975 4.740 0.001 0.000 0.212 212 N C 0.909 176.464 175.510 0.074 0.000 1.184 212 N CA 0.748 53.834 53.050 0.059 0.000 0.888 212 N CB -0.012 38.490 38.487 0.025 0.000 1.038 212 N HN 1.328 nan 8.380 nan 0.000 0.517 213 I N -0.509 120.089 120.570 0.046 0.000 2.533 213 I HA 0.258 4.428 4.170 0.001 0.000 0.284 213 I C 0.340 176.403 176.117 -0.090 0.000 1.109 213 I CA -0.701 60.595 61.300 -0.007 0.000 1.412 213 I CB 0.408 38.402 38.000 -0.010 0.000 1.396 213 I HN -0.183 nan 8.210 nan 0.000 0.543 214 K N 3.401 123.679 120.400 -0.204 0.000 2.286 214 K HA -0.018 4.303 4.320 0.001 0.000 0.256 214 K C 0.755 177.151 176.600 -0.341 0.000 0.999 214 K CA -0.074 55.911 56.287 -0.503 0.000 0.908 214 K CB 0.321 32.643 32.500 -0.298 0.000 0.981 214 K HN 0.728 nan 8.250 nan 0.000 0.500 215 H N 1.660 120.436 119.070 -0.490 0.000 2.299 215 H HA -0.082 4.475 4.556 0.000 0.000 0.302 215 H C 1.131 176.378 175.328 -0.136 0.000 1.078 215 H CA 2.006 57.924 56.048 -0.217 0.000 1.323 215 H CB 0.240 29.926 29.762 -0.126 0.000 1.381 215 H HN 0.669 nan 8.280 nan 0.000 0.498 216 E N -0.456 119.613 120.200 -0.218 0.000 2.265 216 E HA -0.139 4.212 4.350 0.001 0.000 0.196 216 E C 1.431 177.925 176.600 -0.177 0.000 0.996 216 E CA 1.150 57.416 56.400 -0.222 0.000 0.832 216 E CB 0.069 29.704 29.700 -0.108 0.000 0.756 216 E HN 0.561 nan 8.360 nan 0.000 0.491 217 D N -0.294 120.015 120.400 -0.152 0.000 2.123 217 D HA -0.101 4.539 4.640 0.001 0.000 0.200 217 D C 1.596 177.832 176.300 -0.107 0.000 0.976 217 D CA 0.475 54.410 54.000 -0.108 0.000 0.831 217 D CB 0.099 40.846 40.800 -0.089 0.000 0.974 217 D HN 0.044 nan 8.370 nan 0.000 0.469 218 L N -0.028 121.116 121.223 -0.131 0.000 2.034 218 L HA -0.012 4.328 4.340 0.001 0.000 0.203 218 L C 2.234 179.025 176.870 -0.132 0.000 1.074 218 L CA 1.066 55.841 54.840 -0.108 0.000 0.748 218 L CB -0.774 41.234 42.059 -0.085 0.000 0.905 218 L HN -0.037 nan 8.230 nan 0.000 0.439 219 V N 0.478 120.261 119.914 -0.219 0.000 2.370 219 V HA -0.348 3.772 4.120 0.001 0.000 0.252 219 V C 2.285 178.300 176.094 -0.133 0.000 1.068 219 V CA 2.437 64.613 62.300 -0.207 0.000 1.061 219 V CB -0.569 31.047 31.823 -0.344 0.000 0.656 219 V HN 0.636 nan 8.190 nan 0.000 0.455 220 N N -0.329 118.297 118.700 -0.124 0.000 2.251 220 N HA -0.040 4.700 4.740 0.001 0.000 0.181 220 N C 1.984 177.459 175.510 -0.059 0.000 1.019 220 N CA 1.572 54.572 53.050 -0.082 0.000 0.862 220 N CB -0.358 38.083 38.487 -0.076 0.000 0.992 220 N HN 0.448 nan 8.380 nan 0.000 0.429 221 S N 1.081 116.746 115.700 -0.058 0.000 2.419 221 S HA 0.043 4.513 4.470 0.001 0.000 0.233 221 S C 2.002 176.583 174.600 -0.031 0.000 1.016 221 S CA 0.573 58.751 58.200 -0.037 0.000 0.974 221 S CB -0.053 63.128 63.200 -0.032 0.000 0.786 221 S HN 0.277 nan 8.310 nan 0.000 0.492 222 I N 0.822 121.367 120.570 -0.043 0.000 2.400 222 I HA -0.053 4.117 4.170 0.001 0.000 0.248 222 I C 2.424 178.521 176.117 -0.033 0.000 1.109 222 I CA 0.946 62.224 61.300 -0.037 0.000 1.425 222 I CB -0.191 37.780 38.000 -0.050 0.000 1.094 222 I HN 0.253 nan 8.210 nan 0.000 0.425 223 E N 0.396 120.572 120.200 -0.040 0.000 2.516 223 E HA -0.155 4.195 4.350 0.001 0.000 0.199 223 E C 2.056 178.641 176.600 -0.025 0.000 1.069 223 E CA 0.350 56.730 56.400 -0.033 0.000 0.876 223 E CB 0.179 29.855 29.700 -0.040 0.000 0.843 223 E HN 0.289 nan 8.360 nan 0.000 0.530 224 S N 0.457 116.143 115.700 -0.023 0.000 2.335 224 S HA -0.093 4.378 4.470 0.001 0.000 0.216 224 S C 0.373 174.967 174.600 -0.010 0.000 1.032 224 S CA 0.918 59.109 58.200 -0.016 0.000 1.000 224 S CB 0.086 63.278 63.200 -0.014 0.000 0.928 224 S HN 0.020 nan 8.310 nan 0.000 0.434 225 K N 2.901 123.296 120.400 -0.007 0.000 2.284 225 K HA 0.318 4.638 4.320 0.001 0.000 0.287 225 K C 0.554 177.151 176.600 -0.005 0.000 1.081 225 K CA -0.212 56.074 56.287 -0.003 0.000 0.910 225 K CB 0.498 32.999 32.500 0.003 0.000 1.088 225 K HN 0.274 nan 8.250 nan 0.000 0.478 226 N N 1.896 120.593 118.700 -0.004 0.000 2.125 226 N HA 0.062 4.802 4.740 0.001 0.000 0.241 226 N C 0.290 175.799 175.510 -0.002 0.000 1.273 226 N CA 0.252 53.299 53.050 -0.005 0.000 0.947 226 N CB 0.047 38.531 38.487 -0.005 0.000 1.036 226 N HN 0.317 nan 8.380 nan 0.000 0.409 227 L N -1.777 119.446 121.223 -0.000 0.000 1.535 227 L HA -0.299 4.041 4.340 0.001 0.000 0.352 227 L C 0.359 177.231 176.870 0.003 0.000 1.047 227 L CA 0.961 55.802 54.840 0.003 0.000 1.223 227 L CB -1.187 40.877 42.059 0.007 0.000 0.517 227 L HN 0.613 nan 8.230 nan 0.000 0.233 228 S N -0.899 114.805 115.700 0.007 0.000 3.608 228 S HA 0.470 4.941 4.470 0.001 0.000 0.234 228 S C -0.350 174.260 174.600 0.016 0.000 1.077 228 S CA 0.424 58.628 58.200 0.008 0.000 0.827 228 S CB 0.531 63.734 63.200 0.005 0.000 0.964 228 S HN 1.233 nan 8.310 nan 0.000 0.547 229 L N 2.722 123.957 121.223 0.019 0.000 2.719 229 L HA -0.164 4.177 4.340 0.001 0.000 0.708 229 L C -0.732 176.155 176.870 0.028 0.000 1.102 229 L CA 0.675 55.532 54.840 0.029 0.000 1.378 229 L CB -1.728 40.357 42.059 0.044 0.000 2.051 229 L HN 0.809 nan 8.230 nan 0.000 0.945 230 Q N 0.462 120.272 119.800 0.016 0.000 2.493 230 Q HA -0.180 4.160 4.340 0.001 0.000 0.278 230 Q C 0.565 176.567 176.000 0.004 0.000 1.216 230 Q CA 1.397 57.204 55.803 0.007 0.000 0.875 230 Q CB -0.914 27.827 28.738 0.005 0.000 1.262 230 Q HN 0.826 nan 8.270 nan 0.000 0.468 231 T N -2.095 112.462 114.554 0.005 0.000 2.813 231 T HA 0.386 4.737 4.350 0.001 0.000 0.297 231 T C 1.437 176.135 174.700 -0.003 0.000 1.036 231 T CA 1.505 63.607 62.100 0.003 0.000 1.044 231 T CB 0.842 69.711 68.868 0.003 0.000 0.993 231 T HN 0.869 nan 8.240 nan 0.000 0.535 232 G N 2.059 110.857 108.800 -0.003 0.000 2.189 232 G HA2 -0.243 3.717 3.960 0.001 0.000 0.267 232 G HA3 -0.243 3.717 3.960 0.001 0.000 0.267 232 G C 0.284 175.177 174.900 -0.013 0.000 0.975 232 G CA 0.583 45.679 45.100 -0.007 0.000 0.644 232 G HN 0.992 nan 8.290 nan 0.000 0.537 233 T N 1.572 116.116 114.554 -0.016 0.000 2.771 233 T HA 0.540 4.890 4.350 0.001 0.000 0.291 233 T C 0.285 174.964 174.700 -0.035 0.000 0.954 233 T CA 0.118 62.200 62.100 -0.030 0.000 1.045 233 T CB 1.496 70.340 68.868 -0.040 0.000 0.917 233 T HN 0.720 nan 8.240 nan 0.000 0.484 234 K N 3.136 123.510 120.400 -0.044 0.000 2.156 234 K HA 0.673 4.993 4.320 0.001 0.000 0.254 234 K C -2.748 173.802 176.600 -0.084 0.000 0.950 234 K CA -2.026 54.234 56.287 -0.044 0.000 0.849 234 K CB 1.030 33.514 32.500 -0.026 0.000 1.100 234 K HN 0.254 nan 8.250 nan 0.000 0.434 235 P HA 0.052 nan 4.420 nan 0.000 0.276 235 P C -0.321 176.907 177.300 -0.119 0.000 1.244 235 P CA -0.615 62.370 63.100 -0.192 0.000 0.801 235 P CB 0.853 32.459 31.700 -0.157 0.000 1.006 236 V N 3.017 122.838 119.914 -0.156 0.000 2.529 236 V HA -0.020 4.101 4.120 0.001 0.000 0.292 236 V C 1.210 177.311 176.094 0.011 0.000 1.028 236 V CA -0.087 62.178 62.300 -0.059 0.000 1.074 236 V CB -0.687 31.104 31.823 -0.054 0.000 0.958 236 V HN 0.397 nan 8.190 nan 0.000 0.481 237 L N 3.918 125.150 121.223 0.016 0.000 2.505 237 L HA 0.633 4.973 4.340 0.001 0.000 0.226 237 L C 0.291 177.184 176.870 0.039 0.000 1.211 237 L CA -0.603 54.257 54.840 0.033 0.000 0.828 237 L CB 0.224 42.298 42.059 0.024 0.000 1.331 237 L HN 0.564 nan 8.230 nan 0.000 0.513 238 K N -0.969 119.453 120.400 0.037 0.000 1.730 238 K HA 0.538 4.859 4.320 0.001 0.000 0.299 238 K C -1.168 175.450 176.600 0.030 0.000 0.885 238 K CA -1.009 55.300 56.287 0.036 0.000 0.489 238 K CB 0.360 32.883 32.500 0.039 0.000 3.192 238 K HN 0.166 nan 8.250 nan 0.000 1.133 239 K N 2.195 122.611 120.400 0.027 0.000 2.507 239 K HA 0.292 4.612 4.320 0.001 0.000 0.252 239 K C -1.632 174.981 176.600 0.023 0.000 0.943 239 K CA -0.779 55.524 56.287 0.027 0.000 0.808 239 K CB 1.699 34.217 32.500 0.029 0.000 1.142 239 K HN 0.336 nan 8.250 nan 0.000 0.426 240 K N 1.062 121.477 120.400 0.026 0.000 2.504 240 K HA 0.107 4.428 4.320 0.001 0.000 0.278 240 K C 0.362 176.974 176.600 0.021 0.000 1.025 240 K CA 0.060 56.361 56.287 0.023 0.000 1.093 240 K CB -0.229 32.292 32.500 0.036 0.000 0.873 240 K HN 0.575 nan 8.250 nan 0.000 0.483 241 A N 2.194 125.005 122.820 -0.015 0.000 2.498 241 A HA 0.469 4.790 4.320 0.001 0.000 0.239 241 A C 0.096 177.707 177.584 0.044 0.000 1.068 241 A CA 0.284 52.293 52.037 -0.047 0.000 0.766 241 A CB 0.030 18.892 19.000 -0.229 0.000 1.003 241 A HN 0.851 nan 8.150 nan 0.000 0.497 242 A N 1.322 124.234 122.820 0.153 0.000 2.539 242 A HA 0.677 4.998 4.320 0.001 0.000 0.296 242 A C -0.834 177.064 177.584 0.523 0.000 1.073 242 A CA -0.501 51.709 52.037 0.288 0.000 0.700 242 A CB 0.829 19.945 19.000 0.194 0.000 1.296 242 A HN 1.177 nan 8.150 nan 0.000 0.405 243 F N 1.053 121.227 119.950 0.374 0.000 2.375 243 F HA 0.708 5.236 4.527 0.001 0.000 0.333 243 F C -0.573 175.311 175.800 0.139 0.000 1.104 243 F CA -0.614 57.554 58.000 0.281 0.000 1.149 243 F CB 1.344 40.483 39.000 0.231 0.000 1.190 243 F HN 0.499 nan 8.300 nan 0.000 0.533 244 L N 4.411 125.282 121.223 -0.587 0.000 2.476 244 L HA 0.536 4.877 4.340 0.001 0.000 0.269 244 L C -0.466 176.066 176.870 -0.563 0.000 0.965 244 L CA -0.314 54.314 54.840 -0.353 0.000 0.845 244 L CB 1.734 43.678 42.059 -0.193 0.000 1.259 244 L HN 0.701 nan 8.230 nan 0.000 0.403 245 G N 3.198 111.876 108.800 -0.203 0.000 2.327 245 G HA2 0.445 4.406 3.960 0.001 0.000 0.278 245 G HA3 0.445 4.406 3.960 0.001 0.000 0.278 245 G C -0.222 174.523 174.900 -0.259 0.000 1.145 245 G CA 0.704 45.772 45.100 -0.054 0.000 1.097 245 G HN 0.953 nan 8.290 nan 0.000 0.430 246 S N 1.202 116.746 115.700 -0.261 0.000 2.672 246 S HA 0.797 5.267 4.470 0.001 0.000 0.271 246 S C -0.931 173.585 174.600 -0.140 0.000 1.171 246 S CA -0.958 57.042 58.200 -0.333 0.000 0.817 246 S CB 2.237 65.287 63.200 -0.250 0.000 1.150 246 S HN 0.947 nan 8.310 nan 0.000 0.478 247 E N -0.961 119.168 120.200 -0.119 0.000 2.390 247 E HA 0.730 5.081 4.350 0.001 0.000 0.277 247 E C -1.885 174.716 176.600 0.001 0.000 0.939 247 E CA -1.231 55.180 56.400 0.018 0.000 0.769 247 E CB 2.175 31.947 29.700 0.120 0.000 1.251 247 E HN 0.769 nan 8.360 nan 0.000 0.450 248 V N 2.163 122.095 119.914 0.030 0.000 2.569 248 V HA 0.553 4.674 4.120 0.001 0.000 0.301 248 V C -1.566 174.532 176.094 0.007 0.000 1.044 248 V CA -0.530 61.781 62.300 0.018 0.000 0.874 248 V CB 1.476 33.326 31.823 0.045 0.000 1.002 248 V HN 0.744 nan 8.190 nan 0.000 0.424 249 R N 7.076 127.572 120.500 -0.006 0.000 2.310 249 R HA 0.516 4.856 4.340 0.001 0.000 0.316 249 R C -0.883 175.397 176.300 -0.034 0.000 1.004 249 R CA -0.527 55.566 56.100 -0.010 0.000 0.900 249 R CB 1.324 31.628 30.300 0.006 0.000 1.152 249 R HN 0.702 nan 8.270 nan 0.000 0.513 250 L N 2.925 124.109 121.223 -0.065 0.000 2.466 250 L HA 0.336 4.676 4.340 0.001 0.000 0.248 250 L C 0.673 177.524 176.870 -0.032 0.000 1.240 250 L CA -0.403 54.389 54.840 -0.080 0.000 1.180 250 L CB -0.257 41.698 42.059 -0.172 0.000 1.413 250 L HN 0.316 nan 8.230 nan 0.000 0.406 251 R N 2.149 122.641 120.500 -0.013 0.000 2.404 251 R HA 0.028 4.369 4.340 0.001 0.000 0.315 251 R C -0.826 175.477 176.300 0.006 0.000 1.032 251 R CA 0.219 56.321 56.100 0.002 0.000 0.992 251 R CB 0.435 30.736 30.300 0.000 0.000 0.959 251 R HN 0.353 nan 8.270 nan 0.000 0.428 252 D N 3.482 123.893 120.400 0.018 0.000 2.421 252 D HA 0.114 4.754 4.640 0.001 0.000 0.254 252 D C -0.332 175.983 176.300 0.025 0.000 1.238 252 D CA -0.535 53.476 54.000 0.019 0.000 0.919 252 D CB 1.234 42.045 40.800 0.019 0.000 1.152 252 D HN 0.409 nan 8.370 nan 0.000 0.552 253 D N 1.063 121.472 120.400 0.016 0.000 2.310 253 D HA -0.106 4.535 4.640 0.001 0.000 0.212 253 D C 1.946 178.256 176.300 0.016 0.000 0.965 253 D CA 1.073 55.081 54.000 0.012 0.000 0.879 253 D CB 0.168 40.972 40.800 0.005 0.000 0.921 253 D HN 0.547 nan 8.370 nan 0.000 0.510 254 T N -2.098 112.469 114.554 0.021 0.000 3.088 254 T HA 0.065 4.415 4.350 0.001 0.000 0.259 254 T C 1.030 175.752 174.700 0.037 0.000 1.122 254 T CA -0.086 62.029 62.100 0.025 0.000 1.095 254 T CB -0.107 68.776 68.868 0.024 0.000 0.930 254 T HN -0.001 nan 8.240 nan 0.000 0.508 255 L N 2.813 124.064 121.223 0.047 0.000 2.397 255 L HA 0.292 4.632 4.340 0.001 0.000 0.271 255 L C -0.867 176.050 176.870 0.079 0.000 1.148 255 L CA -2.015 52.875 54.840 0.083 0.000 0.825 255 L CB 1.063 43.188 42.059 0.111 0.000 1.117 255 L HN -0.003 nan 8.230 nan 0.000 0.456 256 P HA -0.013 nan 4.420 nan 0.000 0.231 256 P C -0.086 177.158 177.300 -0.093 0.000 1.168 256 P CA 1.033 64.147 63.100 0.024 0.000 0.779 256 P CB 0.567 32.302 31.700 0.057 0.000 0.844 257 K N -0.689 119.557 120.400 -0.257 0.000 2.208 257 K HA 0.747 5.067 4.320 0.001 0.000 0.241 257 K C -0.907 175.245 176.600 -0.747 0.000 1.087 257 K CA -1.027 54.842 56.287 -0.697 0.000 0.883 257 K CB 1.884 33.601 32.500 -1.305 0.000 1.360 257 K HN -0.265 nan 8.250 nan 0.000 0.496 258 A N 1.208 123.553 122.820 -0.793 0.000 2.410 258 A HA 0.432 4.752 4.320 0.001 0.000 0.289 258 A C -1.618 175.743 177.584 -0.371 0.000 1.200 258 A CA -0.678 51.151 52.037 -0.347 0.000 0.751 258 A CB 0.443 19.334 19.000 -0.181 0.000 1.161 258 A HN 0.533 nan 8.150 nan 0.000 0.459 259 W N 3.091 124.356 121.300 -0.058 0.000 2.417 259 W HA 0.613 5.273 4.660 0.000 0.000 0.317 259 W C -0.159 176.333 176.519 -0.045 0.000 1.121 259 W CA -0.462 56.861 57.345 -0.037 0.000 1.208 259 W CB 1.516 30.969 29.460 -0.012 0.000 1.253 259 W HN 0.728 nan 8.180 nan 0.000 0.533 260 I N 0.055 120.699 120.570 0.123 0.000 2.752 260 I HA 0.637 4.808 4.170 0.001 0.000 0.295 260 I C -0.997 175.083 176.117 -0.062 0.000 1.219 260 I CA -0.454 60.865 61.300 0.032 0.000 1.030 260 I CB 2.376 40.361 38.000 -0.026 0.000 1.259 260 I HN 0.031 nan 8.210 nan 0.000 0.423 261 S N 5.890 121.589 115.700 -0.002 0.000 2.568 261 S HA 0.850 5.320 4.470 0.001 0.000 0.293 261 S C -1.073 173.585 174.600 0.097 0.000 1.089 261 S CA -0.716 57.496 58.200 0.020 0.000 0.945 261 S CB 2.045 65.331 63.200 0.143 0.000 1.077 261 S HN 0.733 nan 8.310 nan 0.000 0.485 262 L N 1.745 123.090 121.223 0.203 0.000 2.513 262 L HA 0.864 5.205 4.340 0.001 0.000 0.261 262 L C -1.293 175.861 176.870 0.472 0.000 0.945 262 L CA -0.180 54.861 54.840 0.335 0.000 0.848 262 L CB 1.465 43.753 42.059 0.382 0.000 1.334 262 L HN 0.886 nan 8.230 nan 0.000 0.407 263 A N 3.225 126.304 122.820 0.431 0.000 2.581 263 A HA 0.833 5.153 4.320 0.001 0.000 0.290 263 A C -1.423 176.395 177.584 0.391 0.000 1.119 263 A CA -0.044 52.242 52.037 0.415 0.000 0.670 263 A CB 1.694 20.965 19.000 0.452 0.000 1.280 263 A HN 1.147 nan 8.150 nan 0.000 0.425 264 V N -1.827 118.234 119.914 0.246 0.000 3.166 264 V HA 0.781 4.902 4.120 0.001 0.000 0.317 264 V C 0.067 175.902 176.094 -0.432 0.000 1.136 264 V CA -0.611 61.659 62.300 -0.049 0.000 1.035 264 V CB 1.429 33.203 31.823 -0.082 0.000 1.110 264 V HN 1.094 nan 8.190 nan 0.000 0.450 265 E N 0.850 120.396 120.200 -1.090 0.000 2.351 265 E HA 0.428 4.778 4.350 0.001 0.000 0.266 265 E C 0.510 176.993 176.600 -0.195 0.000 1.031 265 E CA 0.485 56.388 56.400 -0.830 0.000 0.911 265 E CB 0.479 29.713 29.700 -0.777 0.000 0.986 265 E HN 1.048 nan 8.360 nan 0.000 0.446 266 G N 3.960 112.814 108.800 0.090 0.000 2.582 266 G HA2 0.163 4.123 3.960 0.001 0.000 0.232 266 G HA3 0.163 4.123 3.960 0.001 0.000 0.232 266 G C -0.490 174.552 174.900 0.236 0.000 1.458 266 G CA -0.455 44.793 45.100 0.247 0.000 1.062 266 G HN 0.592 nan 8.290 nan 0.000 0.566 267 E N 0.943 121.312 120.200 0.282 0.000 2.199 267 E HA 0.337 4.688 4.350 0.001 0.000 0.269 267 E C -2.432 174.305 176.600 0.227 0.000 0.899 267 E CA -1.538 55.008 56.400 0.244 0.000 0.772 267 E CB 2.566 32.418 29.700 0.255 0.000 1.155 267 E HN 0.232 nan 8.360 nan 0.000 0.408 268 P HA 0.067 nan 4.420 nan 0.000 0.281 268 P C 0.264 177.687 177.300 0.204 0.000 1.249 268 P CA -0.519 62.702 63.100 0.200 0.000 0.810 268 P CB 0.952 32.750 31.700 0.163 0.000 1.008 269 V N -1.168 118.849 119.914 0.171 0.000 2.901 269 V HA 0.098 4.218 4.120 0.001 0.000 0.307 269 V C 0.669 176.738 176.094 -0.042 0.000 1.084 269 V CA 0.072 62.385 62.300 0.020 0.000 1.184 269 V CB -1.138 30.647 31.823 -0.064 0.000 0.941 269 V HN 0.854 nan 8.190 nan 0.000 0.493 270 N N 0.693 119.285 118.700 -0.179 0.000 2.806 270 N HA -0.176 4.564 4.740 0.001 0.000 0.248 270 N C -0.499 175.022 175.510 0.019 0.000 1.081 270 N CA 1.086 54.090 53.050 -0.078 0.000 0.680 270 N CB -1.308 37.156 38.487 -0.040 0.000 0.941 270 N HN 1.564 nan 8.380 nan 0.000 0.554 271 S N -0.235 115.502 115.700 0.062 0.000 2.536 271 S HA 0.744 5.214 4.470 0.001 0.000 0.287 271 S C -1.798 172.881 174.600 0.132 0.000 1.101 271 S CA -1.262 57.008 58.200 0.117 0.000 0.950 271 S CB 1.786 65.085 63.200 0.165 0.000 1.056 271 S HN -0.008 nan 8.310 nan 0.000 0.481 272 P HA -0.023 nan 4.420 nan 0.000 0.217 272 P C 0.005 177.392 177.300 0.144 0.000 1.148 272 P CA 1.324 64.499 63.100 0.125 0.000 0.828 272 P CB -0.094 31.670 31.700 0.107 0.000 0.783 273 N N -2.725 116.061 118.700 0.144 0.000 2.273 273 N HA 0.046 4.786 4.740 0.001 0.000 0.231 273 N C 0.926 176.436 175.510 -0.001 0.000 1.134 273 N CA -0.355 52.747 53.050 0.087 0.000 0.856 273 N CB -0.401 38.184 38.487 0.163 0.000 1.068 273 N HN 0.065 nan 8.380 nan 0.000 0.510 274 Y N 0.601 120.848 120.300 -0.088 0.000 2.139 274 Y HA -0.301 4.249 4.550 0.000 0.000 0.282 274 Y C 1.051 176.721 175.900 -0.383 0.000 1.179 274 Y CA 1.841 59.785 58.100 -0.262 0.000 1.161 274 Y CB -0.138 38.072 38.460 -0.418 0.000 0.970 274 Y HN 0.086 nan 8.280 nan 0.000 0.511 275 F N -1.921 118.005 119.950 -0.040 0.000 2.262 275 F HA -0.089 4.439 4.527 0.001 0.000 0.292 275 F C 2.296 177.948 175.800 -0.247 0.000 1.081 275 F CA 0.962 58.878 58.000 -0.140 0.000 1.355 275 F CB -0.770 38.232 39.000 0.002 0.000 1.069 275 F HN -0.224 nan 8.300 nan 0.000 0.506 276 V N 0.463 120.325 119.914 -0.086 0.000 2.324 276 V HA -0.370 3.750 4.120 0.001 0.000 0.250 276 V C 2.536 178.221 176.094 -0.682 0.000 1.060 276 V CA 1.995 64.123 62.300 -0.288 0.000 1.042 276 V CB -1.396 30.276 31.823 -0.252 0.000 0.650 276 V HN 0.384 nan 8.190 nan 0.000 0.450 277 A N -0.776 121.501 122.820 -0.905 0.000 1.929 277 A HA -0.185 4.136 4.320 0.001 0.000 0.216 277 A C 2.319 179.640 177.584 -0.437 0.000 1.176 277 A CA 1.789 53.104 52.037 -1.204 0.000 0.628 277 A CB -0.388 18.224 19.000 -0.648 0.000 0.816 277 A HN 0.505 nan 8.150 nan 0.000 0.444 278 K N -0.844 119.357 120.400 -0.333 0.000 2.217 278 K HA 0.039 4.360 4.320 0.001 0.000 0.202 278 K C 1.811 178.340 176.600 -0.119 0.000 1.051 278 K CA 0.912 57.081 56.287 -0.196 0.000 0.952 278 K CB -0.180 32.161 32.500 -0.266 0.000 0.736 278 K HN 0.447 nan 8.250 nan 0.000 0.453 279 L N 0.049 121.181 121.223 -0.151 0.000 2.109 279 L HA -0.023 4.317 4.340 0.001 0.000 0.207 279 L C 2.074 178.862 176.870 -0.137 0.000 1.086 279 L CA 1.385 56.147 54.840 -0.130 0.000 0.760 279 L CB -0.234 41.746 42.059 -0.132 0.000 0.910 279 L HN 0.092 nan 8.230 nan 0.000 0.437 280 A N -0.219 122.511 122.820 -0.150 0.000 1.933 280 A HA -0.118 4.203 4.320 0.001 0.000 0.218 280 A C 2.421 180.097 177.584 0.153 0.000 1.175 280 A CA 1.597 53.624 52.037 -0.018 0.000 0.628 280 A CB -0.991 17.974 19.000 -0.057 0.000 0.814 280 A HN 0.559 nan 8.150 nan 0.000 0.444 281 A N -1.177 121.748 122.820 0.175 0.000 1.930 281 A HA -0.135 4.185 4.320 0.001 0.000 0.217 281 A C 2.099 179.648 177.584 -0.060 0.000 1.175 281 A CA 1.905 53.922 52.037 -0.034 0.000 0.627 281 A CB -0.429 18.451 19.000 -0.200 0.000 0.815 281 A HN 0.479 nan 8.150 nan 0.000 0.443 282 Q N 0.092 119.848 119.800 -0.075 0.000 2.291 282 Q HA -0.021 4.319 4.340 0.001 0.000 0.205 282 Q C 1.593 177.506 176.000 -0.145 0.000 0.970 282 Q CA 1.182 56.936 55.803 -0.081 0.000 0.876 282 Q CB -0.562 28.129 28.738 -0.078 0.000 0.935 282 Q HN 0.740 nan 8.270 nan 0.000 0.455 283 I N -0.848 119.554 120.570 -0.281 0.000 2.202 283 I HA -0.232 3.939 4.170 0.001 0.000 0.242 283 I C 1.077 176.935 176.117 -0.430 0.000 1.091 283 I CA 1.071 62.104 61.300 -0.445 0.000 1.368 283 I CB -0.241 37.294 38.000 -0.776 0.000 1.058 283 I HN 0.158 nan 8.210 nan 0.000 0.410 284 F N 0.884 120.748 119.950 -0.142 0.000 2.664 284 F HA 0.258 4.785 4.527 0.001 0.000 0.296 284 F C 1.927 177.680 175.800 -0.078 0.000 1.125 284 F CA 0.289 58.142 58.000 -0.245 0.000 1.444 284 F CB -1.366 37.163 39.000 -0.785 0.000 1.114 284 F HN 0.131 nan 8.300 nan 0.000 0.576 285 G N 0.394 109.227 108.800 0.055 0.000 2.568 285 G HA2 -0.282 3.679 3.960 0.001 0.000 0.334 285 G HA3 -0.282 3.679 3.960 0.001 0.000 0.334 285 G C 0.085 175.123 174.900 0.230 0.000 1.348 285 G CA 0.293 45.473 45.100 0.134 0.000 0.949 285 G HN 0.373 nan 8.290 nan 0.000 0.532 286 S N -1.379 114.341 115.700 0.033 0.000 2.600 286 S HA 0.702 5.173 4.470 0.001 0.000 0.300 286 S C -1.022 173.406 174.600 -0.286 0.000 1.087 286 S CA 0.075 58.177 58.200 -0.164 0.000 0.965 286 S CB 2.180 65.360 63.200 -0.034 0.000 1.089 286 S HN 1.209 nan 8.310 nan 0.000 0.496 287 Y N 1.287 121.170 120.300 -0.695 0.000 2.480 287 Y HA 0.479 5.029 4.550 0.000 0.000 0.329 287 Y C -1.456 174.297 175.900 -0.244 0.000 1.127 287 Y CA -0.551 57.270 58.100 -0.465 0.000 1.037 287 Y CB 1.296 39.413 38.460 -0.572 0.000 1.320 287 Y HN 0.771 nan 8.280 nan 0.000 0.446 288 N N 4.421 122.661 118.700 -0.766 0.000 2.531 288 N HA 0.487 5.227 4.740 0.001 0.000 0.268 288 N C 0.270 175.239 175.510 -0.901 0.000 1.023 288 N CA 0.259 52.940 53.050 -0.615 0.000 0.896 288 N CB 1.660 40.015 38.487 -0.221 0.000 1.233 288 N HN 0.884 nan 8.380 nan 0.000 0.512 289 A N 3.098 125.275 122.820 -1.071 0.000 2.194 289 A HA -0.098 4.222 4.320 0.001 0.000 0.220 289 A C 0.845 178.076 177.584 -0.589 0.000 1.162 289 A CA 1.066 52.629 52.037 -0.790 0.000 0.674 289 A CB -0.568 18.096 19.000 -0.560 0.000 0.789 289 A HN 0.750 nan 8.150 nan 0.000 0.470 290 F N -0.561 119.288 119.950 -0.168 0.000 2.714 290 F HA 0.155 4.682 4.527 0.000 0.000 0.294 290 F C 0.769 176.528 175.800 -0.068 0.000 1.120 290 F CA -0.030 57.921 58.000 -0.080 0.000 1.398 290 F CB 0.469 39.434 39.000 -0.058 0.000 1.120 290 F HN 0.009 nan 8.300 nan 0.000 0.589 291 E N 1.741 121.965 120.200 0.040 0.000 2.001 291 E HA 0.133 4.484 4.350 0.001 0.000 0.279 291 E C -1.796 174.808 176.600 0.006 0.000 1.045 291 E CA -1.707 54.705 56.400 0.021 0.000 0.833 291 E CB 1.027 30.722 29.700 -0.007 0.000 1.077 291 E HN 0.061 nan 8.360 nan 0.000 0.397 292 P HA -0.286 nan 4.420 nan 0.000 0.219 292 P C 1.099 178.421 177.300 0.036 0.000 1.158 292 P CA 2.081 65.201 63.100 0.033 0.000 0.895 292 P CB 0.327 32.047 31.700 0.033 0.000 0.792 293 A N -1.266 121.571 122.820 0.029 0.000 1.972 293 A HA -0.183 4.137 4.320 0.001 0.000 0.219 293 A C 2.484 180.096 177.584 0.047 0.000 1.169 293 A CA 2.067 54.123 52.037 0.032 0.000 0.635 293 A CB -1.551 17.463 19.000 0.023 0.000 0.810 293 A HN 0.216 nan 8.150 nan 0.000 0.446 294 S N -0.511 115.214 115.700 0.042 0.000 2.383 294 S HA -0.138 4.332 4.470 0.001 0.000 0.227 294 S C 2.032 176.765 174.600 0.221 0.000 1.026 294 S CA 1.183 59.431 58.200 0.081 0.000 0.981 294 S CB -0.319 62.857 63.200 -0.040 0.000 0.818 294 S HN 0.641 nan 8.310 nan 0.000 0.472 295 R N 0.202 120.825 120.500 0.205 0.000 2.280 295 R HA 0.160 4.500 4.340 0.001 0.000 0.207 295 R C 1.546 177.924 176.300 0.130 0.000 1.043 295 R CA 0.576 56.836 56.100 0.268 0.000 1.006 295 R CB -0.195 30.230 30.300 0.208 0.000 0.885 295 R HN 0.419 nan 8.270 nan 0.000 0.467 296 L N 0.674 121.952 121.223 0.092 0.000 2.567 296 L HA 0.053 4.393 4.340 0.001 0.000 0.225 296 L C 0.659 177.556 176.870 0.044 0.000 1.119 296 L CA 0.057 54.928 54.840 0.053 0.000 0.871 296 L CB -0.022 42.060 42.059 0.038 0.000 1.036 296 L HN 0.135 nan 8.230 nan 0.000 0.459 297 Q N 0.297 120.135 119.800 0.063 0.000 2.469 297 Q HA 0.019 4.359 4.340 0.001 0.000 0.279 297 Q C 0.893 176.911 176.000 0.029 0.000 1.097 297 Q CA 0.428 56.260 55.803 0.048 0.000 0.951 297 Q CB 0.289 29.069 28.738 0.070 0.000 1.297 297 Q HN 0.277 nan 8.270 nan 0.000 0.465 298 G N 2.037 110.847 108.800 0.016 0.000 3.636 298 G HA2 0.379 4.339 3.960 0.001 0.000 0.260 298 G HA3 0.379 4.339 3.960 0.001 0.000 0.260 298 G C -0.267 174.638 174.900 0.009 0.000 1.014 298 G CA -0.188 44.915 45.100 0.005 0.000 1.797 298 G HN 0.383 nan 8.290 nan 0.000 0.637 299 I N 0.900 121.485 120.570 0.025 0.000 2.411 299 I HA 0.172 4.342 4.170 0.001 0.000 0.284 299 I C 0.979 177.119 176.117 0.038 0.000 1.012 299 I CA -0.740 60.593 61.300 0.054 0.000 1.119 299 I CB 2.062 40.127 38.000 0.108 0.000 1.261 299 I HN 0.229 nan 8.210 nan 0.000 0.448 300 K N 3.520 123.946 120.400 0.044 0.000 2.113 300 K HA -0.219 4.102 4.320 0.001 0.000 0.208 300 K C 1.830 178.413 176.600 -0.028 0.000 1.047 300 K CA 1.351 57.645 56.287 0.012 0.000 0.928 300 K CB -0.023 32.498 32.500 0.034 0.000 0.716 300 K HN 0.488 nan 8.250 nan 0.000 0.446 301 L N 1.567 122.796 121.223 0.010 0.000 2.127 301 L HA -0.143 4.197 4.340 0.001 0.000 0.211 301 L C 1.845 178.629 176.870 -0.144 0.000 1.089 301 L CA 1.429 56.219 54.840 -0.084 0.000 0.757 301 L CB -0.272 41.748 42.059 -0.066 0.000 0.899 301 L HN 0.114 nan 8.230 nan 0.000 0.434 302 L N -0.508 120.654 121.223 -0.101 0.000 2.450 302 L HA -0.161 4.180 4.340 0.001 0.000 0.224 302 L C 1.827 178.600 176.870 -0.162 0.000 1.149 302 L CA 0.507 55.240 54.840 -0.178 0.000 0.816 302 L CB -0.780 41.182 42.059 -0.162 0.000 0.932 302 L HN 0.334 nan 8.230 nan 0.000 0.449 303 D N 0.106 120.416 120.400 -0.149 0.000 2.110 303 D HA -0.115 4.525 4.640 0.001 0.000 0.202 303 D C 1.843 178.015 176.300 -0.215 0.000 0.975 303 D CA 1.164 55.075 54.000 -0.149 0.000 0.839 303 D CB -0.233 40.486 40.800 -0.134 0.000 0.996 303 D HN 0.351 nan 8.370 nan 0.000 0.464 304 N N 0.466 118.963 118.700 -0.337 0.000 2.166 304 N HA -0.123 4.617 4.740 0.001 0.000 0.186 304 N C 1.881 177.177 175.510 -0.356 0.000 1.019 304 N CA 0.929 53.621 53.050 -0.596 0.000 0.856 304 N CB -0.089 37.734 38.487 -1.107 0.000 0.993 304 N HN 0.269 nan 8.380 nan 0.000 0.426 305 I N -1.274 119.167 120.570 -0.216 0.000 3.226 305 I HA -0.011 4.160 4.170 0.001 0.000 0.277 305 I C 1.459 177.559 176.117 -0.028 0.000 1.243 305 I CA 1.076 62.329 61.300 -0.079 0.000 1.459 305 I CB -0.036 37.900 38.000 -0.105 0.000 1.093 305 I HN 0.034 nan 8.210 nan 0.000 0.453 306 Q N 0.816 120.575 119.800 -0.069 0.000 2.398 306 Q HA -0.055 4.285 4.340 0.001 0.000 0.204 306 Q C 1.847 177.825 176.000 -0.037 0.000 0.932 306 Q CA 0.717 56.506 55.803 -0.024 0.000 0.916 306 Q CB 0.043 28.765 28.738 -0.026 0.000 1.024 306 Q HN 0.705 nan 8.270 nan 0.000 0.504 307 E N 0.370 120.535 120.200 -0.060 0.000 2.058 307 E HA -0.186 4.164 4.350 0.001 0.000 0.194 307 E C 0.344 176.783 176.600 -0.267 0.000 0.997 307 E CA 1.144 57.449 56.400 -0.158 0.000 0.801 307 E CB 0.186 29.801 29.700 -0.141 0.000 0.746 307 E HN 0.377 nan 8.360 nan 0.000 0.450 308 Y N -0.365 119.941 120.300 0.009 0.000 2.660 308 Y HA 0.217 4.768 4.550 0.001 0.000 0.254 308 Y C -0.357 175.554 175.900 0.019 0.000 1.176 308 Y CA -0.465 57.646 58.100 0.020 0.000 1.195 308 Y CB 0.760 39.241 38.460 0.035 0.000 1.190 308 Y HN -0.048 nan 8.280 nan 0.000 0.535 309 Q N 0.742 120.610 119.800 0.114 0.000 2.397 309 Q HA -0.195 4.145 4.340 0.001 0.000 0.362 309 Q C 0.113 176.172 176.000 0.099 0.000 1.324 309 Q CA 0.124 55.977 55.803 0.082 0.000 1.063 309 Q CB -1.077 27.681 28.738 0.033 0.000 1.185 309 Q HN 0.506 nan 8.270 nan 0.000 0.305 310 L N 0.364 121.655 121.223 0.112 0.000 2.291 310 L HA 0.104 4.445 4.340 0.001 0.000 0.214 310 L C 1.039 177.951 176.870 0.071 0.000 1.120 310 L CA 1.558 56.454 54.840 0.094 0.000 0.799 310 L CB -0.380 41.742 42.059 0.106 0.000 0.925 310 L HN 0.896 nan 8.230 nan 0.000 0.446 311 C N -5.905 113.456 119.300 0.102 0.000 3.306 311 C HA 0.423 4.883 4.460 0.001 0.000 0.335 311 C C 1.029 176.073 174.990 0.090 0.000 1.382 311 C CA -1.064 58.012 59.018 0.095 0.000 1.254 311 C CB 0.932 28.768 27.740 0.159 0.000 1.555 311 C HN 0.058 nan 8.230 nan 0.000 0.463 312 D N 1.127 121.551 120.400 0.039 0.000 2.183 312 D HA 0.121 4.761 4.640 0.001 0.000 0.205 312 D C 0.633 176.925 176.300 -0.014 0.000 0.962 312 D CA 1.594 55.580 54.000 -0.023 0.000 0.849 312 D CB 0.164 41.029 40.800 0.109 0.000 0.978 312 D HN 0.861 nan 8.370 nan 0.000 0.488 313 N N -1.023 117.752 118.700 0.125 0.000 3.116 313 N HA 0.324 5.065 4.740 0.001 0.000 0.244 313 N C -1.358 174.378 175.510 0.376 0.000 1.485 313 N CA -0.644 52.496 53.050 0.151 0.000 0.884 313 N CB 1.884 40.405 38.487 0.056 0.000 1.415 313 N HN 0.013 nan 8.380 nan 0.000 0.524 314 F N -1.602 118.481 119.950 0.223 0.000 2.746 314 F HA 0.519 5.047 4.527 0.001 0.000 0.311 314 F C -2.430 173.535 175.800 0.276 0.000 1.135 314 F CA -0.966 57.175 58.000 0.234 0.000 0.954 314 F CB 1.099 40.297 39.000 0.330 0.000 1.276 314 F HN 0.703 nan 8.300 nan 0.000 0.440 315 N N 0.947 119.886 118.700 0.399 0.000 2.324 315 N HA 0.289 5.029 4.740 0.001 0.000 0.285 315 N C -2.164 173.576 175.510 0.383 0.000 1.076 315 N CA -0.633 52.604 53.050 0.311 0.000 0.864 315 N CB 2.035 40.648 38.487 0.211 0.000 1.632 315 N HN 0.887 nan 8.380 nan 0.000 0.478 316 H N 1.416 120.665 119.070 0.299 0.000 2.467 316 H HA 0.460 5.016 4.556 0.001 0.000 0.331 316 H C -0.635 174.671 175.328 -0.036 0.000 1.120 316 H CA -0.103 55.976 56.048 0.052 0.000 1.270 316 H CB 1.257 31.043 29.762 0.041 0.000 1.466 316 H HN 0.581 nan 8.280 nan 0.000 0.504 317 F N -0.625 119.283 119.950 -0.069 0.000 2.675 317 F HA 0.476 5.003 4.527 0.000 0.000 0.324 317 F C -0.061 175.597 175.800 -0.237 0.000 1.106 317 F CA -1.361 56.583 58.000 -0.094 0.000 0.970 317 F CB 1.612 40.612 39.000 0.000 0.000 1.385 317 F HN 0.305 nan 8.300 nan 0.000 0.489 318 S N 1.857 117.687 115.700 0.217 0.000 2.486 318 S HA 0.438 4.909 4.470 0.001 0.000 0.144 318 S C -1.401 173.290 174.600 0.151 0.000 1.542 318 S CA -0.435 57.867 58.200 0.171 0.000 1.262 318 S CB -0.542 62.694 63.200 0.061 0.000 1.462 318 S HN 0.551 nan 8.310 nan 0.000 0.381 319 L N 3.036 124.403 121.223 0.240 0.000 2.534 319 L HA 0.361 4.701 4.340 0.001 0.000 0.271 319 L C 0.562 177.352 176.870 -0.134 0.000 1.178 319 L CA 0.969 55.809 54.840 -0.000 0.000 0.907 319 L CB 0.496 42.608 42.059 0.088 0.000 1.164 319 L HN 0.436 nan 8.230 nan 0.000 0.482 320 S N 3.076 118.575 115.700 -0.335 0.000 2.536 320 S HA 0.795 5.265 4.470 0.001 0.000 0.298 320 S C -0.915 173.404 174.600 -0.467 0.000 1.083 320 S CA -0.451 57.636 58.200 -0.188 0.000 0.995 320 S CB 1.437 64.726 63.200 0.148 0.000 1.058 320 S HN 0.387 nan 8.310 nan 0.000 0.488 321 Y N -0.020 120.397 120.300 0.196 0.000 2.889 321 Y HA 0.466 5.017 4.550 0.001 0.000 0.317 321 Y C 1.371 177.330 175.900 0.098 0.000 1.414 321 Y CA -1.102 57.077 58.100 0.132 0.000 1.091 321 Y CB 0.800 39.311 38.460 0.085 0.000 1.358 321 Y HN 0.427 nan 8.280 nan 0.000 0.487 322 K N 0.135 120.689 120.400 0.256 0.000 2.031 322 K HA -0.119 4.202 4.320 0.001 0.000 0.205 322 K C 0.441 177.109 176.600 0.114 0.000 1.049 322 K CA 2.033 58.407 56.287 0.146 0.000 0.939 322 K CB -0.187 32.381 32.500 0.113 0.000 0.717 322 K HN 0.684 nan 8.250 nan 0.000 0.438 323 D N -0.443 120.010 120.400 0.088 0.000 2.197 323 D HA -0.004 4.636 4.640 0.001 0.000 0.212 323 D C 1.147 177.495 176.300 0.079 0.000 0.963 323 D CA 0.637 54.666 54.000 0.049 0.000 0.864 323 D CB 0.479 41.263 40.800 -0.026 0.000 1.009 323 D HN 0.005 nan 8.370 nan 0.000 0.479 324 S N -2.096 113.666 115.700 0.103 0.000 3.341 324 S HA 0.711 5.182 4.470 0.001 0.000 0.326 324 S C -0.756 174.073 174.600 0.381 0.000 1.178 324 S CA -0.060 58.264 58.200 0.206 0.000 1.002 324 S CB 1.533 64.847 63.200 0.190 0.000 1.385 324 S HN 0.288 nan 8.310 nan 0.000 0.710 325 G N -0.027 109.108 108.800 0.557 0.000 2.441 325 G HA2 0.547 4.507 3.960 0.001 0.000 0.294 325 G HA3 0.547 4.507 3.960 0.001 0.000 0.294 325 G C -2.484 172.785 174.900 0.615 0.000 1.393 325 G CA -0.615 44.836 45.100 0.585 0.000 0.796 325 G HN 0.682 nan 8.290 nan 0.000 0.494 326 L N -0.197 121.330 121.223 0.507 0.000 2.476 326 L HA 0.516 4.856 4.340 0.001 0.000 0.269 326 L C -1.623 175.586 176.870 0.565 0.000 0.965 326 L CA -0.409 54.713 54.840 0.470 0.000 0.845 326 L CB 2.660 44.970 42.059 0.418 0.000 1.259 326 L HN 0.686 nan 8.230 nan 0.000 0.403 327 W N 4.596 126.021 121.300 0.209 0.000 2.471 327 W HA 0.694 5.354 4.660 0.000 0.000 0.318 327 W C 0.117 176.528 176.519 -0.180 0.000 1.034 327 W CA 0.146 57.528 57.345 0.061 0.000 1.224 327 W CB 1.726 31.264 29.460 0.130 0.000 1.335 327 W HN 0.580 nan 8.180 nan 0.000 0.452 328 G N 3.788 112.097 108.800 -0.817 0.000 2.435 328 G HA2 0.427 4.387 3.960 0.001 0.000 0.228 328 G HA3 0.427 4.387 3.960 0.001 0.000 0.228 328 G C -1.620 172.645 174.900 -1.058 0.000 1.198 328 G CA -0.315 44.397 45.100 -0.646 0.000 0.948 328 G HN 0.965 nan 8.290 nan 0.000 0.487 329 F N -0.861 118.704 119.950 -0.641 0.000 2.662 329 F HA 0.873 5.400 4.527 0.000 0.000 0.312 329 F C -0.647 175.208 175.800 0.092 0.000 1.113 329 F CA -0.999 56.696 58.000 -0.509 0.000 0.951 329 F CB 1.801 40.395 39.000 -0.676 0.000 1.344 329 F HN 0.553 nan 8.300 nan 0.000 0.462 330 S N 0.503 116.169 115.700 -0.057 0.000 2.600 330 S HA 0.829 5.300 4.470 0.001 0.000 0.300 330 S C -0.871 173.587 174.600 -0.236 0.000 1.087 330 S CA -0.612 57.521 58.200 -0.112 0.000 0.965 330 S CB 1.975 65.291 63.200 0.192 0.000 1.089 330 S HN 0.956 nan 8.310 nan 0.000 0.496 331 T N -0.299 114.152 114.554 -0.172 0.000 2.827 331 T HA 0.636 4.987 4.350 0.001 0.000 0.328 331 T C -2.124 172.577 174.700 0.001 0.000 1.598 331 T CA -0.384 61.697 62.100 -0.031 0.000 1.043 331 T CB 1.013 69.830 68.868 -0.086 0.000 1.447 331 T HN 0.950 nan 8.240 nan 0.000 0.491 332 A N 1.873 124.691 122.820 -0.003 0.000 2.386 332 A HA 0.903 5.223 4.320 0.001 0.000 0.311 332 A C -0.176 177.286 177.584 -0.202 0.000 1.068 332 A CA -0.564 51.329 52.037 -0.240 0.000 0.743 332 A CB 2.007 20.869 19.000 -0.229 0.000 1.258 332 A HN 1.150 nan 8.150 nan 0.000 0.429 333 T N 0.221 114.577 114.554 -0.329 0.000 2.923 333 T HA 0.513 4.863 4.350 0.001 0.000 0.311 333 T C 0.279 174.838 174.700 -0.235 0.000 1.183 333 T CA -0.433 61.551 62.100 -0.192 0.000 1.020 333 T CB 1.393 70.196 68.868 -0.108 0.000 1.165 333 T HN 0.628 nan 8.240 nan 0.000 0.482 334 R N 1.837 122.260 120.500 -0.129 0.000 2.282 334 R HA 0.287 4.627 4.340 0.001 0.000 0.195 334 R C 1.033 177.295 176.300 -0.064 0.000 0.909 334 R CA -0.008 56.029 56.100 -0.105 0.000 1.039 334 R CB 0.217 30.495 30.300 -0.037 0.000 1.015 334 R HN 0.582 nan 8.270 nan 0.000 0.513 335 N N 1.618 120.292 118.700 -0.044 0.000 3.050 335 N HA -0.020 4.720 4.740 0.001 0.000 0.289 335 N C 1.214 176.697 175.510 -0.044 0.000 1.209 335 N CA -0.269 52.767 53.050 -0.023 0.000 1.154 335 N CB 0.735 39.225 38.487 0.006 0.000 1.444 335 N HN 0.025 nan 8.380 nan 0.000 0.529 336 V N -0.048 119.833 119.914 -0.055 0.000 2.867 336 V HA -0.137 3.984 4.120 0.001 0.000 0.260 336 V C 2.058 178.121 176.094 -0.052 0.000 1.099 336 V CA 1.978 64.241 62.300 -0.061 0.000 1.122 336 V CB -0.976 30.811 31.823 -0.061 0.000 0.708 336 V HN 0.608 nan 8.190 nan 0.000 0.490 337 T N -3.366 111.161 114.554 -0.046 0.000 3.081 337 T HA 0.262 4.612 4.350 0.001 0.000 0.250 337 T C 1.171 175.831 174.700 -0.067 0.000 1.100 337 T CA 0.605 62.674 62.100 -0.052 0.000 1.038 337 T CB -0.175 68.667 68.868 -0.044 0.000 0.962 337 T HN 0.497 nan 8.240 nan 0.000 0.516 338 M N 0.224 119.785 119.600 -0.065 0.000 2.596 338 M HA 0.467 4.947 4.480 0.001 0.000 0.364 338 M C 0.900 177.156 176.300 -0.074 0.000 1.158 338 M CA -0.173 55.079 55.300 -0.081 0.000 0.940 338 M CB 0.262 32.817 32.600 -0.075 0.000 1.388 338 M HN 0.118 nan 8.290 nan 0.000 0.522 339 I N 1.588 122.116 120.570 -0.069 0.000 2.264 339 I HA -0.333 3.837 4.170 0.001 0.000 0.248 339 I C 2.230 178.298 176.117 -0.082 0.000 1.111 339 I CA 1.620 62.881 61.300 -0.065 0.000 1.382 339 I CB -0.502 37.462 38.000 -0.061 0.000 1.060 339 I HN 0.504 nan 8.210 nan 0.000 0.418 340 D N 0.615 120.953 120.400 -0.104 0.000 2.221 340 D HA -0.250 4.390 4.640 0.001 0.000 0.204 340 D C 1.212 177.407 176.300 -0.176 0.000 0.982 340 D CA 1.350 55.268 54.000 -0.136 0.000 0.857 340 D CB -0.441 40.269 40.800 -0.151 0.000 0.934 340 D HN 0.411 nan 8.370 nan 0.000 0.475 341 D N 0.656 120.944 120.400 -0.187 0.000 2.213 341 D HA 0.008 4.648 4.640 0.001 0.000 0.205 341 D C 2.297 178.472 176.300 -0.209 0.000 0.961 341 D CA -0.101 53.724 54.000 -0.291 0.000 0.853 341 D CB 0.012 40.665 40.800 -0.246 0.000 0.967 341 D HN 0.228 nan 8.370 nan 0.000 0.496 342 L N 0.982 122.156 121.223 -0.083 0.000 1.989 342 L HA -0.191 4.150 4.340 0.001 0.000 0.211 342 L C 2.155 178.960 176.870 -0.109 0.000 1.071 342 L CA 1.173 55.991 54.840 -0.036 0.000 0.749 342 L CB -0.132 41.923 42.059 -0.007 0.000 0.890 342 L HN -0.025 nan 8.230 nan 0.000 0.431 343 I N -0.640 119.862 120.570 -0.113 0.000 2.179 343 I HA -0.303 3.867 4.170 0.001 0.000 0.242 343 I C 2.493 178.449 176.117 -0.268 0.000 1.088 343 I CA 1.439 62.638 61.300 -0.168 0.000 1.357 343 I CB -1.816 36.116 38.000 -0.113 0.000 1.051 343 I HN 0.419 nan 8.210 nan 0.000 0.409 344 H N 1.367 120.222 119.070 -0.359 0.000 2.265 344 H HA -0.221 4.335 4.556 0.001 0.000 0.295 344 H C 2.081 177.173 175.328 -0.393 0.000 1.084 344 H CA 2.096 57.889 56.048 -0.425 0.000 1.261 344 H CB -0.476 28.949 29.762 -0.562 0.000 1.360 344 H HN 0.117 nan 8.280 nan 0.000 0.487 345 F N 0.337 120.042 119.950 -0.409 0.000 2.102 345 F HA -0.158 4.369 4.527 0.001 0.000 0.298 345 F C 2.847 178.325 175.800 -0.537 0.000 1.105 345 F CA 1.685 59.405 58.000 -0.468 0.000 1.239 345 F CB -1.185 37.640 39.000 -0.292 0.000 0.991 345 F HN 0.188 nan 8.300 nan 0.000 0.474 346 T N 0.476 114.770 114.554 -0.434 0.000 2.684 346 T HA -0.190 4.160 4.350 0.001 0.000 0.267 346 T C 2.001 176.005 174.700 -1.159 0.000 1.036 346 T CA 1.363 62.957 62.100 -0.845 0.000 1.148 346 T CB -0.534 67.676 68.868 -1.097 0.000 0.863 346 T HN 0.010 nan 8.240 nan 0.000 0.436 347 L N 0.485 121.139 121.223 -0.948 0.000 2.217 347 L HA 0.102 4.442 4.340 0.001 0.000 0.211 347 L C 2.366 178.984 176.870 -0.420 0.000 1.107 347 L CA 1.288 55.647 54.840 -0.802 0.000 0.783 347 L CB -0.448 41.285 42.059 -0.543 0.000 0.919 347 L HN 0.009 nan 8.230 nan 0.000 0.442 348 K N -0.516 119.647 120.400 -0.395 0.000 2.211 348 K HA -0.075 4.245 4.320 0.001 0.000 0.203 348 K C 2.013 178.543 176.600 -0.117 0.000 1.050 348 K CA 0.717 56.862 56.287 -0.236 0.000 0.945 348 K CB -0.026 32.302 32.500 -0.288 0.000 0.732 348 K HN 0.345 nan 8.250 nan 0.000 0.451 349 Q N -0.751 118.927 119.800 -0.203 0.000 2.083 349 Q HA -0.106 4.235 4.340 0.001 0.000 0.198 349 Q C 1.928 177.977 176.000 0.082 0.000 0.969 349 Q CA 0.947 56.690 55.803 -0.099 0.000 0.838 349 Q CB -0.186 28.359 28.738 -0.322 0.000 0.900 349 Q HN 0.353 nan 8.270 nan 0.000 0.436 350 W N 1.705 122.831 121.300 -0.291 0.000 2.374 350 W HA -0.080 4.580 4.660 0.000 0.000 0.288 350 W C 1.672 178.249 176.519 0.097 0.000 1.218 350 W CA 0.486 57.792 57.345 -0.065 0.000 1.245 350 W CB -1.151 28.268 29.460 -0.069 0.000 1.126 350 W HN 0.361 nan 8.180 nan 0.000 0.545 351 N N -0.056 118.814 118.700 0.283 0.000 2.223 351 N HA -0.155 4.586 4.740 0.001 0.000 0.185 351 N C 1.747 177.475 175.510 0.363 0.000 1.016 351 N CA 1.044 54.288 53.050 0.324 0.000 0.863 351 N CB -0.324 38.285 38.487 0.205 0.000 0.983 351 N HN 0.155 nan 8.380 nan 0.000 0.429 352 R N 0.970 121.642 120.500 0.287 0.000 2.127 352 R HA -0.067 4.273 4.340 0.001 0.000 0.238 352 R C 1.951 178.385 176.300 0.223 0.000 1.134 352 R CA 0.816 57.060 56.100 0.241 0.000 0.975 352 R CB -0.461 29.979 30.300 0.233 0.000 0.865 352 R HN 0.293 nan 8.270 nan 0.000 0.447 353 L N 0.209 121.605 121.223 0.288 0.000 2.349 353 L HA -0.145 4.196 4.340 0.001 0.000 0.220 353 L C 1.627 178.572 176.870 0.125 0.000 1.130 353 L CA 1.056 56.024 54.840 0.213 0.000 0.791 353 L CB -0.385 41.831 42.059 0.262 0.000 0.918 353 L HN 0.227 nan 8.230 nan 0.000 0.444 354 T N -0.871 113.752 114.554 0.115 0.000 3.023 354 T HA 0.135 4.486 4.350 0.001 0.000 0.249 354 T C 1.673 176.298 174.700 -0.126 0.000 1.050 354 T CA 0.608 62.686 62.100 -0.035 0.000 1.088 354 T CB 0.383 69.190 68.868 -0.102 0.000 0.946 354 T HN 0.407 nan 8.240 nan 0.000 0.480 355 I N -1.024 119.518 120.570 -0.045 0.000 3.812 355 I HA 0.350 4.520 4.170 0.001 0.000 0.292 355 I C 1.489 177.604 176.117 -0.003 0.000 1.206 355 I CA 0.069 61.333 61.300 -0.061 0.000 1.370 355 I CB 0.268 38.237 38.000 -0.051 0.000 1.328 355 I HN 0.112 nan 8.210 nan 0.000 0.453 356 S N 0.991 116.717 115.700 0.043 0.000 2.855 356 S HA 0.306 4.776 4.470 0.001 0.000 0.249 356 S C 0.093 174.722 174.600 0.048 0.000 1.033 356 S CA -0.388 57.837 58.200 0.041 0.000 1.038 356 S CB -0.096 63.133 63.200 0.049 0.000 0.960 356 S HN 0.172 nan 8.310 nan 0.000 0.548 357 V N 4.530 124.476 119.914 0.053 0.000 2.493 357 V HA 0.327 4.448 4.120 0.001 0.000 0.292 357 V C 0.903 177.005 176.094 0.013 0.000 1.016 357 V CA 0.746 63.071 62.300 0.042 0.000 1.097 357 V CB 0.256 32.102 31.823 0.039 0.000 0.947 357 V HN 0.765 nan 8.190 nan 0.000 0.479 358 T N 2.303 116.861 114.554 0.005 0.000 2.788 358 T HA 0.123 4.474 4.350 0.001 0.000 0.287 358 T C 1.015 175.703 174.700 -0.020 0.000 1.007 358 T CA 0.013 62.109 62.100 -0.006 0.000 1.005 358 T CB 0.855 69.720 68.868 -0.006 0.000 1.012 358 T HN 0.718 nan 8.240 nan 0.000 0.530 359 D N 0.125 120.512 120.400 -0.021 0.000 2.144 359 D HA -0.122 4.518 4.640 0.001 0.000 0.200 359 D C 2.264 178.542 176.300 -0.035 0.000 0.978 359 D CA 1.943 55.927 54.000 -0.027 0.000 0.833 359 D CB -0.271 40.515 40.800 -0.023 0.000 0.961 359 D HN 0.848 nan 8.370 nan 0.000 0.470 360 T N -1.617 112.918 114.554 -0.032 0.000 2.995 360 T HA -0.034 4.316 4.350 0.001 0.000 0.269 360 T C 1.632 176.303 174.700 -0.049 0.000 1.091 360 T CA 0.782 62.859 62.100 -0.037 0.000 1.128 360 T CB -0.012 68.838 68.868 -0.030 0.000 0.891 360 T HN 0.107 nan 8.240 nan 0.000 0.492 361 E N 0.305 120.474 120.200 -0.051 0.000 2.106 361 E HA -0.033 4.317 4.350 0.001 0.000 0.192 361 E C 2.285 178.826 176.600 -0.097 0.000 0.984 361 E CA 1.016 57.371 56.400 -0.075 0.000 0.806 361 E CB -0.072 29.583 29.700 -0.075 0.000 0.750 361 E HN 0.374 nan 8.360 nan 0.000 0.458 362 V N 1.572 121.437 119.914 -0.081 0.000 2.379 362 V HA -0.194 3.927 4.120 0.001 0.000 0.245 362 V C 2.173 178.216 176.094 -0.085 0.000 1.044 362 V CA 1.467 63.715 62.300 -0.086 0.000 1.036 362 V CB -0.317 31.466 31.823 -0.066 0.000 0.664 362 V HN 0.168 nan 8.190 nan 0.000 0.453 363 E N 0.190 120.347 120.200 -0.071 0.000 2.051 363 E HA -0.223 4.128 4.350 0.001 0.000 0.192 363 E C 2.324 178.876 176.600 -0.080 0.000 0.991 363 E CA 1.219 57.576 56.400 -0.071 0.000 0.799 363 E CB -0.419 29.247 29.700 -0.057 0.000 0.748 363 E HN 0.465 nan 8.360 nan 0.000 0.449 364 R N 0.531 120.986 120.500 -0.076 0.000 2.091 364 R HA -0.125 4.215 4.340 0.001 0.000 0.238 364 R C 2.148 178.393 176.300 -0.092 0.000 1.136 364 R CA 1.401 57.456 56.100 -0.075 0.000 0.959 364 R CB -0.167 30.093 30.300 -0.066 0.000 0.856 364 R HN 0.130 nan 8.270 nan 0.000 0.437 365 A N 1.427 124.183 122.820 -0.106 0.000 1.877 365 A HA -0.191 4.129 4.320 0.001 0.000 0.216 365 A C 2.030 179.541 177.584 -0.122 0.000 1.186 365 A CA 1.680 53.646 52.037 -0.118 0.000 0.620 365 A CB -0.365 18.553 19.000 -0.137 0.000 0.822 365 A HN 0.357 nan 8.150 nan 0.000 0.443 366 K N -0.012 120.312 120.400 -0.127 0.000 2.001 366 K HA -0.142 4.178 4.320 0.001 0.000 0.214 366 K C 2.394 178.879 176.600 -0.192 0.000 1.050 366 K CA 1.784 57.977 56.287 -0.157 0.000 0.934 366 K CB -0.376 32.037 32.500 -0.144 0.000 0.718 366 K HN 0.448 nan 8.250 nan 0.000 0.443 367 S N 1.526 117.131 115.700 -0.159 0.000 2.365 367 S HA -0.146 4.324 4.470 0.001 0.000 0.225 367 S C 1.948 176.456 174.600 -0.154 0.000 1.039 367 S CA 1.256 59.360 58.200 -0.159 0.000 1.033 367 S CB -0.288 62.847 63.200 -0.108 0.000 0.887 367 S HN 0.214 nan 8.310 nan 0.000 0.447 368 L N 0.590 121.741 121.223 -0.119 0.000 2.313 368 L HA 0.071 4.411 4.340 0.001 0.000 0.214 368 L C 2.267 179.076 176.870 -0.102 0.000 1.119 368 L CA 0.512 55.296 54.840 -0.093 0.000 0.809 368 L CB -0.318 41.701 42.059 -0.067 0.000 0.933 368 L HN 0.314 nan 8.230 nan 0.000 0.449 369 L N -0.053 121.092 121.223 -0.131 0.000 2.007 369 L HA -0.208 4.133 4.340 0.001 0.000 0.205 369 L C 2.637 179.403 176.870 -0.174 0.000 1.073 369 L CA 1.427 56.195 54.840 -0.120 0.000 0.744 369 L CB -0.141 41.845 42.059 -0.121 0.000 0.898 369 L HN 0.187 nan 8.230 nan 0.000 0.435 370 K N -0.283 119.920 120.400 -0.329 0.000 2.059 370 K HA -0.291 4.029 4.320 0.001 0.000 0.212 370 K C 1.947 178.369 176.600 -0.296 0.000 1.050 370 K CA 1.965 57.889 56.287 -0.604 0.000 0.927 370 K CB -0.524 31.405 32.500 -0.952 0.000 0.714 370 K HN 0.173 nan 8.250 nan 0.000 0.447 371 L N 1.906 123.013 121.223 -0.193 0.000 1.956 371 L HA -0.303 4.038 4.340 0.001 0.000 0.216 371 L C 2.569 179.424 176.870 -0.025 0.000 1.073 371 L CA 2.116 56.910 54.840 -0.077 0.000 0.762 371 L CB -0.673 41.349 42.059 -0.061 0.000 0.889 371 L HN 0.266 nan 8.230 nan 0.000 0.433 372 Q N -1.172 118.612 119.800 -0.028 0.000 2.226 372 Q HA -0.208 4.132 4.340 0.001 0.000 0.204 372 Q C 2.030 178.041 176.000 0.018 0.000 0.975 372 Q CA 1.977 57.784 55.803 0.007 0.000 0.866 372 Q CB -0.811 27.933 28.738 0.010 0.000 0.915 372 Q HN 0.489 nan 8.270 nan 0.000 0.440 373 L N 0.907 122.123 121.223 -0.012 0.000 2.056 373 L HA 0.114 4.455 4.340 0.001 0.000 0.207 373 L C 2.228 179.065 176.870 -0.055 0.000 1.078 373 L CA 2.206 57.020 54.840 -0.044 0.000 0.749 373 L CB -1.036 41.000 42.059 -0.040 0.000 0.901 373 L HN 0.374 nan 8.230 nan 0.000 0.433 374 G N -1.485 107.352 108.800 0.061 0.000 2.433 374 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 374 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 374 G C 1.411 176.378 174.900 0.111 0.000 1.186 374 G CA 0.620 45.794 45.100 0.124 0.000 0.779 374 G HN 0.512 nan 8.290 nan 0.000 0.543 375 Q N -0.360 119.495 119.800 0.091 0.000 2.297 375 Q HA 0.042 4.382 4.340 0.001 0.000 0.208 375 Q C 2.417 178.492 176.000 0.125 0.000 0.981 375 Q CA 0.462 56.321 55.803 0.094 0.000 0.876 375 Q CB -0.152 28.629 28.738 0.071 0.000 0.921 375 Q HN 0.478 nan 8.270 nan 0.000 0.446 376 L N -0.847 120.468 121.223 0.153 0.000 2.049 376 L HA -0.157 4.184 4.340 0.001 0.000 0.203 376 L C 1.939 179.018 176.870 0.349 0.000 1.074 376 L CA 1.168 56.147 54.840 0.231 0.000 0.749 376 L CB -0.148 42.066 42.059 0.258 0.000 0.907 376 L HN 0.279 nan 8.230 nan 0.000 0.439 377 Y N 0.095 120.443 120.300 0.079 0.000 2.153 377 Y HA -0.137 4.413 4.550 0.000 0.000 0.289 377 Y C 0.989 176.912 175.900 0.037 0.000 1.127 377 Y CA 0.133 58.265 58.100 0.054 0.000 1.131 377 Y CB 0.117 38.607 38.460 0.049 0.000 0.995 377 Y HN 0.178 nan 8.280 nan 0.000 0.505 378 E N 1.444 121.776 120.200 0.219 0.000 1.892 378 E HA 0.088 4.439 4.350 0.001 0.000 0.271 378 E C -0.541 176.120 176.600 0.101 0.000 1.146 378 E CA -0.288 56.185 56.400 0.122 0.000 1.096 378 E CB 0.521 30.277 29.700 0.094 0.000 1.155 378 E HN 0.010 nan 8.360 nan 0.000 0.458 379 S N 0.354 116.112 115.700 0.096 0.000 2.621 379 S HA 0.521 4.991 4.470 0.001 0.000 0.302 379 S C 0.886 175.540 174.600 0.090 0.000 1.093 379 S CA -0.634 57.620 58.200 0.091 0.000 1.017 379 S CB 1.484 64.739 63.200 0.092 0.000 1.077 379 S HN 0.413 nan 8.310 nan 0.000 0.517 380 G N 1.969 110.838 108.800 0.115 0.000 3.383 380 G HA2 0.146 4.106 3.960 0.001 0.000 0.251 380 G HA3 0.146 4.106 3.960 0.001 0.000 0.251 380 G C 0.013 175.049 174.900 0.227 0.000 1.203 380 G CA -0.241 44.977 45.100 0.197 0.000 0.852 380 G HN 0.555 nan 8.290 nan 0.000 0.531 381 N N 0.097 118.875 118.700 0.130 0.000 2.531 381 N HA 0.341 5.082 4.740 0.001 0.000 0.268 381 N C -2.139 173.416 175.510 0.075 0.000 1.023 381 N CA -2.027 51.085 53.050 0.104 0.000 0.896 381 N CB 2.600 41.131 38.487 0.073 0.000 1.233 381 N HN -0.234 nan 8.380 nan 0.000 0.512 382 P HA -0.132 nan 4.420 nan 0.000 0.219 382 P C 1.418 178.734 177.300 0.026 0.000 1.146 382 P CA 0.832 63.957 63.100 0.041 0.000 0.808 382 P CB 0.308 32.036 31.700 0.047 0.000 0.779 383 V N -3.396 116.539 119.914 0.036 0.000 2.913 383 V HA -0.195 3.925 4.120 0.001 0.000 0.260 383 V C 1.637 177.744 176.094 0.022 0.000 1.098 383 V CA 1.742 64.059 62.300 0.028 0.000 1.121 383 V CB -1.486 30.361 31.823 0.041 0.000 0.714 383 V HN 0.128 nan 8.190 nan 0.000 0.487 384 N N 0.459 119.176 118.700 0.028 0.000 2.220 384 N HA -0.099 4.642 4.740 0.001 0.000 0.182 384 N C 1.478 176.985 175.510 -0.005 0.000 1.023 384 N CA 1.185 54.253 53.050 0.030 0.000 0.856 384 N CB -0.149 38.369 38.487 0.051 0.000 0.997 384 N HN 0.484 nan 8.380 nan 0.000 0.429 385 D N 1.515 121.907 120.400 -0.015 0.000 2.149 385 D HA -0.138 4.502 4.640 0.001 0.000 0.198 385 D C 1.871 178.115 176.300 -0.093 0.000 0.990 385 D CA 0.759 54.723 54.000 -0.060 0.000 0.839 385 D CB -0.156 40.620 40.800 -0.039 0.000 0.948 385 D HN 0.254 nan 8.370 nan 0.000 0.460 386 A N 1.342 124.121 122.820 -0.067 0.000 1.845 386 A HA -0.218 4.102 4.320 0.001 0.000 0.215 386 A C 2.037 179.538 177.584 -0.138 0.000 1.195 386 A CA 1.726 53.709 52.037 -0.090 0.000 0.616 386 A CB -1.043 17.920 19.000 -0.060 0.000 0.832 386 A HN 0.199 nan 8.150 nan 0.000 0.443 387 N N -0.478 118.159 118.700 -0.106 0.000 2.258 387 N HA -0.094 4.646 4.740 0.001 0.000 0.187 387 N C 1.512 176.898 175.510 -0.206 0.000 1.012 387 N CA 1.148 54.115 53.050 -0.138 0.000 0.870 387 N CB -0.225 38.272 38.487 0.018 0.000 0.977 387 N HN 0.483 nan 8.380 nan 0.000 0.434 388 L N -0.235 120.889 121.223 -0.165 0.000 2.209 388 L HA 0.011 4.351 4.340 0.001 0.000 0.207 388 L C 2.028 178.743 176.870 -0.258 0.000 1.094 388 L CA 0.416 55.132 54.840 -0.208 0.000 0.790 388 L CB -0.109 41.788 42.059 -0.270 0.000 0.932 388 L HN 0.262 nan 8.230 nan 0.000 0.447 389 L N -0.651 120.430 121.223 -0.236 0.000 2.068 389 L HA -0.042 4.298 4.340 0.001 0.000 0.204 389 L C 2.439 179.176 176.870 -0.220 0.000 1.076 389 L CA 1.300 56.014 54.840 -0.210 0.000 0.753 389 L CB -0.501 41.459 42.059 -0.165 0.000 0.910 389 L HN 0.240 nan 8.230 nan 0.000 0.439 390 G N -0.649 107.991 108.800 -0.266 0.000 2.480 390 G HA2 -0.337 3.624 3.960 0.001 0.000 0.216 390 G HA3 -0.337 3.624 3.960 0.001 0.000 0.216 390 G C 1.660 176.333 174.900 -0.378 0.000 1.200 390 G CA 0.867 45.777 45.100 -0.316 0.000 0.782 390 G HN 0.527 nan 8.290 nan 0.000 0.554 391 A N 0.529 123.003 122.820 -0.577 0.000 1.927 391 A HA -0.151 4.169 4.320 0.001 0.000 0.220 391 A C 2.196 179.651 177.584 -0.215 0.000 1.185 391 A CA 2.235 53.950 52.037 -0.538 0.000 0.639 391 A CB -0.506 18.170 19.000 -0.540 0.000 0.820 391 A HN 0.500 nan 8.150 nan 0.000 0.451 392 E N -0.665 119.423 120.200 -0.186 0.000 2.015 392 E HA -0.130 4.220 4.350 0.001 0.000 0.191 392 E C 2.150 178.687 176.600 -0.106 0.000 0.991 392 E CA 1.676 58.001 56.400 -0.125 0.000 0.802 392 E CB -0.350 29.275 29.700 -0.125 0.000 0.759 392 E HN 0.638 nan 8.360 nan 0.000 0.447 393 V N -0.308 119.535 119.914 -0.119 0.000 2.867 393 V HA -0.119 4.002 4.120 0.001 0.000 0.260 393 V C 1.888 177.935 176.094 -0.079 0.000 1.099 393 V CA 1.228 63.472 62.300 -0.093 0.000 1.122 393 V CB -0.491 31.273 31.823 -0.098 0.000 0.708 393 V HN 0.183 nan 8.190 nan 0.000 0.490 394 L N -1.274 119.894 121.223 -0.093 0.000 2.599 394 L HA 0.299 4.639 4.340 0.001 0.000 0.230 394 L C 1.789 178.650 176.870 -0.015 0.000 1.141 394 L CA 0.742 55.547 54.840 -0.058 0.000 0.877 394 L CB 0.171 42.182 42.059 -0.079 0.000 1.009 394 L HN 0.366 nan 8.230 nan 0.000 0.447 395 I N -1.681 118.876 120.570 -0.022 0.000 3.990 395 I HA -0.083 4.087 4.170 0.001 0.000 0.275 395 I C 1.828 177.938 176.117 -0.011 0.000 1.157 395 I CA 0.127 61.427 61.300 0.000 0.000 1.338 395 I CB 0.159 38.166 38.000 0.012 0.000 1.588 395 I HN 0.005 nan 8.210 nan 0.000 0.441 396 K N 1.518 121.899 120.400 -0.031 0.000 2.361 396 K HA 0.335 4.655 4.320 0.001 0.000 0.194 396 K C 1.147 177.730 176.600 -0.028 0.000 1.032 396 K CA 0.832 57.101 56.287 -0.030 0.000 1.048 396 K CB 0.691 33.163 32.500 -0.046 0.000 0.842 396 K HN 0.278 nan 8.250 nan 0.000 0.526 397 G N 1.912 110.690 108.800 -0.035 0.000 2.225 397 G HA2 -0.265 3.695 3.960 0.001 0.000 0.264 397 G HA3 -0.265 3.695 3.960 0.001 0.000 0.264 397 G C -0.195 174.681 174.900 -0.041 0.000 1.060 397 G CA 0.372 45.451 45.100 -0.035 0.000 0.833 397 G HN 0.758 nan 8.290 nan 0.000 0.498 398 S N -2.353 113.316 115.700 -0.051 0.000 2.715 398 S HA 0.499 4.969 4.470 0.001 0.000 0.290 398 S C -0.984 173.580 174.600 -0.059 0.000 1.008 398 S CA -0.424 57.745 58.200 -0.053 0.000 0.850 398 S CB 1.435 64.612 63.200 -0.038 0.000 1.059 398 S HN 0.937 nan 8.310 nan 0.000 0.455 399 K N 1.252 121.613 120.400 -0.065 0.000 2.211 399 K HA 0.555 4.875 4.320 0.001 0.000 0.275 399 K C -0.842 175.743 176.600 -0.024 0.000 1.024 399 K CA -0.956 55.292 56.287 -0.065 0.000 0.887 399 K CB 0.806 33.245 32.500 -0.102 0.000 1.084 399 K HN 0.633 nan 8.250 nan 0.000 0.463 400 L N 4.805 126.041 121.223 0.021 0.000 2.361 400 L HA 0.117 4.458 4.340 0.001 0.000 0.278 400 L C -0.328 176.600 176.870 0.097 0.000 1.113 400 L CA 0.502 55.384 54.840 0.070 0.000 0.849 400 L CB 0.593 42.733 42.059 0.136 0.000 1.155 400 L HN 0.732 nan 8.230 nan 0.000 0.452 401 S N 4.370 120.091 115.700 0.035 0.000 2.552 401 S HA 0.001 4.472 4.470 0.001 0.000 0.289 401 S C 1.230 175.831 174.600 0.001 0.000 1.304 401 S CA -0.445 57.760 58.200 0.008 0.000 1.063 401 S CB 0.482 63.656 63.200 -0.044 0.000 0.848 401 S HN 0.753 nan 8.310 nan 0.000 0.499 402 L N 3.983 125.203 121.223 -0.004 0.000 2.129 402 L HA 0.049 4.389 4.340 0.001 0.000 0.212 402 L C 2.266 178.819 176.870 -0.528 0.000 1.087 402 L CA 2.384 57.115 54.840 -0.182 0.000 0.757 402 L CB -1.386 40.564 42.059 -0.181 0.000 0.896 402 L HN 0.985 nan 8.230 nan 0.000 0.434 403 G N -1.625 106.932 108.800 -0.406 0.000 2.422 403 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 403 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 403 G C 1.458 176.223 174.900 -0.225 0.000 1.140 403 G CA 0.373 45.230 45.100 -0.406 0.000 0.775 403 G HN 0.378 nan 8.290 nan 0.000 0.545 404 E N 0.806 120.921 120.200 -0.143 0.000 2.150 404 E HA -0.033 4.317 4.350 0.001 0.000 0.193 404 E C 2.880 179.421 176.600 -0.099 0.000 0.985 404 E CA 0.886 57.239 56.400 -0.079 0.000 0.814 404 E CB -0.265 29.413 29.700 -0.036 0.000 0.752 404 E HN 0.363 nan 8.360 nan 0.000 0.466 405 A N 0.977 123.724 122.820 -0.121 0.000 1.855 405 A HA -0.158 4.162 4.320 0.001 0.000 0.215 405 A C 1.946 179.445 177.584 -0.142 0.000 1.191 405 A CA 1.101 52.987 52.037 -0.251 0.000 0.613 405 A CB -0.783 18.157 19.000 -0.101 0.000 0.829 405 A HN 0.140 nan 8.150 nan 0.000 0.442 406 F N 0.670 120.469 119.950 -0.252 0.000 2.154 406 F HA -0.152 4.376 4.527 0.000 0.000 0.301 406 F C 2.210 177.901 175.800 -0.180 0.000 1.087 406 F CA 1.233 59.113 58.000 -0.200 0.000 1.274 406 F CB -0.763 38.160 39.000 -0.129 0.000 1.009 406 F HN 0.248 nan 8.300 nan 0.000 0.485 407 K N 0.214 120.637 120.400 0.038 0.000 2.057 407 K HA -0.167 4.154 4.320 0.001 0.000 0.207 407 K C 2.052 178.613 176.600 -0.064 0.000 1.049 407 K CA 1.268 57.545 56.287 -0.016 0.000 0.931 407 K CB -0.186 32.298 32.500 -0.026 0.000 0.714 407 K HN 0.248 nan 8.250 nan 0.000 0.440 408 K N 0.724 121.043 120.400 -0.136 0.000 2.062 408 K HA -0.020 4.300 4.320 0.001 0.000 0.205 408 K C 2.167 178.666 176.600 -0.168 0.000 1.051 408 K CA 0.927 57.119 56.287 -0.159 0.000 0.941 408 K CB -0.076 32.272 32.500 -0.254 0.000 0.719 408 K HN 0.087 nan 8.250 nan 0.000 0.440 409 I N 1.719 122.140 120.570 -0.248 0.000 2.163 409 I HA -0.298 3.872 4.170 0.001 0.000 0.243 409 I C 1.630 177.672 176.117 -0.124 0.000 1.085 409 I CA 1.308 62.494 61.300 -0.191 0.000 1.347 409 I CB -0.296 37.562 38.000 -0.237 0.000 1.044 409 I HN 0.162 nan 8.210 nan 0.000 0.408 410 D N 0.867 121.204 120.400 -0.106 0.000 2.310 410 D HA -0.077 4.563 4.640 0.001 0.000 0.212 410 D C 2.140 178.406 176.300 -0.057 0.000 0.965 410 D CA 1.163 55.115 54.000 -0.079 0.000 0.879 410 D CB 0.108 40.873 40.800 -0.058 0.000 0.921 410 D HN 0.366 nan 8.370 nan 0.000 0.510 411 A N 1.013 123.802 122.820 -0.052 0.000 1.897 411 A HA -0.035 4.285 4.320 0.001 0.000 0.215 411 A C 1.357 178.924 177.584 -0.028 0.000 1.181 411 A CA 0.094 52.112 52.037 -0.032 0.000 0.620 411 A CB -0.473 18.513 19.000 -0.024 0.000 0.821 411 A HN 0.165 nan 8.150 nan 0.000 0.443 412 I N 2.250 122.800 120.570 -0.033 0.000 2.906 412 I HA -0.044 4.126 4.170 0.001 0.000 0.301 412 I C 0.885 176.983 176.117 -0.032 0.000 1.221 412 I CA 0.474 61.757 61.300 -0.028 0.000 1.435 412 I CB 0.027 38.003 38.000 -0.041 0.000 1.345 412 I HN 0.443 nan 8.210 nan 0.000 0.558 413 T N 2.038 116.579 114.554 -0.021 0.000 2.949 413 T HA 0.358 4.708 4.350 0.001 0.000 0.287 413 T C 1.052 175.741 174.700 -0.019 0.000 1.034 413 T CA -0.960 61.127 62.100 -0.021 0.000 1.018 413 T CB 1.933 70.793 68.868 -0.013 0.000 1.135 413 T HN 0.230 nan 8.240 nan 0.000 0.532 414 V N 1.172 121.074 119.914 -0.019 0.000 2.282 414 V HA -0.176 3.944 4.120 0.001 0.000 0.249 414 V C 2.889 178.981 176.094 -0.004 0.000 1.057 414 V CA 2.267 64.558 62.300 -0.015 0.000 1.032 414 V CB -0.838 30.976 31.823 -0.015 0.000 0.645 414 V HN 1.006 nan 8.190 nan 0.000 0.447 415 K N -0.482 119.915 120.400 -0.005 0.000 2.113 415 K HA -0.255 4.065 4.320 0.001 0.000 0.208 415 K C 1.859 178.466 176.600 0.013 0.000 1.047 415 K CA 1.949 58.236 56.287 -0.001 0.000 0.928 415 K CB -0.220 32.277 32.500 -0.004 0.000 0.716 415 K HN 0.500 nan 8.250 nan 0.000 0.446 416 D N 0.016 120.426 120.400 0.016 0.000 2.097 416 D HA -0.138 4.502 4.640 0.001 0.000 0.195 416 D C 1.952 178.292 176.300 0.066 0.000 0.989 416 D CA 1.138 55.158 54.000 0.035 0.000 0.827 416 D CB -0.234 40.577 40.800 0.018 0.000 0.966 416 D HN 0.016 nan 8.370 nan 0.000 0.456 417 V N 1.425 121.365 119.914 0.043 0.000 2.392 417 V HA -0.254 3.866 4.120 0.001 0.000 0.249 417 V C 2.327 178.507 176.094 0.144 0.000 1.059 417 V CA 1.604 63.952 62.300 0.079 0.000 1.051 417 V CB -0.395 31.441 31.823 0.021 0.000 0.658 417 V HN 0.201 nan 8.190 nan 0.000 0.455 418 K N 0.267 120.710 120.400 0.072 0.000 2.057 418 K HA -0.088 4.233 4.320 0.001 0.000 0.206 418 K C 2.359 178.969 176.600 0.016 0.000 1.050 418 K CA 1.408 57.716 56.287 0.035 0.000 0.935 418 K CB -0.418 32.077 32.500 -0.009 0.000 0.715 418 K HN 0.475 nan 8.250 nan 0.000 0.439 419 A N 1.067 123.908 122.820 0.035 0.000 1.877 419 A HA -0.202 4.118 4.320 0.001 0.000 0.216 419 A C 1.964 179.564 177.584 0.028 0.000 1.186 419 A CA 1.406 53.453 52.037 0.018 0.000 0.620 419 A CB -0.991 18.032 19.000 0.038 0.000 0.822 419 A HN 0.603 nan 8.150 nan 0.000 0.443 420 W N 0.744 121.998 121.300 -0.077 0.000 2.335 420 W HA -0.167 4.494 4.660 0.001 0.000 0.311 420 W C 2.395 178.825 176.519 -0.148 0.000 1.213 420 W CA 2.423 59.705 57.345 -0.105 0.000 1.274 420 W CB -0.269 29.121 29.460 -0.117 0.000 1.148 420 W HN 0.347 nan 8.180 nan 0.000 0.498 421 A N 0.574 123.320 122.820 -0.122 0.000 1.933 421 A HA -0.023 4.298 4.320 0.001 0.000 0.218 421 A C 2.225 179.640 177.584 -0.281 0.000 1.175 421 A CA 1.873 53.699 52.037 -0.350 0.000 0.628 421 A CB -1.671 17.316 19.000 -0.022 0.000 0.814 421 A HN 0.447 nan 8.150 nan 0.000 0.444 422 G N -0.606 108.093 108.800 -0.168 0.000 2.432 422 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 422 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 422 G C 1.667 176.490 174.900 -0.127 0.000 1.135 422 G CA 1.433 46.458 45.100 -0.125 0.000 0.767 422 G HN 0.480 nan 8.290 nan 0.000 0.550 423 K N -0.172 120.092 120.400 -0.227 0.000 2.020 423 K HA 0.213 4.533 4.320 0.001 0.000 0.206 423 K C 2.625 179.030 176.600 -0.325 0.000 1.038 423 K CA 0.572 56.725 56.287 -0.223 0.000 0.947 423 K CB -0.234 32.137 32.500 -0.215 0.000 0.744 423 K HN -0.032 nan 8.250 nan 0.000 0.442 424 R N -0.212 119.909 120.500 -0.632 0.000 2.075 424 R HA 0.032 4.372 4.340 0.001 0.000 0.232 424 R C 1.942 177.866 176.300 -0.626 0.000 1.126 424 R CA 1.084 56.721 56.100 -0.771 0.000 0.963 424 R CB -0.449 28.959 30.300 -1.485 0.000 0.858 424 R HN 0.080 nan 8.270 nan 0.000 0.435 425 L N -1.720 119.123 121.223 -0.634 0.000 2.347 425 L HA 0.156 4.497 4.340 0.001 0.000 0.196 425 L C 0.131 176.940 176.870 -0.102 0.000 1.072 425 L CA 0.468 55.075 54.840 -0.387 0.000 0.817 425 L CB -0.487 41.283 42.059 -0.482 0.000 1.029 425 L HN 0.227 nan 8.230 nan 0.000 0.478 426 W N 2.572 123.747 121.300 -0.208 0.000 2.505 426 W HA -0.053 4.607 4.660 0.001 0.000 0.332 426 W C 0.368 176.840 176.519 -0.077 0.000 1.434 426 W CA 0.753 58.034 57.345 -0.107 0.000 1.320 426 W CB 0.074 29.477 29.460 -0.094 0.000 1.363 426 W HN 0.431 nan 8.180 nan 0.000 0.565 427 D N 3.120 123.251 120.400 -0.447 0.000 2.697 427 D HA -0.223 4.418 4.640 0.001 0.000 0.235 427 D C -0.511 175.734 176.300 -0.091 0.000 1.167 427 D CA 1.107 54.929 54.000 -0.297 0.000 0.656 427 D CB -0.505 40.148 40.800 -0.246 0.000 1.025 427 D HN 0.325 nan 8.370 nan 0.000 0.419 428 Q N 0.410 120.169 119.800 -0.069 0.000 2.351 428 Q HA 0.387 4.727 4.340 0.001 0.000 0.273 428 Q C 0.024 176.057 176.000 0.055 0.000 1.077 428 Q CA -0.682 55.116 55.803 -0.007 0.000 0.843 428 Q CB 1.226 29.935 28.738 -0.049 0.000 1.367 428 Q HN 0.208 nan 8.270 nan 0.000 0.449 429 D N 1.153 121.641 120.400 0.147 0.000 2.362 429 D HA 0.290 4.930 4.640 0.001 0.000 0.238 429 D C 0.245 176.762 176.300 0.363 0.000 1.212 429 D CA 0.305 54.471 54.000 0.277 0.000 0.902 429 D CB 0.560 41.572 40.800 0.352 0.000 1.180 429 D HN 0.433 nan 8.370 nan 0.000 0.445 430 I N -3.241 117.589 120.570 0.434 0.000 2.994 430 I HA 0.716 4.886 4.170 0.001 0.000 0.306 430 I C -1.304 175.095 176.117 0.471 0.000 1.195 430 I CA -1.341 60.227 61.300 0.447 0.000 1.001 430 I CB 2.221 40.365 38.000 0.240 0.000 1.244 430 I HN 0.253 nan 8.210 nan 0.000 0.437 431 A N 4.931 128.002 122.820 0.419 0.000 2.318 431 A HA 0.881 5.202 4.320 0.001 0.000 0.324 431 A C -0.722 177.004 177.584 0.237 0.000 1.170 431 A CA -0.592 51.579 52.037 0.223 0.000 0.810 431 A CB 0.758 19.816 19.000 0.097 0.000 1.198 431 A HN 0.668 nan 8.150 nan 0.000 0.484 432 I N 1.314 122.005 120.570 0.202 0.000 2.608 432 I HA 0.719 4.889 4.170 0.001 0.000 0.295 432 I C 0.145 176.334 176.117 0.120 0.000 1.049 432 I CA -0.615 60.788 61.300 0.171 0.000 1.063 432 I CB 2.290 40.400 38.000 0.183 0.000 1.248 432 I HN 0.725 nan 8.210 nan 0.000 0.424 433 A N 3.599 126.481 122.820 0.105 0.000 2.488 433 A HA 0.938 5.258 4.320 0.001 0.000 0.298 433 A C -0.690 176.936 177.584 0.068 0.000 1.044 433 A CA -0.467 51.620 52.037 0.084 0.000 0.693 433 A CB 1.927 20.996 19.000 0.114 0.000 1.272 433 A HN 0.923 nan 8.150 nan 0.000 0.402 434 G N -0.481 108.344 108.800 0.041 0.000 2.698 434 G HA2 0.724 4.684 3.960 0.001 0.000 0.293 434 G HA3 0.724 4.684 3.960 0.001 0.000 0.293 434 G C -1.119 173.803 174.900 0.037 0.000 1.437 434 G CA 0.132 45.265 45.100 0.055 0.000 0.852 434 G HN 1.130 nan 8.290 nan 0.000 0.499 435 T N -1.325 113.290 114.554 0.100 0.000 2.868 435 T HA 0.798 5.148 4.350 0.001 0.000 0.306 435 T C 0.397 175.218 174.700 0.201 0.000 1.224 435 T CA 1.400 63.553 62.100 0.088 0.000 1.012 435 T CB 1.190 70.073 68.868 0.026 0.000 1.221 435 T HN 2.625 nan 8.240 nan 0.000 0.499 436 G N 2.263 111.142 108.800 0.132 0.000 2.545 436 G HA2 -0.149 3.811 3.960 0.001 0.000 0.216 436 G HA3 -0.149 3.811 3.960 0.001 0.000 0.216 436 G C -0.558 174.380 174.900 0.064 0.000 1.314 436 G CA -0.266 44.931 45.100 0.162 0.000 0.906 436 G HN 0.875 nan 8.290 nan 0.000 0.563 437 Q N 0.783 120.594 119.800 0.018 0.000 2.962 437 Q HA 0.335 4.675 4.340 0.001 0.000 0.251 437 Q C 1.335 177.320 176.000 -0.025 0.000 1.380 437 Q CA 0.491 56.285 55.803 -0.015 0.000 0.926 437 Q CB -0.537 28.178 28.738 -0.038 0.000 1.704 437 Q HN 0.621 nan 8.270 nan 0.000 0.563 438 I N -2.321 118.245 120.570 -0.007 0.000 3.874 438 I HA 0.135 4.306 4.170 0.001 0.000 0.331 438 I C 1.348 177.456 176.117 -0.015 0.000 1.489 438 I CA -0.166 61.127 61.300 -0.011 0.000 1.187 438 I CB 0.043 38.048 38.000 0.007 0.000 1.150 438 I HN 0.334 nan 8.210 nan 0.000 0.412 439 E N 2.426 122.615 120.200 -0.019 0.000 2.204 439 E HA -0.140 4.210 4.350 0.001 0.000 0.195 439 E C 2.093 178.677 176.600 -0.028 0.000 0.990 439 E CA 1.300 57.688 56.400 -0.020 0.000 0.821 439 E CB -0.046 29.642 29.700 -0.020 0.000 0.750 439 E HN 0.663 nan 8.360 nan 0.000 0.477 440 G N 0.870 109.648 108.800 -0.036 0.000 2.920 440 G HA2 -0.005 3.956 3.960 0.001 0.000 0.208 440 G HA3 -0.005 3.956 3.960 0.001 0.000 0.208 440 G C 0.310 175.181 174.900 -0.049 0.000 1.159 440 G CA -0.322 44.750 45.100 -0.047 0.000 0.784 440 G HN 0.202 nan 8.290 nan 0.000 0.535 441 L N 1.637 122.838 121.223 -0.037 0.000 2.283 441 L HA 0.499 4.839 4.340 0.001 0.000 0.287 441 L C 0.018 176.869 176.870 -0.031 0.000 1.073 441 L CA -0.781 54.038 54.840 -0.034 0.000 0.822 441 L CB 0.542 42.592 42.059 -0.015 0.000 1.186 441 L HN -0.151 nan 8.230 nan 0.000 0.436 442 L N 4.125 125.319 121.223 -0.047 0.000 2.473 442 L HA 0.100 4.440 4.340 0.001 0.000 0.265 442 L C 0.637 177.493 176.870 -0.023 0.000 1.243 442 L CA 0.278 55.090 54.840 -0.046 0.000 0.822 442 L CB -0.076 41.939 42.059 -0.073 0.000 1.101 442 L HN 0.778 nan 8.230 nan 0.000 0.507 443 D N -0.429 119.963 120.400 -0.013 0.000 2.406 443 D HA -0.195 4.445 4.640 0.001 0.000 0.234 443 D C 0.971 177.295 176.300 0.039 0.000 1.196 443 D CA -0.098 53.917 54.000 0.025 0.000 0.881 443 D CB 0.363 41.177 40.800 0.024 0.000 1.205 443 D HN 0.542 nan 8.370 nan 0.000 0.453 444 Y N 0.729 121.019 120.300 -0.017 0.000 2.081 444 Y HA -0.266 4.284 4.550 0.001 0.000 0.280 444 Y C 2.536 178.428 175.900 -0.014 0.000 1.163 444 Y CA 1.840 59.934 58.100 -0.009 0.000 1.135 444 Y CB -0.099 38.358 38.460 -0.005 0.000 0.970 444 Y HN 0.218 nan 8.280 nan 0.000 0.498 445 M N -0.060 119.596 119.600 0.094 0.000 2.267 445 M HA -0.212 4.269 4.480 0.001 0.000 0.263 445 M C 2.089 178.335 176.300 -0.090 0.000 1.063 445 M CA 1.447 56.749 55.300 0.004 0.000 1.090 445 M CB -0.939 31.696 32.600 0.058 0.000 1.392 445 M HN 0.262 nan 8.290 nan 0.000 0.422 446 R N 0.085 120.532 120.500 -0.088 0.000 2.062 446 R HA 0.042 4.382 4.340 0.001 0.000 0.229 446 R C 2.117 178.328 176.300 -0.148 0.000 1.128 446 R CA 1.160 57.195 56.100 -0.108 0.000 0.960 446 R CB -0.646 29.597 30.300 -0.095 0.000 0.855 446 R HN 0.406 nan 8.270 nan 0.000 0.432 447 I N 0.212 120.674 120.570 -0.180 0.000 2.252 447 I HA -0.239 3.931 4.170 0.001 0.000 0.245 447 I C 2.535 178.502 176.117 -0.251 0.000 1.102 447 I CA 0.959 62.137 61.300 -0.203 0.000 1.385 447 I CB -0.314 37.570 38.000 -0.194 0.000 1.064 447 I HN 0.028 nan 8.210 nan 0.000 0.414 448 R N 1.555 121.832 120.500 -0.372 0.000 2.117 448 R HA -0.155 4.185 4.340 0.001 0.000 0.243 448 R C 2.206 178.381 176.300 -0.210 0.000 1.143 448 R CA 2.093 57.981 56.100 -0.354 0.000 0.968 448 R CB -0.731 29.297 30.300 -0.452 0.000 0.863 448 R HN 0.203 nan 8.270 nan 0.000 0.444 449 S N 0.680 116.273 115.700 -0.178 0.000 2.368 449 S HA -0.111 4.359 4.470 0.001 0.000 0.225 449 S C 1.197 175.695 174.600 -0.170 0.000 1.030 449 S CA 1.383 59.494 58.200 -0.149 0.000 0.999 449 S CB -0.370 62.760 63.200 -0.117 0.000 0.844 449 S HN 0.412 nan 8.310 nan 0.000 0.459 450 D N 1.031 121.334 120.400 -0.162 0.000 2.384 450 D HA -0.008 4.632 4.640 0.001 0.000 0.222 450 D C 1.198 177.371 176.300 -0.212 0.000 0.976 450 D CA 0.463 54.369 54.000 -0.158 0.000 0.915 450 D CB -0.133 40.590 40.800 -0.129 0.000 0.896 450 D HN 0.257 nan 8.370 nan 0.000 0.523 451 M N 0.079 119.539 119.600 -0.232 0.000 2.700 451 M HA -0.034 4.446 4.480 0.001 0.000 0.249 451 M C 0.756 176.716 176.300 -0.568 0.000 1.082 451 M CA 0.496 55.636 55.300 -0.266 0.000 1.077 451 M CB -0.855 31.623 32.600 -0.203 0.000 1.477 451 M HN -0.087 nan 8.290 nan 0.000 0.529 452 S N -1.417 113.902 115.700 -0.634 0.000 2.819 452 S HA 0.849 5.319 4.470 0.001 0.000 0.299 452 S C -0.469 173.831 174.600 -0.501 0.000 1.192 452 S CA -1.094 56.451 58.200 -1.092 0.000 0.847 452 S CB 2.466 64.983 63.200 -1.138 0.000 1.224 452 S HN 0.196 nan 8.310 nan 0.000 0.537 453 M N 0.833 120.272 119.600 -0.269 0.000 2.575 453 M HA 0.460 4.940 4.480 0.001 0.000 0.284 453 M C -0.988 175.398 176.300 0.142 0.000 1.253 453 M CA -0.823 54.505 55.300 0.045 0.000 0.861 453 M CB 2.058 34.780 32.600 0.203 0.000 1.733 453 M HN 0.497 nan 8.290 nan 0.000 0.462 454 M N 1.561 121.225 119.600 0.106 0.000 2.245 454 M HA 0.390 4.870 4.480 0.001 0.000 0.330 454 M C -0.291 176.103 176.300 0.156 0.000 1.098 454 M CA 0.822 56.189 55.300 0.111 0.000 1.172 454 M CB -0.037 32.614 32.600 0.085 0.000 1.467 454 M HN 0.643 nan 8.290 nan 0.000 0.454 455 R N -0.090 120.498 120.500 0.147 0.000 2.764 455 R HA 0.413 4.753 4.340 0.001 0.000 0.270 455 R C -1.017 175.392 176.300 0.181 0.000 1.014 455 R CA -0.778 55.425 56.100 0.172 0.000 0.904 455 R CB 2.373 32.767 30.300 0.156 0.000 1.236 455 R HN 0.747 nan 8.270 nan 0.000 0.466 456 W N 0.000 121.320 121.300 0.033 0.000 2.388 456 W HA 0.000 4.661 4.660 0.001 0.000 0.303 456 W CA 0.000 57.359 57.345 0.023 0.000 1.226 456 W CB 0.000 29.470 29.460 0.017 0.000 1.126 456 W HN 0.000 nan 8.180 nan 0.000 0.535