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 1z8l_1_B DATA FIRST_RESID 56 DATA SEQUENCE HNMKAFLDEL KAENIKKFLY NFTQIPHLAG TEQNFQLAKQ IQSQWKEFGL DATA SEQUENCE DSVELAHYDV LLSYPNKTHP NYISIINEDG NEIFNTSLFE PPPPGYENVS DATA SEQUENCE DIVPPFSAFS PQGMPEGDLV YVNYARTEDF FKLERDMKIN CSGKIVIARY DATA SEQUENCE GKVFRGNKVK NAQLAGAKGV ILYSDPADYF APGVKSYPDG WNLPGGGVQR DATA SEQUENCE GNILNLNGAG DPLTPGYPAN EYAYRRGIAE AVGLPSIPVH PIGYYDAQKL DATA SEQUENCE LEKMGGSAPP DSSWRGSLKV PYNVGPGFTG NFSTQKVKMH IHSTNEVTRI DATA SEQUENCE YNVIGTLRGA VEPDRYVILG GHRDSWVFGG IDPQSGAAVV HEIVRSFGTL DATA SEQUENCE KKEGWRPRRT ILFASWDAEE FGLLGSTEWA EENSRLLQER GVAYINADSS DATA SEQUENCE IEGNYTLRVD CTPLMYSLVH NLTKELKSPD EGFEGKSLYE SWTKKSPSPE DATA SEQUENCE FSGMPRISKL GSGNDFEVFF QRLGIASGRA RYTKNWETNK FSGYPLYHSV DATA SEQUENCE YETYELVEKF YDPMFKYHLT VAQVRGGMVF ELANSIVLPF DCRDYAVVLR DATA SEQUENCE KYADKIYSIS MKHPQEMKTY SVSFDSLFSA VKNFTEIASK FSERLQDFDK DATA SEQUENCE SNPIVLRMMN DQLMFLERAF IDPLGLPDRP FYRHVIYAPS SHNKYAGESF DATA SEQUENCE PGIYDALFDI ESKVDPSKAW GEVKRQIYVA AFTVQAAAET LSEVA 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 56 H HA 0.000 nan 4.556 nan 0.000 0.296 56 H C 0.000 175.325 175.328 -0.006 0.000 0.993 56 H CA 0.000 56.020 56.048 -0.046 0.000 1.023 56 H CB 0.000 29.729 29.762 -0.055 0.000 1.292 57 N N -0.192 118.602 118.700 0.156 0.000 4.919 57 N HA 0.011 4.746 4.740 -0.008 0.000 0.180 57 N C 0.742 176.273 175.510 0.036 0.000 1.062 57 N CA 0.651 53.828 53.050 0.212 0.000 1.028 57 N CB -0.073 38.574 38.487 0.266 0.000 1.574 57 N HN 0.121 nan 8.380 nan 0.000 0.679 58 M N 2.777 122.422 119.600 0.075 0.000 2.240 58 M HA -0.293 4.182 4.480 -0.008 0.000 0.250 58 M C 1.033 177.152 176.300 -0.302 0.000 1.075 58 M CA 2.083 57.141 55.300 -0.404 0.000 1.072 58 M CB -0.253 32.362 32.600 0.025 0.000 1.305 58 M HN 0.595 nan 8.290 nan 0.000 0.414 59 K N 0.304 120.632 120.400 -0.119 0.000 1.965 59 K HA -0.119 4.197 4.320 -0.008 0.000 0.218 59 K C 2.155 178.649 176.600 -0.178 0.000 1.048 59 K CA 1.841 58.057 56.287 -0.118 0.000 0.960 59 K CB -1.600 30.860 32.500 -0.066 0.000 0.732 59 K HN 0.567 nan 8.250 nan 0.000 0.444 60 A N 1.611 124.326 122.820 -0.175 0.000 1.957 60 A HA -0.281 4.034 4.320 -0.008 0.000 0.224 60 A C 2.156 179.599 177.584 -0.236 0.000 1.287 60 A CA 2.422 54.321 52.037 -0.229 0.000 0.682 60 A CB -1.107 17.734 19.000 -0.265 0.000 0.833 60 A HN 0.415 nan 8.150 nan 0.000 0.482 61 F N 0.413 120.106 119.950 -0.429 0.000 2.051 61 F HA -0.142 4.380 4.527 -0.007 0.000 0.296 61 F C 2.032 177.581 175.800 -0.418 0.000 1.122 61 F CA 1.965 59.662 58.000 -0.504 0.000 1.201 61 F CB -0.615 37.907 39.000 -0.795 0.000 0.978 61 F HN 0.181 nan 8.300 nan 0.000 0.472 62 L N 0.149 121.024 121.223 -0.580 0.000 1.989 62 L HA -0.272 4.063 4.340 -0.008 0.000 0.211 62 L C 2.160 178.761 176.870 -0.448 0.000 1.071 62 L CA 2.014 56.513 54.840 -0.569 0.000 0.749 62 L CB -1.119 40.785 42.059 -0.258 0.000 0.890 62 L HN 0.101 nan 8.230 nan 0.000 0.431 63 D N -0.363 119.850 120.400 -0.312 0.000 2.228 63 D HA -0.227 4.409 4.640 -0.008 0.000 0.203 63 D C 2.028 178.170 176.300 -0.263 0.000 0.988 63 D CA 0.984 54.840 54.000 -0.240 0.000 0.864 63 D CB -0.038 40.649 40.800 -0.188 0.000 0.928 63 D HN 0.221 nan 8.370 nan 0.000 0.469 64 E N -0.131 119.867 120.200 -0.336 0.000 2.427 64 E HA 0.028 4.373 4.350 -0.008 0.000 0.196 64 E C -0.006 176.392 176.600 -0.337 0.000 1.028 64 E CA 0.051 56.266 56.400 -0.310 0.000 0.864 64 E CB -0.024 29.493 29.700 -0.306 0.000 0.813 64 E HN 0.263 nan 8.360 nan 0.000 0.514 65 L N 2.592 123.571 121.223 -0.408 0.000 2.363 65 L HA 0.156 4.491 4.340 -0.008 0.000 0.286 65 L C 0.059 176.794 176.870 -0.225 0.000 1.106 65 L CA -0.217 54.416 54.840 -0.345 0.000 0.859 65 L CB 0.280 42.097 42.059 -0.404 0.000 1.223 65 L HN -0.143 nan 8.230 nan 0.000 0.446 66 K N 2.148 122.431 120.400 -0.195 0.000 2.110 66 K HA 0.410 4.726 4.320 -0.008 0.000 0.263 66 K C 0.698 177.204 176.600 -0.158 0.000 0.975 66 K CA -0.340 55.846 56.287 -0.169 0.000 0.895 66 K CB 1.956 34.348 32.500 -0.180 0.000 1.060 66 K HN 0.494 nan 8.250 nan 0.000 0.448 67 A N 2.090 124.830 122.820 -0.133 0.000 1.929 67 A HA -0.100 4.216 4.320 -0.008 0.000 0.216 67 A C 1.560 178.985 177.584 -0.266 0.000 1.176 67 A CA 0.983 52.947 52.037 -0.121 0.000 0.628 67 A CB -0.166 18.812 19.000 -0.036 0.000 0.816 67 A HN 0.714 nan 8.150 nan 0.000 0.444 68 E N 0.393 120.439 120.200 -0.257 0.000 2.331 68 E HA -0.169 4.176 4.350 -0.008 0.000 0.199 68 E C 1.295 177.636 176.600 -0.431 0.000 1.008 68 E CA 1.151 57.360 56.400 -0.318 0.000 0.843 68 E CB -0.308 29.255 29.700 -0.229 0.000 0.761 68 E HN 0.756 nan 8.360 nan 0.000 0.507 69 N N 0.403 118.822 118.700 -0.469 0.000 2.258 69 N HA 0.015 4.750 4.740 -0.008 0.000 0.183 69 N C 1.986 176.934 175.510 -0.937 0.000 1.029 69 N CA 0.458 53.038 53.050 -0.784 0.000 0.857 69 N CB -0.038 38.051 38.487 -0.665 0.000 1.008 69 N HN 0.092 nan 8.380 nan 0.000 0.433 70 I N 1.279 121.599 120.570 -0.417 0.000 2.264 70 I HA -0.298 3.867 4.170 -0.008 0.000 0.248 70 I C 2.135 178.089 176.117 -0.272 0.000 1.111 70 I CA 1.454 62.715 61.300 -0.065 0.000 1.382 70 I CB 0.006 38.086 38.000 0.133 0.000 1.060 70 I HN 0.139 nan 8.210 nan 0.000 0.418 71 K N 1.393 121.331 120.400 -0.770 0.000 2.001 71 K HA -0.271 4.044 4.320 -0.008 0.000 0.208 71 K C 2.353 178.667 176.600 -0.476 0.000 1.048 71 K CA 1.693 57.224 56.287 -1.260 0.000 0.932 71 K CB -0.315 31.235 32.500 -1.583 0.000 0.715 71 K HN 0.283 nan 8.250 nan 0.000 0.437 72 K N 0.262 120.372 120.400 -0.483 0.000 2.020 72 K HA -0.183 4.132 4.320 -0.008 0.000 0.212 72 K C 2.056 178.520 176.600 -0.226 0.000 1.050 72 K CA 1.985 58.061 56.287 -0.351 0.000 0.929 72 K CB -0.342 31.867 32.500 -0.485 0.000 0.714 72 K HN 0.219 nan 8.250 nan 0.000 0.443 73 F N 0.889 120.680 119.950 -0.264 0.000 2.069 73 F HA -0.278 4.245 4.527 -0.007 0.000 0.298 73 F C 2.462 177.922 175.800 -0.567 0.000 1.113 73 F CA 0.418 58.107 58.000 -0.519 0.000 1.214 73 F CB -0.452 38.308 39.000 -0.399 0.000 0.978 73 F HN 0.108 nan 8.300 nan 0.000 0.474 74 L N -0.187 121.064 121.223 0.047 0.000 2.089 74 L HA -0.303 4.032 4.340 -0.008 0.000 0.213 74 L C 2.163 179.167 176.870 0.223 0.000 1.079 74 L CA 1.783 56.772 54.840 0.248 0.000 0.758 74 L CB -1.081 41.262 42.059 0.473 0.000 0.891 74 L HN 0.218 nan 8.230 nan 0.000 0.433 75 Y N 0.013 120.239 120.300 -0.124 0.000 2.220 75 Y HA -0.194 4.352 4.550 -0.008 0.000 0.291 75 Y C 2.572 178.352 175.900 -0.200 0.000 1.129 75 Y CA 1.807 59.662 58.100 -0.407 0.000 1.161 75 Y CB -0.557 37.505 38.460 -0.662 0.000 0.997 75 Y HN 0.397 nan 8.280 nan 0.000 0.522 76 N N -0.009 118.502 118.700 -0.314 0.000 2.309 76 N HA -0.180 4.555 4.740 -0.008 0.000 0.182 76 N C 1.563 177.049 175.510 -0.040 0.000 1.018 76 N CA 1.288 54.155 53.050 -0.305 0.000 0.876 76 N CB -0.442 37.885 38.487 -0.267 0.000 0.972 76 N HN 0.486 nan 8.380 nan 0.000 0.434 77 F N -0.431 119.509 119.950 -0.016 0.000 2.698 77 F HA 0.080 4.602 4.527 -0.007 0.000 0.295 77 F C 2.031 177.950 175.800 0.199 0.000 1.124 77 F CA 0.201 58.242 58.000 0.067 0.000 1.426 77 F CB 0.306 39.330 39.000 0.040 0.000 1.120 77 F HN -0.012 nan 8.300 nan 0.000 0.583 78 T N -1.076 113.655 114.554 0.295 0.000 3.035 78 T HA -0.083 4.262 4.350 -0.008 0.000 0.259 78 T C 1.853 176.689 174.700 0.227 0.000 1.078 78 T CA 0.499 62.772 62.100 0.287 0.000 1.132 78 T CB -0.080 68.983 68.868 0.324 0.000 0.900 78 T HN 0.056 nan 8.240 nan 0.000 0.480 79 Q N 0.377 120.216 119.800 0.064 0.000 2.297 79 Q HA 0.033 4.368 4.340 -0.008 0.000 0.208 79 Q C 0.460 176.595 176.000 0.225 0.000 0.981 79 Q CA 0.838 56.684 55.803 0.072 0.000 0.876 79 Q CB -0.039 28.614 28.738 -0.142 0.000 0.921 79 Q HN 0.435 nan 8.270 nan 0.000 0.446 80 I N 0.054 120.709 120.570 0.142 0.000 2.689 80 I HA 0.343 4.509 4.170 -0.008 0.000 0.299 80 I C -2.528 173.328 176.117 -0.436 0.000 1.059 80 I CA -3.255 58.029 61.300 -0.027 0.000 1.055 80 I CB 1.473 39.410 38.000 -0.106 0.000 1.243 80 I HN -0.331 nan 8.210 nan 0.000 0.425 81 P HA 0.175 nan 4.420 nan 0.000 0.271 81 P C -0.719 176.332 177.300 -0.414 0.000 1.233 81 P CA 0.307 63.127 63.100 -0.467 0.000 0.764 81 P CB -0.012 31.465 31.700 -0.370 0.000 0.825 82 H N 2.242 121.283 119.070 -0.048 0.000 2.474 82 H HA 0.241 4.792 4.556 -0.008 0.000 0.250 82 H C -0.048 175.270 175.328 -0.017 0.000 1.307 82 H CA -0.918 55.115 56.048 -0.025 0.000 1.058 82 H CB -0.025 29.719 29.762 -0.031 0.000 1.693 82 H HN 0.266 nan 8.280 nan 0.000 0.552 83 L N 2.023 123.291 121.223 0.076 0.000 2.499 83 L HA 0.224 4.559 4.340 -0.008 0.000 0.273 83 L C 0.494 177.453 176.870 0.149 0.000 1.195 83 L CA -0.104 54.798 54.840 0.102 0.000 0.882 83 L CB 0.053 42.229 42.059 0.194 0.000 1.133 83 L HN 0.445 nan 8.230 nan 0.000 0.483 84 A N 4.198 127.111 122.820 0.154 0.000 2.580 84 A HA 0.400 4.716 4.320 -0.008 0.000 0.244 84 A C 1.428 179.057 177.584 0.075 0.000 1.045 84 A CA 0.647 52.750 52.037 0.111 0.000 0.761 84 A CB -0.858 18.211 19.000 0.114 0.000 0.962 84 A HN 1.845 nan 8.150 nan 0.000 0.512 85 G N 1.753 110.606 108.800 0.088 0.000 2.241 85 G HA2 -0.199 3.757 3.960 -0.008 0.000 0.244 85 G HA3 -0.199 3.757 3.960 -0.008 0.000 0.244 85 G C 0.667 175.608 174.900 0.068 0.000 0.998 85 G CA 0.962 46.115 45.100 0.088 0.000 0.621 85 G HN 2.182 nan 8.290 nan 0.000 0.519 86 T N -0.729 113.863 114.554 0.063 0.000 2.926 86 T HA 0.486 4.832 4.350 -0.008 0.000 0.307 86 T C 1.171 175.904 174.700 0.055 0.000 1.059 86 T CA 0.645 62.749 62.100 0.007 0.000 1.122 86 T CB 1.252 70.126 68.868 0.010 0.000 0.972 86 T HN 0.411 nan 8.240 nan 0.000 0.545 87 E N 1.309 121.526 120.200 0.028 0.000 2.393 87 E HA -0.211 4.134 4.350 -0.008 0.000 0.201 87 E C 1.647 178.293 176.600 0.076 0.000 1.025 87 E CA 1.072 57.514 56.400 0.070 0.000 0.856 87 E CB -0.148 29.566 29.700 0.023 0.000 0.771 87 E HN 0.735 nan 8.360 nan 0.000 0.526 88 Q N -0.565 119.279 119.800 0.072 0.000 2.378 88 Q HA 0.048 4.384 4.340 -0.008 0.000 0.229 88 Q C 1.565 177.651 176.000 0.143 0.000 0.882 88 Q CA 0.253 56.108 55.803 0.087 0.000 0.936 88 Q CB 0.131 28.922 28.738 0.089 0.000 1.092 88 Q HN 0.060 nan 8.270 nan 0.000 0.535 89 N N 0.203 118.995 118.700 0.152 0.000 2.309 89 N HA -0.141 4.594 4.740 -0.008 0.000 0.182 89 N C 1.071 176.608 175.510 0.045 0.000 1.018 89 N CA 0.748 53.858 53.050 0.101 0.000 0.876 89 N CB -0.045 38.516 38.487 0.123 0.000 0.972 89 N HN 0.181 nan 8.380 nan 0.000 0.434 90 F N 1.350 121.210 119.950 -0.151 0.000 2.206 90 F HA 0.068 4.591 4.527 -0.007 0.000 0.298 90 F C 1.988 177.596 175.800 -0.319 0.000 1.090 90 F CA 1.273 59.067 58.000 -0.343 0.000 1.323 90 F CB -0.589 38.169 39.000 -0.403 0.000 1.028 90 F HN 0.145 nan 8.300 nan 0.000 0.492 91 Q N -0.469 119.165 119.800 -0.277 0.000 2.119 91 Q HA -0.174 4.161 4.340 -0.008 0.000 0.201 91 Q C 2.122 177.942 176.000 -0.300 0.000 0.972 91 Q CA 1.520 57.102 55.803 -0.368 0.000 0.847 91 Q CB -0.427 28.187 28.738 -0.207 0.000 0.903 91 Q HN 0.390 nan 8.270 nan 0.000 0.433 92 L N 0.487 121.558 121.223 -0.254 0.000 2.156 92 L HA -0.004 4.331 4.340 -0.008 0.000 0.208 92 L C 2.028 178.687 176.870 -0.352 0.000 1.095 92 L CA 1.655 56.297 54.840 -0.329 0.000 0.770 92 L CB -0.820 40.914 42.059 -0.542 0.000 0.914 92 L HN 0.084 nan 8.230 nan 0.000 0.439 93 A N -0.144 122.505 122.820 -0.284 0.000 1.865 93 A HA -0.250 4.065 4.320 -0.008 0.000 0.217 93 A C 2.313 179.725 177.584 -0.287 0.000 1.191 93 A CA 2.060 53.951 52.037 -0.243 0.000 0.623 93 A CB -0.545 18.410 19.000 -0.074 0.000 0.826 93 A HN 0.481 nan 8.150 nan 0.000 0.444 94 K N -0.722 119.486 120.400 -0.320 0.000 2.113 94 K HA -0.244 4.071 4.320 -0.008 0.000 0.208 94 K C 2.416 178.848 176.600 -0.280 0.000 1.047 94 K CA 1.699 57.796 56.287 -0.317 0.000 0.928 94 K CB -0.196 32.041 32.500 -0.439 0.000 0.716 94 K HN 0.698 nan 8.250 nan 0.000 0.446 95 Q N 1.047 120.678 119.800 -0.282 0.000 1.993 95 Q HA -0.157 4.178 4.340 -0.008 0.000 0.202 95 Q C 2.126 177.959 176.000 -0.278 0.000 0.984 95 Q CA 1.465 57.129 55.803 -0.232 0.000 0.837 95 Q CB -0.053 28.576 28.738 -0.181 0.000 0.902 95 Q HN 0.312 nan 8.270 nan 0.000 0.423 96 I N 0.709 121.044 120.570 -0.391 0.000 2.335 96 I HA -0.310 3.855 4.170 -0.008 0.000 0.251 96 I C 2.676 178.335 176.117 -0.763 0.000 1.129 96 I CA 1.238 62.166 61.300 -0.620 0.000 1.402 96 I CB -0.411 37.079 38.000 -0.851 0.000 1.069 96 I HN 0.446 nan 8.210 nan 0.000 0.424 97 Q N 0.660 120.158 119.800 -0.503 0.000 1.967 97 Q HA -0.254 4.082 4.340 -0.008 0.000 0.202 97 Q C 2.393 178.263 176.000 -0.217 0.000 0.985 97 Q CA 2.516 58.125 55.803 -0.323 0.000 0.839 97 Q CB -0.139 28.482 28.738 -0.195 0.000 0.906 97 Q HN 0.373 nan 8.270 nan 0.000 0.423 98 S N -0.172 115.407 115.700 -0.202 0.000 2.359 98 S HA -0.294 4.171 4.470 -0.008 0.000 0.222 98 S C 1.967 176.446 174.600 -0.202 0.000 1.038 98 S CA 2.013 60.118 58.200 -0.158 0.000 1.051 98 S CB -0.363 62.750 63.200 -0.145 0.000 0.944 98 S HN 0.505 nan 8.310 nan 0.000 0.433 99 Q N -1.043 118.591 119.800 -0.276 0.000 2.173 99 Q HA -0.180 4.155 4.340 -0.008 0.000 0.208 99 Q C 1.908 177.475 176.000 -0.721 0.000 0.989 99 Q CA 2.031 57.553 55.803 -0.469 0.000 0.872 99 Q CB -0.242 28.301 28.738 -0.326 0.000 0.909 99 Q HN 0.693 nan 8.270 nan 0.000 0.420 100 W N 0.802 121.765 121.300 -0.561 0.000 2.388 100 W HA -0.061 4.594 4.660 -0.009 0.000 0.294 100 W C 1.877 178.249 176.519 -0.245 0.000 1.212 100 W CA 0.654 57.746 57.345 -0.423 0.000 1.271 100 W CB -0.391 28.942 29.460 -0.212 0.000 1.126 100 W HN 0.136 nan 8.180 nan 0.000 0.535 101 K N 0.115 120.540 120.400 0.042 0.000 2.057 101 K HA -0.218 4.097 4.320 -0.008 0.000 0.207 101 K C 1.820 178.427 176.600 0.012 0.000 1.049 101 K CA 1.757 58.067 56.287 0.038 0.000 0.931 101 K CB -0.418 32.089 32.500 0.012 0.000 0.714 101 K HN 0.142 nan 8.250 nan 0.000 0.440 102 E N 0.170 120.324 120.200 -0.078 0.000 2.077 102 E HA -0.163 4.183 4.350 -0.008 0.000 0.193 102 E C 1.652 178.315 176.600 0.104 0.000 0.989 102 E CA 0.987 57.365 56.400 -0.036 0.000 0.800 102 E CB 0.035 29.668 29.700 -0.113 0.000 0.746 102 E HN 0.151 nan 8.360 nan 0.000 0.452 103 F N -0.761 119.224 119.950 0.059 0.000 2.269 103 F HA 0.085 4.607 4.527 -0.008 0.000 0.301 103 F C 1.990 177.817 175.800 0.046 0.000 1.082 103 F CA 1.366 59.386 58.000 0.033 0.000 1.360 103 F CB -0.193 38.788 39.000 -0.030 0.000 1.041 103 F HN 0.288 nan 8.300 nan 0.000 0.512 104 G N -1.245 107.690 108.800 0.225 0.000 2.935 104 G HA2 -0.112 3.843 3.960 -0.008 0.000 0.213 104 G HA3 -0.112 3.843 3.960 -0.008 0.000 0.213 104 G C 0.202 175.186 174.900 0.140 0.000 0.984 104 G CA -0.455 44.749 45.100 0.173 0.000 0.790 104 G HN 0.098 nan 8.290 nan 0.000 0.538 105 L N 1.726 123.023 121.223 0.123 0.000 2.543 105 L HA 0.110 4.446 4.340 -0.008 0.000 0.285 105 L C 1.261 178.192 176.870 0.101 0.000 1.236 105 L CA 0.310 55.217 54.840 0.112 0.000 0.871 105 L CB 0.357 42.482 42.059 0.109 0.000 1.121 105 L HN 0.172 nan 8.230 nan 0.000 0.501 106 D N 0.814 121.268 120.400 0.089 0.000 2.085 106 D HA -0.032 4.604 4.640 -0.008 0.000 0.199 106 D C 0.369 176.712 176.300 0.071 0.000 0.981 106 D CA 1.264 55.305 54.000 0.069 0.000 0.834 106 D CB 0.320 41.150 40.800 0.050 0.000 0.992 106 D HN 0.460 nan 8.370 nan 0.000 0.457 107 S N -0.377 115.370 115.700 0.079 0.000 2.568 107 S HA 0.588 5.054 4.470 -0.008 0.000 0.302 107 S C -0.438 174.231 174.600 0.116 0.000 1.082 107 S CA -0.694 57.556 58.200 0.084 0.000 1.009 107 S CB 3.014 66.258 63.200 0.073 0.000 1.069 107 S HN -0.067 nan 8.310 nan 0.000 0.500 108 V N 2.436 122.420 119.914 0.117 0.000 2.719 108 V HA 0.409 4.524 4.120 -0.008 0.000 0.289 108 V C -0.796 175.362 176.094 0.106 0.000 1.167 108 V CA -0.585 61.806 62.300 0.151 0.000 0.929 108 V CB 1.609 33.542 31.823 0.183 0.000 1.050 108 V HN 0.931 nan 8.190 nan 0.000 0.448 109 E N 3.664 123.928 120.200 0.107 0.000 2.459 109 E HA 0.674 5.019 4.350 -0.008 0.000 0.275 109 E C -1.506 175.152 176.600 0.097 0.000 0.987 109 E CA -1.062 55.395 56.400 0.095 0.000 0.828 109 E CB 2.839 32.604 29.700 0.109 0.000 1.428 109 E HN 0.439 nan 8.360 nan 0.000 0.457 110 L N 1.305 122.607 121.223 0.131 0.000 2.295 110 L HA 0.626 4.962 4.340 -0.008 0.000 0.285 110 L C -0.497 176.481 176.870 0.180 0.000 1.035 110 L CA -0.788 54.158 54.840 0.177 0.000 0.806 110 L CB 1.341 43.576 42.059 0.294 0.000 1.214 110 L HN 0.527 nan 8.230 nan 0.000 0.426 111 A N 3.861 126.755 122.820 0.124 0.000 2.271 111 A HA 0.604 4.920 4.320 -0.008 0.000 0.317 111 A C -0.657 176.802 177.584 -0.209 0.000 1.245 111 A CA -0.498 51.545 52.037 0.010 0.000 0.857 111 A CB 0.260 19.419 19.000 0.265 0.000 1.175 111 A HN 0.831 nan 8.150 nan 0.000 0.512 112 H N 0.596 119.290 119.070 -0.627 0.000 2.690 112 H HA 0.753 5.304 4.556 -0.007 0.000 0.368 112 H C -2.062 172.573 175.328 -1.154 0.000 1.150 112 H CA -0.782 54.785 56.048 -0.801 0.000 1.174 112 H CB 1.213 30.497 29.762 -0.796 0.000 1.684 112 H HN 0.531 nan 8.280 nan 0.000 0.538 113 Y N -0.215 120.030 120.300 -0.091 0.000 2.562 113 Y HA 0.195 4.740 4.550 -0.009 0.000 0.345 113 Y C -0.609 175.238 175.900 -0.087 0.000 1.045 113 Y CA -1.126 56.920 58.100 -0.091 0.000 1.028 113 Y CB 1.884 40.303 38.460 -0.068 0.000 1.297 113 Y HN 0.543 nan 8.280 nan 0.000 0.463 114 D N 2.397 122.832 120.400 0.058 0.000 2.380 114 D HA 0.350 4.985 4.640 -0.008 0.000 0.230 114 D C -0.767 175.540 176.300 0.013 0.000 1.154 114 D CA 0.111 54.112 54.000 0.002 0.000 0.859 114 D CB 1.569 42.362 40.800 -0.013 0.000 1.045 114 D HN 0.147 nan 8.370 nan 0.000 0.495 115 V N 2.574 122.489 119.914 0.002 0.000 2.667 115 V HA 0.170 4.285 4.120 -0.008 0.000 0.308 115 V C 0.077 176.166 176.094 -0.008 0.000 1.048 115 V CA -1.056 61.243 62.300 -0.001 0.000 0.928 115 V CB 2.321 34.149 31.823 0.007 0.000 1.004 115 V HN 0.357 nan 8.190 nan 0.000 0.444 116 L N 6.014 127.255 121.223 0.030 0.000 2.565 116 L HA 0.300 4.635 4.340 -0.008 0.000 0.275 116 L C -0.374 176.588 176.870 0.153 0.000 1.137 116 L CA 1.158 56.051 54.840 0.089 0.000 0.915 116 L CB -0.749 41.397 42.059 0.144 0.000 1.232 116 L HN 0.496 nan 8.230 nan 0.000 0.473 117 L N 3.668 124.829 121.223 -0.102 0.000 2.558 117 L HA 0.779 5.114 4.340 -0.008 0.000 0.260 117 L C -0.041 176.418 176.870 -0.685 0.000 1.130 117 L CA -0.644 53.894 54.840 -0.503 0.000 1.049 117 L CB 1.801 43.361 42.059 -0.831 0.000 1.758 117 L HN 0.737 nan 8.230 nan 0.000 0.555 118 S N -1.027 114.048 115.700 -1.042 0.000 2.583 118 S HA 0.582 5.047 4.470 -0.008 0.000 0.294 118 S C -1.701 172.526 174.600 -0.621 0.000 1.121 118 S CA -0.796 56.987 58.200 -0.694 0.000 0.910 118 S CB 0.755 63.571 63.200 -0.640 0.000 1.102 118 S HN 0.423 nan 8.310 nan 0.000 0.451 119 Y N 0.450 120.670 120.300 -0.134 0.000 2.609 119 Y HA 0.764 5.310 4.550 -0.008 0.000 0.342 119 Y C -2.794 172.871 175.900 -0.391 0.000 1.058 119 Y CA -2.370 55.549 58.100 -0.301 0.000 1.055 119 Y CB 1.198 39.568 38.460 -0.151 0.000 1.292 119 Y HN 0.444 nan 8.280 nan 0.000 0.476 120 P HA 0.073 nan 4.420 nan 0.000 0.276 120 P C -0.799 176.467 177.300 -0.057 0.000 1.252 120 P CA -0.595 62.365 63.100 -0.234 0.000 0.802 120 P CB 0.626 32.150 31.700 -0.293 0.000 1.035 121 N N 1.705 120.418 118.700 0.021 0.000 2.406 121 N HA 0.024 4.759 4.740 -0.008 0.000 0.251 121 N C 0.777 176.323 175.510 0.061 0.000 1.069 121 N CA 0.037 53.113 53.050 0.044 0.000 0.947 121 N CB 0.297 38.834 38.487 0.085 0.000 1.111 121 N HN 0.237 nan 8.380 nan 0.000 0.497 122 K N 1.534 121.950 120.400 0.025 0.000 2.218 122 K HA -0.119 4.196 4.320 -0.008 0.000 0.205 122 K C 1.167 177.809 176.600 0.071 0.000 1.046 122 K CA 1.443 57.754 56.287 0.040 0.000 0.933 122 K CB 0.249 32.753 32.500 0.007 0.000 0.728 122 K HN 0.515 nan 8.250 nan 0.000 0.454 123 T N -0.678 113.911 114.554 0.059 0.000 2.852 123 T HA -0.044 4.302 4.350 -0.008 0.000 0.256 123 T C 0.517 175.368 174.700 0.251 0.000 1.038 123 T CA 0.843 62.993 62.100 0.083 0.000 1.141 123 T CB -0.030 68.813 68.868 -0.041 0.000 0.869 123 T HN 0.297 nan 8.240 nan 0.000 0.439 124 H N 1.492 120.617 119.070 0.092 0.000 2.482 124 H HA 0.272 4.823 4.556 -0.008 0.000 0.231 124 H C -2.549 172.949 175.328 0.283 0.000 1.612 124 H CA -2.357 53.791 56.048 0.166 0.000 1.279 124 H CB 0.483 30.278 29.762 0.055 0.000 1.562 124 H HN 0.224 nan 8.280 nan 0.000 0.553 125 P HA -0.155 nan 4.420 nan 0.000 0.267 125 P C -0.175 177.244 177.300 0.199 0.000 1.195 125 P CA 0.419 63.662 63.100 0.237 0.000 0.773 125 P CB 0.678 32.508 31.700 0.216 0.000 0.837 126 N N 1.809 120.576 118.700 0.110 0.000 2.508 126 N HA 0.446 5.181 4.740 -0.008 0.000 0.285 126 N C -0.433 175.017 175.510 -0.100 0.000 1.144 126 N CA 0.050 53.050 53.050 -0.084 0.000 0.978 126 N CB 0.933 39.447 38.487 0.044 0.000 1.180 126 N HN 0.517 nan 8.380 nan 0.000 0.484 127 Y N -2.104 117.966 120.300 -0.383 0.000 2.851 127 Y HA 0.539 5.084 4.550 -0.008 0.000 0.359 127 Y C -1.813 173.857 175.900 -0.384 0.000 1.231 127 Y CA -1.149 56.671 58.100 -0.466 0.000 1.106 127 Y CB 0.493 38.745 38.460 -0.347 0.000 1.409 127 Y HN 0.336 nan 8.280 nan 0.000 0.454 128 I N 1.780 122.309 120.570 -0.068 0.000 3.133 128 I HA 0.880 5.045 4.170 -0.008 0.000 0.311 128 I C -0.313 175.816 176.117 0.020 0.000 1.072 128 I CA -0.706 60.582 61.300 -0.021 0.000 1.015 128 I CB 2.307 40.288 38.000 -0.031 0.000 1.233 128 I HN 0.952 nan 8.210 nan 0.000 0.473 129 S N 1.278 116.996 115.700 0.030 0.000 2.669 129 S HA 0.619 5.084 4.470 -0.008 0.000 0.266 129 S C -1.367 173.300 174.600 0.111 0.000 1.149 129 S CA -0.951 57.225 58.200 -0.040 0.000 0.842 129 S CB 1.179 64.377 63.200 -0.002 0.000 1.160 129 S HN 0.431 nan 8.310 nan 0.000 0.487 130 I N 1.336 122.000 120.570 0.157 0.000 2.465 130 I HA 0.537 4.703 4.170 -0.008 0.000 0.291 130 I C -0.978 175.253 176.117 0.191 0.000 1.014 130 I CA -0.984 60.462 61.300 0.245 0.000 1.093 130 I CB 1.615 39.849 38.000 0.391 0.000 1.267 130 I HN 0.517 nan 8.210 nan 0.000 0.431 131 I N 4.973 125.637 120.570 0.156 0.000 2.797 131 I HA 0.531 4.696 4.170 -0.008 0.000 0.307 131 I C -0.188 175.991 176.117 0.104 0.000 1.033 131 I CA -0.468 60.901 61.300 0.116 0.000 1.071 131 I CB 1.665 39.716 38.000 0.084 0.000 1.255 131 I HN 0.762 nan 8.210 nan 0.000 0.445 132 N N 1.971 120.719 118.700 0.080 0.000 3.664 132 N HA 0.127 4.862 4.740 -0.008 0.000 0.334 132 N C -0.544 174.989 175.510 0.038 0.000 1.536 132 N CA -0.578 52.510 53.050 0.063 0.000 0.649 132 N CB 0.433 38.961 38.487 0.069 0.000 3.017 132 N HN 0.368 nan 8.380 nan 0.000 0.574 133 E N 1.235 121.451 120.200 0.027 0.000 2.214 133 E HA 0.055 4.400 4.350 -0.008 0.000 0.291 133 E C -0.741 175.871 176.600 0.020 0.000 1.137 133 E CA 0.258 56.669 56.400 0.018 0.000 1.175 133 E CB -0.811 28.895 29.700 0.009 0.000 1.071 133 E HN 0.331 nan 8.360 nan 0.000 0.467 134 D N -0.388 120.027 120.400 0.024 0.000 2.946 134 D HA -0.132 4.503 4.640 -0.008 0.000 0.202 134 D C 0.503 176.823 176.300 0.032 0.000 1.068 134 D CA 1.401 55.416 54.000 0.026 0.000 1.011 134 D CB -1.178 39.634 40.800 0.019 0.000 1.105 134 D HN 0.539 nan 8.370 nan 0.000 0.425 135 G N 0.332 109.154 108.800 0.037 0.000 2.339 135 G HA2 0.397 4.352 3.960 -0.008 0.000 0.287 135 G HA3 0.397 4.352 3.960 -0.008 0.000 0.287 135 G C 0.947 175.883 174.900 0.060 0.000 1.163 135 G CA -0.275 44.851 45.100 0.043 0.000 0.872 135 G HN 0.039 nan 8.290 nan 0.000 0.464 136 N N 1.707 120.443 118.700 0.060 0.000 2.517 136 N HA -0.084 4.651 4.740 -0.008 0.000 0.202 136 N C 2.010 177.559 175.510 0.065 0.000 1.042 136 N CA 0.915 54.011 53.050 0.078 0.000 0.952 136 N CB -0.334 38.205 38.487 0.086 0.000 1.211 136 N HN 0.817 nan 8.380 nan 0.000 0.458 137 E N 1.704 121.923 120.200 0.033 0.000 2.355 137 E HA -0.199 4.147 4.350 -0.008 0.000 0.209 137 E C 0.162 176.779 176.600 0.029 0.000 1.050 137 E CA 0.707 57.108 56.400 0.000 0.000 0.843 137 E CB -0.497 29.202 29.700 -0.002 0.000 0.742 137 E HN 0.215 nan 8.360 nan 0.000 0.489 138 I N 2.605 123.224 120.570 0.081 0.000 3.209 138 I HA -0.140 4.025 4.170 -0.008 0.000 0.288 138 I C 0.097 176.348 176.117 0.222 0.000 1.182 138 I CA 0.921 62.310 61.300 0.149 0.000 1.472 138 I CB -2.568 35.541 38.000 0.181 0.000 1.515 138 I HN 0.206 nan 8.210 nan 0.000 0.646 139 F N 4.842 124.796 119.950 0.006 0.000 2.160 139 F HA -0.270 4.252 4.527 -0.008 0.000 0.416 139 F C -0.350 175.424 175.800 -0.042 0.000 1.174 139 F CA 0.012 58.001 58.000 -0.018 0.000 1.373 139 F CB -0.688 38.312 39.000 -0.000 0.000 2.115 139 F HN 0.587 nan 8.300 nan 0.000 0.747 140 N N 4.731 123.127 118.700 -0.507 0.000 2.456 140 N HA 0.360 5.096 4.740 -0.008 0.000 0.288 140 N C 0.330 175.364 175.510 -0.794 0.000 1.059 140 N CA -0.024 52.622 53.050 -0.673 0.000 0.946 140 N CB 1.520 39.630 38.487 -0.628 0.000 1.150 140 N HN 0.578 nan 8.380 nan 0.000 0.479 141 T N 0.633 114.768 114.554 -0.699 0.000 2.680 141 T HA 0.017 4.363 4.350 -0.008 0.000 0.314 141 T C 0.800 175.351 174.700 -0.249 0.000 1.045 141 T CA -0.188 61.657 62.100 -0.424 0.000 1.025 141 T CB 0.145 68.888 68.868 -0.208 0.000 1.000 141 T HN 0.596 nan 8.240 nan 0.000 0.535 142 S N 0.807 116.429 115.700 -0.129 0.000 2.549 142 S HA 0.185 4.651 4.470 -0.008 0.000 0.279 142 S C 0.838 175.344 174.600 -0.156 0.000 1.321 142 S CA -0.692 57.401 58.200 -0.179 0.000 1.054 142 S CB 0.037 63.160 63.200 -0.128 0.000 0.899 142 S HN 0.558 nan 8.310 nan 0.000 0.497 143 L N 2.175 123.231 121.223 -0.279 0.000 2.628 143 L HA 0.380 4.715 4.340 -0.008 0.000 0.229 143 L C -0.180 176.745 176.870 0.090 0.000 1.137 143 L CA -0.199 54.593 54.840 -0.080 0.000 0.909 143 L CB -1.000 41.030 42.059 -0.048 0.000 1.137 143 L HN 0.837 nan 8.230 nan 0.000 0.470 144 F N -3.163 116.841 119.950 0.091 0.000 3.394 144 F HA 0.435 4.957 4.527 -0.008 0.000 0.329 144 F C -1.260 174.592 175.800 0.086 0.000 1.063 144 F CA -1.736 56.317 58.000 0.088 0.000 0.832 144 F CB 0.756 39.800 39.000 0.073 0.000 1.530 144 F HN -0.296 nan 8.300 nan 0.000 0.459 145 E N 1.382 121.915 120.200 0.555 0.000 2.179 145 E HA 0.449 4.794 4.350 -0.008 0.000 0.275 145 E C -2.697 174.220 176.600 0.528 0.000 0.945 145 E CA -2.203 54.433 56.400 0.393 0.000 0.792 145 E CB 1.697 31.527 29.700 0.215 0.000 1.125 145 E HN 0.253 nan 8.360 nan 0.000 0.397 146 P HA -0.022 nan 4.420 nan 0.000 0.256 146 P C -2.377 175.095 177.300 0.287 0.000 1.189 146 P CA -0.647 62.727 63.100 0.457 0.000 0.808 146 P CB -0.341 31.592 31.700 0.390 0.000 0.793 147 P HA -0.052 nan 4.420 nan 0.000 0.259 147 P C -2.302 175.087 177.300 0.149 0.000 1.163 147 P CA -0.691 62.448 63.100 0.065 0.000 0.760 147 P CB -0.437 31.286 31.700 0.037 0.000 0.762 148 P HA 0.097 nan 4.420 nan 0.000 0.271 148 P C -2.114 175.428 177.300 0.404 0.000 1.216 148 P CA -1.072 62.212 63.100 0.307 0.000 0.776 148 P CB -0.482 31.279 31.700 0.101 0.000 0.881 149 P HA -0.330 nan 4.420 nan 0.000 0.253 149 P C 1.568 178.996 177.300 0.213 0.000 0.872 149 P CA 2.440 65.711 63.100 0.284 0.000 1.093 149 P CB -0.978 30.894 31.700 0.287 0.000 0.776 150 G N -1.905 106.958 108.800 0.106 0.000 2.657 150 G HA2 -0.269 3.686 3.960 -0.008 0.000 0.224 150 G HA3 -0.269 3.686 3.960 -0.008 0.000 0.224 150 G C 0.390 175.106 174.900 -0.307 0.000 1.086 150 G CA 1.116 46.120 45.100 -0.161 0.000 0.730 150 G HN 0.451 nan 8.290 nan 0.000 0.602 151 Y N 1.368 121.674 120.300 0.009 0.000 2.960 151 Y HA 0.257 4.802 4.550 -0.008 0.000 0.393 151 Y C 1.690 177.614 175.900 0.039 0.000 1.118 151 Y CA -0.679 57.420 58.100 -0.001 0.000 1.850 151 Y CB -0.094 38.323 38.460 -0.071 0.000 1.827 151 Y HN 0.137 nan 8.280 nan 0.000 0.463 152 E N 0.690 120.945 120.200 0.090 0.000 1.999 152 E HA -0.168 4.177 4.350 -0.008 0.000 0.194 152 E C 0.550 177.177 176.600 0.045 0.000 0.995 152 E CA 0.686 57.127 56.400 0.067 0.000 0.825 152 E CB -0.295 29.429 29.700 0.040 0.000 0.777 152 E HN 0.386 nan 8.360 nan 0.000 0.459 153 N N 1.284 120.001 118.700 0.028 0.000 2.918 153 N HA 0.142 4.877 4.740 -0.008 0.000 0.247 153 N C -1.383 174.150 175.510 0.038 0.000 1.117 153 N CA 0.037 53.098 53.050 0.019 0.000 1.005 153 N CB 0.419 38.910 38.487 0.006 0.000 1.297 153 N HN -0.186 nan 8.380 nan 0.000 0.513 154 V N 1.801 121.756 119.914 0.069 0.000 2.419 154 V HA 0.231 4.347 4.120 -0.008 0.000 0.287 154 V C 0.368 176.502 176.094 0.067 0.000 1.017 154 V CA -1.089 61.277 62.300 0.110 0.000 0.844 154 V CB 0.881 32.863 31.823 0.266 0.000 1.011 154 V HN 0.518 nan 8.190 nan 0.000 0.429 155 S N 2.416 118.136 115.700 0.034 0.000 2.572 155 S HA 0.388 4.853 4.470 -0.008 0.000 0.279 155 S C 0.401 174.996 174.600 -0.009 0.000 1.341 155 S CA 0.175 58.378 58.200 0.004 0.000 1.043 155 S CB 0.766 63.965 63.200 -0.003 0.000 0.887 155 S HN 0.895 nan 8.310 nan 0.000 0.516 156 D N -1.305 119.078 120.400 -0.028 0.000 2.661 156 D HA -0.127 4.508 4.640 -0.008 0.000 0.183 156 D C -0.326 175.936 176.300 -0.064 0.000 0.935 156 D CA 0.512 54.485 54.000 -0.046 0.000 1.004 156 D CB -0.957 39.810 40.800 -0.056 0.000 1.053 156 D HN 0.507 nan 8.370 nan 0.000 0.459 157 I N 2.536 123.060 120.570 -0.077 0.000 2.752 157 I HA -0.051 4.114 4.170 -0.008 0.000 0.286 157 I C 0.941 177.046 176.117 -0.021 0.000 1.180 157 I CA 0.560 61.792 61.300 -0.114 0.000 1.404 157 I CB 0.190 38.131 38.000 -0.097 0.000 1.389 157 I HN -0.215 nan 8.210 nan 0.000 0.549 158 V N 9.990 129.924 119.914 0.033 0.000 2.432 158 V HA 0.180 4.295 4.120 -0.008 0.000 0.271 158 V C -1.879 174.338 176.094 0.205 0.000 1.046 158 V CA -1.626 60.764 62.300 0.150 0.000 0.945 158 V CB 0.829 32.823 31.823 0.285 0.000 0.992 158 V HN 0.622 nan 8.190 nan 0.000 0.471 159 P HA 0.082 nan 4.420 nan 0.000 0.260 159 P C -2.477 175.001 177.300 0.297 0.000 1.172 159 P CA -0.571 62.678 63.100 0.248 0.000 0.760 159 P CB -0.262 31.585 31.700 0.245 0.000 0.773 160 P HA -0.035 nan 4.420 nan 0.000 0.263 160 P C -0.791 176.546 177.300 0.062 0.000 1.162 160 P CA 0.969 64.092 63.100 0.039 0.000 0.758 160 P CB -0.135 31.571 31.700 0.011 0.000 0.773 161 F N -0.508 119.271 119.950 -0.284 0.000 2.669 161 F HA 0.423 4.946 4.527 -0.008 0.000 0.315 161 F C -1.133 174.511 175.800 -0.259 0.000 1.109 161 F CA -0.903 56.913 58.000 -0.308 0.000 1.028 161 F CB 0.549 39.508 39.000 -0.069 0.000 1.287 161 F HN -0.031 nan 8.300 nan 0.000 0.452 162 S N 2.794 118.409 115.700 -0.141 0.000 2.481 162 S HA 0.654 5.120 4.470 -0.008 0.000 0.276 162 S C 0.278 174.937 174.600 0.099 0.000 1.247 162 S CA -0.079 58.054 58.200 -0.113 0.000 1.053 162 S CB 0.601 63.819 63.200 0.031 0.000 0.925 162 S HN 0.969 nan 8.310 nan 0.000 0.491 163 A N 2.931 125.729 122.820 -0.037 0.000 2.462 163 A HA 0.567 4.882 4.320 -0.008 0.000 0.243 163 A C 0.294 178.117 177.584 0.397 0.000 1.076 163 A CA -0.152 52.028 52.037 0.238 0.000 0.773 163 A CB -0.702 18.391 19.000 0.154 0.000 1.010 163 A HN 0.993 nan 8.150 nan 0.000 0.493 164 F N 0.291 120.417 119.950 0.293 0.000 2.988 164 F HA -0.194 4.329 4.527 -0.008 0.000 0.287 164 F C 1.097 176.987 175.800 0.149 0.000 0.781 164 F CA 0.972 59.084 58.000 0.187 0.000 1.221 164 F CB -1.828 37.261 39.000 0.147 0.000 1.392 164 F HN 0.587 nan 8.300 nan 0.000 0.425 165 S N 0.819 116.683 115.700 0.272 0.000 2.564 165 S HA 0.485 4.950 4.470 -0.008 0.000 0.278 165 S C -1.856 172.840 174.600 0.160 0.000 1.333 165 S CA -1.046 57.278 58.200 0.207 0.000 1.048 165 S CB 0.932 64.249 63.200 0.195 0.000 0.900 165 S HN -0.070 nan 8.310 nan 0.000 0.505 166 P HA 0.218 nan 4.420 nan 0.000 0.274 166 P C -0.633 176.717 177.300 0.083 0.000 1.231 166 P CA -0.425 62.736 63.100 0.101 0.000 0.790 166 P CB 0.409 32.160 31.700 0.086 0.000 0.951 167 Q N 0.465 120.310 119.800 0.076 0.000 2.492 167 Q HA 0.540 4.876 4.340 -0.008 0.000 0.238 167 Q C 0.350 176.382 176.000 0.053 0.000 1.045 167 Q CA 0.184 56.033 55.803 0.077 0.000 0.934 167 Q CB 0.303 29.098 28.738 0.096 0.000 1.276 167 Q HN 0.732 nan 8.270 nan 0.000 0.521 168 G N 0.194 109.020 108.800 0.043 0.000 2.337 168 G HA2 0.203 4.158 3.960 -0.008 0.000 0.310 168 G HA3 0.203 4.158 3.960 -0.008 0.000 0.310 168 G C -1.224 173.634 174.900 -0.071 0.000 1.534 168 G CA -0.985 44.116 45.100 0.003 0.000 0.982 168 G HN 0.411 nan 8.290 nan 0.000 0.672 169 M N 2.625 122.166 119.600 -0.099 0.000 2.353 169 M HA 0.255 4.731 4.480 -0.008 0.000 0.218 169 M C -2.554 173.647 176.300 -0.165 0.000 1.044 169 M CA -1.234 53.929 55.300 -0.228 0.000 0.615 169 M CB 1.964 34.390 32.600 -0.289 0.000 1.531 169 M HN 0.409 nan 8.290 nan 0.000 0.378 170 P HA 0.264 nan 4.420 nan 0.000 0.279 170 P C -1.086 176.180 177.300 -0.058 0.000 1.239 170 P CA 0.006 63.069 63.100 -0.061 0.000 0.789 170 P CB 1.194 32.876 31.700 -0.029 0.000 0.933 171 E N 0.554 120.732 120.200 -0.038 0.000 2.199 171 E HA 0.702 5.048 4.350 -0.008 0.000 0.269 171 E C -0.107 176.480 176.600 -0.021 0.000 0.899 171 E CA -0.813 55.571 56.400 -0.026 0.000 0.772 171 E CB 1.936 31.622 29.700 -0.023 0.000 1.155 171 E HN 0.732 nan 8.360 nan 0.000 0.408 172 G N 2.099 110.883 108.800 -0.028 0.000 2.325 172 G HA2 0.070 4.026 3.960 -0.008 0.000 0.297 172 G HA3 0.070 4.026 3.960 -0.008 0.000 0.297 172 G C -1.435 173.421 174.900 -0.072 0.000 1.448 172 G CA -0.909 44.169 45.100 -0.037 0.000 0.838 172 G HN 0.403 nan 8.290 nan 0.000 0.579 173 D N -0.614 119.738 120.400 -0.080 0.000 2.371 173 D HA 0.504 5.140 4.640 -0.008 0.000 0.242 173 D C 0.049 176.328 176.300 -0.034 0.000 1.218 173 D CA 0.207 54.129 54.000 -0.129 0.000 0.945 173 D CB 1.420 42.166 40.800 -0.090 0.000 1.137 173 D HN 0.138 nan 8.370 nan 0.000 0.464 174 L N -0.184 121.040 121.223 0.001 0.000 2.332 174 L HA 0.519 4.854 4.340 -0.008 0.000 0.269 174 L C -0.121 176.845 176.870 0.160 0.000 1.016 174 L CA -0.900 54.010 54.840 0.116 0.000 0.809 174 L CB 1.541 43.716 42.059 0.193 0.000 1.280 174 L HN 0.077 nan 8.230 nan 0.000 0.447 175 V N 0.751 120.784 119.914 0.198 0.000 2.555 175 V HA 0.200 4.315 4.120 -0.008 0.000 0.283 175 V C -0.912 175.334 176.094 0.252 0.000 1.020 175 V CA -0.751 61.687 62.300 0.230 0.000 0.883 175 V CB 0.912 32.872 31.823 0.228 0.000 1.030 175 V HN 0.579 nan 8.190 nan 0.000 0.448 176 Y N 5.603 126.011 120.300 0.179 0.000 2.683 176 Y HA 0.444 4.990 4.550 -0.008 0.000 0.340 176 Y C -0.274 175.710 175.900 0.139 0.000 1.245 176 Y CA 0.233 58.430 58.100 0.161 0.000 1.485 176 Y CB 0.908 39.486 38.460 0.197 0.000 1.328 176 Y HN 0.382 nan 8.280 nan 0.000 0.603 177 V N 6.490 125.773 119.914 -1.052 0.000 2.655 177 V HA 0.137 4.252 4.120 -0.008 0.000 0.301 177 V C -0.422 174.721 176.094 -1.584 0.000 1.082 177 V CA -1.595 59.973 62.300 -1.221 0.000 0.899 177 V CB 1.516 32.844 31.823 -0.824 0.000 1.014 177 V HN 0.908 nan 8.190 nan 0.000 0.429 178 N N 3.015 120.383 118.700 -2.221 0.000 2.292 178 N HA -0.018 4.718 4.740 -0.008 0.000 0.258 178 N C -0.133 174.873 175.510 -0.839 0.000 1.261 178 N CA -0.010 51.949 53.050 -1.819 0.000 0.845 178 N CB 0.126 36.839 38.487 -2.957 0.000 1.064 178 N HN 0.722 nan 8.380 nan 0.000 0.471 179 Y N 0.919 120.911 120.300 -0.513 0.000 2.889 179 Y HA -0.335 4.210 4.550 -0.008 0.000 0.223 179 Y C 1.142 176.982 175.900 -0.100 0.000 1.067 179 Y CA 0.564 58.543 58.100 -0.202 0.000 0.999 179 Y CB -2.536 35.892 38.460 -0.052 0.000 1.106 179 Y HN 0.711 nan 8.280 nan 0.000 0.548 180 A N -0.970 121.767 122.820 -0.138 0.000 6.890 180 A HA -0.309 4.006 4.320 -0.008 0.000 0.242 180 A C 0.620 178.152 177.584 -0.087 0.000 2.184 180 A CA 0.628 52.557 52.037 -0.180 0.000 0.705 180 A CB -0.674 18.326 19.000 -0.000 0.000 0.983 180 A HN 0.713 nan 8.150 nan 0.000 0.384 181 R N 0.145 120.575 120.500 -0.116 0.000 2.637 181 R HA 0.182 4.518 4.340 -0.008 0.000 0.331 181 R C 0.764 177.081 176.300 0.027 0.000 1.166 181 R CA 0.920 57.068 56.100 0.079 0.000 0.993 181 R CB -0.733 29.878 30.300 0.518 0.000 1.012 181 R HN 0.638 nan 8.270 nan 0.000 0.461 182 T N 4.235 118.667 114.554 -0.203 0.000 3.284 182 T HA -0.008 4.337 4.350 -0.008 0.000 0.252 182 T C 0.333 174.911 174.700 -0.204 0.000 1.144 182 T CA 0.224 62.131 62.100 -0.320 0.000 1.021 182 T CB -0.101 68.257 68.868 -0.850 0.000 0.984 182 T HN 0.679 nan 8.240 nan 0.000 0.545 183 E N -0.231 119.934 120.200 -0.058 0.000 3.881 183 E HA -0.172 4.173 4.350 -0.008 0.000 0.165 183 E C 1.062 177.685 176.600 0.038 0.000 1.025 183 E CA 1.602 58.040 56.400 0.064 0.000 2.665 183 E CB -1.559 28.204 29.700 0.105 0.000 1.584 183 E HN 0.436 nan 8.360 nan 0.000 0.579 184 D N 1.201 121.540 120.400 -0.103 0.000 2.205 184 D HA -0.190 4.445 4.640 -0.008 0.000 0.190 184 D C 2.137 178.542 176.300 0.174 0.000 1.002 184 D CA 2.133 56.111 54.000 -0.038 0.000 0.848 184 D CB -0.996 39.691 40.800 -0.189 0.000 0.975 184 D HN 0.319 nan 8.370 nan 0.000 0.449 185 F N -0.102 119.918 119.950 0.117 0.000 2.135 185 F HA -0.246 4.276 4.527 -0.008 0.000 0.300 185 F C 2.571 178.471 175.800 0.167 0.000 1.074 185 F CA 0.660 58.707 58.000 0.079 0.000 1.262 185 F CB -0.478 38.328 39.000 -0.323 0.000 1.013 185 F HN -0.050 nan 8.300 nan 0.000 0.489 186 F N -0.105 120.009 119.950 0.273 0.000 2.619 186 F HA 0.022 4.545 4.527 -0.008 0.000 0.293 186 F C 1.979 177.879 175.800 0.167 0.000 1.119 186 F CA 0.055 58.175 58.000 0.200 0.000 1.445 186 F CB 0.078 39.158 39.000 0.133 0.000 1.119 186 F HN -0.260 nan 8.300 nan 0.000 0.573 187 K N 0.910 121.512 120.400 0.337 0.000 2.665 187 K HA 0.007 4.322 4.320 -0.008 0.000 0.214 187 K C 0.370 177.095 176.600 0.209 0.000 1.032 187 K CA 0.245 56.656 56.287 0.208 0.000 1.198 187 K CB -0.068 32.513 32.500 0.135 0.000 0.941 187 K HN 0.254 nan 8.250 nan 0.000 0.491 188 L N 0.401 121.794 121.223 0.282 0.000 3.519 188 L HA 0.243 4.578 4.340 -0.008 0.000 0.323 188 L C -0.106 176.898 176.870 0.223 0.000 1.289 188 L CA 0.187 55.178 54.840 0.251 0.000 1.039 188 L CB 0.904 43.177 42.059 0.356 0.000 1.438 188 L HN -0.001 nan 8.230 nan 0.000 0.619 189 E N 0.088 120.431 120.200 0.239 0.000 2.476 189 E HA 0.148 4.493 4.350 -0.008 0.000 0.196 189 E C 1.435 178.111 176.600 0.127 0.000 1.029 189 E CA 0.032 56.555 56.400 0.205 0.000 0.896 189 E CB 0.331 30.201 29.700 0.284 0.000 1.012 189 E HN 0.602 nan 8.360 nan 0.000 0.475 190 R N -0.391 120.173 120.500 0.107 0.000 2.237 190 R HA 0.126 4.462 4.340 -0.008 0.000 0.195 190 R C 0.272 176.604 176.300 0.053 0.000 0.956 190 R CA 0.326 56.468 56.100 0.071 0.000 1.029 190 R CB -0.045 30.294 30.300 0.064 0.000 0.972 190 R HN -0.189 nan 8.270 nan 0.000 0.493 191 D N 1.978 122.411 120.400 0.055 0.000 2.332 191 D HA 0.040 4.675 4.640 -0.008 0.000 0.244 191 D C 0.524 176.833 176.300 0.015 0.000 1.136 191 D CA 0.645 54.663 54.000 0.030 0.000 0.884 191 D CB 0.333 41.148 40.800 0.024 0.000 0.906 191 D HN 0.470 nan 8.370 nan 0.000 0.520 192 M N -2.661 116.955 119.600 0.028 0.000 5.838 192 M HA 0.123 4.598 4.480 -0.008 0.000 0.687 192 M C -1.082 175.240 176.300 0.037 0.000 2.467 192 M CA -0.672 54.641 55.300 0.021 0.000 0.221 192 M CB -0.283 32.319 32.600 0.004 0.000 1.448 192 M HN -0.355 nan 8.290 nan 0.000 0.731 193 K N 2.142 122.565 120.400 0.038 0.000 5.128 193 K HA -0.115 4.200 4.320 -0.008 0.000 0.371 193 K C -0.953 175.678 176.600 0.052 0.000 0.786 193 K CA 0.752 57.064 56.287 0.040 0.000 0.982 193 K CB -0.536 31.983 32.500 0.031 0.000 1.986 193 K HN 0.545 nan 8.250 nan 0.000 0.340 194 I N 2.740 123.349 120.570 0.065 0.000 2.540 194 I HA 0.086 4.251 4.170 -0.008 0.000 0.280 194 I C -0.261 175.898 176.117 0.071 0.000 1.083 194 I CA -0.441 60.908 61.300 0.081 0.000 1.080 194 I CB 1.555 39.627 38.000 0.121 0.000 1.205 194 I HN 0.350 nan 8.210 nan 0.000 0.459 195 N N 4.716 123.446 118.700 0.050 0.000 2.767 195 N HA 0.124 4.859 4.740 -0.008 0.000 0.238 195 N C 1.077 176.606 175.510 0.031 0.000 1.083 195 N CA -0.128 52.939 53.050 0.029 0.000 0.964 195 N CB 0.924 39.423 38.487 0.019 0.000 1.252 195 N HN 0.585 nan 8.380 nan 0.000 0.512 196 C N 0.162 119.482 119.300 0.033 0.000 2.399 196 C HA -0.092 4.363 4.460 -0.008 0.000 0.296 196 C C 1.741 176.743 174.990 0.020 0.000 1.415 196 C CA 0.218 59.264 59.018 0.047 0.000 1.798 196 C CB -1.351 26.409 27.740 0.034 0.000 1.802 196 C HN 0.581 nan 8.230 nan 0.000 0.549 197 S N 0.189 115.888 115.700 -0.002 0.000 2.673 197 S HA 0.328 4.793 4.470 -0.008 0.000 0.308 197 S C 1.239 175.844 174.600 0.009 0.000 1.246 197 S CA 1.148 59.345 58.200 -0.004 0.000 1.077 197 S CB -0.306 62.890 63.200 -0.006 0.000 0.814 197 S HN 1.287 nan 8.310 nan 0.000 0.503 198 G N 4.130 112.936 108.800 0.010 0.000 2.198 198 G HA2 -0.217 3.738 3.960 -0.008 0.000 0.257 198 G HA3 -0.217 3.738 3.960 -0.008 0.000 0.257 198 G C -0.324 174.587 174.900 0.018 0.000 1.042 198 G CA 0.355 45.463 45.100 0.012 0.000 0.791 198 G HN 0.738 nan 8.290 nan 0.000 0.502 199 K N -0.075 120.344 120.400 0.032 0.000 2.482 199 K HA 0.479 4.794 4.320 -0.008 0.000 0.251 199 K C 0.164 176.806 176.600 0.070 0.000 0.936 199 K CA -1.203 55.111 56.287 0.046 0.000 0.791 199 K CB 1.772 34.308 32.500 0.060 0.000 1.213 199 K HN 0.030 nan 8.250 nan 0.000 0.428 200 I N 3.658 124.268 120.570 0.066 0.000 2.483 200 I HA 0.027 4.192 4.170 -0.008 0.000 0.291 200 I C 0.233 176.428 176.117 0.130 0.000 1.112 200 I CA -0.103 61.250 61.300 0.089 0.000 1.350 200 I CB -0.151 37.894 38.000 0.074 0.000 1.419 200 I HN 0.283 nan 8.210 nan 0.000 0.523 201 V N 8.235 128.247 119.914 0.163 0.000 2.498 201 V HA 0.310 4.425 4.120 -0.008 0.000 0.279 201 V C 0.312 176.511 176.094 0.174 0.000 1.048 201 V CA -0.539 61.884 62.300 0.204 0.000 0.967 201 V CB 2.045 34.060 31.823 0.320 0.000 0.988 201 V HN 0.581 nan 8.190 nan 0.000 0.473 202 I N 4.852 125.528 120.570 0.177 0.000 2.354 202 I HA 0.822 4.987 4.170 -0.008 0.000 0.292 202 I C 0.003 176.231 176.117 0.186 0.000 0.989 202 I CA -0.129 61.288 61.300 0.194 0.000 1.188 202 I CB 1.191 39.322 38.000 0.220 0.000 1.342 202 I HN 0.712 nan 8.210 nan 0.000 0.457 203 A N 7.509 130.409 122.820 0.134 0.000 2.469 203 A HA 0.765 5.081 4.320 -0.008 0.000 0.299 203 A C -1.059 176.457 177.584 -0.113 0.000 1.098 203 A CA -0.954 51.079 52.037 -0.006 0.000 0.737 203 A CB 1.473 20.409 19.000 -0.107 0.000 1.312 203 A HN 0.793 nan 8.150 nan 0.000 0.414 204 R N 1.297 121.603 120.500 -0.323 0.000 2.346 204 R HA 0.456 4.792 4.340 -0.008 0.000 0.311 204 R C -1.178 174.914 176.300 -0.347 0.000 0.983 204 R CA -0.404 55.260 56.100 -0.726 0.000 0.880 204 R CB 0.598 30.335 30.300 -0.937 0.000 1.100 204 R HN 0.730 nan 8.270 nan 0.000 0.453 205 Y N 1.532 121.626 120.300 -0.344 0.000 2.890 205 Y HA 0.112 4.658 4.550 -0.008 0.000 0.341 205 Y C 1.389 177.214 175.900 -0.125 0.000 1.269 205 Y CA 1.209 59.219 58.100 -0.150 0.000 1.517 205 Y CB 0.633 39.086 38.460 -0.012 0.000 1.314 205 Y HN 1.000 nan 8.280 nan 0.000 0.622 206 G N 2.015 110.881 108.800 0.110 0.000 2.348 206 G HA2 0.169 4.124 3.960 -0.008 0.000 0.606 206 G HA3 0.169 4.124 3.960 -0.008 0.000 0.606 206 G C -0.826 174.041 174.900 -0.055 0.000 1.466 206 G CA -0.555 44.578 45.100 0.054 0.000 0.950 206 G HN 0.523 nan 8.290 nan 0.000 0.657 207 K N -2.336 117.894 120.400 -0.283 0.000 3.985 207 K HA -0.244 4.071 4.320 -0.008 0.000 0.174 207 K C 1.550 178.045 176.600 -0.175 0.000 1.037 207 K CA 1.922 58.035 56.287 -0.290 0.000 0.526 207 K CB -2.466 29.849 32.500 -0.309 0.000 0.711 207 K HN 2.192 nan 8.250 nan 0.000 0.689 208 V N 0.698 120.594 119.914 -0.030 0.000 2.999 208 V HA 0.287 4.402 4.120 -0.008 0.000 0.307 208 V C 0.839 177.002 176.094 0.115 0.000 1.084 208 V CA -0.411 61.953 62.300 0.107 0.000 1.155 208 V CB -0.266 31.617 31.823 0.101 0.000 0.975 208 V HN 0.229 nan 8.190 nan 0.000 0.490 209 F N 4.348 124.270 119.950 -0.047 0.000 2.541 209 F HA 0.309 4.831 4.527 -0.007 0.000 0.378 209 F C 1.931 177.719 175.800 -0.021 0.000 1.068 209 F CA 0.199 58.164 58.000 -0.059 0.000 1.199 209 F CB 0.295 39.270 39.000 -0.041 0.000 1.091 209 F HN 0.808 nan 8.300 nan 0.000 0.555 210 R N 1.984 122.507 120.500 0.037 0.000 2.246 210 R HA -0.292 4.044 4.340 -0.008 0.000 0.266 210 R C 1.943 178.323 176.300 0.134 0.000 1.163 210 R CA 1.883 58.034 56.100 0.085 0.000 0.992 210 R CB -1.452 28.849 30.300 0.002 0.000 0.895 210 R HN 0.774 nan 8.270 nan 0.000 0.465 211 G N 1.317 110.198 108.800 0.134 0.000 2.628 211 G HA2 -0.371 3.584 3.960 -0.008 0.000 0.217 211 G HA3 -0.371 3.584 3.960 -0.008 0.000 0.217 211 G C 1.108 176.080 174.900 0.120 0.000 1.240 211 G CA 1.179 46.350 45.100 0.117 0.000 0.792 211 G HN 0.464 nan 8.290 nan 0.000 0.593 212 N N 0.937 119.712 118.700 0.124 0.000 2.060 212 N HA -0.142 4.593 4.740 -0.008 0.000 0.195 212 N C 2.138 177.738 175.510 0.150 0.000 1.028 212 N CA 1.457 54.581 53.050 0.124 0.000 0.861 212 N CB -0.357 38.203 38.487 0.122 0.000 1.029 212 N HN 0.417 nan 8.380 nan 0.000 0.428 213 K N 0.653 121.146 120.400 0.153 0.000 2.052 213 K HA -0.160 4.155 4.320 -0.008 0.000 0.215 213 K C 2.129 178.845 176.600 0.193 0.000 1.053 213 K CA 1.411 57.797 56.287 0.165 0.000 0.934 213 K CB -0.427 32.166 32.500 0.156 0.000 0.717 213 K HN 0.044 nan 8.250 nan 0.000 0.450 214 V N 1.375 121.389 119.914 0.168 0.000 2.307 214 V HA -0.241 3.874 4.120 -0.008 0.000 0.245 214 V C 2.440 178.620 176.094 0.144 0.000 1.045 214 V CA 1.850 64.245 62.300 0.158 0.000 1.024 214 V CB -0.392 31.515 31.823 0.139 0.000 0.651 214 V HN 0.366 nan 8.190 nan 0.000 0.449 215 K N 0.647 121.122 120.400 0.125 0.000 2.001 215 K HA -0.199 4.117 4.320 -0.008 0.000 0.208 215 K C 1.904 178.568 176.600 0.107 0.000 1.048 215 K CA 2.189 58.534 56.287 0.097 0.000 0.932 215 K CB -0.357 32.190 32.500 0.078 0.000 0.715 215 K HN 0.500 nan 8.250 nan 0.000 0.437 216 N N -0.121 118.673 118.700 0.155 0.000 2.258 216 N HA -0.176 4.559 4.740 -0.008 0.000 0.187 216 N C 1.520 177.140 175.510 0.183 0.000 1.012 216 N CA 0.948 54.117 53.050 0.198 0.000 0.870 216 N CB -0.085 38.582 38.487 0.300 0.000 0.977 216 N HN 0.352 nan 8.380 nan 0.000 0.434 217 A N 0.552 123.526 122.820 0.256 0.000 1.968 217 A HA -0.120 4.195 4.320 -0.008 0.000 0.217 217 A C 2.004 179.589 177.584 0.001 0.000 1.169 217 A CA 0.952 53.127 52.037 0.231 0.000 0.638 217 A CB -0.181 19.001 19.000 0.303 0.000 0.812 217 A HN 0.296 nan 8.150 nan 0.000 0.446 218 Q N -0.318 119.497 119.800 0.025 0.000 2.123 218 Q HA 0.057 4.393 4.340 -0.008 0.000 0.199 218 Q C 1.719 177.688 176.000 -0.052 0.000 0.966 218 Q CA 0.976 56.778 55.803 -0.002 0.000 0.845 218 Q CB -0.256 28.497 28.738 0.025 0.000 0.907 218 Q HN 0.631 nan 8.270 nan 0.000 0.439 219 L N 0.038 121.222 121.223 -0.065 0.000 2.549 219 L HA -0.061 4.274 4.340 -0.008 0.000 0.229 219 L C 1.977 178.747 176.870 -0.166 0.000 1.158 219 L CA 0.431 55.223 54.840 -0.081 0.000 0.842 219 L CB -0.292 41.744 42.059 -0.040 0.000 0.952 219 L HN 0.190 nan 8.230 nan 0.000 0.452 220 A N -0.905 121.731 122.820 -0.306 0.000 2.115 220 A HA 0.403 4.719 4.320 -0.008 0.000 0.211 220 A C 1.774 179.225 177.584 -0.222 0.000 1.169 220 A CA 0.836 52.618 52.037 -0.425 0.000 0.787 220 A CB 0.234 18.599 19.000 -1.058 0.000 0.858 220 A HN 0.427 nan 8.150 nan 0.000 0.474 221 G N -1.867 106.846 108.800 -0.146 0.000 2.229 221 G HA2 0.222 4.177 3.960 -0.008 0.000 0.189 221 G HA3 0.222 4.177 3.960 -0.008 0.000 0.189 221 G C 0.607 175.487 174.900 -0.032 0.000 1.000 221 G CA 0.190 45.250 45.100 -0.068 0.000 0.663 221 G HN 1.655 nan 8.290 nan 0.000 0.493 222 A N 0.308 123.109 122.820 -0.031 0.000 2.641 222 A HA 0.301 4.616 4.320 -0.008 0.000 0.228 222 A C 1.281 178.886 177.584 0.034 0.000 1.049 222 A CA 1.975 54.030 52.037 0.031 0.000 0.779 222 A CB 0.099 19.142 19.000 0.072 0.000 0.947 222 A HN 0.801 nan 8.150 nan 0.000 0.498 223 K N 0.768 121.195 120.400 0.045 0.000 2.367 223 K HA 0.340 4.655 4.320 -0.008 0.000 0.195 223 K C 0.677 177.303 176.600 0.042 0.000 1.060 223 K CA 0.880 57.187 56.287 0.034 0.000 1.022 223 K CB 0.272 32.786 32.500 0.025 0.000 0.894 223 K HN 1.162 nan 8.250 nan 0.000 0.540 224 G N -0.188 108.649 108.800 0.063 0.000 2.451 224 G HA2 0.400 4.355 3.960 -0.008 0.000 0.292 224 G HA3 0.400 4.355 3.960 -0.008 0.000 0.292 224 G C -1.978 172.984 174.900 0.102 0.000 1.427 224 G CA -0.630 44.514 45.100 0.073 0.000 0.792 224 G HN -0.094 nan 8.290 nan 0.000 0.498 225 V N 1.071 121.052 119.914 0.113 0.000 2.686 225 V HA 0.513 4.628 4.120 -0.008 0.000 0.306 225 V C -0.745 175.427 176.094 0.130 0.000 1.065 225 V CA -0.781 61.597 62.300 0.130 0.000 0.894 225 V CB 1.787 33.694 31.823 0.139 0.000 1.004 225 V HN 0.653 nan 8.190 nan 0.000 0.424 226 I N 5.935 126.584 120.570 0.132 0.000 2.354 226 I HA 0.479 4.644 4.170 -0.008 0.000 0.286 226 I C -0.468 175.714 176.117 0.108 0.000 1.007 226 I CA -0.330 61.051 61.300 0.135 0.000 1.167 226 I CB 1.308 39.397 38.000 0.148 0.000 1.320 226 I HN 0.384 nan 8.210 nan 0.000 0.458 227 L N 8.067 129.301 121.223 0.017 0.000 2.305 227 L HA 0.472 4.808 4.340 -0.008 0.000 0.284 227 L C -0.634 176.027 176.870 -0.349 0.000 1.013 227 L CA -0.807 53.907 54.840 -0.210 0.000 0.819 227 L CB 1.482 43.358 42.059 -0.304 0.000 1.227 227 L HN 0.532 nan 8.230 nan 0.000 0.417 228 Y N 0.500 120.543 120.300 -0.428 0.000 2.570 228 Y HA 0.657 5.202 4.550 -0.008 0.000 0.345 228 Y C -0.420 175.327 175.900 -0.255 0.000 1.014 228 Y CA -1.243 56.678 58.100 -0.298 0.000 1.063 228 Y CB 1.492 39.904 38.460 -0.080 0.000 1.272 228 Y HN 0.378 nan 8.280 nan 0.000 0.477 229 S N 2.891 118.582 115.700 -0.015 0.000 2.473 229 S HA 0.081 4.546 4.470 -0.008 0.000 0.312 229 S C -0.801 173.897 174.600 0.163 0.000 1.087 229 S CA -0.682 57.633 58.200 0.191 0.000 1.077 229 S CB -0.184 63.314 63.200 0.496 0.000 1.065 229 S HN 0.677 nan 8.310 nan 0.000 0.510 230 D N 3.014 123.239 120.400 -0.291 0.000 2.304 230 D HA 0.187 4.822 4.640 -0.008 0.000 0.250 230 D C -1.748 174.411 176.300 -0.234 0.000 1.107 230 D CA -2.117 51.815 54.000 -0.114 0.000 0.885 230 D CB 1.579 42.243 40.800 -0.227 0.000 1.192 230 D HN 0.089 nan 8.370 nan 0.000 0.436 231 P HA -0.127 nan 4.420 nan 0.000 0.216 231 P C 1.028 178.273 177.300 -0.092 0.000 1.150 231 P CA 1.549 64.481 63.100 -0.280 0.000 0.837 231 P CB 0.158 31.468 31.700 -0.649 0.000 0.786 232 A N 0.233 122.977 122.820 -0.126 0.000 1.896 232 A HA -0.292 4.023 4.320 -0.008 0.000 0.220 232 A C 1.938 179.497 177.584 -0.040 0.000 1.206 232 A CA 2.473 54.468 52.037 -0.071 0.000 0.647 232 A CB -1.457 17.456 19.000 -0.144 0.000 0.828 232 A HN 0.169 nan 8.150 nan 0.000 0.455 233 D N -0.884 119.414 120.400 -0.170 0.000 2.087 233 D HA -0.040 4.595 4.640 -0.008 0.000 0.203 233 D C 0.347 176.539 176.300 -0.179 0.000 0.976 233 D CA 1.463 55.360 54.000 -0.172 0.000 0.865 233 D CB -0.694 39.850 40.800 -0.426 0.000 1.005 233 D HN 0.644 nan 8.370 nan 0.000 0.449 234 Y N -0.926 119.260 120.300 -0.190 0.000 2.721 234 Y HA 0.571 5.116 4.550 -0.008 0.000 0.328 234 Y C -1.043 174.715 175.900 -0.236 0.000 1.003 234 Y CA -2.114 55.669 58.100 -0.527 0.000 1.275 234 Y CB -0.047 38.139 38.460 -0.456 0.000 1.097 234 Y HN -0.115 nan 8.280 nan 0.000 0.514 235 F N 2.712 122.505 119.950 -0.262 0.000 3.397 235 F HA 0.691 5.213 4.527 -0.008 0.000 0.406 235 F C -0.447 175.389 175.800 0.060 0.000 1.166 235 F CA -1.450 56.524 58.000 -0.043 0.000 1.322 235 F CB 0.255 39.230 39.000 -0.042 0.000 2.322 235 F HN 0.719 nan 8.300 nan 0.000 0.709 236 A N 5.166 127.937 122.820 -0.082 0.000 2.572 236 A HA 0.281 4.596 4.320 -0.008 0.000 0.256 236 A C -2.339 175.165 177.584 -0.132 0.000 1.041 236 A CA -0.473 51.674 52.037 0.183 0.000 0.790 236 A CB -0.782 18.563 19.000 0.575 0.000 0.947 236 A HN 0.451 nan 8.150 nan 0.000 0.518 237 P HA 0.265 nan 4.420 nan 0.000 0.260 237 P C 0.780 178.020 177.300 -0.101 0.000 1.207 237 P CA 1.879 64.945 63.100 -0.057 0.000 0.780 237 P CB 0.342 32.066 31.700 0.040 0.000 0.789 238 G N 1.567 110.277 108.800 -0.150 0.000 2.309 238 G HA2 -0.004 3.951 3.960 -0.008 0.000 0.183 238 G HA3 -0.004 3.951 3.960 -0.008 0.000 0.183 238 G C -0.344 174.450 174.900 -0.176 0.000 1.063 238 G CA -0.422 44.602 45.100 -0.127 0.000 0.768 238 G HN 0.477 nan 8.290 nan 0.000 0.490 239 V N -1.394 118.405 119.914 -0.192 0.000 3.188 239 V HA 0.721 4.836 4.120 -0.008 0.000 0.305 239 V C 0.016 176.110 176.094 -0.001 0.000 1.232 239 V CA -1.434 60.784 62.300 -0.136 0.000 1.043 239 V CB 2.138 33.861 31.823 -0.168 0.000 1.068 239 V HN 0.334 nan 8.190 nan 0.000 0.439 240 K N 0.121 120.577 120.400 0.093 0.000 2.179 240 K HA 0.617 4.932 4.320 -0.008 0.000 0.238 240 K C -0.145 176.584 176.600 0.214 0.000 1.033 240 K CA -0.437 55.945 56.287 0.159 0.000 0.926 240 K CB 0.428 33.011 32.500 0.139 0.000 1.151 240 K HN 0.606 nan 8.250 nan 0.000 0.492 241 S N 1.487 117.306 115.700 0.199 0.000 2.439 241 S HA 0.057 4.522 4.470 -0.008 0.000 0.282 241 S C 0.269 174.915 174.600 0.077 0.000 1.170 241 S CA -0.449 57.851 58.200 0.166 0.000 1.054 241 S CB -0.348 62.927 63.200 0.126 0.000 0.956 241 S HN 0.660 nan 8.310 nan 0.000 0.490 242 Y N 6.108 126.386 120.300 -0.037 0.000 2.176 242 Y HA -0.425 4.121 4.550 -0.008 0.000 0.157 242 Y C -1.492 174.390 175.900 -0.031 0.000 1.161 242 Y CA 3.249 61.293 58.100 -0.093 0.000 0.814 242 Y CB -2.398 35.998 38.460 -0.105 0.000 0.570 242 Y HN 0.533 nan 8.280 nan 0.000 0.643 243 P HA -0.235 nan 4.420 nan 0.000 0.227 243 P C 0.844 177.921 177.300 -0.373 0.000 1.141 243 P CA 2.987 65.688 63.100 -0.665 0.000 0.964 243 P CB -0.119 31.503 31.700 -0.130 0.000 0.784 244 D N -3.071 117.273 120.400 -0.093 0.000 2.513 244 D HA 0.170 4.805 4.640 -0.008 0.000 0.222 244 D C 1.442 177.886 176.300 0.239 0.000 1.210 244 D CA 0.230 54.331 54.000 0.168 0.000 0.825 244 D CB 0.316 41.183 40.800 0.110 0.000 1.037 244 D HN 0.160 nan 8.370 nan 0.000 0.506 245 G N 0.072 108.883 108.800 0.018 0.000 2.586 245 G HA2 0.044 3.999 3.960 -0.008 0.000 0.199 245 G HA3 0.044 3.999 3.960 -0.008 0.000 0.199 245 G C 0.683 175.658 174.900 0.124 0.000 1.614 245 G CA 0.884 46.038 45.100 0.090 0.000 0.921 245 G HN 0.417 nan 8.290 nan 0.000 0.428 246 W N -1.824 119.305 121.300 -0.284 0.000 0.378 246 W HA -0.126 4.530 4.660 -0.007 0.000 0.220 246 W C 0.101 176.629 176.519 0.016 0.000 0.934 246 W CA 0.360 57.554 57.345 -0.251 0.000 0.333 246 W CB -0.830 28.611 29.460 -0.031 0.000 1.930 246 W HN 0.422 nan 8.180 nan 0.000 0.910 247 N N 1.232 120.196 118.700 0.441 0.000 2.593 247 N HA 0.469 5.204 4.740 -0.008 0.000 0.304 247 N C -0.870 174.809 175.510 0.281 0.000 1.296 247 N CA 0.348 53.620 53.050 0.370 0.000 0.950 247 N CB 0.526 39.200 38.487 0.312 0.000 1.127 247 N HN 0.056 nan 8.380 nan 0.000 0.587 248 L N 1.726 123.186 121.223 0.394 0.000 2.275 248 L HA 0.527 4.862 4.340 -0.008 0.000 0.288 248 L C -2.368 174.628 176.870 0.211 0.000 1.046 248 L CA -1.546 53.460 54.840 0.277 0.000 0.805 248 L CB 1.153 43.424 42.059 0.353 0.000 1.193 248 L HN 0.421 nan 8.230 nan 0.000 0.426 249 P HA 0.261 nan 4.420 nan 0.000 0.274 249 P C 0.423 177.331 177.300 -0.652 0.000 1.237 249 P CA -0.263 62.649 63.100 -0.313 0.000 0.793 249 P CB 0.882 32.233 31.700 -0.580 0.000 0.977 250 G N 1.477 109.569 108.800 -1.180 0.000 2.422 250 G HA2 -0.181 3.774 3.960 -0.008 0.000 0.218 250 G HA3 -0.181 3.774 3.960 -0.008 0.000 0.218 250 G C 1.529 175.621 174.900 -1.347 0.000 1.146 250 G CA 0.838 44.542 45.100 -2.327 0.000 0.769 250 G HN 0.636 nan 8.290 nan 0.000 0.547 251 G N 0.409 108.754 108.800 -0.758 0.000 2.650 251 G HA2 0.321 4.276 3.960 -0.008 0.000 0.214 251 G HA3 0.321 4.276 3.960 -0.008 0.000 0.214 251 G C 0.946 175.782 174.900 -0.107 0.000 1.136 251 G CA 0.480 45.414 45.100 -0.276 0.000 0.789 251 G HN 0.622 nan 8.290 nan 0.000 0.536 252 G N -0.083 108.614 108.800 -0.170 0.000 2.343 252 G HA2 0.406 4.361 3.960 -0.008 0.000 0.254 252 G HA3 0.406 4.361 3.960 -0.008 0.000 0.254 252 G C -0.749 174.169 174.900 0.030 0.000 1.277 252 G CA -0.109 45.029 45.100 0.063 0.000 0.909 252 G HN 0.137 nan 8.290 nan 0.000 0.502 253 V N 2.721 122.688 119.914 0.089 0.000 2.715 253 V HA 0.361 4.477 4.120 -0.008 0.000 0.310 253 V C 0.099 176.214 176.094 0.035 0.000 1.054 253 V CA -0.796 61.538 62.300 0.058 0.000 0.928 253 V CB 1.988 33.833 31.823 0.036 0.000 1.007 253 V HN 0.797 nan 8.190 nan 0.000 0.437 254 Q N 3.758 123.605 119.800 0.077 0.000 2.398 254 Q HA 0.418 4.754 4.340 -0.008 0.000 0.251 254 Q C -0.220 175.724 176.000 -0.092 0.000 0.999 254 Q CA -0.650 55.174 55.803 0.035 0.000 0.874 254 Q CB 0.775 29.624 28.738 0.184 0.000 1.215 254 Q HN 0.651 nan 8.270 nan 0.000 0.470 255 R N 1.308 121.556 120.500 -0.420 0.000 2.840 255 R HA 0.690 5.026 4.340 -0.008 0.000 0.282 255 R C 0.129 175.973 176.300 -0.759 0.000 1.133 255 R CA 0.678 56.266 56.100 -0.852 0.000 1.208 255 R CB 0.532 29.829 30.300 -1.671 0.000 1.160 255 R HN 0.803 nan 8.270 nan 0.000 0.576 256 G N -0.343 107.911 108.800 -0.911 0.000 2.368 256 G HA2 0.165 4.120 3.960 -0.008 0.000 0.303 256 G HA3 0.165 4.120 3.960 -0.008 0.000 0.303 256 G C -1.822 172.953 174.900 -0.208 0.000 1.590 256 G CA -0.978 43.917 45.100 -0.341 0.000 0.938 256 G HN 0.761 nan 8.290 nan 0.000 0.675 257 N N -0.970 117.759 118.700 0.047 0.000 2.487 257 N HA 0.609 5.344 4.740 -0.008 0.000 0.292 257 N C 0.910 176.498 175.510 0.130 0.000 1.108 257 N CA -0.789 52.348 53.050 0.145 0.000 0.956 257 N CB 1.524 40.169 38.487 0.264 0.000 1.176 257 N HN 0.806 nan 8.380 nan 0.000 0.484 258 I N -1.479 119.198 120.570 0.178 0.000 3.889 258 I HA 0.314 4.480 4.170 -0.008 0.000 0.332 258 I C -0.480 175.690 176.117 0.090 0.000 1.493 258 I CA -0.644 60.736 61.300 0.133 0.000 1.158 258 I CB -0.215 37.873 38.000 0.147 0.000 1.117 258 I HN 0.286 nan 8.210 nan 0.000 0.411 259 L N 1.426 122.666 121.223 0.029 0.000 2.473 259 L HA 0.163 4.498 4.340 -0.008 0.000 0.268 259 L C 0.047 176.883 176.870 -0.055 0.000 1.215 259 L CA 0.347 55.121 54.840 -0.110 0.000 0.823 259 L CB 0.280 42.144 42.059 -0.325 0.000 1.099 259 L HN 0.277 nan 8.230 nan 0.000 0.483 260 N N 1.488 120.144 118.700 -0.073 0.000 2.844 260 N HA 0.277 5.012 4.740 -0.008 0.000 0.268 260 N C -0.208 175.252 175.510 -0.084 0.000 1.574 260 N CA -0.166 52.855 53.050 -0.048 0.000 0.838 260 N CB 0.414 38.890 38.487 -0.018 0.000 1.177 260 N HN 0.425 nan 8.380 nan 0.000 0.495 261 L N 0.309 121.464 121.223 -0.113 0.000 2.779 261 L HA 0.167 4.502 4.340 -0.008 0.000 0.239 261 L C 1.266 178.038 176.870 -0.164 0.000 1.245 261 L CA -0.273 54.483 54.840 -0.140 0.000 1.064 261 L CB -0.657 41.297 42.059 -0.176 0.000 1.350 261 L HN 0.390 nan 8.230 nan 0.000 0.455 262 N N 1.781 120.395 118.700 -0.143 0.000 1.409 262 N HA -0.324 4.411 4.740 -0.008 0.000 0.113 262 N C 1.600 176.767 175.510 -0.571 0.000 0.398 262 N CA 2.491 55.416 53.050 -0.209 0.000 0.788 262 N CB -0.836 37.550 38.487 -0.167 0.000 0.637 262 N HN 0.537 nan 8.380 nan 0.000 1.398 263 G N 0.205 108.701 108.800 -0.506 0.000 2.866 263 G HA2 0.287 4.242 3.960 -0.008 0.000 0.207 263 G HA3 0.287 4.242 3.960 -0.008 0.000 0.207 263 G C 0.325 174.992 174.900 -0.388 0.000 1.402 263 G CA 2.264 47.033 45.100 -0.552 0.000 0.830 263 G HN 0.943 nan 8.290 nan 0.000 0.644 264 A N -4.149 118.525 122.820 -0.243 0.000 2.410 264 A HA 0.725 5.041 4.320 -0.008 0.000 0.300 264 A C 0.100 177.360 177.584 -0.541 0.000 1.077 264 A CA 0.469 52.264 52.037 -0.404 0.000 0.610 264 A CB 0.116 18.869 19.000 -0.412 0.000 1.371 264 A HN 2.510 nan 8.150 nan 0.000 0.510 265 G N -0.423 108.103 108.800 -0.457 0.000 2.603 265 G HA2 0.461 4.416 3.960 -0.008 0.000 0.686 265 G HA3 0.461 4.416 3.960 -0.008 0.000 0.686 265 G C -0.773 173.962 174.900 -0.276 0.000 1.286 265 G CA 0.468 45.319 45.100 -0.414 0.000 0.871 265 G HN 2.156 nan 8.290 nan 0.000 0.568 266 D N 0.487 120.750 120.400 -0.228 0.000 2.389 266 D HA 0.474 5.109 4.640 -0.008 0.000 0.247 266 D C -0.671 175.537 176.300 -0.153 0.000 1.128 266 D CA -1.664 52.245 54.000 -0.152 0.000 0.884 266 D CB 1.128 41.860 40.800 -0.113 0.000 1.194 266 D HN 0.087 nan 8.370 nan 0.000 0.441 267 P HA -0.087 nan 4.420 nan 0.000 0.224 267 P C 0.624 177.873 177.300 -0.085 0.000 1.142 267 P CA 1.127 64.142 63.100 -0.141 0.000 0.778 267 P CB 0.098 31.693 31.700 -0.175 0.000 0.764 268 L N -3.061 118.117 121.223 -0.074 0.000 2.642 268 L HA 0.169 4.504 4.340 -0.008 0.000 0.233 268 L C 0.943 177.788 176.870 -0.043 0.000 1.077 268 L CA 0.506 55.312 54.840 -0.057 0.000 0.879 268 L CB -0.238 41.784 42.059 -0.063 0.000 1.151 268 L HN -0.071 nan 8.230 nan 0.000 0.495 269 T N -1.020 113.497 114.554 -0.063 0.000 3.332 269 T HA 0.442 4.788 4.350 -0.008 0.000 0.385 269 T C -2.828 171.809 174.700 -0.106 0.000 1.695 269 T CA -1.977 60.099 62.100 -0.039 0.000 1.397 269 T CB 0.694 69.525 68.868 -0.062 0.000 1.100 269 T HN -0.212 nan 8.240 nan 0.000 0.669 270 P HA 0.461 nan 4.420 nan 0.000 0.287 270 P C 1.194 178.373 177.300 -0.201 0.000 1.294 270 P CA 0.540 63.545 63.100 -0.159 0.000 0.776 270 P CB 0.983 32.715 31.700 0.053 0.000 0.889 271 G N 2.311 110.824 108.800 -0.479 0.000 2.396 271 G HA2 -0.264 3.691 3.960 -0.008 0.000 0.242 271 G HA3 -0.264 3.691 3.960 -0.008 0.000 0.242 271 G C -0.359 174.051 174.900 -0.816 0.000 1.069 271 G CA -0.057 44.673 45.100 -0.617 0.000 0.633 271 G HN 0.489 nan 8.290 nan 0.000 0.517 272 Y N 0.854 121.080 120.300 -0.124 0.000 2.485 272 Y HA 0.621 5.165 4.550 -0.011 0.000 0.345 272 Y C -2.254 173.538 175.900 -0.180 0.000 0.998 272 Y CA -2.715 55.310 58.100 -0.126 0.000 1.059 272 Y CB 1.454 39.871 38.460 -0.072 0.000 1.234 272 Y HN -0.054 nan 8.280 nan 0.000 0.461 273 P HA 0.025 nan 4.420 nan 0.000 0.268 273 P C -0.508 176.732 177.300 -0.099 0.000 1.208 273 P CA 0.056 63.064 63.100 -0.154 0.000 0.777 273 P CB 0.626 32.272 31.700 -0.090 0.000 0.875 274 A N 2.376 125.150 122.820 -0.076 0.000 3.105 274 A HA 0.087 4.402 4.320 -0.008 0.000 0.272 274 A C 0.755 178.389 177.584 0.083 0.000 1.466 274 A CA -0.507 51.534 52.037 0.005 0.000 1.101 274 A CB -1.450 17.565 19.000 0.026 0.000 1.065 274 A HN 0.638 nan 8.150 nan 0.000 0.643 275 N N -0.468 118.221 118.700 -0.018 0.000 2.326 275 N HA 0.006 4.741 4.740 -0.008 0.000 0.239 275 N C 0.308 175.736 175.510 -0.137 0.000 1.301 275 N CA -0.173 52.818 53.050 -0.098 0.000 0.909 275 N CB 0.698 39.018 38.487 -0.279 0.000 1.156 275 N HN 0.405 nan 8.380 nan 0.000 0.462 276 E N -0.290 119.880 120.200 -0.050 0.000 2.118 276 E HA -0.239 4.106 4.350 -0.008 0.000 0.195 276 E C 1.037 177.680 176.600 0.071 0.000 0.992 276 E CA 1.620 58.043 56.400 0.039 0.000 0.804 276 E CB -0.407 29.360 29.700 0.111 0.000 0.741 276 E HN 0.797 nan 8.360 nan 0.000 0.458 277 Y N -0.776 119.544 120.300 0.032 0.000 2.461 277 Y HA 0.549 5.093 4.550 -0.009 0.000 0.277 277 Y C 0.665 176.593 175.900 0.047 0.000 1.182 277 Y CA -0.443 57.677 58.100 0.034 0.000 1.276 277 Y CB -0.208 38.266 38.460 0.023 0.000 1.087 277 Y HN -0.173 nan 8.280 nan 0.000 0.519 278 A N 1.160 123.847 122.820 -0.222 0.000 2.387 278 A HA 0.140 4.455 4.320 -0.008 0.000 0.251 278 A C -1.213 176.399 177.584 0.047 0.000 1.113 278 A CA -0.037 51.916 52.037 -0.140 0.000 0.794 278 A CB -0.205 18.706 19.000 -0.149 0.000 1.069 278 A HN 0.604 nan 8.150 nan 0.000 0.506 279 Y N 1.363 121.628 120.300 -0.058 0.000 2.376 279 Y HA 0.429 4.976 4.550 -0.006 0.000 0.326 279 Y C 0.209 176.098 175.900 -0.018 0.000 0.970 279 Y CA -0.977 57.108 58.100 -0.026 0.000 1.248 279 Y CB 0.619 39.062 38.460 -0.027 0.000 1.117 279 Y HN 0.651 nan 8.280 nan 0.000 0.476 280 R N 4.598 124.836 120.500 -0.437 0.000 2.641 280 R HA 0.256 4.591 4.340 -0.008 0.000 0.269 280 R C 0.934 176.956 176.300 -0.462 0.000 1.074 280 R CA -0.348 55.554 56.100 -0.329 0.000 1.133 280 R CB 0.660 30.828 30.300 -0.220 0.000 1.029 280 R HN 0.855 nan 8.270 nan 0.000 0.488 281 R N 0.598 120.974 120.500 -0.206 0.000 2.061 281 R HA -0.014 4.321 4.340 -0.008 0.000 0.230 281 R C 0.318 176.546 176.300 -0.119 0.000 1.140 281 R CA 1.457 57.483 56.100 -0.122 0.000 0.940 281 R CB -0.095 30.189 30.300 -0.027 0.000 0.839 281 R HN 0.924 nan 8.270 nan 0.000 0.429 282 G N -0.119 108.627 108.800 -0.091 0.000 3.306 282 G HA2 -0.089 3.866 3.960 -0.008 0.000 0.672 282 G HA3 -0.089 3.866 3.960 -0.008 0.000 0.672 282 G C 0.220 175.109 174.900 -0.018 0.000 1.212 282 G CA -0.629 44.436 45.100 -0.058 0.000 1.150 282 G HN 0.069 nan 8.290 nan 0.000 0.509 283 I N 1.427 121.994 120.570 -0.004 0.000 2.600 283 I HA -0.423 3.742 4.170 -0.008 0.000 0.230 283 I C 3.221 179.349 176.117 0.018 0.000 0.913 283 I CA 3.691 65.002 61.300 0.019 0.000 1.228 283 I CB -0.753 37.266 38.000 0.032 0.000 0.943 283 I HN 1.183 nan 8.210 nan 0.000 0.391 284 A N -0.578 122.252 122.820 0.016 0.000 1.884 284 A HA -0.254 4.062 4.320 -0.008 0.000 0.219 284 A C 1.876 179.468 177.584 0.014 0.000 1.197 284 A CA 2.262 54.309 52.037 0.017 0.000 0.637 284 A CB -0.754 18.256 19.000 0.016 0.000 0.827 284 A HN 0.668 nan 8.150 nan 0.000 0.450 285 E N -0.095 120.112 120.200 0.012 0.000 2.349 285 E HA 0.486 4.831 4.350 -0.008 0.000 0.201 285 E C 0.455 177.058 176.600 0.006 0.000 1.087 285 E CA -0.115 56.293 56.400 0.013 0.000 1.128 285 E CB 0.061 29.774 29.700 0.022 0.000 1.188 285 E HN 0.604 nan 8.360 nan 0.000 0.445 286 A N 0.683 123.503 122.820 -0.000 0.000 2.256 286 A HA 0.285 4.601 4.320 -0.008 0.000 0.276 286 A C 0.326 177.898 177.584 -0.021 0.000 1.259 286 A CA -0.327 51.702 52.037 -0.013 0.000 0.813 286 A CB 0.514 19.506 19.000 -0.012 0.000 1.200 286 A HN 0.126 nan 8.150 nan 0.000 0.506 287 V N 0.277 120.164 119.914 -0.045 0.000 2.293 287 V HA 0.534 4.649 4.120 -0.008 0.000 0.275 287 V C 1.029 177.076 176.094 -0.079 0.000 1.021 287 V CA 0.544 62.811 62.300 -0.054 0.000 0.815 287 V CB -0.127 31.660 31.823 -0.059 0.000 1.025 287 V HN 1.899 nan 8.190 nan 0.000 0.448 288 G N 4.629 113.397 108.800 -0.053 0.000 2.198 288 G HA2 -0.221 3.734 3.960 -0.008 0.000 0.260 288 G HA3 -0.221 3.734 3.960 -0.008 0.000 0.260 288 G C 0.051 174.922 174.900 -0.048 0.000 1.025 288 G CA 0.088 45.157 45.100 -0.052 0.000 0.769 288 G HN 0.574 nan 8.290 nan 0.000 0.507 289 L N 0.159 121.365 121.223 -0.028 0.000 2.417 289 L HA 0.354 4.689 4.340 -0.008 0.000 0.268 289 L C -1.296 175.601 176.870 0.045 0.000 1.158 289 L CA -1.830 53.017 54.840 0.012 0.000 0.819 289 L CB 0.456 42.542 42.059 0.046 0.000 1.112 289 L HN -0.025 nan 8.230 nan 0.000 0.458 290 P HA 0.086 nan 4.420 nan 0.000 0.274 290 P C -0.103 177.243 177.300 0.077 0.000 1.246 290 P CA -0.376 62.774 63.100 0.084 0.000 0.795 290 P CB 0.780 32.548 31.700 0.115 0.000 1.006 291 S N -0.055 115.684 115.700 0.065 0.000 2.559 291 S HA 0.257 4.722 4.470 -0.008 0.000 0.226 291 S C 0.486 175.119 174.600 0.056 0.000 1.000 291 S CA -0.172 58.061 58.200 0.055 0.000 0.948 291 S CB -0.366 62.858 63.200 0.040 0.000 0.870 291 S HN 0.424 nan 8.310 nan 0.000 0.497 292 I N -1.346 119.264 120.570 0.068 0.000 2.752 292 I HA 0.614 4.780 4.170 -0.008 0.000 0.295 292 I C -3.233 172.933 176.117 0.081 0.000 1.219 292 I CA -2.684 58.655 61.300 0.065 0.000 1.030 292 I CB 1.166 39.202 38.000 0.059 0.000 1.259 292 I HN -0.240 nan 8.210 nan 0.000 0.423 293 P HA 0.098 nan 4.420 nan 0.000 0.266 293 P C -0.659 176.707 177.300 0.109 0.000 1.186 293 P CA 0.240 63.391 63.100 0.086 0.000 0.767 293 P CB 0.955 32.685 31.700 0.050 0.000 0.820 294 V N 3.110 123.107 119.914 0.138 0.000 2.808 294 V HA 0.425 4.540 4.120 -0.008 0.000 0.308 294 V C -0.353 175.860 176.094 0.198 0.000 1.099 294 V CA -0.428 61.964 62.300 0.154 0.000 0.920 294 V CB 2.088 33.997 31.823 0.144 0.000 1.014 294 V HN 0.737 nan 8.190 nan 0.000 0.425 295 H N 3.950 123.066 119.070 0.077 0.000 2.974 295 H HA 0.490 5.041 4.556 -0.008 0.000 0.366 295 H C -3.065 172.291 175.328 0.047 0.000 1.155 295 H CA -1.745 54.346 56.048 0.072 0.000 1.186 295 H CB 3.592 33.388 29.762 0.057 0.000 1.799 295 H HN 0.382 nan 8.280 nan 0.000 0.541 296 P HA 0.269 nan 4.420 nan 0.000 0.285 296 P C -0.740 176.598 177.300 0.063 0.000 1.259 296 P CA -0.412 62.617 63.100 -0.118 0.000 0.794 296 P CB 1.153 32.743 31.700 -0.183 0.000 0.940 297 I N 1.896 122.515 120.570 0.082 0.000 2.646 297 I HA 0.573 4.738 4.170 -0.008 0.000 0.299 297 I C 0.566 176.754 176.117 0.118 0.000 1.036 297 I CA -0.450 60.932 61.300 0.136 0.000 1.074 297 I CB 1.885 39.978 38.000 0.156 0.000 1.258 297 I HN 0.366 nan 8.210 nan 0.000 0.430 298 G N 3.376 112.220 108.800 0.073 0.000 2.451 298 G HA2 0.282 4.238 3.960 -0.008 0.000 0.303 298 G HA3 0.282 4.238 3.960 -0.008 0.000 0.303 298 G C 0.185 175.091 174.900 0.010 0.000 1.166 298 G CA -0.181 44.908 45.100 -0.018 0.000 0.884 298 G HN 0.699 nan 8.290 nan 0.000 0.514 299 Y N -1.192 119.142 120.300 0.056 0.000 2.293 299 Y HA -0.051 4.494 4.550 -0.008 0.000 0.291 299 Y C 2.132 178.086 175.900 0.089 0.000 1.137 299 Y CA 0.821 58.953 58.100 0.054 0.000 1.202 299 Y CB -0.685 37.813 38.460 0.063 0.000 0.990 299 Y HN 0.603 nan 8.280 nan 0.000 0.537 300 Y N 0.917 121.121 120.300 -0.160 0.000 2.256 300 Y HA -0.260 4.285 4.550 -0.008 0.000 0.288 300 Y C 2.236 178.095 175.900 -0.069 0.000 1.155 300 Y CA 0.849 58.901 58.100 -0.080 0.000 1.203 300 Y CB -0.074 38.306 38.460 -0.134 0.000 0.980 300 Y HN 0.312 nan 8.280 nan 0.000 0.530 301 D N -0.292 120.189 120.400 0.134 0.000 2.213 301 D HA -0.057 4.578 4.640 -0.008 0.000 0.205 301 D C 2.096 178.451 176.300 0.093 0.000 0.961 301 D CA 0.756 54.852 54.000 0.159 0.000 0.853 301 D CB 0.227 41.124 40.800 0.162 0.000 0.967 301 D HN 0.310 nan 8.370 nan 0.000 0.496 302 A N 0.858 123.675 122.820 -0.005 0.000 1.929 302 A HA -0.166 4.149 4.320 -0.008 0.000 0.216 302 A C 2.117 179.544 177.584 -0.263 0.000 1.176 302 A CA 1.127 53.043 52.037 -0.202 0.000 0.628 302 A CB -0.492 18.202 19.000 -0.510 0.000 0.816 302 A HN 0.225 nan 8.150 nan 0.000 0.444 303 Q N -0.135 119.551 119.800 -0.190 0.000 2.002 303 Q HA -0.246 4.089 4.340 -0.008 0.000 0.204 303 Q C 1.648 177.463 176.000 -0.309 0.000 0.988 303 Q CA 1.782 57.437 55.803 -0.247 0.000 0.843 303 Q CB -0.183 28.460 28.738 -0.158 0.000 0.908 303 Q HN 0.374 nan 8.270 nan 0.000 0.420 304 K N 0.349 120.559 120.400 -0.317 0.000 2.228 304 K HA -0.157 4.158 4.320 -0.008 0.000 0.205 304 K C 2.053 178.411 176.600 -0.405 0.000 1.045 304 K CA 1.031 57.018 56.287 -0.501 0.000 0.931 304 K CB -0.265 31.661 32.500 -0.957 0.000 0.727 304 K HN 0.354 nan 8.250 nan 0.000 0.458 305 L N -0.338 120.758 121.223 -0.212 0.000 2.168 305 L HA -0.023 4.313 4.340 -0.008 0.000 0.203 305 L C 2.168 178.868 176.870 -0.283 0.000 1.078 305 L CA 0.403 55.165 54.840 -0.130 0.000 0.780 305 L CB -0.222 41.863 42.059 0.043 0.000 0.939 305 L HN 0.012 nan 8.230 nan 0.000 0.451 306 L N -0.329 120.701 121.223 -0.323 0.000 2.376 306 L HA -0.123 4.213 4.340 -0.008 0.000 0.219 306 L C 2.412 179.009 176.870 -0.455 0.000 1.133 306 L CA 0.602 55.210 54.840 -0.386 0.000 0.816 306 L CB -0.358 41.394 42.059 -0.512 0.000 0.933 306 L HN 0.315 nan 8.230 nan 0.000 0.449 307 E N 1.208 121.121 120.200 -0.479 0.000 2.001 307 E HA -0.240 4.105 4.350 -0.008 0.000 0.195 307 E C 1.813 178.060 176.600 -0.588 0.000 1.002 307 E CA 1.355 57.460 56.400 -0.491 0.000 0.819 307 E CB 0.089 29.500 29.700 -0.480 0.000 0.769 307 E HN 0.399 nan 8.360 nan 0.000 0.454 308 K N 0.133 120.023 120.400 -0.850 0.000 2.442 308 K HA -0.080 4.235 4.320 -0.008 0.000 0.198 308 K C 0.745 176.780 176.600 -0.943 0.000 1.042 308 K CA -0.032 55.569 56.287 -1.142 0.000 0.958 308 K CB -0.262 31.238 32.500 -1.668 0.000 0.766 308 K HN 0.179 nan 8.250 nan 0.000 0.474 309 M N 1.621 120.791 119.600 -0.717 0.000 2.504 309 M HA -0.055 4.420 4.480 -0.008 0.000 0.378 309 M C 0.140 176.409 176.300 -0.052 0.000 1.706 309 M CA 0.464 55.636 55.300 -0.212 0.000 1.036 309 M CB 0.283 32.789 32.600 -0.156 0.000 2.129 309 M HN 0.107 nan 8.290 nan 0.000 0.474 310 G N 4.487 113.380 108.800 0.155 0.000 4.373 310 G HA2 0.558 4.514 3.960 -0.008 0.000 0.337 310 G HA3 0.558 4.514 3.960 -0.008 0.000 0.337 310 G C 0.240 175.212 174.900 0.120 0.000 1.442 310 G CA -0.254 44.912 45.100 0.111 0.000 1.150 310 G HN 0.990 nan 8.290 nan 0.000 0.517 311 G N 0.870 109.726 108.800 0.094 0.000 3.022 311 G HA2 0.677 4.632 3.960 -0.008 0.000 0.157 311 G HA3 0.677 4.632 3.960 -0.008 0.000 0.157 311 G C 0.349 175.287 174.900 0.064 0.000 1.468 311 G CA 0.372 45.529 45.100 0.095 0.000 1.058 311 G HN 1.101 nan 8.290 nan 0.000 0.581 312 S N -2.184 113.551 115.700 0.058 0.000 2.806 312 S HA 0.641 5.106 4.470 -0.008 0.000 0.306 312 S C 0.082 174.687 174.600 0.008 0.000 1.167 312 S CA 0.053 58.270 58.200 0.029 0.000 0.847 312 S CB 1.010 64.225 63.200 0.025 0.000 1.216 312 S HN 1.750 nan 8.310 nan 0.000 0.532 313 A N 1.712 124.524 122.820 -0.014 0.000 2.488 313 A HA 0.263 4.578 4.320 -0.008 0.000 0.285 313 A C -2.393 175.133 177.584 -0.097 0.000 1.059 313 A CA -0.104 51.907 52.037 -0.044 0.000 0.977 313 A CB -1.553 17.418 19.000 -0.049 0.000 0.908 313 A HN 0.514 nan 8.150 nan 0.000 0.514 314 P HA 0.179 nan 4.420 nan 0.000 0.267 314 P C -1.667 175.439 177.300 -0.323 0.000 1.328 314 P CA -0.934 62.071 63.100 -0.158 0.000 0.990 314 P CB 0.381 32.097 31.700 0.027 0.000 1.168 315 P HA -0.288 nan 4.420 nan 0.000 0.246 315 P C 0.252 177.365 177.300 -0.312 0.000 0.850 315 P CA 1.466 64.257 63.100 -0.516 0.000 1.109 315 P CB -0.141 31.014 31.700 -0.909 0.000 0.744 316 D N -1.491 118.738 120.400 -0.285 0.000 2.414 316 D HA 0.052 4.688 4.640 -0.008 0.000 0.259 316 D C 1.301 177.609 176.300 0.013 0.000 1.269 316 D CA 0.499 54.471 54.000 -0.046 0.000 1.028 316 D CB -0.072 40.785 40.800 0.096 0.000 1.093 316 D HN 0.239 nan 8.370 nan 0.000 0.545 317 S N -1.544 114.195 115.700 0.067 0.000 2.593 317 S HA -0.064 4.402 4.470 -0.008 0.000 0.217 317 S C 1.548 176.211 174.600 0.104 0.000 0.966 317 S CA 0.320 58.562 58.200 0.070 0.000 0.914 317 S CB -0.191 63.039 63.200 0.050 0.000 0.776 317 S HN 0.406 nan 8.310 nan 0.000 0.523 318 S N -0.357 115.454 115.700 0.184 0.000 2.470 318 S HA 0.058 4.523 4.470 -0.008 0.000 0.225 318 S C 0.804 175.505 174.600 0.169 0.000 1.006 318 S CA -0.295 58.016 58.200 0.184 0.000 0.934 318 S CB -0.862 62.477 63.200 0.232 0.000 0.778 318 S HN 0.670 nan 8.310 nan 0.000 0.517 319 W N 3.194 124.443 121.300 -0.085 0.000 3.316 319 W HA 0.315 4.970 4.660 -0.008 0.000 0.258 319 W C 0.388 176.776 176.519 -0.218 0.000 1.330 319 W CA -0.792 56.515 57.345 -0.063 0.000 1.595 319 W CB -0.598 28.911 29.460 0.081 0.000 1.088 319 W HN 0.159 nan 8.180 nan 0.000 0.734 320 R N -0.032 120.338 120.500 -0.216 0.000 2.246 320 R HA 0.393 4.728 4.340 -0.008 0.000 0.332 320 R C 1.084 176.794 176.300 -0.984 0.000 0.974 320 R CA -0.275 55.387 56.100 -0.730 0.000 0.837 320 R CB 0.832 31.008 30.300 -0.206 0.000 1.145 320 R HN -0.012 nan 8.270 nan 0.000 0.467 321 G N 1.348 108.931 108.800 -2.028 0.000 3.474 321 G HA2 -0.036 3.919 3.960 -0.008 0.000 0.269 321 G HA3 -0.036 3.919 3.960 -0.008 0.000 0.269 321 G C 0.639 175.411 174.900 -0.214 0.000 1.339 321 G CA 0.018 44.637 45.100 -0.802 0.000 1.258 321 G HN 0.751 nan 8.290 nan 0.000 0.560 322 S N -1.534 114.082 115.700 -0.140 0.000 3.462 322 S HA -0.222 4.243 4.470 -0.008 0.000 0.370 322 S C 0.415 175.057 174.600 0.071 0.000 1.028 322 S CA 0.717 58.929 58.200 0.020 0.000 1.119 322 S CB -2.261 60.929 63.200 -0.017 0.000 0.906 322 S HN 0.380 nan 8.310 nan 0.000 0.471 323 L N 0.109 121.467 121.223 0.226 0.000 2.358 323 L HA 0.423 4.758 4.340 -0.008 0.000 0.268 323 L C 1.300 178.145 176.870 -0.041 0.000 1.032 323 L CA -1.106 53.757 54.840 0.037 0.000 0.805 323 L CB 0.680 42.726 42.059 -0.022 0.000 1.253 323 L HN 0.191 nan 8.230 nan 0.000 0.452 324 K N 0.796 121.141 120.400 -0.092 0.000 3.156 324 K HA 0.139 4.454 4.320 -0.008 0.000 0.276 324 K C -0.573 175.926 176.600 -0.168 0.000 0.852 324 K CA 0.065 56.287 56.287 -0.108 0.000 1.083 324 K CB -0.315 32.120 32.500 -0.109 0.000 1.018 324 K HN 0.201 nan 8.250 nan 0.000 0.444 325 V N 0.981 120.764 119.914 -0.218 0.000 3.204 325 V HA 0.270 4.385 4.120 -0.008 0.000 0.298 325 V C -2.612 173.269 176.094 -0.355 0.000 1.328 325 V CA -2.025 60.091 62.300 -0.308 0.000 1.035 325 V CB 2.705 34.278 31.823 -0.417 0.000 1.095 325 V HN 0.131 nan 8.190 nan 0.000 0.442 326 P HA 0.301 nan 4.420 nan 0.000 0.286 326 P C -1.497 175.617 177.300 -0.311 0.000 1.269 326 P CA -0.129 62.861 63.100 -0.183 0.000 0.787 326 P CB 0.398 32.032 31.700 -0.110 0.000 0.920 327 Y N 2.046 122.256 120.300 -0.150 0.000 2.594 327 Y HA 0.145 4.690 4.550 -0.008 0.000 0.344 327 Y C 1.069 176.928 175.900 -0.068 0.000 1.185 327 Y CA 0.182 58.149 58.100 -0.222 0.000 1.565 327 Y CB -0.435 37.850 38.460 -0.291 0.000 1.415 327 Y HN 0.212 nan 8.280 nan 0.000 0.488 328 N N 1.604 120.305 118.700 0.002 0.000 2.438 328 N HA 0.206 4.941 4.740 -0.008 0.000 0.282 328 N C 0.637 176.279 175.510 0.220 0.000 1.037 328 N CA -0.119 52.987 53.050 0.094 0.000 0.942 328 N CB 2.238 40.744 38.487 0.033 0.000 1.136 328 N HN 0.295 nan 8.380 nan 0.000 0.481 329 V N 1.548 121.622 119.914 0.266 0.000 2.278 329 V HA 0.041 4.156 4.120 -0.008 0.000 0.238 329 V C 1.544 177.775 176.094 0.229 0.000 1.039 329 V CA 0.893 63.394 62.300 0.336 0.000 1.017 329 V CB -1.121 30.846 31.823 0.241 0.000 0.657 329 V HN 0.837 nan 8.190 nan 0.000 0.462 330 G N 2.106 110.997 108.800 0.151 0.000 2.754 330 G HA2 -0.091 3.864 3.960 -0.008 0.000 0.228 330 G HA3 -0.091 3.864 3.960 -0.008 0.000 0.228 330 G C -2.445 172.535 174.900 0.133 0.000 1.016 330 G CA -0.321 44.852 45.100 0.122 0.000 0.898 330 G HN 0.344 nan 8.290 nan 0.000 0.463 331 P HA 0.243 nan 4.420 nan 0.000 0.269 331 P C 1.197 178.541 177.300 0.073 0.000 1.211 331 P CA 1.279 64.429 63.100 0.085 0.000 0.781 331 P CB 0.235 31.970 31.700 0.060 0.000 0.877 332 G N 0.578 109.380 108.800 0.004 0.000 2.681 332 G HA2 -0.246 3.710 3.960 -0.008 0.000 0.320 332 G HA3 -0.246 3.710 3.960 -0.008 0.000 0.320 332 G C -0.417 174.570 174.900 0.146 0.000 1.339 332 G CA -0.434 44.605 45.100 -0.102 0.000 0.916 332 G HN 0.419 nan 8.290 nan 0.000 0.559 333 F N -0.223 119.762 119.950 0.058 0.000 2.518 333 F HA 0.717 5.239 4.527 -0.008 0.000 0.338 333 F C 1.163 177.011 175.800 0.080 0.000 1.065 333 F CA -0.398 57.634 58.000 0.053 0.000 1.012 333 F CB 2.359 41.406 39.000 0.078 0.000 1.297 333 F HN 0.811 nan 8.300 nan 0.000 0.489 334 T N -1.952 112.781 114.554 0.297 0.000 2.888 334 T HA 0.758 5.103 4.350 -0.008 0.000 0.288 334 T C 0.103 174.944 174.700 0.234 0.000 1.063 334 T CA -0.216 62.005 62.100 0.202 0.000 1.010 334 T CB 1.356 70.297 68.868 0.121 0.000 1.214 334 T HN 1.232 nan 8.240 nan 0.000 0.533 335 G N 1.819 110.713 108.800 0.157 0.000 2.550 335 G HA2 -0.367 3.588 3.960 -0.008 0.000 0.277 335 G HA3 -0.367 3.588 3.960 -0.008 0.000 0.277 335 G C 0.870 175.828 174.900 0.098 0.000 1.190 335 G CA 0.503 45.682 45.100 0.132 0.000 0.971 335 G HN 1.007 nan 8.290 nan 0.000 0.559 336 N N 0.406 119.123 118.700 0.028 0.000 2.430 336 N HA -0.052 4.683 4.740 -0.008 0.000 0.186 336 N C 0.361 175.663 175.510 -0.347 0.000 1.032 336 N CA 1.229 54.146 53.050 -0.222 0.000 0.893 336 N CB -0.270 37.971 38.487 -0.409 0.000 0.957 336 N HN 0.379 nan 8.380 nan 0.000 0.442 337 F N -0.066 119.924 119.950 0.067 0.000 2.291 337 F HA 0.322 4.845 4.527 -0.008 0.000 0.368 337 F C 1.184 177.082 175.800 0.164 0.000 1.085 337 F CA -0.565 57.518 58.000 0.139 0.000 1.165 337 F CB 1.494 40.596 39.000 0.170 0.000 1.429 337 F HN -0.200 nan 8.300 nan 0.000 0.503 338 S N 0.452 116.281 115.700 0.215 0.000 2.882 338 S HA -0.009 4.457 4.470 -0.008 0.000 0.258 338 S C 1.695 176.345 174.600 0.084 0.000 1.081 338 S CA 0.420 58.706 58.200 0.143 0.000 0.886 338 S CB 0.103 63.354 63.200 0.085 0.000 0.855 338 S HN 0.503 nan 8.310 nan 0.000 0.467 339 T N 2.750 117.347 114.554 0.071 0.000 3.113 339 T HA 0.191 4.536 4.350 -0.008 0.000 0.256 339 T C 0.369 175.098 174.700 0.048 0.000 1.131 339 T CA 0.301 62.425 62.100 0.040 0.000 1.074 339 T CB -0.052 68.833 68.868 0.029 0.000 0.944 339 T HN 0.308 nan 8.240 nan 0.000 0.516 340 Q N 2.014 121.884 119.800 0.117 0.000 2.311 340 Q HA 0.332 4.668 4.340 -0.008 0.000 0.272 340 Q C -0.230 175.681 176.000 -0.149 0.000 1.012 340 Q CA 0.778 56.679 55.803 0.163 0.000 0.891 340 Q CB 0.724 29.816 28.738 0.589 0.000 1.201 340 Q HN 0.427 nan 8.270 nan 0.000 0.391 341 K N 0.423 120.755 120.400 -0.114 0.000 2.542 341 K HA 0.325 4.640 4.320 -0.008 0.000 0.259 341 K C -0.805 175.764 176.600 -0.052 0.000 0.932 341 K CA -0.701 55.445 56.287 -0.235 0.000 0.820 341 K CB 2.053 34.474 32.500 -0.132 0.000 1.345 341 K HN 0.467 nan 8.250 nan 0.000 0.432 342 V N -0.642 119.244 119.914 -0.047 0.000 2.649 342 V HA 0.496 4.611 4.120 -0.008 0.000 0.292 342 V C -0.296 175.835 176.094 0.061 0.000 1.055 342 V CA -0.265 62.086 62.300 0.085 0.000 1.023 342 V CB 1.118 33.023 31.823 0.138 0.000 0.992 342 V HN 0.746 nan 8.190 nan 0.000 0.480 343 K N 4.790 125.251 120.400 0.101 0.000 2.426 343 K HA 0.638 4.953 4.320 -0.008 0.000 0.254 343 K C -0.900 175.767 176.600 0.112 0.000 0.936 343 K CA -0.800 55.532 56.287 0.075 0.000 0.801 343 K CB 1.838 34.404 32.500 0.110 0.000 1.139 343 K HN 0.902 nan 8.250 nan 0.000 0.424 344 M N 3.752 123.344 119.600 -0.013 0.000 2.264 344 M HA 0.274 4.749 4.480 -0.008 0.000 0.352 344 M C -0.493 175.673 176.300 -0.224 0.000 1.173 344 M CA -0.424 54.846 55.300 -0.050 0.000 1.075 344 M CB 1.294 33.863 32.600 -0.050 0.000 1.621 344 M HN 0.434 nan 8.290 nan 0.000 0.457 345 H N 4.570 123.316 119.070 -0.539 0.000 2.786 345 H HA 0.489 5.040 4.556 -0.008 0.000 0.284 345 H C -1.103 173.770 175.328 -0.758 0.000 1.104 345 H CA -0.367 55.241 56.048 -0.733 0.000 1.339 345 H CB 1.006 30.023 29.762 -1.241 0.000 1.427 345 H HN 0.562 nan 8.280 nan 0.000 0.497 346 I N 4.006 124.273 120.570 -0.505 0.000 2.418 346 I HA 0.139 4.305 4.170 -0.008 0.000 0.287 346 I C -0.187 175.747 176.117 -0.305 0.000 1.008 346 I CA -0.675 60.426 61.300 -0.332 0.000 1.104 346 I CB 1.377 39.336 38.000 -0.068 0.000 1.264 346 I HN 0.583 nan 8.210 nan 0.000 0.438 347 H N 4.076 123.167 119.070 0.035 0.000 2.551 347 H HA 0.379 4.930 4.556 -0.008 0.000 0.238 347 H C -0.486 174.862 175.328 0.033 0.000 1.345 347 H CA -0.363 55.712 56.048 0.045 0.000 1.105 347 H CB 0.561 30.375 29.762 0.086 0.000 1.805 347 H HN 0.350 nan 8.280 nan 0.000 0.553 348 S N 1.228 116.988 115.700 0.099 0.000 2.617 348 S HA 0.521 4.986 4.470 -0.008 0.000 0.283 348 S C 0.634 175.261 174.600 0.045 0.000 1.189 348 S CA -0.616 57.607 58.200 0.039 0.000 1.036 348 S CB 1.883 65.081 63.200 -0.003 0.000 1.014 348 S HN 0.532 nan 8.310 nan 0.000 0.522 349 T N 0.226 114.794 114.554 0.023 0.000 2.887 349 T HA 0.504 4.850 4.350 -0.008 0.000 0.288 349 T C -0.863 173.836 174.700 -0.001 0.000 1.021 349 T CA -1.111 61.005 62.100 0.027 0.000 1.000 349 T CB 0.779 69.666 68.868 0.032 0.000 1.034 349 T HN 0.417 nan 8.240 nan 0.000 0.467 350 N N 2.342 121.047 118.700 0.008 0.000 2.426 350 N HA 0.357 5.092 4.740 -0.008 0.000 0.275 350 N C -0.585 174.925 175.510 -0.001 0.000 1.019 350 N CA -0.401 52.639 53.050 -0.017 0.000 0.941 350 N CB 1.630 40.158 38.487 0.069 0.000 1.123 350 N HN 0.696 nan 8.380 nan 0.000 0.486 351 E N 0.533 120.717 120.200 -0.027 0.000 2.293 351 E HA 0.316 4.661 4.350 -0.008 0.000 0.270 351 E C -0.690 175.904 176.600 -0.010 0.000 0.879 351 E CA -0.909 55.494 56.400 0.006 0.000 0.756 351 E CB 2.505 32.238 29.700 0.054 0.000 1.208 351 E HN 0.164 nan 8.360 nan 0.000 0.428 352 V N 2.535 122.447 119.914 -0.004 0.000 2.415 352 V HA 0.152 4.267 4.120 -0.008 0.000 0.267 352 V C 0.011 176.095 176.094 -0.018 0.000 1.042 352 V CA 0.096 62.387 62.300 -0.014 0.000 1.000 352 V CB 0.326 32.138 31.823 -0.018 0.000 1.015 352 V HN 0.629 nan 8.190 nan 0.000 0.478 353 T N 4.980 119.516 114.554 -0.031 0.000 2.856 353 T HA 0.501 4.846 4.350 -0.008 0.000 0.283 353 T C 0.011 174.673 174.700 -0.064 0.000 1.008 353 T CA -0.677 61.405 62.100 -0.030 0.000 0.997 353 T CB 1.658 70.524 68.868 -0.003 0.000 0.992 353 T HN 0.689 nan 8.240 nan 0.000 0.454 354 R N 3.008 123.450 120.500 -0.097 0.000 2.442 354 R HA 0.483 4.818 4.340 -0.008 0.000 0.291 354 R C -0.247 175.914 176.300 -0.231 0.000 1.069 354 R CA -0.240 55.731 56.100 -0.214 0.000 1.022 354 R CB -0.186 29.929 30.300 -0.309 0.000 0.976 354 R HN 0.721 nan 8.270 nan 0.000 0.443 355 I N 0.620 121.017 120.570 -0.289 0.000 2.785 355 I HA 0.534 4.700 4.170 -0.008 0.000 0.302 355 I C -1.378 174.562 176.117 -0.295 0.000 1.069 355 I CA -1.346 59.882 61.300 -0.120 0.000 1.045 355 I CB 2.077 40.097 38.000 0.034 0.000 1.236 355 I HN 0.481 nan 8.210 nan 0.000 0.429 356 Y N 2.092 122.403 120.300 0.018 0.000 2.425 356 Y HA 0.522 5.068 4.550 -0.007 0.000 0.344 356 Y C -0.413 175.531 175.900 0.072 0.000 0.969 356 Y CA -0.943 57.179 58.100 0.036 0.000 1.052 356 Y CB 1.684 40.151 38.460 0.011 0.000 1.215 356 Y HN 0.492 nan 8.280 nan 0.000 0.451 357 N N 1.433 120.256 118.700 0.205 0.000 2.372 357 N HA 0.439 5.174 4.740 -0.008 0.000 0.285 357 N C -1.293 174.212 175.510 -0.008 0.000 1.008 357 N CA -0.488 52.626 53.050 0.107 0.000 0.880 357 N CB 2.447 41.034 38.487 0.167 0.000 1.239 357 N HN 0.323 nan 8.380 nan 0.000 0.484 358 V N 3.749 123.591 119.914 -0.120 0.000 2.461 358 V HA 0.406 4.522 4.120 -0.008 0.000 0.275 358 V C 0.466 176.512 176.094 -0.080 0.000 1.047 358 V CA -0.326 61.888 62.300 -0.144 0.000 0.955 358 V CB 0.795 32.385 31.823 -0.388 0.000 0.988 358 V HN 0.480 nan 8.190 nan 0.000 0.471 359 I N 4.718 125.304 120.570 0.027 0.000 2.466 359 I HA 0.408 4.573 4.170 -0.008 0.000 0.279 359 I C 0.755 176.998 176.117 0.210 0.000 1.033 359 I CA -0.203 61.123 61.300 0.044 0.000 1.123 359 I CB 1.503 39.455 38.000 -0.079 0.000 1.237 359 I HN 0.714 nan 8.210 nan 0.000 0.460 360 G N 3.761 112.784 108.800 0.371 0.000 2.420 360 G HA2 0.594 4.549 3.960 -0.008 0.000 0.284 360 G HA3 0.594 4.549 3.960 -0.008 0.000 0.284 360 G C -0.459 174.551 174.900 0.183 0.000 1.177 360 G CA -0.019 45.273 45.100 0.319 0.000 0.841 360 G HN 0.446 nan 8.290 nan 0.000 0.527 361 T N 1.028 115.671 114.554 0.149 0.000 2.921 361 T HA 0.393 4.738 4.350 -0.008 0.000 0.297 361 T C -1.111 173.631 174.700 0.070 0.000 1.013 361 T CA -0.353 61.785 62.100 0.064 0.000 0.990 361 T CB 1.662 70.549 68.868 0.031 0.000 1.023 361 T HN 0.369 nan 8.240 nan 0.000 0.447 362 L N 3.744 124.975 121.223 0.014 0.000 2.353 362 L HA 0.499 4.834 4.340 -0.008 0.000 0.270 362 L C 0.310 177.134 176.870 -0.077 0.000 1.003 362 L CA -0.631 54.210 54.840 0.003 0.000 0.862 362 L CB 0.810 42.889 42.059 0.033 0.000 1.221 362 L HN 0.565 nan 8.230 nan 0.000 0.430 363 R N 2.963 123.433 120.500 -0.051 0.000 2.537 363 R HA 0.257 4.592 4.340 -0.008 0.000 0.281 363 R C 0.432 176.660 176.300 -0.121 0.000 0.988 363 R CA 0.675 56.740 56.100 -0.058 0.000 1.077 363 R CB 0.349 30.630 30.300 -0.031 0.000 0.932 363 R HN 0.863 nan 8.270 nan 0.000 0.409 364 G N 1.703 110.438 108.800 -0.108 0.000 2.683 364 G HA2 0.292 4.247 3.960 -0.008 0.000 0.260 364 G HA3 0.292 4.247 3.960 -0.008 0.000 0.260 364 G C 0.351 175.152 174.900 -0.165 0.000 1.238 364 G CA 0.091 45.091 45.100 -0.166 0.000 0.934 364 G HN 0.772 nan 8.290 nan 0.000 0.534 365 A N -1.400 121.301 122.820 -0.198 0.000 2.055 365 A HA 0.434 4.749 4.320 -0.008 0.000 0.205 365 A C 1.872 179.388 177.584 -0.115 0.000 1.235 365 A CA 1.178 53.115 52.037 -0.167 0.000 0.822 365 A CB 0.255 19.120 19.000 -0.224 0.000 0.903 365 A HN 0.491 nan 8.150 nan 0.000 0.473 366 V N -0.419 119.426 119.914 -0.114 0.000 2.840 366 V HA 0.106 4.221 4.120 -0.008 0.000 0.234 366 V C 0.508 176.561 176.094 -0.068 0.000 1.159 366 V CA 0.462 62.713 62.300 -0.080 0.000 1.194 366 V CB -0.267 31.509 31.823 -0.078 0.000 0.971 366 V HN 0.440 nan 8.190 nan 0.000 0.494 367 E N 1.200 121.352 120.200 -0.079 0.000 2.490 367 E HA 0.210 4.555 4.350 -0.008 0.000 0.232 367 E C -2.115 174.447 176.600 -0.064 0.000 1.091 367 E CA -1.532 54.825 56.400 -0.071 0.000 1.050 367 E CB 1.079 30.731 29.700 -0.080 0.000 1.342 367 E HN 0.417 nan 8.360 nan 0.000 0.454 368 P HA -0.144 nan 4.420 nan 0.000 0.230 368 P C 0.745 178.072 177.300 0.045 0.000 1.158 368 P CA 0.911 64.017 63.100 0.009 0.000 0.769 368 P CB 0.192 31.897 31.700 0.009 0.000 0.807 369 D N -1.904 118.462 120.400 -0.057 0.000 2.340 369 D HA -0.027 4.608 4.640 -0.008 0.000 0.220 369 D C 0.412 176.453 176.300 -0.432 0.000 1.039 369 D CA 0.328 54.220 54.000 -0.180 0.000 0.866 369 D CB -0.003 40.726 40.800 -0.119 0.000 0.913 369 D HN 0.082 nan 8.370 nan 0.000 0.523 370 R N 0.782 121.114 120.500 -0.281 0.000 2.295 370 R HA 0.321 4.657 4.340 -0.008 0.000 0.324 370 R C -0.812 175.424 176.300 -0.107 0.000 0.968 370 R CA -0.548 55.380 56.100 -0.287 0.000 0.837 370 R CB 1.068 31.270 30.300 -0.163 0.000 1.133 370 R HN 0.179 nan 8.270 nan 0.000 0.450 371 Y N 1.311 121.584 120.300 -0.045 0.000 2.330 371 Y HA 0.399 4.944 4.550 -0.008 0.000 0.336 371 Y C 0.426 176.302 175.900 -0.040 0.000 1.036 371 Y CA -1.264 56.812 58.100 -0.039 0.000 1.125 371 Y CB 2.031 40.502 38.460 0.018 0.000 1.194 371 Y HN 0.103 nan 8.280 nan 0.000 0.469 372 V N 5.741 125.708 119.914 0.088 0.000 2.378 372 V HA 0.313 4.428 4.120 -0.008 0.000 0.288 372 V C -0.379 175.680 176.094 -0.057 0.000 1.016 372 V CA -0.698 61.608 62.300 0.011 0.000 0.840 372 V CB 1.139 32.923 31.823 -0.064 0.000 0.994 372 V HN 0.535 nan 8.190 nan 0.000 0.431 373 I N 5.967 126.551 120.570 0.024 0.000 2.377 373 I HA 0.473 4.639 4.170 -0.008 0.000 0.293 373 I C -0.432 175.678 176.117 -0.011 0.000 0.987 373 I CA -0.914 60.398 61.300 0.021 0.000 1.185 373 I CB 1.565 39.699 38.000 0.222 0.000 1.341 373 I HN 0.426 nan 8.210 nan 0.000 0.455 374 L N 5.993 127.170 121.223 -0.077 0.000 2.316 374 L HA 0.886 5.222 4.340 -0.008 0.000 0.280 374 L C -0.226 176.725 176.870 0.135 0.000 1.006 374 L CA 0.248 55.088 54.840 0.000 0.000 0.836 374 L CB 1.259 43.384 42.059 0.110 0.000 1.221 374 L HN 0.725 nan 8.230 nan 0.000 0.418 375 G N 2.257 111.180 108.800 0.206 0.000 2.696 375 G HA2 0.754 4.709 3.960 -0.008 0.000 0.295 375 G HA3 0.754 4.709 3.960 -0.008 0.000 0.295 375 G C -1.231 173.991 174.900 0.536 0.000 1.398 375 G CA -0.280 45.069 45.100 0.414 0.000 0.920 375 G HN 0.932 nan 8.290 nan 0.000 0.492 376 G N -0.504 108.568 108.800 0.453 0.000 2.698 376 G HA2 0.636 4.592 3.960 -0.008 0.000 0.293 376 G HA3 0.636 4.592 3.960 -0.008 0.000 0.293 376 G C -0.833 174.364 174.900 0.496 0.000 1.437 376 G CA -0.691 44.727 45.100 0.529 0.000 0.852 376 G HN 1.225 nan 8.290 nan 0.000 0.499 377 H N -0.753 118.564 119.070 0.411 0.000 2.607 377 H HA 0.649 5.200 4.556 -0.008 0.000 0.367 377 H C 1.112 176.531 175.328 0.153 0.000 1.181 377 H CA -0.528 55.703 56.048 0.305 0.000 1.402 377 H CB 1.611 31.535 29.762 0.271 0.000 1.474 377 H HN 0.506 nan 8.280 nan 0.000 0.596 378 R N 1.689 122.239 120.500 0.083 0.000 2.310 378 R HA -0.029 4.306 4.340 -0.008 0.000 0.199 378 R C -0.548 175.728 176.300 -0.039 0.000 0.891 378 R CA 0.327 56.361 56.100 -0.112 0.000 1.060 378 R CB -0.053 30.128 30.300 -0.198 0.000 1.188 378 R HN 0.969 nan 8.270 nan 0.000 0.607 379 D N 2.752 123.225 120.400 0.122 0.000 2.487 379 D HA -0.020 4.615 4.640 -0.008 0.000 0.243 379 D C -0.394 175.976 176.300 0.118 0.000 1.154 379 D CA 0.269 54.344 54.000 0.125 0.000 0.876 379 D CB 1.105 41.993 40.800 0.147 0.000 1.161 379 D HN 0.275 nan 8.370 nan 0.000 0.478 380 S N 1.848 117.565 115.700 0.027 0.000 2.798 380 S HA 0.409 4.874 4.470 -0.008 0.000 0.312 380 S C 0.401 174.872 174.600 -0.216 0.000 1.122 380 S CA -1.001 57.176 58.200 -0.039 0.000 0.949 380 S CB 0.944 64.176 63.200 0.053 0.000 1.235 380 S HN 0.733 nan 8.310 nan 0.000 0.552 381 W N -0.508 120.699 121.300 -0.155 0.000 2.762 381 W HA 0.245 4.900 4.660 -0.008 0.000 0.265 381 W C 1.613 178.008 176.519 -0.207 0.000 1.263 381 W CA 0.744 57.950 57.345 -0.232 0.000 1.411 381 W CB 0.457 29.654 29.460 -0.439 0.000 1.065 381 W HN 0.665 nan 8.180 nan 0.000 0.609 382 V N -6.100 113.782 119.914 -0.054 0.000 5.003 382 V HA 0.283 4.398 4.120 -0.008 0.000 0.132 382 V C 0.713 176.429 176.094 -0.630 0.000 1.227 382 V CA 0.093 62.159 62.300 -0.390 0.000 1.094 382 V CB -0.173 31.379 31.823 -0.452 0.000 1.358 382 V HN -0.053 nan 8.190 nan 0.000 0.637 383 F N 1.687 121.603 119.950 -0.057 0.000 2.640 383 F HA 0.730 5.253 4.527 -0.008 0.000 0.285 383 F C 1.753 177.575 175.800 0.036 0.000 1.031 383 F CA 0.732 58.697 58.000 -0.058 0.000 1.240 383 F CB 0.838 39.756 39.000 -0.137 0.000 1.011 383 F HN 0.597 nan 8.300 nan 0.000 0.656 384 G N 1.047 109.965 108.800 0.197 0.000 2.303 384 G HA2 -0.174 3.781 3.960 -0.008 0.000 0.260 384 G HA3 -0.174 3.781 3.960 -0.008 0.000 0.260 384 G C 1.101 176.112 174.900 0.184 0.000 1.106 384 G CA 0.092 45.293 45.100 0.168 0.000 0.900 384 G HN 0.684 nan 8.290 nan 0.000 0.495 385 G N -0.269 108.621 108.800 0.151 0.000 2.553 385 G HA2 -0.123 3.832 3.960 -0.008 0.000 0.218 385 G HA3 -0.123 3.832 3.960 -0.008 0.000 0.218 385 G C 1.647 176.598 174.900 0.086 0.000 1.195 385 G CA 1.656 46.825 45.100 0.115 0.000 0.779 385 G HN 0.710 nan 8.290 nan 0.000 0.577 386 I N -0.231 120.347 120.570 0.014 0.000 3.649 386 I HA 0.148 4.313 4.170 -0.008 0.000 0.234 386 I C 0.461 176.648 176.117 0.116 0.000 1.053 386 I CA -0.098 61.187 61.300 -0.025 0.000 1.538 386 I CB -0.275 37.547 38.000 -0.296 0.000 1.445 386 I HN 0.008 nan 8.210 nan 0.000 0.464 387 D N 3.397 123.931 120.400 0.223 0.000 2.346 387 D HA 0.062 4.697 4.640 -0.008 0.000 0.260 387 D C -1.898 174.499 176.300 0.161 0.000 1.252 387 D CA -1.845 52.319 54.000 0.274 0.000 0.895 387 D CB 1.101 42.179 40.800 0.462 0.000 1.097 387 D HN 0.076 nan 8.370 nan 0.000 0.489 388 P HA 0.048 nan 4.420 nan 0.000 0.295 388 P C 1.021 178.316 177.300 -0.008 0.000 1.274 388 P CA -0.005 63.011 63.100 -0.140 0.000 0.943 388 P CB 0.791 31.947 31.700 -0.906 0.000 1.462 389 Q N 0.877 120.722 119.800 0.075 0.000 2.217 389 Q HA -0.155 4.180 4.340 -0.008 0.000 0.209 389 Q C 2.339 178.517 176.000 0.296 0.000 0.988 389 Q CA 2.098 58.028 55.803 0.213 0.000 0.878 389 Q CB -1.508 27.411 28.738 0.302 0.000 0.909 389 Q HN 0.198 nan 8.270 nan 0.000 0.424 390 S N -1.361 114.487 115.700 0.247 0.000 2.469 390 S HA -0.088 4.377 4.470 -0.008 0.000 0.238 390 S C 1.616 176.345 174.600 0.216 0.000 0.998 390 S CA 1.280 59.655 58.200 0.291 0.000 0.957 390 S CB -0.215 63.088 63.200 0.172 0.000 0.764 390 S HN 0.549 nan 8.310 nan 0.000 0.514 391 G N -0.138 108.769 108.800 0.178 0.000 2.641 391 G HA2 0.354 4.310 3.960 -0.008 0.000 0.207 391 G HA3 0.354 4.310 3.960 -0.008 0.000 0.207 391 G C 1.596 176.629 174.900 0.221 0.000 1.137 391 G CA 0.475 45.674 45.100 0.165 0.000 0.824 391 G HN 0.563 nan 8.290 nan 0.000 0.547 392 A N 1.364 124.311 122.820 0.212 0.000 1.986 392 A HA 0.198 4.513 4.320 -0.008 0.000 0.220 392 A C 2.694 180.529 177.584 0.418 0.000 1.171 392 A CA 2.351 54.528 52.037 0.234 0.000 0.640 392 A CB -0.611 18.416 19.000 0.045 0.000 0.811 392 A HN 0.741 nan 8.150 nan 0.000 0.451 393 A N -0.586 122.528 122.820 0.490 0.000 1.897 393 A HA 0.076 4.391 4.320 -0.008 0.000 0.215 393 A C 2.209 180.062 177.584 0.448 0.000 1.181 393 A CA 1.589 53.931 52.037 0.508 0.000 0.620 393 A CB -0.848 18.432 19.000 0.467 0.000 0.821 393 A HN 0.402 nan 8.150 nan 0.000 0.443 394 V N -0.289 119.841 119.914 0.361 0.000 2.255 394 V HA -0.256 3.859 4.120 -0.008 0.000 0.247 394 V C 2.532 178.777 176.094 0.253 0.000 1.051 394 V CA 2.035 64.501 62.300 0.277 0.000 1.018 394 V CB -1.172 30.773 31.823 0.203 0.000 0.641 394 V HN 0.340 nan 8.190 nan 0.000 0.445 395 V N -0.246 119.830 119.914 0.269 0.000 2.231 395 V HA -0.372 3.744 4.120 -0.008 0.000 0.248 395 V C 2.459 178.682 176.094 0.215 0.000 1.054 395 V CA 2.622 65.073 62.300 0.252 0.000 1.015 395 V CB -0.973 31.029 31.823 0.299 0.000 0.638 395 V HN 0.655 nan 8.190 nan 0.000 0.444 396 H N -0.448 118.748 119.070 0.210 0.000 2.321 396 H HA -0.264 4.287 4.556 -0.008 0.000 0.295 396 H C 2.479 177.798 175.328 -0.014 0.000 1.102 396 H CA 2.446 58.582 56.048 0.148 0.000 1.266 396 H CB 0.187 29.937 29.762 -0.019 0.000 1.363 396 H HN 0.545 nan 8.280 nan 0.000 0.492 397 E N 0.817 121.144 120.200 0.211 0.000 2.072 397 E HA -0.101 4.244 4.350 -0.008 0.000 0.191 397 E C 2.480 179.036 176.600 -0.073 0.000 0.985 397 E CA 1.077 57.584 56.400 0.178 0.000 0.801 397 E CB -0.482 29.366 29.700 0.246 0.000 0.750 397 E HN 0.520 nan 8.360 nan 0.000 0.452 398 I N -0.080 120.477 120.570 -0.023 0.000 2.194 398 I HA -0.292 3.873 4.170 -0.008 0.000 0.246 398 I C 2.126 178.204 176.117 -0.066 0.000 1.093 398 I CA 1.013 62.304 61.300 -0.015 0.000 1.355 398 I CB -0.204 37.900 38.000 0.174 0.000 1.046 398 I HN 0.088 nan 8.210 nan 0.000 0.413 399 V N 0.371 120.114 119.914 -0.285 0.000 2.270 399 V HA -0.244 3.872 4.120 -0.008 0.000 0.245 399 V C 2.610 178.527 176.094 -0.295 0.000 1.043 399 V CA 1.590 63.542 62.300 -0.580 0.000 1.014 399 V CB -0.854 30.314 31.823 -1.092 0.000 0.645 399 V HN 0.399 nan 8.190 nan 0.000 0.447 400 R N 0.215 120.426 120.500 -0.481 0.000 2.119 400 R HA -0.226 4.110 4.340 -0.008 0.000 0.246 400 R C 2.649 178.743 176.300 -0.343 0.000 1.146 400 R CA 2.260 57.852 56.100 -0.845 0.000 0.962 400 R CB -0.777 28.754 30.300 -1.281 0.000 0.863 400 R HN 0.536 nan 8.270 nan 0.000 0.442 401 S N -0.451 115.102 115.700 -0.246 0.000 2.338 401 S HA -0.097 4.368 4.470 -0.008 0.000 0.218 401 S C 2.013 176.666 174.600 0.089 0.000 1.032 401 S CA 1.210 59.306 58.200 -0.173 0.000 0.999 401 S CB -0.407 62.535 63.200 -0.429 0.000 0.905 401 S HN 0.422 nan 8.310 nan 0.000 0.439 402 F N 1.610 121.738 119.950 0.297 0.000 2.120 402 F HA -0.081 4.442 4.527 -0.007 0.000 0.300 402 F C 2.634 178.579 175.800 0.242 0.000 1.095 402 F CA 0.786 58.981 58.000 0.325 0.000 1.249 402 F CB -0.768 38.452 39.000 0.366 0.000 0.995 402 F HN 0.421 nan 8.300 nan 0.000 0.480 403 G N -0.740 108.246 108.800 0.311 0.000 2.459 403 G HA2 -0.271 3.684 3.960 -0.008 0.000 0.217 403 G HA3 -0.271 3.684 3.960 -0.008 0.000 0.217 403 G C 1.613 176.636 174.900 0.205 0.000 1.183 403 G CA 1.487 46.730 45.100 0.237 0.000 0.776 403 G HN 0.250 nan 8.290 nan 0.000 0.552 404 T N 0.974 115.597 114.554 0.115 0.000 2.685 404 T HA -0.115 4.230 4.350 -0.008 0.000 0.268 404 T C 2.319 177.094 174.700 0.125 0.000 1.034 404 T CA 1.119 63.264 62.100 0.075 0.000 1.149 404 T CB -0.203 68.656 68.868 -0.015 0.000 0.860 404 T HN 0.133 nan 8.240 nan 0.000 0.449 405 L N 0.164 121.495 121.223 0.180 0.000 2.156 405 L HA 0.006 4.341 4.340 -0.008 0.000 0.208 405 L C 2.731 179.850 176.870 0.414 0.000 1.095 405 L CA 1.114 56.080 54.840 0.210 0.000 0.770 405 L CB -0.268 41.837 42.059 0.076 0.000 0.914 405 L HN 0.170 nan 8.230 nan 0.000 0.439 406 K N 0.396 121.073 120.400 0.461 0.000 2.097 406 K HA -0.182 4.133 4.320 -0.008 0.000 0.205 406 K C 1.988 178.751 176.600 0.272 0.000 1.050 406 K CA 1.173 57.711 56.287 0.419 0.000 0.938 406 K CB 0.143 32.830 32.500 0.313 0.000 0.718 406 K HN 0.232 nan 8.250 nan 0.000 0.442 407 K N 0.572 121.103 120.400 0.218 0.000 2.209 407 K HA -0.124 4.192 4.320 -0.008 0.000 0.204 407 K C 1.499 178.189 176.600 0.150 0.000 1.048 407 K CA 1.194 57.577 56.287 0.159 0.000 0.940 407 K CB 0.063 32.644 32.500 0.134 0.000 0.729 407 K HN 0.263 nan 8.250 nan 0.000 0.451 408 E N -0.219 120.087 120.200 0.176 0.000 2.511 408 E HA -0.007 4.339 4.350 -0.008 0.000 0.196 408 E C 0.329 177.042 176.600 0.188 0.000 1.066 408 E CA 0.232 56.730 56.400 0.164 0.000 0.871 408 E CB 0.301 30.098 29.700 0.163 0.000 0.863 408 E HN 0.446 nan 8.360 nan 0.000 0.520 409 G N 1.690 110.616 108.800 0.210 0.000 2.270 409 G HA2 -0.225 3.731 3.960 -0.008 0.000 0.224 409 G HA3 -0.225 3.731 3.960 -0.008 0.000 0.224 409 G C -0.876 174.181 174.900 0.261 0.000 1.079 409 G CA 0.043 45.256 45.100 0.189 0.000 0.807 409 G HN 0.281 nan 8.290 nan 0.000 0.492 410 W N 0.695 122.049 121.300 0.091 0.000 2.950 410 W HA 0.828 5.484 4.660 -0.007 0.000 0.340 410 W C -0.381 176.182 176.519 0.074 0.000 1.139 410 W CA -1.266 56.134 57.345 0.092 0.000 1.188 410 W CB 1.278 30.826 29.460 0.147 0.000 1.426 410 W HN 0.260 nan 8.180 nan 0.000 0.531 411 R N 3.500 123.354 120.500 -1.077 0.000 2.740 411 R HA 0.447 4.782 4.340 -0.008 0.000 0.273 411 R C -2.710 172.535 176.300 -1.757 0.000 0.998 411 R CA -1.962 53.410 56.100 -1.213 0.000 0.900 411 R CB 1.838 31.820 30.300 -0.530 0.000 1.223 411 R HN 0.183 nan 8.270 nan 0.000 0.466 412 P HA 0.172 nan 4.420 nan 0.000 0.274 412 P C 0.006 177.007 177.300 -0.497 0.000 1.231 412 P CA -0.501 62.092 63.100 -0.845 0.000 0.790 412 P CB 0.927 32.267 31.700 -0.600 0.000 0.951 413 R N 1.665 121.962 120.500 -0.337 0.000 2.082 413 R HA -0.085 4.250 4.340 -0.008 0.000 0.234 413 R C 0.683 176.862 176.300 -0.201 0.000 1.136 413 R CA 1.491 57.456 56.100 -0.225 0.000 0.935 413 R CB -0.020 30.184 30.300 -0.160 0.000 0.842 413 R HN 0.402 nan 8.270 nan 0.000 0.430 414 R N -0.293 120.089 120.500 -0.197 0.000 2.553 414 R HA 0.206 4.542 4.340 -0.008 0.000 0.263 414 R C -0.536 175.666 176.300 -0.163 0.000 1.066 414 R CA -0.382 55.628 56.100 -0.150 0.000 1.135 414 R CB 1.431 31.654 30.300 -0.129 0.000 1.148 414 R HN 0.089 nan 8.270 nan 0.000 0.558 415 T N 1.986 116.498 114.554 -0.069 0.000 2.897 415 T HA 0.317 4.663 4.350 -0.008 0.000 0.294 415 T C 0.230 174.851 174.700 -0.133 0.000 1.004 415 T CA -0.066 61.995 62.100 -0.065 0.000 1.106 415 T CB 0.378 69.303 68.868 0.096 0.000 0.949 415 T HN 0.251 nan 8.240 nan 0.000 0.520 416 I N 3.549 123.958 120.570 -0.268 0.000 2.404 416 I HA 0.410 4.575 4.170 -0.008 0.000 0.293 416 I C -0.495 175.294 176.117 -0.546 0.000 0.992 416 I CA -0.758 60.264 61.300 -0.463 0.000 1.149 416 I CB 1.420 39.001 38.000 -0.699 0.000 1.315 416 I HN 0.307 nan 8.210 nan 0.000 0.446 417 L N 6.356 127.245 121.223 -0.558 0.000 2.341 417 L HA 0.533 4.868 4.340 -0.008 0.000 0.278 417 L C -1.144 175.392 176.870 -0.557 0.000 1.005 417 L CA -0.545 54.034 54.840 -0.435 0.000 0.818 417 L CB 1.590 43.509 42.059 -0.232 0.000 1.259 417 L HN 0.396 nan 8.230 nan 0.000 0.418 418 F N 1.893 121.721 119.950 -0.202 0.000 2.458 418 F HA 0.729 5.251 4.527 -0.007 0.000 0.336 418 F C 0.411 176.093 175.800 -0.197 0.000 1.114 418 F CA -0.593 57.244 58.000 -0.272 0.000 0.987 418 F CB 1.885 40.501 39.000 -0.640 0.000 1.130 418 F HN 0.431 nan 8.300 nan 0.000 0.458 419 A N 1.492 124.268 122.820 -0.074 0.000 2.401 419 A HA 0.691 5.006 4.320 -0.008 0.000 0.310 419 A C -0.751 176.615 177.584 -0.362 0.000 1.075 419 A CA -0.711 51.043 52.037 -0.471 0.000 0.746 419 A CB 1.692 19.782 19.000 -1.516 0.000 1.277 419 A HN 0.570 nan 8.150 nan 0.000 0.425 420 S N 1.814 117.302 115.700 -0.353 0.000 2.406 420 S HA 0.436 4.902 4.470 -0.008 0.000 0.224 420 S C -0.808 173.672 174.600 -0.200 0.000 1.426 420 S CA -0.495 57.584 58.200 -0.202 0.000 1.179 420 S CB -0.438 62.628 63.200 -0.223 0.000 1.042 420 S HN 0.510 nan 8.310 nan 0.000 0.479 421 W N 2.413 123.802 121.300 0.149 0.000 2.148 421 W HA 0.315 4.970 4.660 -0.008 0.000 0.347 421 W C 0.848 177.453 176.519 0.143 0.000 1.288 421 W CA -0.217 57.215 57.345 0.145 0.000 1.252 421 W CB 0.321 29.896 29.460 0.191 0.000 1.156 421 W HN 0.456 nan 8.180 nan 0.000 0.580 422 D N -0.495 120.146 120.400 0.401 0.000 2.467 422 D HA 0.454 5.089 4.640 -0.008 0.000 0.245 422 D C 0.439 176.877 176.300 0.230 0.000 1.038 422 D CA -0.001 54.158 54.000 0.266 0.000 1.038 422 D CB 1.551 42.487 40.800 0.226 0.000 1.278 422 D HN 0.501 nan 8.370 nan 0.000 0.564 423 A N 0.840 123.767 122.820 0.178 0.000 2.822 423 A HA -0.281 4.034 4.320 -0.008 0.000 0.279 423 A C 1.605 179.286 177.584 0.162 0.000 1.356 423 A CA 1.763 53.909 52.037 0.181 0.000 0.961 423 A CB -1.793 17.276 19.000 0.115 0.000 0.977 423 A HN 0.629 nan 8.150 nan 0.000 0.650 424 E N 0.284 120.531 120.200 0.079 0.000 2.160 424 E HA -0.218 4.128 4.350 -0.008 0.000 0.195 424 E C 1.524 178.042 176.600 -0.136 0.000 0.991 424 E CA 1.629 57.982 56.400 -0.078 0.000 0.810 424 E CB -0.166 29.379 29.700 -0.259 0.000 0.742 424 E HN 0.808 nan 8.360 nan 0.000 0.466 425 E N -0.725 119.359 120.200 -0.193 0.000 2.418 425 E HA -0.108 4.237 4.350 -0.008 0.000 0.197 425 E C 1.063 177.522 176.600 -0.235 0.000 1.026 425 E CA 0.345 56.577 56.400 -0.280 0.000 0.862 425 E CB -0.174 29.014 29.700 -0.853 0.000 0.799 425 E HN 0.317 nan 8.360 nan 0.000 0.518 426 F N 0.190 120.125 119.950 -0.026 0.000 2.660 426 F HA 0.288 4.810 4.527 -0.008 0.000 0.302 426 F C 1.167 177.050 175.800 0.137 0.000 1.103 426 F CA 0.254 58.362 58.000 0.179 0.000 1.340 426 F CB 1.030 40.130 39.000 0.168 0.000 1.048 426 F HN -0.011 nan 8.300 nan 0.000 0.551 427 G N -0.021 108.855 108.800 0.127 0.000 2.245 427 G HA2 -0.124 3.832 3.960 -0.008 0.000 0.116 427 G HA3 -0.124 3.832 3.960 -0.008 0.000 0.116 427 G C 0.485 175.351 174.900 -0.057 0.000 1.054 427 G CA -0.402 44.698 45.100 0.001 0.000 0.728 427 G HN 0.264 nan 8.290 nan 0.000 0.483 428 L N -1.647 119.540 121.223 -0.059 0.000 4.436 428 L HA -0.374 3.962 4.340 -0.008 0.000 0.436 428 L C 2.517 179.308 176.870 -0.132 0.000 1.128 428 L CA 1.682 56.447 54.840 -0.124 0.000 0.973 428 L CB -1.749 40.192 42.059 -0.198 0.000 1.899 428 L HN 0.506 nan 8.230 nan 0.000 1.002 429 L N -0.901 120.284 121.223 -0.063 0.000 2.058 429 L HA -0.324 4.011 4.340 -0.008 0.000 0.226 429 L C 2.622 179.457 176.870 -0.058 0.000 1.089 429 L CA 2.110 56.910 54.840 -0.065 0.000 0.799 429 L CB -1.349 40.722 42.059 0.020 0.000 0.900 429 L HN 0.623 nan 8.230 nan 0.000 0.442 430 G N 0.202 109.034 108.800 0.053 0.000 2.679 430 G HA2 -0.366 3.589 3.960 -0.008 0.000 0.217 430 G HA3 -0.366 3.589 3.960 -0.008 0.000 0.217 430 G C 1.735 176.703 174.900 0.113 0.000 1.267 430 G CA 1.918 47.132 45.100 0.190 0.000 0.799 430 G HN 0.543 nan 8.290 nan 0.000 0.606 431 S N 0.006 115.605 115.700 -0.168 0.000 2.368 431 S HA -0.219 4.246 4.470 -0.008 0.000 0.226 431 S C 2.236 176.446 174.600 -0.650 0.000 1.044 431 S CA 2.602 60.180 58.200 -1.036 0.000 1.062 431 S CB -1.324 60.959 63.200 -1.529 0.000 0.931 431 S HN 0.386 nan 8.310 nan 0.000 0.440 432 T N 2.634 116.879 114.554 -0.516 0.000 2.555 432 T HA -0.135 4.210 4.350 -0.008 0.000 0.264 432 T C 1.834 176.292 174.700 -0.404 0.000 1.083 432 T CA 1.678 63.492 62.100 -0.477 0.000 1.179 432 T CB -0.698 67.921 68.868 -0.414 0.000 0.863 432 T HN 0.427 nan 8.240 nan 0.000 0.412 433 E N -0.029 119.929 120.200 -0.403 0.000 2.171 433 E HA -0.172 4.174 4.350 -0.008 0.000 0.197 433 E C 1.776 178.004 176.600 -0.620 0.000 0.997 433 E CA 1.012 57.069 56.400 -0.571 0.000 0.810 433 E CB -0.369 28.897 29.700 -0.723 0.000 0.738 433 E HN 0.736 nan 8.360 nan 0.000 0.467 434 W N 1.152 122.154 121.300 -0.497 0.000 2.436 434 W HA -0.031 4.627 4.660 -0.003 0.000 0.284 434 W C 2.235 178.729 176.519 -0.043 0.000 1.225 434 W CA 1.850 59.147 57.345 -0.080 0.000 1.271 434 W CB -0.093 29.598 29.460 0.384 0.000 1.114 434 W HN 0.022 nan 8.180 nan 0.000 0.559 435 A N 0.088 122.853 122.820 -0.092 0.000 1.935 435 A HA -0.089 4.226 4.320 -0.008 0.000 0.214 435 A C 1.828 179.221 177.584 -0.318 0.000 1.178 435 A CA 1.380 53.255 52.037 -0.270 0.000 0.640 435 A CB -0.665 18.103 19.000 -0.386 0.000 0.825 435 A HN 0.386 nan 8.150 nan 0.000 0.447 436 E N -0.266 119.734 120.200 -0.332 0.000 2.097 436 E HA -0.269 4.076 4.350 -0.008 0.000 0.196 436 E C 1.998 178.453 176.600 -0.242 0.000 1.000 436 E CA 1.523 57.740 56.400 -0.306 0.000 0.804 436 E CB -0.134 29.361 29.700 -0.342 0.000 0.740 436 E HN 0.827 nan 8.360 nan 0.000 0.454 437 E N 0.940 120.982 120.200 -0.264 0.000 2.031 437 E HA -0.148 4.197 4.350 -0.008 0.000 0.193 437 E C 0.973 177.434 176.600 -0.232 0.000 0.994 437 E CA 1.141 57.422 56.400 -0.198 0.000 0.800 437 E CB 0.027 29.639 29.700 -0.146 0.000 0.752 437 E HN 0.224 nan 8.360 nan 0.000 0.447 438 N N 0.172 118.626 118.700 -0.409 0.000 2.276 438 N HA 0.004 4.740 4.740 -0.008 0.000 0.212 438 N C 1.227 176.608 175.510 -0.214 0.000 1.127 438 N CA 0.257 53.087 53.050 -0.367 0.000 0.834 438 N CB 0.509 38.585 38.487 -0.686 0.000 1.014 438 N HN 0.143 nan 8.380 nan 0.000 0.491 439 S N 1.893 117.493 115.700 -0.166 0.000 2.377 439 S HA -0.291 4.174 4.470 -0.008 0.000 0.224 439 S C 1.806 176.388 174.600 -0.030 0.000 1.042 439 S CA 0.938 59.087 58.200 -0.084 0.000 1.086 439 S CB -0.465 62.686 63.200 -0.083 0.000 0.995 439 S HN 0.284 nan 8.310 nan 0.000 0.428 440 R N 1.318 121.803 120.500 -0.025 0.000 2.267 440 R HA -0.074 4.261 4.340 -0.008 0.000 0.259 440 R C 2.129 178.444 176.300 0.025 0.000 1.192 440 R CA 1.851 57.954 56.100 0.005 0.000 1.013 440 R CB -0.719 29.585 30.300 0.006 0.000 0.877 440 R HN 0.569 nan 8.270 nan 0.000 0.474 441 L N -1.315 119.925 121.223 0.028 0.000 2.349 441 L HA 0.061 4.397 4.340 -0.008 0.000 0.200 441 L C 2.003 178.927 176.870 0.090 0.000 1.064 441 L CA 0.271 55.157 54.840 0.077 0.000 0.821 441 L CB -0.439 41.717 42.059 0.162 0.000 1.027 441 L HN 0.060 nan 8.230 nan 0.000 0.476 442 L N 0.207 121.497 121.223 0.111 0.000 2.042 442 L HA -0.234 4.101 4.340 -0.008 0.000 0.210 442 L C 2.708 179.628 176.870 0.083 0.000 1.076 442 L CA 1.272 56.205 54.840 0.154 0.000 0.749 442 L CB -0.634 41.541 42.059 0.194 0.000 0.893 442 L HN 0.308 nan 8.230 nan 0.000 0.432 443 Q N 0.477 120.319 119.800 0.071 0.000 2.152 443 Q HA -0.227 4.109 4.340 -0.008 0.000 0.206 443 Q C 1.727 177.800 176.000 0.121 0.000 0.985 443 Q CA 1.772 57.624 55.803 0.083 0.000 0.863 443 Q CB 0.077 28.856 28.738 0.069 0.000 0.904 443 Q HN 0.430 nan 8.270 nan 0.000 0.422 444 E N -1.380 118.875 120.200 0.091 0.000 2.511 444 E HA 0.173 4.518 4.350 -0.008 0.000 0.209 444 E C 0.979 177.566 176.600 -0.021 0.000 0.986 444 E CA 0.142 56.634 56.400 0.153 0.000 0.974 444 E CB 0.641 30.420 29.700 0.132 0.000 1.030 444 E HN 0.375 nan 8.360 nan 0.000 0.490 445 R N -0.084 120.332 120.500 -0.141 0.000 2.568 445 R HA 0.188 4.523 4.340 -0.008 0.000 0.254 445 R C 1.004 177.145 176.300 -0.264 0.000 0.925 445 R CA 0.309 56.210 56.100 -0.331 0.000 1.025 445 R CB 0.865 30.749 30.300 -0.693 0.000 1.428 445 R HN -0.070 nan 8.270 nan 0.000 0.573 446 G N 0.907 109.657 108.800 -0.083 0.000 2.254 446 G HA2 0.170 4.125 3.960 -0.008 0.000 0.253 446 G HA3 0.170 4.125 3.960 -0.008 0.000 0.253 446 G C 0.722 175.608 174.900 -0.023 0.000 1.246 446 G CA -0.213 44.914 45.100 0.044 0.000 0.946 446 G HN -0.051 nan 8.290 nan 0.000 0.474 447 V N 2.789 122.729 119.914 0.043 0.000 2.490 447 V HA 0.543 4.659 4.120 -0.008 0.000 0.238 447 V C 1.411 177.642 176.094 0.229 0.000 1.056 447 V CA 1.830 64.162 62.300 0.053 0.000 1.075 447 V CB -0.324 31.494 31.823 -0.007 0.000 0.746 447 V HN 1.057 nan 8.190 nan 0.000 0.479 448 A N -1.216 121.738 122.820 0.225 0.000 2.604 448 A HA 0.700 5.015 4.320 -0.008 0.000 0.295 448 A C -2.170 175.559 177.584 0.242 0.000 1.067 448 A CA -0.331 51.880 52.037 0.289 0.000 0.683 448 A CB 1.397 20.606 19.000 0.349 0.000 1.281 448 A HN 0.262 nan 8.150 nan 0.000 0.407 449 Y N 1.630 121.993 120.300 0.104 0.000 2.326 449 Y HA 0.699 5.245 4.550 -0.007 0.000 0.329 449 Y C -1.591 174.361 175.900 0.088 0.000 0.973 449 Y CA -1.266 56.851 58.100 0.028 0.000 1.162 449 Y CB 1.137 39.553 38.460 -0.074 0.000 1.147 449 Y HN 0.500 nan 8.280 nan 0.000 0.456 450 I N 6.093 126.334 120.570 -0.548 0.000 2.330 450 I HA 0.263 4.428 4.170 -0.008 0.000 0.289 450 I C -0.213 175.506 176.117 -0.663 0.000 1.001 450 I CA -0.498 60.528 61.300 -0.457 0.000 1.193 450 I CB 1.117 39.032 38.000 -0.142 0.000 1.345 450 I HN 0.674 nan 8.210 nan 0.000 0.461 451 N N 4.461 122.868 118.700 -0.488 0.000 2.513 451 N HA 0.716 5.451 4.740 -0.008 0.000 0.274 451 N C -0.647 174.910 175.510 0.079 0.000 1.189 451 N CA -0.246 52.752 53.050 -0.086 0.000 0.975 451 N CB 1.081 39.736 38.487 0.279 0.000 1.157 451 N HN 0.639 nan 8.380 nan 0.000 0.465 452 A N 1.932 124.882 122.820 0.217 0.000 3.300 452 A HA 0.224 4.539 4.320 -0.008 0.000 0.300 452 A C -0.641 177.086 177.584 0.238 0.000 1.099 452 A CA -0.686 51.469 52.037 0.196 0.000 0.846 452 A CB -0.165 18.942 19.000 0.180 0.000 1.255 452 A HN 0.780 nan 8.150 nan 0.000 0.519 453 D N 0.631 121.189 120.400 0.262 0.000 2.358 453 D HA 0.409 5.044 4.640 -0.008 0.000 0.287 453 D C 0.865 177.277 176.300 0.188 0.000 1.181 453 D CA 0.147 54.310 54.000 0.272 0.000 1.103 453 D CB 0.507 41.547 40.800 0.401 0.000 1.168 453 D HN 0.299 nan 8.370 nan 0.000 0.552 454 S N -1.139 114.685 115.700 0.205 0.000 2.558 454 S HA 0.011 4.476 4.470 -0.008 0.000 0.297 454 S C 0.788 175.433 174.600 0.074 0.000 1.283 454 S CA 0.160 58.448 58.200 0.146 0.000 1.044 454 S CB 0.530 63.856 63.200 0.211 0.000 0.789 454 S HN 0.396 nan 8.310 nan 0.000 0.500 455 S N 0.588 116.271 115.700 -0.028 0.000 2.512 455 S HA 0.290 4.755 4.470 -0.008 0.000 0.216 455 S C 0.566 175.099 174.600 -0.111 0.000 1.006 455 S CA -0.281 57.852 58.200 -0.111 0.000 0.915 455 S CB -0.206 62.814 63.200 -0.301 0.000 0.824 455 S HN 0.712 nan 8.310 nan 0.000 0.497 456 I N -1.391 119.125 120.570 -0.090 0.000 3.145 456 I HA 0.647 4.812 4.170 -0.008 0.000 0.313 456 I C -0.133 175.982 176.117 -0.003 0.000 1.122 456 I CA -0.920 60.374 61.300 -0.011 0.000 0.987 456 I CB 2.072 40.081 38.000 0.015 0.000 1.236 456 I HN -0.197 nan 8.210 nan 0.000 0.453 457 E N 0.772 121.047 120.200 0.125 0.000 2.267 457 E HA 0.284 4.630 4.350 -0.008 0.000 0.186 457 E C 0.186 177.008 176.600 0.370 0.000 0.954 457 E CA 0.010 56.547 56.400 0.229 0.000 1.414 457 E CB 1.570 31.425 29.700 0.258 0.000 2.698 457 E HN 0.969 nan 8.360 nan 0.000 0.927 458 G N -0.161 108.829 108.800 0.317 0.000 2.650 458 G HA2 0.238 4.193 3.960 -0.008 0.000 0.310 458 G HA3 0.238 4.193 3.960 -0.008 0.000 0.310 458 G C -0.724 174.292 174.900 0.194 0.000 1.270 458 G CA -0.362 44.911 45.100 0.289 0.000 0.810 458 G HN -0.049 nan 8.290 nan 0.000 0.493 459 N N -1.308 117.473 118.700 0.136 0.000 2.168 459 N HA 0.048 4.783 4.740 -0.008 0.000 0.216 459 N C -0.453 175.072 175.510 0.026 0.000 1.259 459 N CA -0.073 52.929 53.050 -0.081 0.000 0.902 459 N CB 1.337 39.929 38.487 0.175 0.000 1.079 459 N HN 0.340 nan 8.380 nan 0.000 0.507 460 Y N 3.090 123.380 120.300 -0.016 0.000 2.623 460 Y HA 0.167 4.713 4.550 -0.008 0.000 0.341 460 Y C 0.425 176.212 175.900 -0.188 0.000 1.292 460 Y CA 0.526 58.594 58.100 -0.054 0.000 1.840 460 Y CB -0.718 37.711 38.460 -0.051 0.000 1.865 460 Y HN -0.025 nan 8.280 nan 0.000 0.440 461 T N 1.560 115.886 114.554 -0.380 0.000 0.541 461 T HA -0.246 4.100 4.350 -0.008 0.000 0.774 461 T C -0.937 172.923 174.700 -1.401 0.000 0.992 461 T CA -0.047 61.603 62.100 -0.750 0.000 4.077 461 T CB -0.459 68.051 68.868 -0.598 0.000 2.303 461 T HN 0.547 nan 8.240 nan 0.000 0.398 462 L N 2.205 122.660 121.223 -1.279 0.000 2.371 462 L HA 0.736 5.072 4.340 -0.008 0.000 0.272 462 L C 0.545 176.851 176.870 -0.939 0.000 1.124 462 L CA 0.119 54.172 54.840 -1.310 0.000 0.816 462 L CB 0.875 42.120 42.059 -1.357 0.000 1.129 462 L HN 0.643 nan 8.230 nan 0.000 0.448 463 R N 3.670 123.742 120.500 -0.714 0.000 2.561 463 R HA 0.771 5.106 4.340 -0.008 0.000 0.297 463 R C -2.041 174.052 176.300 -0.346 0.000 0.969 463 R CA -0.631 55.227 56.100 -0.404 0.000 0.879 463 R CB 1.644 31.772 30.300 -0.288 0.000 1.178 463 R HN 0.557 nan 8.270 nan 0.000 0.445 464 V N 3.552 123.350 119.914 -0.193 0.000 2.841 464 V HA 0.458 4.573 4.120 -0.008 0.000 0.310 464 V C -1.115 174.920 176.094 -0.098 0.000 1.090 464 V CA -0.842 61.362 62.300 -0.160 0.000 0.930 464 V CB 2.377 34.121 31.823 -0.130 0.000 1.014 464 V HN 0.819 nan 8.190 nan 0.000 0.425 465 D N 2.730 123.034 120.400 -0.160 0.000 2.896 465 D HA 0.743 5.378 4.640 -0.008 0.000 0.241 465 D C -0.905 175.222 176.300 -0.288 0.000 1.188 465 D CA 0.046 53.916 54.000 -0.217 0.000 0.879 465 D CB 2.305 42.956 40.800 -0.247 0.000 1.553 465 D HN 0.953 nan 8.370 nan 0.000 0.515 466 C N -0.644 118.482 119.300 -0.291 0.000 3.224 466 C HA 0.453 4.908 4.460 -0.008 0.000 0.348 466 C C 0.087 174.957 174.990 -0.200 0.000 1.242 466 C CA -1.037 57.806 59.018 -0.292 0.000 1.180 466 C CB 0.783 28.440 27.740 -0.138 0.000 1.458 466 C HN 0.593 nan 8.230 nan 0.000 0.485 467 T N 2.111 116.494 114.554 -0.284 0.000 2.866 467 T HA 0.259 4.604 4.350 -0.008 0.000 0.293 467 T C -1.000 173.586 174.700 -0.190 0.000 1.005 467 T CA 0.422 62.416 62.100 -0.177 0.000 1.162 467 T CB 0.212 69.131 68.868 0.085 0.000 0.968 467 T HN 0.680 nan 8.240 nan 0.000 0.530 468 P HA -0.132 nan 4.420 nan 0.000 0.219 468 P C 1.443 178.346 177.300 -0.662 0.000 1.147 468 P CA 1.088 63.472 63.100 -1.193 0.000 0.821 468 P CB -0.029 30.947 31.700 -1.207 0.000 0.771 469 L N -2.319 118.732 121.223 -0.286 0.000 2.083 469 L HA -0.132 4.204 4.340 -0.008 0.000 0.209 469 L C 2.126 178.957 176.870 -0.065 0.000 1.083 469 L CA 1.463 56.207 54.840 -0.160 0.000 0.752 469 L CB -0.696 41.117 42.059 -0.411 0.000 0.899 469 L HN 0.049 nan 8.230 nan 0.000 0.433 470 M N -2.093 117.495 119.600 -0.021 0.000 2.563 470 M HA -0.016 4.460 4.480 -0.008 0.000 0.231 470 M C 1.402 177.845 176.300 0.239 0.000 1.136 470 M CA 0.124 55.509 55.300 0.141 0.000 1.026 470 M CB 0.036 32.700 32.600 0.107 0.000 1.597 470 M HN 0.086 nan 8.290 nan 0.000 0.495 471 Y N 0.471 120.738 120.300 -0.054 0.000 2.070 471 Y HA -0.209 4.337 4.550 -0.008 0.000 0.279 471 Y C 2.914 178.710 175.900 -0.173 0.000 1.134 471 Y CA 1.454 59.464 58.100 -0.149 0.000 1.113 471 Y CB -1.263 37.047 38.460 -0.251 0.000 0.981 471 Y HN 0.236 nan 8.280 nan 0.000 0.487 472 S N -0.027 115.717 115.700 0.072 0.000 2.380 472 S HA -0.226 4.239 4.470 -0.008 0.000 0.229 472 S C 2.175 176.882 174.600 0.178 0.000 1.043 472 S CA 1.527 59.782 58.200 0.092 0.000 1.038 472 S CB -0.756 62.515 63.200 0.119 0.000 0.872 472 S HN 0.355 nan 8.310 nan 0.000 0.456 473 L N 1.491 122.832 121.223 0.197 0.000 1.989 473 L HA -0.044 4.292 4.340 -0.008 0.000 0.211 473 L C 2.296 179.301 176.870 0.225 0.000 1.071 473 L CA 1.868 56.835 54.840 0.211 0.000 0.749 473 L CB -0.952 41.246 42.059 0.232 0.000 0.890 473 L HN 0.223 nan 8.230 nan 0.000 0.431 474 V N -0.375 119.685 119.914 0.242 0.000 2.255 474 V HA -0.343 3.772 4.120 -0.008 0.000 0.247 474 V C 2.507 178.861 176.094 0.434 0.000 1.051 474 V CA 2.010 64.485 62.300 0.290 0.000 1.018 474 V CB -0.971 31.031 31.823 0.298 0.000 0.641 474 V HN 0.553 nan 8.190 nan 0.000 0.445 475 H N 0.817 120.060 119.070 0.288 0.000 2.287 475 H HA -0.160 4.391 4.556 -0.008 0.000 0.292 475 H C 2.340 177.739 175.328 0.117 0.000 1.068 475 H CA 2.168 58.368 56.048 0.253 0.000 1.192 475 H CB -0.840 29.020 29.762 0.163 0.000 1.360 475 H HN 0.338 nan 8.280 nan 0.000 0.516 476 N N 0.190 119.030 118.700 0.233 0.000 2.060 476 N HA -0.152 4.583 4.740 -0.008 0.000 0.195 476 N C 2.061 177.642 175.510 0.118 0.000 1.028 476 N CA 1.241 54.361 53.050 0.117 0.000 0.861 476 N CB -0.658 37.904 38.487 0.125 0.000 1.029 476 N HN 0.244 nan 8.380 nan 0.000 0.428 477 L N 0.420 121.742 121.223 0.166 0.000 2.017 477 L HA -0.073 4.263 4.340 -0.008 0.000 0.208 477 L C 2.177 179.136 176.870 0.148 0.000 1.073 477 L CA 1.934 56.866 54.840 0.153 0.000 0.745 477 L CB -1.454 40.705 42.059 0.165 0.000 0.894 477 L HN 0.115 nan 8.230 nan 0.000 0.432 478 T N -0.891 113.785 114.554 0.203 0.000 2.833 478 T HA -0.190 4.155 4.350 -0.008 0.000 0.269 478 T C 1.905 176.746 174.700 0.235 0.000 1.054 478 T CA 1.575 63.817 62.100 0.237 0.000 1.135 478 T CB -0.135 68.978 68.868 0.408 0.000 0.869 478 T HN 0.404 nan 8.240 nan 0.000 0.466 479 K N 0.584 121.078 120.400 0.157 0.000 2.097 479 K HA -0.032 4.284 4.320 -0.008 0.000 0.206 479 K C 1.509 178.155 176.600 0.076 0.000 1.049 479 K CA 1.098 57.423 56.287 0.064 0.000 0.933 479 K CB -0.028 32.376 32.500 -0.161 0.000 0.717 479 K HN 0.475 nan 8.250 nan 0.000 0.442 480 E N 0.765 121.008 120.200 0.071 0.000 2.311 480 E HA 0.139 4.484 4.350 -0.008 0.000 0.198 480 E C -0.516 176.123 176.600 0.064 0.000 1.115 480 E CA -0.079 56.358 56.400 0.061 0.000 1.140 480 E CB 0.194 29.928 29.700 0.057 0.000 1.204 480 E HN 0.138 nan 8.360 nan 0.000 0.446 481 L N 1.268 122.539 121.223 0.080 0.000 2.386 481 L HA 0.351 4.686 4.340 -0.008 0.000 0.271 481 L C -0.369 176.541 176.870 0.067 0.000 0.993 481 L CA -0.963 53.916 54.840 0.065 0.000 0.819 481 L CB 2.100 44.200 42.059 0.069 0.000 1.294 481 L HN -0.060 nan 8.230 nan 0.000 0.414 482 K N 1.845 122.272 120.400 0.046 0.000 2.447 482 K HA 0.087 4.403 4.320 -0.008 0.000 0.281 482 K C -0.008 176.627 176.600 0.058 0.000 1.031 482 K CA 0.051 56.367 56.287 0.048 0.000 1.019 482 K CB 0.876 33.392 32.500 0.026 0.000 0.918 482 K HN 0.358 nan 8.250 nan 0.000 0.476 483 S N 3.903 119.645 115.700 0.071 0.000 2.465 483 S HA 0.181 4.646 4.470 -0.008 0.000 0.279 483 S C -1.186 173.463 174.600 0.083 0.000 1.201 483 S CA -1.685 56.554 58.200 0.065 0.000 1.053 483 S CB 0.675 63.885 63.200 0.016 0.000 0.953 483 S HN 0.497 nan 8.310 nan 0.000 0.488 484 P HA 0.026 nan 4.420 nan 0.000 0.224 484 P C -0.107 177.279 177.300 0.144 0.000 1.157 484 P CA 0.124 63.270 63.100 0.077 0.000 0.799 484 P CB -0.102 31.631 31.700 0.054 0.000 0.809 485 D N 2.263 122.783 120.400 0.201 0.000 2.622 485 D HA -0.082 4.553 4.640 -0.008 0.000 0.227 485 D C 0.629 177.090 176.300 0.268 0.000 1.159 485 D CA 0.934 55.068 54.000 0.223 0.000 0.865 485 D CB 0.713 41.493 40.800 -0.033 0.000 1.207 485 D HN 0.423 nan 8.370 nan 0.000 0.492 486 E N 0.415 120.777 120.200 0.271 0.000 2.257 486 E HA 0.380 4.725 4.350 -0.008 0.000 0.278 486 E C 0.787 177.545 176.600 0.263 0.000 1.049 486 E CA -0.503 56.023 56.400 0.211 0.000 0.876 486 E CB 0.761 30.553 29.700 0.154 0.000 1.035 486 E HN 0.594 nan 8.360 nan 0.000 0.419 487 G N 3.062 111.956 108.800 0.157 0.000 2.163 487 G HA2 -0.245 3.710 3.960 -0.008 0.000 0.213 487 G HA3 -0.245 3.710 3.960 -0.008 0.000 0.213 487 G C -0.278 174.499 174.900 -0.203 0.000 0.991 487 G CA -0.240 44.851 45.100 -0.014 0.000 0.653 487 G HN 0.474 nan 8.290 nan 0.000 0.518 488 F N 2.351 122.315 119.950 0.024 0.000 2.622 488 F HA 0.349 4.871 4.527 -0.008 0.000 0.338 488 F C 0.538 176.351 175.800 0.022 0.000 1.334 488 F CA -1.087 56.927 58.000 0.024 0.000 1.179 488 F CB 0.675 39.694 39.000 0.031 0.000 1.471 488 F HN 0.297 nan 8.300 nan 0.000 0.576 489 E N -0.302 119.962 120.200 0.106 0.000 2.299 489 E HA 0.407 4.752 4.350 -0.008 0.000 0.272 489 E C 1.073 177.718 176.600 0.075 0.000 1.043 489 E CA 0.068 56.511 56.400 0.071 0.000 0.895 489 E CB 0.991 30.705 29.700 0.024 0.000 1.011 489 E HN 0.680 nan 8.360 nan 0.000 0.432 490 G N 3.231 112.075 108.800 0.074 0.000 2.258 490 G HA2 -0.274 3.682 3.960 -0.008 0.000 0.274 490 G HA3 -0.274 3.682 3.960 -0.008 0.000 0.274 490 G C -0.183 174.773 174.900 0.093 0.000 1.021 490 G CA 0.232 45.372 45.100 0.067 0.000 0.798 490 G HN 0.438 nan 8.290 nan 0.000 0.507 491 K N 0.690 121.175 120.400 0.142 0.000 2.164 491 K HA 0.535 4.850 4.320 -0.008 0.000 0.258 491 K C 0.889 177.577 176.600 0.147 0.000 0.951 491 K CA -0.005 56.391 56.287 0.182 0.000 0.844 491 K CB 1.645 34.353 32.500 0.347 0.000 1.099 491 K HN 0.517 nan 8.250 nan 0.000 0.435 492 S N 2.203 117.988 115.700 0.142 0.000 2.568 492 S HA 0.026 4.491 4.470 -0.008 0.000 0.282 492 S C 1.455 176.132 174.600 0.129 0.000 1.338 492 S CA -0.542 57.742 58.200 0.140 0.000 1.045 492 S CB 0.493 63.799 63.200 0.177 0.000 0.873 492 S HN 0.665 nan 8.310 nan 0.000 0.516 493 L N 1.871 123.169 121.223 0.125 0.000 2.079 493 L HA -0.120 4.215 4.340 -0.008 0.000 0.210 493 L C 2.167 179.130 176.870 0.155 0.000 1.081 493 L CA 1.911 56.807 54.840 0.094 0.000 0.752 493 L CB -0.568 41.544 42.059 0.089 0.000 0.896 493 L HN 0.984 nan 8.230 nan 0.000 0.433 494 Y N 1.172 121.541 120.300 0.114 0.000 2.097 494 Y HA -0.325 4.221 4.550 -0.008 0.000 0.282 494 Y C 2.490 178.409 175.900 0.032 0.000 1.152 494 Y CA 2.232 60.415 58.100 0.138 0.000 1.136 494 Y CB -0.262 38.239 38.460 0.068 0.000 0.975 494 Y HN 0.242 nan 8.280 nan 0.000 0.498 495 E N -0.486 119.783 120.200 0.115 0.000 2.033 495 E HA -0.300 4.045 4.350 -0.008 0.000 0.199 495 E C 2.447 178.959 176.600 -0.146 0.000 1.011 495 E CA 1.715 58.119 56.400 0.007 0.000 0.815 495 E CB -0.475 29.316 29.700 0.151 0.000 0.755 495 E HN 0.482 nan 8.360 nan 0.000 0.451 496 S N 0.367 115.927 115.700 -0.233 0.000 2.369 496 S HA -0.241 4.224 4.470 -0.008 0.000 0.225 496 S C 1.741 176.095 174.600 -0.409 0.000 1.043 496 S CA 1.724 59.530 58.200 -0.656 0.000 1.074 496 S CB -0.530 62.304 63.200 -0.610 0.000 0.962 496 S HN 0.531 nan 8.310 nan 0.000 0.433 497 W N 2.242 123.264 121.300 -0.463 0.000 2.335 497 W HA -0.085 4.570 4.660 -0.008 0.000 0.311 497 W C 2.347 178.599 176.519 -0.445 0.000 1.213 497 W CA 2.268 59.344 57.345 -0.450 0.000 1.274 497 W CB -1.378 27.856 29.460 -0.377 0.000 1.148 497 W HN 0.362 nan 8.180 nan 0.000 0.498 498 T N 1.319 115.502 114.554 -0.617 0.000 2.569 498 T HA -0.281 4.064 4.350 -0.008 0.000 0.263 498 T C 1.785 176.244 174.700 -0.401 0.000 1.074 498 T CA 2.559 64.227 62.100 -0.721 0.000 1.176 498 T CB -0.572 67.821 68.868 -0.792 0.000 0.863 498 T HN 0.120 nan 8.240 nan 0.000 0.410 499 K N 1.128 121.370 120.400 -0.263 0.000 2.107 499 K HA -0.175 4.140 4.320 -0.008 0.000 0.211 499 K C 2.238 178.784 176.600 -0.091 0.000 1.049 499 K CA 1.496 57.713 56.287 -0.116 0.000 0.927 499 K CB -0.173 32.342 32.500 0.026 0.000 0.714 499 K HN 0.364 nan 8.250 nan 0.000 0.452 500 K N 0.341 120.639 120.400 -0.171 0.000 2.418 500 K HA -0.005 4.311 4.320 -0.008 0.000 0.195 500 K C 0.454 177.026 176.600 -0.046 0.000 1.035 500 K CA 0.819 57.004 56.287 -0.170 0.000 1.003 500 K CB 0.397 32.548 32.500 -0.580 0.000 0.793 500 K HN 0.118 nan 8.250 nan 0.000 0.494 501 S N 0.247 115.878 115.700 -0.116 0.000 2.689 501 S HA 0.246 4.711 4.470 -0.008 0.000 0.151 501 S C -3.108 171.387 174.600 -0.175 0.000 1.155 501 S CA -1.414 56.741 58.200 -0.074 0.000 1.144 501 S CB 0.905 64.069 63.200 -0.059 0.000 1.526 501 S HN -0.206 nan 8.310 nan 0.000 0.419 502 P HA 0.175 nan 4.420 nan 0.000 0.267 502 P C 0.078 177.295 177.300 -0.138 0.000 1.209 502 P CA 0.277 63.264 63.100 -0.188 0.000 0.763 502 P CB 0.707 32.328 31.700 -0.133 0.000 0.816 503 S N 5.314 120.907 115.700 -0.178 0.000 2.515 503 S HA 0.155 4.620 4.470 -0.008 0.000 0.285 503 S C -2.034 172.551 174.600 -0.026 0.000 1.265 503 S CA -1.178 56.967 58.200 -0.091 0.000 1.079 503 S CB -0.585 62.564 63.200 -0.084 0.000 0.877 503 S HN 0.211 nan 8.310 nan 0.000 0.493 504 P HA 0.048 nan 4.420 nan 0.000 0.270 504 P C 0.827 178.163 177.300 0.061 0.000 1.221 504 P CA 0.276 63.391 63.100 0.025 0.000 0.788 504 P CB 0.299 32.019 31.700 0.033 0.000 0.904 505 E N -0.462 119.778 120.200 0.067 0.000 4.234 505 E HA -0.323 4.023 4.350 -0.008 0.000 0.187 505 E C -0.425 176.290 176.600 0.190 0.000 1.237 505 E CA 1.020 57.487 56.400 0.113 0.000 2.362 505 E CB -1.427 28.342 29.700 0.114 0.000 1.813 505 E HN 0.350 nan 8.360 nan 0.000 0.402 506 F N 2.221 122.175 119.950 0.006 0.000 2.471 506 F HA 0.381 4.903 4.527 -0.008 0.000 0.318 506 F C 0.963 176.754 175.800 -0.016 0.000 1.308 506 F CA 0.345 58.350 58.000 0.008 0.000 1.162 506 F CB 0.499 39.516 39.000 0.030 0.000 1.383 506 F HN 0.216 nan 8.300 nan 0.000 0.552 507 S N -0.297 115.296 115.700 -0.178 0.000 2.559 507 S HA -0.153 4.313 4.470 -0.008 0.000 0.250 507 S C 2.069 176.495 174.600 -0.290 0.000 0.977 507 S CA 0.862 58.943 58.200 -0.199 0.000 0.958 507 S CB -0.703 62.401 63.200 -0.160 0.000 0.751 507 S HN 0.615 nan 8.310 nan 0.000 0.534 508 G N 1.117 109.625 108.800 -0.487 0.000 2.776 508 G HA2 0.318 4.273 3.960 -0.008 0.000 0.209 508 G HA3 0.318 4.273 3.960 -0.008 0.000 0.209 508 G C 0.363 175.179 174.900 -0.140 0.000 1.145 508 G CA 0.230 45.098 45.100 -0.386 0.000 0.791 508 G HN 0.707 nan 8.290 nan 0.000 0.530 509 M N -2.292 117.218 119.600 -0.151 0.000 2.578 509 M HA 0.425 4.900 4.480 -0.008 0.000 0.276 509 M C -3.298 172.737 176.300 -0.442 0.000 1.245 509 M CA -2.374 52.789 55.300 -0.229 0.000 0.871 509 M CB 1.434 34.048 32.600 0.023 0.000 1.722 509 M HN -0.354 nan 8.290 nan 0.000 0.473 510 P HA 0.056 nan 4.420 nan 0.000 0.267 510 P C -1.129 175.755 177.300 -0.693 0.000 1.201 510 P CA -0.087 62.270 63.100 -1.239 0.000 0.775 510 P CB 0.406 30.502 31.700 -2.674 0.000 0.854 511 R N 3.620 123.817 120.500 -0.505 0.000 2.267 511 R HA 0.354 4.689 4.340 -0.008 0.000 0.319 511 R C -0.760 175.522 176.300 -0.031 0.000 1.067 511 R CA -0.167 55.832 56.100 -0.168 0.000 0.936 511 R CB -0.230 30.043 30.300 -0.045 0.000 1.006 511 R HN 0.466 nan 8.270 nan 0.000 0.452 512 I N 3.829 124.339 120.570 -0.099 0.000 2.389 512 I HA 0.201 4.366 4.170 -0.008 0.000 0.288 512 I C -0.117 175.926 176.117 -0.125 0.000 0.999 512 I CA -0.605 60.612 61.300 -0.138 0.000 1.129 512 I CB 2.103 39.775 38.000 -0.547 0.000 1.288 512 I HN 0.675 nan 8.210 nan 0.000 0.444 513 S N 5.221 120.890 115.700 -0.052 0.000 2.713 513 S HA 0.479 4.944 4.470 -0.008 0.000 0.277 513 S C -0.122 174.414 174.600 -0.107 0.000 1.168 513 S CA -0.922 57.260 58.200 -0.031 0.000 0.994 513 S CB 1.170 64.385 63.200 0.025 0.000 1.054 513 S HN 0.446 nan 8.310 nan 0.000 0.555 514 K N 0.256 120.583 120.400 -0.122 0.000 2.087 514 K HA 0.465 4.781 4.320 -0.008 0.000 0.255 514 K C 0.169 176.567 176.600 -0.338 0.000 0.988 514 K CA -0.601 55.513 56.287 -0.289 0.000 0.915 514 K CB 0.713 33.068 32.500 -0.241 0.000 1.043 514 K HN 0.347 nan 8.250 nan 0.000 0.457 515 L N 0.499 121.396 121.223 -0.544 0.000 2.635 515 L HA 0.259 4.594 4.340 -0.008 0.000 0.144 515 L C 0.415 177.185 176.870 -0.167 0.000 1.632 515 L CA 0.537 55.062 54.840 -0.526 0.000 2.943 515 L CB -0.077 41.396 42.059 -0.977 0.000 3.002 515 L HN 0.944 nan 8.230 nan 0.000 0.812 516 G N 0.213 109.095 108.800 0.136 0.000 2.999 516 G HA2 -0.043 3.912 3.960 -0.008 0.000 0.686 516 G HA3 -0.043 3.912 3.960 -0.008 0.000 0.686 516 G C -0.120 174.898 174.900 0.197 0.000 1.057 516 G CA -0.357 44.879 45.100 0.226 0.000 0.784 516 G HN 1.364 nan 8.290 nan 0.000 0.575 517 S N 0.110 115.825 115.700 0.025 0.000 3.452 517 S HA 0.367 4.832 4.470 -0.008 0.000 0.850 517 S C 1.924 176.517 174.600 -0.012 0.000 1.095 517 S CA 1.281 59.414 58.200 -0.112 0.000 1.136 517 S CB -1.034 61.997 63.200 -0.281 0.000 1.088 517 S HN 3.350 nan 8.310 nan 0.000 0.306 518 G N 4.235 112.971 108.800 -0.106 0.000 1.781 518 G HA2 -0.022 3.933 3.960 -0.008 0.000 0.082 518 G HA3 -0.022 3.933 3.960 -0.008 0.000 0.082 518 G C -0.287 174.551 174.900 -0.103 0.000 0.919 518 G CA -0.018 45.100 45.100 0.030 0.000 1.202 518 G HN 0.969 nan 8.290 nan 0.000 0.393 519 N N 1.421 120.060 118.700 -0.103 0.000 2.381 519 N HA 0.184 4.919 4.740 -0.008 0.000 0.254 519 N C 0.873 176.176 175.510 -0.345 0.000 1.264 519 N CA 0.139 53.156 53.050 -0.055 0.000 0.942 519 N CB 0.647 39.349 38.487 0.358 0.000 1.190 519 N HN 0.445 nan 8.380 nan 0.000 0.495 520 D N 0.532 120.902 120.400 -0.051 0.000 2.244 520 D HA -0.236 4.399 4.640 -0.008 0.000 0.197 520 D C 1.643 177.897 176.300 -0.078 0.000 1.006 520 D CA 1.400 55.322 54.000 -0.130 0.000 0.888 520 D CB -0.268 40.516 40.800 -0.026 0.000 0.912 520 D HN 0.604 nan 8.370 nan 0.000 0.452 521 F N 1.534 121.742 119.950 0.429 0.000 2.307 521 F HA -0.056 4.466 4.527 -0.008 0.000 0.301 521 F C 2.039 178.022 175.800 0.305 0.000 1.076 521 F CA 0.865 59.243 58.000 0.631 0.000 1.383 521 F CB -0.847 38.517 39.000 0.607 0.000 1.055 521 F HN -0.107 nan 8.300 nan 0.000 0.526 522 E N 1.562 121.313 120.200 -0.749 0.000 2.086 522 E HA -0.260 4.085 4.350 -0.008 0.000 0.205 522 E C 2.052 178.601 176.600 -0.085 0.000 1.027 522 E CA 2.952 59.125 56.400 -0.378 0.000 0.830 522 E CB -0.329 29.131 29.700 -0.402 0.000 0.751 522 E HN 0.358 nan 8.360 nan 0.000 0.456 523 V N 0.140 119.868 119.914 -0.310 0.000 2.233 523 V HA -0.282 3.833 4.120 -0.008 0.000 0.247 523 V C 2.258 178.191 176.094 -0.267 0.000 1.050 523 V CA 2.349 64.399 62.300 -0.416 0.000 1.010 523 V CB -1.155 30.152 31.823 -0.859 0.000 0.637 523 V HN 0.303 nan 8.190 nan 0.000 0.444 524 F N -0.943 118.997 119.950 -0.017 0.000 2.161 524 F HA -0.136 4.386 4.527 -0.009 0.000 0.300 524 F C 2.170 178.128 175.800 0.264 0.000 1.089 524 F CA 2.037 60.083 58.000 0.077 0.000 1.282 524 F CB -0.477 38.504 39.000 -0.032 0.000 1.010 524 F HN 0.123 nan 8.300 nan 0.000 0.485 525 F N 0.767 120.940 119.950 0.372 0.000 2.138 525 F HA 0.015 4.538 4.527 -0.007 0.000 0.283 525 F C 2.265 178.248 175.800 0.303 0.000 1.100 525 F CA 1.106 59.325 58.000 0.366 0.000 1.189 525 F CB -0.761 38.505 39.000 0.444 0.000 1.060 525 F HN -0.272 nan 8.300 nan 0.000 0.492 526 Q N -0.110 119.799 119.800 0.182 0.000 2.482 526 Q HA 0.022 4.358 4.340 -0.008 0.000 0.209 526 Q C 1.762 177.829 176.000 0.112 0.000 0.961 526 Q CA 0.552 56.394 55.803 0.065 0.000 0.945 526 Q CB 0.127 28.906 28.738 0.067 0.000 1.012 526 Q HN 0.389 nan 8.270 nan 0.000 0.515 527 R N -1.659 118.889 120.500 0.081 0.000 2.428 527 R HA 0.211 4.546 4.340 -0.008 0.000 0.193 527 R C 1.181 177.495 176.300 0.023 0.000 0.852 527 R CA 0.159 56.298 56.100 0.065 0.000 1.055 527 R CB 0.253 30.574 30.300 0.035 0.000 1.343 527 R HN 0.205 nan 8.270 nan 0.000 0.655 528 L N -0.412 120.828 121.223 0.027 0.000 2.253 528 L HA 0.355 4.691 4.340 -0.008 0.000 0.205 528 L C 0.693 177.587 176.870 0.040 0.000 1.078 528 L CA 0.852 55.718 54.840 0.044 0.000 0.805 528 L CB 0.380 42.496 42.059 0.094 0.000 0.963 528 L HN 0.590 nan 8.230 nan 0.000 0.459 529 G N 1.403 110.226 108.800 0.037 0.000 2.270 529 G HA2 -0.197 3.758 3.960 -0.008 0.000 0.224 529 G HA3 -0.197 3.758 3.960 -0.008 0.000 0.224 529 G C -0.199 174.765 174.900 0.107 0.000 1.079 529 G CA -0.506 44.579 45.100 -0.026 0.000 0.807 529 G HN 0.190 nan 8.290 nan 0.000 0.492 530 I N 1.269 121.990 120.570 0.253 0.000 2.312 530 I HA 0.539 4.705 4.170 -0.008 0.000 0.290 530 I C 1.162 177.553 176.117 0.457 0.000 1.008 530 I CA -0.647 60.843 61.300 0.316 0.000 1.226 530 I CB 1.535 39.740 38.000 0.341 0.000 1.371 530 I HN 0.431 nan 8.210 nan 0.000 0.468 531 A N 5.627 128.662 122.820 0.358 0.000 2.587 531 A HA 0.337 4.652 4.320 -0.008 0.000 0.235 531 A C 0.393 178.152 177.584 0.291 0.000 1.044 531 A CA 0.493 52.713 52.037 0.305 0.000 0.754 531 A CB -0.096 18.890 19.000 -0.023 0.000 0.968 531 A HN 0.861 nan 8.150 nan 0.000 0.509 532 S N 0.645 116.437 115.700 0.153 0.000 2.636 532 S HA 0.893 5.359 4.470 -0.008 0.000 0.268 532 S C -0.283 174.196 174.600 -0.202 0.000 1.159 532 S CA -0.276 57.954 58.200 0.050 0.000 0.815 532 S CB 1.260 64.617 63.200 0.262 0.000 1.130 532 S HN 2.229 nan 8.310 nan 0.000 0.471 533 G N -0.107 108.569 108.800 -0.206 0.000 2.600 533 G HA2 0.779 4.734 3.960 -0.008 0.000 0.293 533 G HA3 0.779 4.734 3.960 -0.008 0.000 0.293 533 G C -1.816 172.929 174.900 -0.258 0.000 1.408 533 G CA -1.029 43.904 45.100 -0.280 0.000 0.782 533 G HN 0.980 nan 8.290 nan 0.000 0.482 534 R N -1.567 118.786 120.500 -0.244 0.000 2.817 534 R HA 0.914 5.249 4.340 -0.008 0.000 0.268 534 R C -1.005 175.214 176.300 -0.135 0.000 1.027 534 R CA -0.887 55.115 56.100 -0.162 0.000 0.928 534 R CB 2.017 32.218 30.300 -0.164 0.000 1.228 534 R HN 1.541 nan 8.270 nan 0.000 0.469 535 A N 1.017 123.779 122.820 -0.097 0.000 2.500 535 A HA 0.609 4.925 4.320 -0.008 0.000 0.291 535 A C -1.120 176.404 177.584 -0.100 0.000 1.048 535 A CA -0.842 51.112 52.037 -0.139 0.000 0.791 535 A CB 1.275 20.179 19.000 -0.160 0.000 1.309 535 A HN 0.748 nan 8.150 nan 0.000 0.397 536 R N 0.042 120.461 120.500 -0.134 0.000 3.150 536 R HA 0.684 5.020 4.340 -0.008 0.000 0.236 536 R C -1.624 174.580 176.300 -0.160 0.000 1.469 536 R CA -0.727 55.325 56.100 -0.080 0.000 1.045 536 R CB 1.180 31.466 30.300 -0.024 0.000 1.481 536 R HN 0.635 nan 8.270 nan 0.000 0.506 537 Y N -0.143 120.056 120.300 -0.169 0.000 2.338 537 Y HA 0.343 4.888 4.550 -0.008 0.000 0.333 537 Y C -0.203 175.592 175.900 -0.176 0.000 0.968 537 Y CA -0.012 57.949 58.100 -0.232 0.000 1.123 537 Y CB 2.332 40.640 38.460 -0.253 0.000 1.165 537 Y HN 0.429 nan 8.280 nan 0.000 0.452 538 T N 3.873 118.278 114.554 -0.248 0.000 2.807 538 T HA 0.450 4.795 4.350 -0.008 0.000 0.277 538 T C -0.741 173.902 174.700 -0.096 0.000 1.006 538 T CA -0.876 61.123 62.100 -0.168 0.000 1.006 538 T CB 0.889 69.510 68.868 -0.412 0.000 1.274 538 T HN 0.632 nan 8.240 nan 0.000 0.569 539 K N 1.279 121.651 120.400 -0.046 0.000 2.179 539 K HA 0.405 4.721 4.320 -0.008 0.000 0.238 539 K C 0.124 176.734 176.600 0.018 0.000 1.033 539 K CA -0.873 55.469 56.287 0.092 0.000 0.926 539 K CB 0.252 32.883 32.500 0.219 0.000 1.151 539 K HN 0.394 nan 8.250 nan 0.000 0.492 540 N N 0.585 119.278 118.700 -0.013 0.000 2.468 540 N HA -0.052 4.683 4.740 -0.008 0.000 0.265 540 N C -0.158 175.433 175.510 0.135 0.000 1.199 540 N CA -0.006 52.907 53.050 -0.229 0.000 0.928 540 N CB 0.189 38.233 38.487 -0.738 0.000 1.059 540 N HN 0.725 nan 8.380 nan 0.000 0.467 541 W N 2.111 123.390 121.300 -0.034 0.000 2.721 541 W HA -0.028 4.627 4.660 -0.008 0.000 0.245 541 W C 1.216 177.682 176.519 -0.088 0.000 1.276 541 W CA -0.164 57.154 57.345 -0.045 0.000 1.342 541 W CB 0.588 30.050 29.460 0.004 0.000 1.135 541 W HN 0.651 nan 8.180 nan 0.000 0.654 542 E N -1.684 118.587 120.200 0.117 0.000 2.391 542 E HA -0.036 4.309 4.350 -0.008 0.000 0.206 542 E C 1.926 178.499 176.600 -0.046 0.000 0.851 542 E CA 0.531 56.939 56.400 0.013 0.000 1.059 542 E CB 0.007 29.712 29.700 0.009 0.000 1.065 542 E HN -0.033 nan 8.360 nan 0.000 0.512 543 T N 1.392 115.898 114.554 -0.080 0.000 2.777 543 T HA -0.042 4.304 4.350 -0.008 0.000 0.266 543 T C 0.604 175.245 174.700 -0.098 0.000 1.040 543 T CA 0.983 63.031 62.100 -0.086 0.000 1.141 543 T CB -0.147 68.654 68.868 -0.111 0.000 0.868 543 T HN 0.083 nan 8.240 nan 0.000 0.444 544 N N 0.919 119.521 118.700 -0.163 0.000 2.443 544 N HA 0.281 5.016 4.740 -0.008 0.000 0.269 544 N C 0.122 175.328 175.510 -0.507 0.000 0.985 544 N CA -0.365 52.391 53.050 -0.490 0.000 0.921 544 N CB 1.738 39.865 38.487 -0.601 0.000 1.195 544 N HN 0.129 nan 8.380 nan 0.000 0.492 545 K N 1.134 121.236 120.400 -0.497 0.000 2.361 545 K HA 0.096 4.411 4.320 -0.008 0.000 0.194 545 K C 0.282 176.724 176.600 -0.263 0.000 1.032 545 K CA 0.273 56.382 56.287 -0.297 0.000 1.048 545 K CB 0.093 32.517 32.500 -0.127 0.000 0.842 545 K HN 0.437 nan 8.250 nan 0.000 0.526 546 F N 1.328 121.287 119.950 0.016 0.000 2.456 546 F HA 0.081 4.604 4.527 -0.008 0.000 0.306 546 F C 1.674 177.447 175.800 -0.045 0.000 1.278 546 F CA -1.036 56.965 58.000 0.002 0.000 1.264 546 F CB -0.449 38.601 39.000 0.083 0.000 1.253 546 F HN -0.142 nan 8.300 nan 0.000 0.554 547 S N 0.498 116.336 115.700 0.229 0.000 2.163 547 S HA 0.360 4.826 4.470 -0.008 0.000 0.151 547 S C 1.117 175.776 174.600 0.098 0.000 1.382 547 S CA -0.076 58.127 58.200 0.005 0.000 2.383 547 S CB -1.322 61.754 63.200 -0.208 0.000 0.325 547 S HN 1.018 nan 8.310 nan 0.000 0.349 548 G N 0.314 109.041 108.800 -0.122 0.000 2.631 548 G HA2 0.418 4.373 3.960 -0.008 0.000 0.271 548 G HA3 0.418 4.373 3.960 -0.008 0.000 0.271 548 G C -0.322 174.554 174.900 -0.039 0.000 1.302 548 G CA -0.322 44.645 45.100 -0.222 0.000 1.002 548 G HN 0.802 nan 8.290 nan 0.000 0.519 549 Y N -1.637 118.676 120.300 0.022 0.000 2.304 549 Y HA 0.563 5.108 4.550 -0.008 0.000 0.327 549 Y C -2.405 173.418 175.900 -0.129 0.000 1.209 549 Y CA -3.485 54.634 58.100 0.031 0.000 1.299 549 Y CB -0.306 38.179 38.460 0.043 0.000 1.249 549 Y HN 0.172 nan 8.280 nan 0.000 0.519 550 P HA 0.219 nan 4.420 nan 0.000 0.268 550 P C -0.564 176.794 177.300 0.098 0.000 1.204 550 P CA 0.177 63.240 63.100 -0.062 0.000 0.768 550 P CB 0.440 32.140 31.700 0.001 0.000 0.842 551 L N -0.703 120.534 121.223 0.022 0.000 4.253 551 L HA -0.264 4.071 4.340 -0.008 0.000 0.389 551 L C 1.110 178.085 176.870 0.175 0.000 1.092 551 L CA -0.183 54.728 54.840 0.119 0.000 1.053 551 L CB -2.206 39.945 42.059 0.153 0.000 2.114 551 L HN 0.345 nan 8.230 nan 0.000 0.607 552 Y N 1.703 121.847 120.300 -0.261 0.000 1.915 552 Y HA -0.233 4.313 4.550 -0.008 0.000 0.195 552 Y C 1.710 177.579 175.900 -0.051 0.000 0.952 552 Y CA 2.237 60.051 58.100 -0.477 0.000 0.919 552 Y CB -0.332 37.698 38.460 -0.717 0.000 0.873 552 Y HN 0.303 nan 8.280 nan 0.000 0.570 553 H N 0.452 119.087 119.070 -0.725 0.000 2.553 553 H HA 0.322 4.873 4.556 -0.008 0.000 0.222 553 H C -0.043 175.070 175.328 -0.359 0.000 1.779 553 H CA -0.244 55.383 56.048 -0.701 0.000 1.241 553 H CB -0.234 28.915 29.762 -1.021 0.000 1.647 553 H HN 0.275 nan 8.280 nan 0.000 0.523 554 S N -0.950 114.718 115.700 -0.054 0.000 2.739 554 S HA 0.220 4.685 4.470 -0.008 0.000 0.306 554 S C 1.309 175.895 174.600 -0.023 0.000 1.115 554 S CA -0.827 57.376 58.200 0.006 0.000 0.985 554 S CB 1.543 64.829 63.200 0.142 0.000 1.133 554 S HN 0.088 nan 8.310 nan 0.000 0.541 555 V N 0.192 120.058 119.914 -0.080 0.000 2.270 555 V HA -0.131 3.985 4.120 -0.008 0.000 0.245 555 V C 1.853 177.746 176.094 -0.334 0.000 1.043 555 V CA 1.626 63.769 62.300 -0.261 0.000 1.014 555 V CB -1.466 30.063 31.823 -0.491 0.000 0.645 555 V HN 0.906 nan 8.190 nan 0.000 0.447 556 Y N 0.492 120.682 120.300 -0.184 0.000 2.738 556 Y HA -0.098 4.447 4.550 -0.008 0.000 0.293 556 Y C 1.408 176.990 175.900 -0.529 0.000 1.156 556 Y CA 0.467 58.237 58.100 -0.550 0.000 1.410 556 Y CB -0.925 37.160 38.460 -0.626 0.000 0.966 556 Y HN 0.341 nan 8.280 nan 0.000 0.568 557 E N 1.794 121.912 120.200 -0.136 0.000 1.814 557 E HA 0.079 4.424 4.350 -0.008 0.000 0.264 557 E C -0.021 176.545 176.600 -0.057 0.000 1.179 557 E CA -0.115 56.248 56.400 -0.062 0.000 0.972 557 E CB 0.054 29.786 29.700 0.054 0.000 1.077 557 E HN 0.301 nan 8.360 nan 0.000 0.417 558 T N -0.846 113.625 114.554 -0.139 0.000 2.901 558 T HA 0.101 4.447 4.350 -0.008 0.000 0.293 558 T C 0.724 175.467 174.700 0.072 0.000 1.084 558 T CA -0.818 61.212 62.100 -0.116 0.000 1.008 558 T CB 0.888 69.541 68.868 -0.358 0.000 1.170 558 T HN 0.324 nan 8.240 nan 0.000 0.509 559 Y N 1.826 122.180 120.300 0.090 0.000 2.002 559 Y HA -0.262 4.283 4.550 -0.008 0.000 0.268 559 Y C 2.218 178.260 175.900 0.237 0.000 1.177 559 Y CA 2.629 60.859 58.100 0.218 0.000 1.111 559 Y CB -0.702 37.963 38.460 0.342 0.000 0.952 559 Y HN 0.847 nan 8.280 nan 0.000 0.491 560 E N 0.226 120.529 120.200 0.171 0.000 2.114 560 E HA -0.249 4.096 4.350 -0.008 0.000 0.199 560 E C 2.032 178.756 176.600 0.207 0.000 1.008 560 E CA 1.465 57.948 56.400 0.138 0.000 0.810 560 E CB -0.785 29.136 29.700 0.369 0.000 0.739 560 E HN 0.528 nan 8.360 nan 0.000 0.456 561 L N 0.054 121.444 121.223 0.277 0.000 2.081 561 L HA -0.191 4.144 4.340 -0.008 0.000 0.212 561 L C 1.915 178.971 176.870 0.310 0.000 1.080 561 L CA 1.562 56.596 54.840 0.324 0.000 0.754 561 L CB -0.345 41.783 42.059 0.116 0.000 0.893 561 L HN 0.051 nan 8.230 nan 0.000 0.433 562 V N -0.610 119.351 119.914 0.079 0.000 2.300 562 V HA -0.144 3.971 4.120 -0.008 0.000 0.241 562 V C 2.560 178.617 176.094 -0.061 0.000 1.034 562 V CA 1.568 63.881 62.300 0.022 0.000 1.021 562 V CB -0.629 31.121 31.823 -0.123 0.000 0.662 562 V HN 0.502 nan 8.190 nan 0.000 0.458 563 E N 0.896 120.927 120.200 -0.281 0.000 2.130 563 E HA -0.262 4.083 4.350 -0.008 0.000 0.196 563 E C 1.909 178.456 176.600 -0.088 0.000 0.998 563 E CA 1.542 57.779 56.400 -0.271 0.000 0.806 563 E CB 0.001 29.446 29.700 -0.425 0.000 0.738 563 E HN 0.563 nan 8.360 nan 0.000 0.459 564 K N -1.672 118.761 120.400 0.055 0.000 2.367 564 K HA 0.076 4.391 4.320 -0.008 0.000 0.194 564 K C 0.854 177.442 176.600 -0.020 0.000 1.027 564 K CA 0.100 56.425 56.287 0.063 0.000 1.075 564 K CB 0.471 33.072 32.500 0.168 0.000 0.845 564 K HN 0.070 nan 8.250 nan 0.000 0.529 565 F N -2.596 117.422 119.950 0.114 0.000 2.767 565 F HA 0.180 4.702 4.527 -0.008 0.000 0.329 565 F C 1.229 177.087 175.800 0.097 0.000 0.912 565 F CA -0.296 57.805 58.000 0.168 0.000 1.115 565 F CB 0.326 39.526 39.000 0.334 0.000 0.936 565 F HN -0.143 nan 8.300 nan 0.000 0.624 566 Y N -0.334 120.109 120.300 0.240 0.000 2.259 566 Y HA 0.188 4.733 4.550 -0.008 0.000 0.285 566 Y C 0.498 176.436 175.900 0.063 0.000 1.130 566 Y CA 0.668 58.864 58.100 0.161 0.000 1.144 566 Y CB 0.254 38.758 38.460 0.073 0.000 1.093 566 Y HN -0.295 nan 8.280 nan 0.000 0.507 567 D N -0.682 119.722 120.400 0.006 0.000 2.513 567 D HA 0.266 4.901 4.640 -0.008 0.000 0.295 567 D C -2.350 173.590 176.300 -0.599 0.000 1.202 567 D CA -2.241 51.592 54.000 -0.278 0.000 0.849 567 D CB 0.870 41.506 40.800 -0.275 0.000 1.116 567 D HN -0.084 nan 8.370 nan 0.000 0.502 568 P HA -0.157 nan 4.420 nan 0.000 0.214 568 P C 1.573 178.815 177.300 -0.096 0.000 1.163 568 P CA 1.125 64.106 63.100 -0.198 0.000 0.889 568 P CB 0.172 31.795 31.700 -0.128 0.000 0.790 569 M N -3.420 116.100 119.600 -0.133 0.000 2.492 569 M HA 0.096 4.571 4.480 -0.008 0.000 0.262 569 M C 0.330 176.682 176.300 0.087 0.000 1.090 569 M CA 0.629 55.907 55.300 -0.037 0.000 1.110 569 M CB -1.144 31.383 32.600 -0.122 0.000 1.407 569 M HN -0.055 nan 8.290 nan 0.000 0.470 570 F N -0.447 119.379 119.950 -0.205 0.000 2.926 570 F HA -0.359 4.163 4.527 -0.008 0.000 0.288 570 F C 1.189 176.903 175.800 -0.144 0.000 0.756 570 F CA 0.612 58.503 58.000 -0.181 0.000 1.292 570 F CB -1.821 37.080 39.000 -0.165 0.000 1.482 570 F HN 0.161 nan 8.300 nan 0.000 0.400 571 K N -0.274 120.007 120.400 -0.197 0.000 1.978 571 K HA -0.201 4.114 4.320 -0.008 0.000 0.214 571 K C 1.520 178.050 176.600 -0.117 0.000 1.049 571 K CA 2.267 58.416 56.287 -0.229 0.000 0.939 571 K CB -0.492 31.718 32.500 -0.483 0.000 0.721 571 K HN 0.509 nan 8.250 nan 0.000 0.441 572 Y N 0.769 120.963 120.300 -0.176 0.000 2.139 572 Y HA -0.304 4.241 4.550 -0.008 0.000 0.282 572 Y C 2.612 178.483 175.900 -0.048 0.000 1.179 572 Y CA 1.094 58.993 58.100 -0.334 0.000 1.161 572 Y CB -0.475 37.685 38.460 -0.499 0.000 0.970 572 Y HN 0.309 nan 8.280 nan 0.000 0.511 573 H N -0.783 118.344 119.070 0.097 0.000 2.357 573 H HA -0.171 4.380 4.556 -0.008 0.000 0.301 573 H C 2.240 177.648 175.328 0.133 0.000 1.082 573 H CA 1.393 57.539 56.048 0.164 0.000 1.342 573 H CB -0.116 29.836 29.762 0.316 0.000 1.389 573 H HN 0.279 nan 8.280 nan 0.000 0.511 574 L N 0.598 121.955 121.223 0.223 0.000 2.046 574 L HA -0.143 4.192 4.340 -0.008 0.000 0.208 574 L C 2.360 179.266 176.870 0.059 0.000 1.077 574 L CA 1.503 56.403 54.840 0.099 0.000 0.747 574 L CB -0.504 41.578 42.059 0.039 0.000 0.896 574 L HN 0.099 nan 8.230 nan 0.000 0.432 575 T N -1.199 113.400 114.554 0.075 0.000 2.614 575 T HA -0.194 4.151 4.350 -0.008 0.000 0.263 575 T C 1.918 176.663 174.700 0.076 0.000 1.055 575 T CA 1.879 64.025 62.100 0.076 0.000 1.162 575 T CB -0.460 68.486 68.868 0.130 0.000 0.863 575 T HN 0.161 nan 8.240 nan 0.000 0.414 576 V N 1.975 121.953 119.914 0.107 0.000 2.313 576 V HA -0.301 3.815 4.120 -0.008 0.000 0.253 576 V C 2.854 178.982 176.094 0.056 0.000 1.070 576 V CA 2.008 64.349 62.300 0.068 0.000 1.057 576 V CB -1.308 30.549 31.823 0.058 0.000 0.653 576 V HN 0.591 nan 8.190 nan 0.000 0.450 577 A N -0.750 122.111 122.820 0.068 0.000 1.908 577 A HA -0.313 4.002 4.320 -0.008 0.000 0.218 577 A C 2.167 179.769 177.584 0.030 0.000 1.181 577 A CA 2.181 54.253 52.037 0.059 0.000 0.627 577 A CB -0.448 18.582 19.000 0.049 0.000 0.818 577 A HN 0.711 nan 8.150 nan 0.000 0.445 578 Q N -0.619 119.184 119.800 0.004 0.000 2.083 578 Q HA -0.060 4.275 4.340 -0.008 0.000 0.198 578 Q C 2.157 178.194 176.000 0.062 0.000 0.969 578 Q CA 1.342 57.142 55.803 -0.006 0.000 0.838 578 Q CB -0.465 28.256 28.738 -0.028 0.000 0.900 578 Q HN 0.457 nan 8.270 nan 0.000 0.436 579 V N 1.634 121.575 119.914 0.045 0.000 2.219 579 V HA -0.327 3.788 4.120 -0.008 0.000 0.248 579 V C 2.360 178.500 176.094 0.076 0.000 1.053 579 V CA 2.118 64.439 62.300 0.036 0.000 1.009 579 V CB -0.623 31.180 31.823 -0.033 0.000 0.636 579 V HN 0.326 nan 8.190 nan 0.000 0.445 580 R N -0.080 120.466 120.500 0.076 0.000 2.097 580 R HA -0.166 4.170 4.340 -0.008 0.000 0.236 580 R C 2.477 178.893 176.300 0.193 0.000 1.135 580 R CA 1.732 57.898 56.100 0.110 0.000 0.934 580 R CB -1.224 29.142 30.300 0.109 0.000 0.846 580 R HN 0.614 nan 8.270 nan 0.000 0.431 581 G N 0.428 109.378 108.800 0.251 0.000 2.553 581 G HA2 -0.322 3.633 3.960 -0.008 0.000 0.218 581 G HA3 -0.322 3.633 3.960 -0.008 0.000 0.218 581 G C 1.568 176.700 174.900 0.387 0.000 1.195 581 G CA 1.219 46.582 45.100 0.438 0.000 0.779 581 G HN 0.496 nan 8.290 nan 0.000 0.577 582 G N 0.757 109.749 108.800 0.320 0.000 2.574 582 G HA2 -0.329 3.627 3.960 -0.008 0.000 0.220 582 G HA3 -0.329 3.627 3.960 -0.008 0.000 0.220 582 G C 1.864 176.933 174.900 0.283 0.000 1.173 582 G CA 1.711 46.978 45.100 0.280 0.000 0.772 582 G HN 0.327 nan 8.290 nan 0.000 0.585 583 M N 0.107 119.836 119.600 0.215 0.000 2.255 583 M HA -0.141 4.334 4.480 -0.008 0.000 0.260 583 M C 2.802 179.221 176.300 0.198 0.000 1.069 583 M CA 1.336 56.747 55.300 0.184 0.000 1.089 583 M CB -1.572 31.107 32.600 0.131 0.000 1.269 583 M HN 0.128 nan 8.290 nan 0.000 0.434 584 V N 0.210 120.247 119.914 0.206 0.000 2.250 584 V HA -0.311 3.804 4.120 -0.008 0.000 0.253 584 V C 2.253 178.468 176.094 0.202 0.000 1.065 584 V CA 2.334 64.746 62.300 0.187 0.000 1.039 584 V CB -0.960 31.029 31.823 0.276 0.000 0.647 584 V HN 0.274 nan 8.190 nan 0.000 0.446 585 F N 0.835 120.881 119.950 0.159 0.000 2.011 585 F HA -0.196 4.327 4.527 -0.007 0.000 0.296 585 F C 2.618 178.475 175.800 0.094 0.000 1.144 585 F CA 2.276 60.356 58.000 0.132 0.000 1.185 585 F CB -0.482 38.548 39.000 0.050 0.000 0.961 585 F HN 0.107 nan 8.300 nan 0.000 0.485 586 E N 0.635 120.991 120.200 0.259 0.000 2.048 586 E HA -0.279 4.066 4.350 -0.008 0.000 0.202 586 E C 2.402 179.008 176.600 0.010 0.000 1.021 586 E CA 2.068 58.547 56.400 0.132 0.000 0.825 586 E CB -1.061 28.754 29.700 0.191 0.000 0.756 586 E HN 0.464 nan 8.360 nan 0.000 0.454 587 L N 0.344 121.593 121.223 0.043 0.000 1.997 587 L HA -0.232 4.103 4.340 -0.008 0.000 0.216 587 L C 2.310 179.124 176.870 -0.092 0.000 1.074 587 L CA 1.732 56.566 54.840 -0.011 0.000 0.763 587 L CB -0.476 41.618 42.059 0.058 0.000 0.890 587 L HN 0.082 nan 8.230 nan 0.000 0.434 588 A N -1.744 121.004 122.820 -0.120 0.000 2.276 588 A HA -0.020 4.295 4.320 -0.008 0.000 0.212 588 A C 1.519 178.951 177.584 -0.253 0.000 1.230 588 A CA 1.075 52.997 52.037 -0.191 0.000 0.844 588 A CB -0.435 18.421 19.000 -0.239 0.000 0.860 588 A HN 0.530 nan 8.150 nan 0.000 0.486 589 N N -2.080 116.468 118.700 -0.253 0.000 2.066 589 N HA 0.033 4.768 4.740 -0.008 0.000 0.232 589 N C 0.105 175.526 175.510 -0.148 0.000 1.316 589 N CA 0.441 53.331 53.050 -0.266 0.000 0.847 589 N CB 0.655 38.846 38.487 -0.493 0.000 1.165 589 N HN 0.091 nan 8.380 nan 0.000 0.471 590 S N 1.517 117.157 115.700 -0.100 0.000 2.455 590 S HA 0.170 4.635 4.470 -0.008 0.000 0.278 590 S C 1.739 176.317 174.600 -0.035 0.000 1.216 590 S CA -0.527 57.654 58.200 -0.033 0.000 1.055 590 S CB -0.245 62.959 63.200 0.007 0.000 0.939 590 S HN 0.144 nan 8.310 nan 0.000 0.494 591 I N 5.290 125.851 120.570 -0.014 0.000 2.253 591 I HA -0.213 3.953 4.170 -0.008 0.000 0.234 591 I C 1.141 177.265 176.117 0.012 0.000 0.978 591 I CA 1.571 62.871 61.300 -0.000 0.000 1.271 591 I CB -1.396 36.615 38.000 0.018 0.000 0.978 591 I HN 0.405 nan 8.210 nan 0.000 0.394 592 V N 2.607 122.543 119.914 0.036 0.000 2.481 592 V HA 0.213 4.328 4.120 -0.008 0.000 0.286 592 V C 0.529 176.616 176.094 -0.011 0.000 1.042 592 V CA -0.683 61.650 62.300 0.055 0.000 0.928 592 V CB 1.518 33.416 31.823 0.125 0.000 0.986 592 V HN 0.131 nan 8.190 nan 0.000 0.462 593 L N 6.390 127.560 121.223 -0.088 0.000 2.525 593 L HA 0.085 4.421 4.340 -0.008 0.000 0.278 593 L C -1.371 175.411 176.870 -0.147 0.000 1.218 593 L CA -0.983 53.700 54.840 -0.262 0.000 0.878 593 L CB 0.376 42.083 42.059 -0.587 0.000 1.127 593 L HN 0.523 nan 8.230 nan 0.000 0.492 594 P HA -0.079 nan 4.420 nan 0.000 0.261 594 P C -0.365 177.175 177.300 0.399 0.000 1.288 594 P CA 0.927 64.110 63.100 0.140 0.000 0.751 594 P CB -0.202 31.594 31.700 0.160 0.000 1.103 595 F N -0.301 119.728 119.950 0.133 0.000 2.378 595 F HA 0.312 4.833 4.527 -0.009 0.000 0.325 595 F C 0.745 176.643 175.800 0.163 0.000 1.097 595 F CA -0.968 57.122 58.000 0.150 0.000 1.079 595 F CB 1.044 40.141 39.000 0.162 0.000 1.240 595 F HN -0.249 nan 8.300 nan 0.000 0.519 596 D N 0.793 121.398 120.400 0.342 0.000 2.364 596 D HA 0.181 4.816 4.640 -0.008 0.000 0.251 596 D C 0.617 177.058 176.300 0.235 0.000 1.282 596 D CA -0.485 53.669 54.000 0.256 0.000 0.927 596 D CB 0.484 41.390 40.800 0.177 0.000 1.267 596 D HN 0.597 nan 8.370 nan 0.000 0.531 597 C N 1.954 121.431 119.300 0.295 0.000 2.392 597 C HA -0.237 4.218 4.460 -0.008 0.000 0.276 597 C C 2.368 177.563 174.990 0.342 0.000 1.212 597 C CA 0.591 59.803 59.018 0.324 0.000 1.791 597 C CB -1.070 26.806 27.740 0.226 0.000 2.063 597 C HN 0.586 nan 8.230 nan 0.000 0.481 598 R N 1.463 122.108 120.500 0.241 0.000 2.133 598 R HA -0.137 4.198 4.340 -0.008 0.000 0.247 598 R C 1.850 178.247 176.300 0.161 0.000 1.151 598 R CA 2.159 58.377 56.100 0.198 0.000 0.971 598 R CB -0.532 29.846 30.300 0.131 0.000 0.866 598 R HN 0.622 nan 8.270 nan 0.000 0.447 599 D N -0.374 120.075 120.400 0.081 0.000 2.144 599 D HA -0.172 4.463 4.640 -0.008 0.000 0.199 599 D C 1.628 177.874 176.300 -0.091 0.000 0.984 599 D CA 1.180 55.132 54.000 -0.079 0.000 0.834 599 D CB -0.240 40.391 40.800 -0.282 0.000 0.955 599 D HN 0.306 nan 8.370 nan 0.000 0.465 600 Y N 1.326 121.595 120.300 -0.051 0.000 2.333 600 Y HA -0.205 4.341 4.550 -0.007 0.000 0.290 600 Y C 2.380 178.196 175.900 -0.140 0.000 1.144 600 Y CA 1.015 59.048 58.100 -0.111 0.000 1.228 600 Y CB 0.111 38.557 38.460 -0.025 0.000 0.985 600 Y HN -0.064 nan 8.280 nan 0.000 0.542 601 A N -0.576 122.409 122.820 0.275 0.000 1.832 601 A HA -0.186 4.129 4.320 -0.008 0.000 0.214 601 A C 2.270 179.906 177.584 0.086 0.000 1.200 601 A CA 2.007 54.206 52.037 0.270 0.000 0.610 601 A CB -1.296 17.947 19.000 0.405 0.000 0.842 601 A HN 0.204 nan 8.150 nan 0.000 0.444 602 V N 0.713 120.655 119.914 0.046 0.000 2.250 602 V HA -0.333 3.783 4.120 -0.008 0.000 0.250 602 V C 2.732 178.751 176.094 -0.126 0.000 1.060 602 V CA 2.434 64.718 62.300 -0.027 0.000 1.030 602 V CB -1.733 30.063 31.823 -0.044 0.000 0.643 602 V HN 0.632 nan 8.190 nan 0.000 0.445 603 V N -1.506 118.273 119.914 -0.224 0.000 2.358 603 V HA -0.208 3.907 4.120 -0.008 0.000 0.246 603 V C 2.277 177.972 176.094 -0.665 0.000 1.047 603 V CA 1.893 63.883 62.300 -0.517 0.000 1.035 603 V CB -0.912 30.616 31.823 -0.492 0.000 0.658 603 V HN 0.444 nan 8.190 nan 0.000 0.452 604 L N -0.114 120.983 121.223 -0.211 0.000 1.990 604 L HA -0.222 4.113 4.340 -0.008 0.000 0.213 604 L C 2.949 179.870 176.870 0.084 0.000 1.072 604 L CA 2.464 57.331 54.840 0.044 0.000 0.755 604 L CB -0.705 41.354 42.059 0.001 0.000 0.889 604 L HN 0.366 nan 8.230 nan 0.000 0.432 605 R N 0.887 121.406 120.500 0.031 0.000 2.122 605 R HA -0.220 4.115 4.340 -0.008 0.000 0.236 605 R C 2.174 178.525 176.300 0.085 0.000 1.129 605 R CA 1.967 58.121 56.100 0.090 0.000 0.925 605 R CB -0.460 29.895 30.300 0.092 0.000 0.850 605 R HN 0.205 nan 8.270 nan 0.000 0.431 606 K N -0.871 119.507 120.400 -0.037 0.000 2.052 606 K HA -0.267 4.048 4.320 -0.008 0.000 0.215 606 K C 2.308 178.952 176.600 0.072 0.000 1.053 606 K CA 2.384 58.645 56.287 -0.043 0.000 0.934 606 K CB -0.600 31.773 32.500 -0.211 0.000 0.717 606 K HN 0.352 nan 8.250 nan 0.000 0.450 607 Y N 0.651 121.022 120.300 0.118 0.000 2.081 607 Y HA -0.336 4.209 4.550 -0.008 0.000 0.280 607 Y C 2.730 178.815 175.900 0.308 0.000 1.163 607 Y CA 0.618 58.831 58.100 0.187 0.000 1.135 607 Y CB -0.401 38.100 38.460 0.068 0.000 0.970 607 Y HN 0.186 nan 8.280 nan 0.000 0.498 608 A N 0.483 123.543 122.820 0.399 0.000 1.859 608 A HA -0.258 4.057 4.320 -0.008 0.000 0.217 608 A C 1.917 179.585 177.584 0.141 0.000 1.198 608 A CA 2.185 54.214 52.037 -0.012 0.000 0.629 608 A CB -0.941 17.758 19.000 -0.502 0.000 0.830 608 A HN 0.440 nan 8.150 nan 0.000 0.446 609 D N -0.348 120.227 120.400 0.293 0.000 2.137 609 D HA -0.231 4.404 4.640 -0.008 0.000 0.189 609 D C 1.924 178.434 176.300 0.351 0.000 0.998 609 D CA 2.044 56.306 54.000 0.435 0.000 0.839 609 D CB -0.321 40.667 40.800 0.315 0.000 0.962 609 D HN 0.380 nan 8.370 nan 0.000 0.446 610 K N 1.123 121.686 120.400 0.272 0.000 2.034 610 K HA -0.199 4.116 4.320 -0.008 0.000 0.214 610 K C 2.084 178.833 176.600 0.248 0.000 1.051 610 K CA 1.034 57.463 56.287 0.237 0.000 0.931 610 K CB -0.933 31.710 32.500 0.237 0.000 0.715 610 K HN 0.140 nan 8.250 nan 0.000 0.446 611 I N 0.127 120.877 120.570 0.301 0.000 2.315 611 I HA -0.171 3.994 4.170 -0.008 0.000 0.248 611 I C 2.041 178.309 176.117 0.252 0.000 1.117 611 I CA 1.152 62.634 61.300 0.303 0.000 1.404 611 I CB -0.501 37.700 38.000 0.335 0.000 1.071 611 I HN 0.373 nan 8.210 nan 0.000 0.419 612 Y N 1.205 121.560 120.300 0.092 0.000 2.145 612 Y HA -0.285 4.260 4.550 -0.008 0.000 0.286 612 Y C 2.741 178.537 175.900 -0.174 0.000 1.145 612 Y CA 1.932 59.900 58.100 -0.219 0.000 1.148 612 Y CB -0.915 37.599 38.460 0.090 0.000 0.981 612 Y HN 0.375 nan 8.280 nan 0.000 0.507 613 S N 0.013 115.649 115.700 -0.107 0.000 2.447 613 S HA -0.127 4.338 4.470 -0.008 0.000 0.233 613 S C 1.859 176.378 174.600 -0.134 0.000 1.006 613 S CA 1.191 59.278 58.200 -0.187 0.000 0.957 613 S CB -0.786 62.416 63.200 0.004 0.000 0.773 613 S HN 0.451 nan 8.310 nan 0.000 0.507 614 I N 1.959 122.512 120.570 -0.029 0.000 2.252 614 I HA -0.052 4.114 4.170 -0.008 0.000 0.245 614 I C 2.786 178.903 176.117 0.000 0.000 1.102 614 I CA 1.170 62.482 61.300 0.019 0.000 1.385 614 I CB -1.808 36.256 38.000 0.106 0.000 1.064 614 I HN 0.430 nan 8.210 nan 0.000 0.414 615 S N 0.427 116.111 115.700 -0.028 0.000 2.387 615 S HA -0.055 4.410 4.470 -0.008 0.000 0.226 615 S C 1.835 176.420 174.600 -0.026 0.000 1.026 615 S CA 0.803 59.054 58.200 0.085 0.000 0.972 615 S CB -0.057 63.181 63.200 0.063 0.000 0.814 615 S HN 0.206 nan 8.310 nan 0.000 0.477 616 M N 1.366 120.770 119.600 -0.325 0.000 2.748 616 M HA 0.128 4.603 4.480 -0.008 0.000 0.241 616 M C 1.180 177.360 176.300 -0.199 0.000 1.080 616 M CA 0.722 55.824 55.300 -0.329 0.000 1.068 616 M CB -0.874 31.403 32.600 -0.539 0.000 1.536 616 M HN 0.221 nan 8.290 nan 0.000 0.540 617 K N -0.421 119.868 120.400 -0.185 0.000 2.522 617 K HA -0.020 4.295 4.320 -0.008 0.000 0.194 617 K C -0.087 176.160 176.600 -0.589 0.000 1.026 617 K CA 0.440 56.533 56.287 -0.324 0.000 1.119 617 K CB 0.267 32.564 32.500 -0.339 0.000 0.856 617 K HN 0.368 nan 8.250 nan 0.000 0.513 618 H N -0.820 118.249 119.070 -0.002 0.000 3.186 618 H HA 0.083 4.634 4.556 -0.008 0.000 0.219 618 H C -2.090 173.188 175.328 -0.083 0.000 1.393 618 H CA -1.236 54.808 56.048 -0.005 0.000 1.183 618 H CB 0.746 30.561 29.762 0.090 0.000 2.346 618 H HN 0.050 nan 8.280 nan 0.000 0.535 619 P HA -0.303 nan 4.420 nan 0.000 0.220 619 P C 1.670 178.941 177.300 -0.048 0.000 1.155 619 P CA 1.552 64.623 63.100 -0.048 0.000 0.880 619 P CB 0.714 32.383 31.700 -0.051 0.000 0.790 620 Q N 0.157 119.939 119.800 -0.031 0.000 1.965 620 Q HA -0.186 4.150 4.340 -0.008 0.000 0.200 620 Q C 2.252 178.197 176.000 -0.091 0.000 0.981 620 Q CA 1.633 57.411 55.803 -0.042 0.000 0.834 620 Q CB -0.336 28.394 28.738 -0.014 0.000 0.900 620 Q HN 0.109 nan 8.270 nan 0.000 0.426 621 E N 0.199 120.324 120.200 -0.126 0.000 2.219 621 E HA -0.208 4.138 4.350 -0.008 0.000 0.198 621 E C 1.873 178.167 176.600 -0.511 0.000 0.998 621 E CA 1.439 57.663 56.400 -0.293 0.000 0.818 621 E CB -0.071 29.355 29.700 -0.456 0.000 0.741 621 E HN 0.415 nan 8.360 nan 0.000 0.477 622 M N -0.161 119.179 119.600 -0.434 0.000 2.077 622 M HA -0.178 4.297 4.480 -0.008 0.000 0.261 622 M C 2.330 178.550 176.300 -0.133 0.000 1.070 622 M CA 1.469 56.568 55.300 -0.336 0.000 1.125 622 M CB -0.126 32.395 32.600 -0.132 0.000 1.339 622 M HN -0.075 nan 8.290 nan 0.000 0.409 623 K N -0.536 119.813 120.400 -0.085 0.000 2.148 623 K HA -0.101 4.215 4.320 -0.008 0.000 0.204 623 K C 1.661 178.220 176.600 -0.068 0.000 1.050 623 K CA 1.514 57.774 56.287 -0.045 0.000 0.942 623 K CB 0.021 32.500 32.500 -0.035 0.000 0.724 623 K HN 0.233 nan 8.250 nan 0.000 0.446 624 T N 0.198 114.694 114.554 -0.096 0.000 2.607 624 T HA -0.188 4.157 4.350 -0.008 0.000 0.267 624 T C 0.822 175.373 174.700 -0.248 0.000 1.049 624 T CA 1.666 63.664 62.100 -0.170 0.000 1.162 624 T CB -0.356 68.417 68.868 -0.159 0.000 0.863 624 T HN 0.268 nan 8.240 nan 0.000 0.424 625 Y N 1.291 121.478 120.300 -0.188 0.000 2.537 625 Y HA 0.470 5.015 4.550 -0.008 0.000 0.303 625 Y C 1.186 177.060 175.900 -0.044 0.000 1.176 625 Y CA -0.639 57.396 58.100 -0.107 0.000 1.273 625 Y CB -0.593 37.798 38.460 -0.115 0.000 1.110 625 Y HN 0.121 nan 8.280 nan 0.000 0.518 626 S N 0.639 116.374 115.700 0.058 0.000 3.356 626 S HA -0.148 4.317 4.470 -0.008 0.000 0.376 626 S C -0.462 174.214 174.600 0.126 0.000 0.924 626 S CA 0.062 58.304 58.200 0.070 0.000 1.316 626 S CB -1.189 62.041 63.200 0.050 0.000 0.922 626 S HN 0.194 nan 8.310 nan 0.000 0.553 627 V N 4.439 124.442 119.914 0.148 0.000 2.259 627 V HA 0.470 4.585 4.120 -0.008 0.000 0.267 627 V C 0.625 176.919 176.094 0.333 0.000 1.051 627 V CA 0.081 62.533 62.300 0.254 0.000 0.830 627 V CB 1.023 33.048 31.823 0.337 0.000 1.080 627 V HN 0.716 nan 8.190 nan 0.000 0.467 628 S N 3.028 118.895 115.700 0.278 0.000 2.669 628 S HA 0.610 5.075 4.470 -0.008 0.000 0.270 628 S C 0.074 174.940 174.600 0.444 0.000 1.225 628 S CA -0.104 58.298 58.200 0.337 0.000 0.991 628 S CB 0.966 64.283 63.200 0.195 0.000 0.987 628 S HN 0.488 nan 8.310 nan 0.000 0.552 629 F N -0.152 119.930 119.950 0.219 0.000 2.915 629 F HA 0.300 4.823 4.527 -0.007 0.000 0.347 629 F C 1.372 177.330 175.800 0.264 0.000 1.104 629 F CA -0.479 57.675 58.000 0.256 0.000 1.126 629 F CB 0.312 39.568 39.000 0.426 0.000 1.145 629 F HN 0.510 nan 8.300 nan 0.000 0.541 630 D N 0.342 120.933 120.400 0.318 0.000 2.133 630 D HA -0.190 4.445 4.640 -0.008 0.000 0.195 630 D C 2.214 178.630 176.300 0.194 0.000 0.997 630 D CA 2.046 56.183 54.000 0.228 0.000 0.840 630 D CB -0.456 40.425 40.800 0.134 0.000 0.947 630 D HN 0.293 nan 8.370 nan 0.000 0.452 631 S N 1.609 117.387 115.700 0.129 0.000 2.377 631 S HA -0.232 4.234 4.470 -0.008 0.000 0.224 631 S C 2.103 176.743 174.600 0.067 0.000 1.042 631 S CA 1.082 59.337 58.200 0.091 0.000 1.086 631 S CB -0.936 62.308 63.200 0.073 0.000 0.995 631 S HN 0.214 nan 8.310 nan 0.000 0.428 632 L N 1.049 122.261 121.223 -0.018 0.000 1.971 632 L HA -0.008 4.327 4.340 -0.008 0.000 0.215 632 L C 2.288 179.107 176.870 -0.086 0.000 1.072 632 L CA 1.733 56.492 54.840 -0.134 0.000 0.758 632 L CB -1.115 40.722 42.059 -0.370 0.000 0.889 632 L HN 0.285 nan 8.230 nan 0.000 0.433 633 F N -0.563 119.407 119.950 0.033 0.000 2.154 633 F HA -0.275 4.247 4.527 -0.007 0.000 0.301 633 F C 2.864 178.693 175.800 0.048 0.000 1.087 633 F CA 1.711 59.733 58.000 0.036 0.000 1.274 633 F CB -0.716 38.281 39.000 -0.005 0.000 1.009 633 F HN 0.321 nan 8.300 nan 0.000 0.485 634 S N 0.120 115.950 115.700 0.217 0.000 2.349 634 S HA -0.231 4.234 4.470 -0.008 0.000 0.216 634 S C 2.415 177.095 174.600 0.133 0.000 1.033 634 S CA 1.370 59.661 58.200 0.151 0.000 1.021 634 S CB -0.840 62.431 63.200 0.118 0.000 0.968 634 S HN 0.310 nan 8.310 nan 0.000 0.426 635 A N 1.210 124.097 122.820 0.111 0.000 1.909 635 A HA -0.156 4.159 4.320 -0.008 0.000 0.221 635 A C 2.416 180.097 177.584 0.162 0.000 1.223 635 A CA 2.589 54.693 52.037 0.111 0.000 0.658 635 A CB -1.612 17.437 19.000 0.081 0.000 0.831 635 A HN 0.592 nan 8.150 nan 0.000 0.462 636 V N -0.137 119.865 119.914 0.147 0.000 2.282 636 V HA -0.343 3.772 4.120 -0.008 0.000 0.249 636 V C 2.446 178.676 176.094 0.225 0.000 1.057 636 V CA 2.538 64.949 62.300 0.185 0.000 1.032 636 V CB -0.856 31.043 31.823 0.128 0.000 0.645 636 V HN 0.592 nan 8.190 nan 0.000 0.447 637 K N 0.344 120.857 120.400 0.189 0.000 1.988 637 K HA -0.282 4.033 4.320 -0.008 0.000 0.221 637 K C 2.053 178.743 176.600 0.150 0.000 1.053 637 K CA 2.464 58.848 56.287 0.161 0.000 0.959 637 K CB -0.396 32.182 32.500 0.131 0.000 0.728 637 K HN 0.536 nan 8.250 nan 0.000 0.447 638 N N 0.409 119.185 118.700 0.127 0.000 2.094 638 N HA -0.212 4.523 4.740 -0.008 0.000 0.191 638 N C 1.559 177.119 175.510 0.084 0.000 1.023 638 N CA 1.458 54.559 53.050 0.085 0.000 0.857 638 N CB -0.578 37.945 38.487 0.061 0.000 1.013 638 N HN 0.178 nan 8.380 nan 0.000 0.426 639 F N 1.604 121.579 119.950 0.042 0.000 2.063 639 F HA -0.295 4.227 4.527 -0.009 0.000 0.298 639 F C 2.182 178.018 175.800 0.060 0.000 1.109 639 F CA 1.749 59.774 58.000 0.042 0.000 1.212 639 F CB -0.736 38.310 39.000 0.076 0.000 0.973 639 F HN -0.003 nan 8.300 nan 0.000 0.480 640 T N -0.053 114.688 114.554 0.312 0.000 2.684 640 T HA -0.227 4.118 4.350 -0.008 0.000 0.267 640 T C 1.779 176.528 174.700 0.081 0.000 1.036 640 T CA 1.850 64.081 62.100 0.218 0.000 1.148 640 T CB -0.395 68.589 68.868 0.194 0.000 0.863 640 T HN 0.411 nan 8.240 nan 0.000 0.436 641 E N 0.281 120.516 120.200 0.058 0.000 2.072 641 E HA -0.073 4.272 4.350 -0.008 0.000 0.191 641 E C 2.262 178.855 176.600 -0.012 0.000 0.985 641 E CA 0.780 57.197 56.400 0.027 0.000 0.801 641 E CB -0.115 29.604 29.700 0.032 0.000 0.750 641 E HN 0.364 nan 8.360 nan 0.000 0.452 642 I N 1.099 121.627 120.570 -0.069 0.000 2.252 642 I HA -0.192 3.973 4.170 -0.008 0.000 0.245 642 I C 2.501 178.548 176.117 -0.118 0.000 1.102 642 I CA 0.976 62.207 61.300 -0.116 0.000 1.385 642 I CB -1.442 36.432 38.000 -0.209 0.000 1.064 642 I HN -0.011 nan 8.210 nan 0.000 0.414 643 A N 0.150 122.846 122.820 -0.207 0.000 1.930 643 A HA -0.199 4.117 4.320 -0.008 0.000 0.217 643 A C 2.619 180.242 177.584 0.065 0.000 1.175 643 A CA 1.962 53.933 52.037 -0.110 0.000 0.627 643 A CB -0.780 18.137 19.000 -0.138 0.000 0.815 643 A HN 0.417 nan 8.150 nan 0.000 0.443 644 S N -0.151 115.573 115.700 0.040 0.000 2.365 644 S HA -0.252 4.214 4.470 -0.008 0.000 0.221 644 S C 2.064 176.697 174.600 0.055 0.000 1.037 644 S CA 2.052 60.285 58.200 0.055 0.000 1.060 644 S CB -0.349 62.875 63.200 0.040 0.000 0.974 644 S HN 0.614 nan 8.310 nan 0.000 0.427 645 K N -0.332 120.094 120.400 0.044 0.000 2.063 645 K HA -0.109 4.206 4.320 -0.008 0.000 0.208 645 K C 1.915 178.542 176.600 0.045 0.000 1.048 645 K CA 1.662 57.970 56.287 0.036 0.000 0.928 645 K CB -0.448 32.069 32.500 0.028 0.000 0.713 645 K HN 0.499 nan 8.250 nan 0.000 0.442 646 F N 1.629 121.556 119.950 -0.039 0.000 2.095 646 F HA -0.257 4.266 4.527 -0.007 0.000 0.298 646 F C 2.578 178.382 175.800 0.006 0.000 1.104 646 F CA 1.668 59.648 58.000 -0.033 0.000 1.232 646 F CB -0.572 38.391 39.000 -0.061 0.000 0.987 646 F HN -0.075 nan 8.300 nan 0.000 0.475 647 S N -0.251 115.460 115.700 0.020 0.000 2.356 647 S HA -0.276 4.190 4.470 -0.008 0.000 0.223 647 S C 2.180 176.724 174.600 -0.094 0.000 1.032 647 S CA 1.606 59.784 58.200 -0.037 0.000 1.005 647 S CB -0.690 62.566 63.200 0.093 0.000 0.867 647 S HN 0.656 nan 8.310 nan 0.000 0.449 648 E N 0.628 120.802 120.200 -0.043 0.000 2.049 648 E HA -0.233 4.113 4.350 -0.008 0.000 0.198 648 E C 2.378 178.942 176.600 -0.059 0.000 1.007 648 E CA 1.145 57.527 56.400 -0.031 0.000 0.809 648 E CB -0.259 29.435 29.700 -0.009 0.000 0.749 648 E HN 0.420 nan 8.360 nan 0.000 0.450 649 R N 0.161 120.598 120.500 -0.105 0.000 2.193 649 R HA -0.147 4.189 4.340 -0.008 0.000 0.229 649 R C 2.258 178.488 176.300 -0.116 0.000 1.110 649 R CA 0.648 56.682 56.100 -0.110 0.000 0.988 649 R CB -0.113 30.104 30.300 -0.140 0.000 0.871 649 R HN 0.224 nan 8.270 nan 0.000 0.458 650 L N 0.810 121.894 121.223 -0.231 0.000 2.313 650 L HA -0.072 4.263 4.340 -0.008 0.000 0.214 650 L C 1.655 178.647 176.870 0.203 0.000 1.119 650 L CA 1.643 56.424 54.840 -0.100 0.000 0.809 650 L CB -0.067 41.807 42.059 -0.309 0.000 0.933 650 L HN 0.169 nan 8.230 nan 0.000 0.449 651 Q N -1.445 118.386 119.800 0.052 0.000 2.250 651 Q HA -0.065 4.271 4.340 -0.008 0.000 0.200 651 Q C 1.372 177.336 176.000 -0.059 0.000 0.941 651 Q CA 0.982 56.777 55.803 -0.013 0.000 0.872 651 Q CB 0.143 28.869 28.738 -0.020 0.000 0.965 651 Q HN 0.455 nan 8.270 nan 0.000 0.480 652 D N 0.856 121.260 120.400 0.008 0.000 2.269 652 D HA -0.058 4.577 4.640 -0.008 0.000 0.208 652 D C 0.434 176.741 176.300 0.011 0.000 0.963 652 D CA 0.353 54.352 54.000 -0.003 0.000 0.864 652 D CB 0.008 40.819 40.800 0.019 0.000 0.936 652 D HN 0.174 nan 8.370 nan 0.000 0.505 653 F N 2.421 122.336 119.950 -0.059 0.000 2.471 653 F HA 0.127 4.650 4.527 -0.007 0.000 0.353 653 F C 0.438 176.217 175.800 -0.035 0.000 1.113 653 F CA -1.424 56.548 58.000 -0.046 0.000 1.262 653 F CB 0.379 39.346 39.000 -0.055 0.000 1.146 653 F HN -0.256 nan 8.300 nan 0.000 0.578 654 D N 4.224 124.579 120.400 -0.075 0.000 2.348 654 D HA 0.006 4.641 4.640 -0.008 0.000 0.259 654 D C 0.141 176.342 176.300 -0.166 0.000 1.296 654 D CA -0.371 53.532 54.000 -0.161 0.000 0.931 654 D CB 1.004 41.782 40.800 -0.037 0.000 1.067 654 D HN 0.791 nan 8.370 nan 0.000 0.503 655 K N 1.253 121.403 120.400 -0.417 0.000 2.589 655 K HA -0.119 4.196 4.320 -0.008 0.000 0.195 655 K C 1.773 178.361 176.600 -0.021 0.000 1.040 655 K CA 0.646 56.795 56.287 -0.229 0.000 0.950 655 K CB -0.065 32.253 32.500 -0.304 0.000 0.781 655 K HN 0.497 nan 8.250 nan 0.000 0.486 656 S N 1.162 116.848 115.700 -0.023 0.000 2.357 656 S HA -0.147 4.319 4.470 -0.008 0.000 0.221 656 S C 1.079 175.702 174.600 0.038 0.000 1.031 656 S CA 0.397 58.599 58.200 0.003 0.000 0.982 656 S CB -0.410 62.786 63.200 -0.007 0.000 0.853 656 S HN 0.322 nan 8.310 nan 0.000 0.458 657 N N 3.844 122.585 118.700 0.068 0.000 2.399 657 N HA 0.114 4.849 4.740 -0.008 0.000 0.259 657 N C -1.471 174.096 175.510 0.094 0.000 1.160 657 N CA -1.588 51.506 53.050 0.074 0.000 0.946 657 N CB 1.166 39.700 38.487 0.079 0.000 1.156 657 N HN 0.131 nan 8.380 nan 0.000 0.489 658 P HA -0.194 nan 4.420 nan 0.000 0.212 658 P C 1.549 178.870 177.300 0.035 0.000 1.178 658 P CA 1.228 64.357 63.100 0.049 0.000 0.915 658 P CB 0.234 31.949 31.700 0.024 0.000 0.788 659 I N -0.314 120.267 120.570 0.018 0.000 2.143 659 I HA -0.255 3.910 4.170 -0.008 0.000 0.245 659 I C 2.773 178.880 176.117 -0.016 0.000 1.068 659 I CA 1.607 62.907 61.300 0.001 0.000 1.326 659 I CB -1.749 36.250 38.000 -0.001 0.000 1.028 659 I HN -0.180 nan 8.210 nan 0.000 0.412 660 V N 0.297 120.206 119.914 -0.007 0.000 2.261 660 V HA -0.275 3.841 4.120 -0.008 0.000 0.246 660 V C 2.425 178.414 176.094 -0.174 0.000 1.047 660 V CA 1.978 64.233 62.300 -0.074 0.000 1.015 660 V CB -0.775 31.040 31.823 -0.013 0.000 0.642 660 V HN 0.458 nan 8.190 nan 0.000 0.446 661 L N 0.651 121.848 121.223 -0.043 0.000 1.991 661 L HA -0.274 4.061 4.340 -0.008 0.000 0.221 661 L C 2.557 179.388 176.870 -0.066 0.000 1.079 661 L CA 2.798 57.634 54.840 -0.006 0.000 0.778 661 L CB -0.728 41.445 42.059 0.190 0.000 0.893 661 L HN 0.284 nan 8.230 nan 0.000 0.437 662 R N -0.463 120.023 120.500 -0.023 0.000 2.103 662 R HA -0.207 4.128 4.340 -0.008 0.000 0.234 662 R C 2.260 178.546 176.300 -0.023 0.000 1.132 662 R CA 2.690 58.780 56.100 -0.017 0.000 0.925 662 R CB -0.714 29.581 30.300 -0.008 0.000 0.842 662 R HN 0.504 nan 8.270 nan 0.000 0.430 663 M N -0.495 119.080 119.600 -0.042 0.000 2.113 663 M HA -0.311 4.164 4.480 -0.008 0.000 0.255 663 M C 2.295 178.578 176.300 -0.028 0.000 1.073 663 M CA 2.052 57.330 55.300 -0.037 0.000 1.091 663 M CB -0.368 32.197 32.600 -0.059 0.000 1.309 663 M HN 0.258 nan 8.290 nan 0.000 0.407 664 M N -0.190 119.345 119.600 -0.108 0.000 2.073 664 M HA -0.235 4.241 4.480 -0.008 0.000 0.258 664 M C 1.906 178.252 176.300 0.078 0.000 1.070 664 M CA 1.812 57.067 55.300 -0.074 0.000 1.103 664 M CB -1.599 30.737 32.600 -0.441 0.000 1.321 664 M HN 0.328 nan 8.290 nan 0.000 0.405 665 N N 0.890 119.600 118.700 0.018 0.000 2.094 665 N HA -0.175 4.560 4.740 -0.008 0.000 0.191 665 N C 1.248 176.798 175.510 0.067 0.000 1.023 665 N CA 1.471 54.543 53.050 0.037 0.000 0.857 665 N CB -0.448 38.035 38.487 -0.006 0.000 1.013 665 N HN 0.318 nan 8.380 nan 0.000 0.426 666 D N 0.912 121.370 120.400 0.095 0.000 2.178 666 D HA -0.106 4.529 4.640 -0.008 0.000 0.201 666 D C 1.970 178.423 176.300 0.254 0.000 0.980 666 D CA 0.643 54.776 54.000 0.221 0.000 0.842 666 D CB -0.160 40.790 40.800 0.249 0.000 0.948 666 D HN 0.431 nan 8.370 nan 0.000 0.472 667 Q N -0.198 119.674 119.800 0.120 0.000 2.061 667 Q HA -0.162 4.173 4.340 -0.008 0.000 0.204 667 Q C 2.119 178.113 176.000 -0.011 0.000 0.984 667 Q CA 0.745 56.547 55.803 -0.002 0.000 0.846 667 Q CB -0.140 28.542 28.738 -0.093 0.000 0.902 667 Q HN 0.221 nan 8.270 nan 0.000 0.421 668 L N 0.602 121.870 121.223 0.074 0.000 1.976 668 L HA -0.186 4.149 4.340 -0.008 0.000 0.209 668 L C 2.424 179.471 176.870 0.295 0.000 1.071 668 L CA 1.740 56.694 54.840 0.190 0.000 0.746 668 L CB -1.061 41.137 42.059 0.232 0.000 0.890 668 L HN 0.317 nan 8.230 nan 0.000 0.432 669 M N -1.676 118.029 119.600 0.176 0.000 2.088 669 M HA -0.326 4.149 4.480 -0.008 0.000 0.256 669 M C 2.187 178.508 176.300 0.035 0.000 1.071 669 M CA 2.154 57.518 55.300 0.106 0.000 1.097 669 M CB -0.312 32.201 32.600 -0.145 0.000 1.315 669 M HN 0.163 nan 8.290 nan 0.000 0.406 670 F N -0.085 119.909 119.950 0.074 0.000 2.604 670 F HA -0.074 4.449 4.527 -0.007 0.000 0.298 670 F C 2.058 177.843 175.800 -0.024 0.000 1.131 670 F CA 0.363 58.372 58.000 0.015 0.000 1.457 670 F CB -0.272 38.706 39.000 -0.038 0.000 1.095 670 F HN 0.226 nan 8.300 nan 0.000 0.574 671 L N 0.261 121.567 121.223 0.139 0.000 1.989 671 L HA -0.274 4.062 4.340 -0.008 0.000 0.211 671 L C 2.572 179.469 176.870 0.044 0.000 1.071 671 L CA 1.921 56.777 54.840 0.025 0.000 0.749 671 L CB -0.330 41.759 42.059 0.050 0.000 0.890 671 L HN 0.100 nan 8.230 nan 0.000 0.431 672 E N 0.390 120.676 120.200 0.145 0.000 2.114 672 E HA -0.315 4.030 4.350 -0.008 0.000 0.199 672 E C 2.220 178.871 176.600 0.085 0.000 1.008 672 E CA 1.722 58.242 56.400 0.200 0.000 0.810 672 E CB -0.166 29.667 29.700 0.220 0.000 0.739 672 E HN 0.293 nan 8.360 nan 0.000 0.456 673 R N -0.810 119.721 120.500 0.052 0.000 2.148 673 R HA 0.042 4.377 4.340 -0.008 0.000 0.227 673 R C 2.115 178.368 176.300 -0.078 0.000 1.103 673 R CA 0.959 57.065 56.100 0.010 0.000 0.983 673 R CB -0.286 30.091 30.300 0.129 0.000 0.874 673 R HN 0.248 nan 8.270 nan 0.000 0.451 674 A N -0.255 122.477 122.820 -0.146 0.000 2.076 674 A HA -0.148 4.168 4.320 -0.008 0.000 0.220 674 A C 1.378 178.670 177.584 -0.486 0.000 1.160 674 A CA 1.067 52.903 52.037 -0.335 0.000 0.653 674 A CB -0.502 18.219 19.000 -0.464 0.000 0.801 674 A HN 0.360 nan 8.150 nan 0.000 0.455 675 F N -0.949 118.818 119.950 -0.305 0.000 2.731 675 F HA 0.280 4.802 4.527 -0.007 0.000 0.304 675 F C -0.075 175.488 175.800 -0.394 0.000 1.133 675 F CA -0.267 57.508 58.000 -0.375 0.000 1.380 675 F CB 0.098 38.808 39.000 -0.484 0.000 1.079 675 F HN -0.029 nan 8.300 nan 0.000 0.550 676 I N 0.374 120.831 120.570 -0.189 0.000 2.304 676 I HA 0.076 4.241 4.170 -0.008 0.000 0.291 676 I C -0.224 175.851 176.117 -0.070 0.000 1.018 676 I CA -0.527 60.689 61.300 -0.141 0.000 1.260 676 I CB 0.670 38.597 38.000 -0.122 0.000 1.390 676 I HN -0.152 nan 8.210 nan 0.000 0.475 677 D N 8.691 129.070 120.400 -0.033 0.000 2.411 677 D HA 0.290 4.925 4.640 -0.008 0.000 0.225 677 D C -1.683 174.604 176.300 -0.022 0.000 1.156 677 D CA -1.914 52.079 54.000 -0.011 0.000 0.874 677 D CB 1.317 42.121 40.800 0.007 0.000 1.034 677 D HN 0.204 nan 8.370 nan 0.000 0.502 678 P HA -0.196 nan 4.420 nan 0.000 0.219 678 P C 0.993 178.261 177.300 -0.053 0.000 1.151 678 P CA 1.136 64.215 63.100 -0.034 0.000 0.850 678 P CB 0.147 31.831 31.700 -0.027 0.000 0.784 679 L N -2.973 118.219 121.223 -0.052 0.000 2.599 679 L HA 0.178 4.513 4.340 -0.008 0.000 0.230 679 L C 1.460 178.279 176.870 -0.085 0.000 1.141 679 L CA 0.245 55.042 54.840 -0.071 0.000 0.877 679 L CB -1.346 40.677 42.059 -0.059 0.000 1.009 679 L HN 0.078 nan 8.230 nan 0.000 0.447 680 G N 0.489 109.249 108.800 -0.065 0.000 2.740 680 G HA2 -0.280 3.675 3.960 -0.008 0.000 0.250 680 G HA3 -0.280 3.675 3.960 -0.008 0.000 0.250 680 G C -0.236 174.641 174.900 -0.038 0.000 1.358 680 G CA -0.453 44.614 45.100 -0.055 0.000 0.897 680 G HN 0.072 nan 8.290 nan 0.000 0.567 681 L N 0.891 122.104 121.223 -0.016 0.000 2.468 681 L HA 0.371 4.707 4.340 -0.008 0.000 0.254 681 L C -1.713 175.132 176.870 -0.041 0.000 1.171 681 L CA -1.745 53.090 54.840 -0.008 0.000 0.809 681 L CB 0.833 42.911 42.059 0.031 0.000 1.155 681 L HN 0.301 nan 8.230 nan 0.000 0.473 682 P HA -0.017 nan 4.420 nan 0.000 0.262 682 P C -0.745 176.518 177.300 -0.063 0.000 1.199 682 P CA 0.438 63.511 63.100 -0.046 0.000 0.763 682 P CB 0.167 31.848 31.700 -0.031 0.000 0.790 683 D N 2.043 122.396 120.400 -0.079 0.000 2.837 683 D HA -0.212 4.424 4.640 -0.008 0.000 0.230 683 D C -0.364 175.865 176.300 -0.119 0.000 1.152 683 D CA 1.236 55.181 54.000 -0.092 0.000 0.736 683 D CB -0.946 39.812 40.800 -0.069 0.000 1.084 683 D HN 0.558 nan 8.370 nan 0.000 0.429 684 R N -1.073 119.338 120.500 -0.149 0.000 2.867 684 R HA 0.253 4.589 4.340 -0.008 0.000 0.288 684 R C -2.387 173.755 176.300 -0.263 0.000 1.360 684 R CA -1.066 54.913 56.100 -0.200 0.000 1.042 684 R CB 1.690 31.921 30.300 -0.114 0.000 1.287 684 R HN -0.154 nan 8.270 nan 0.000 0.404 685 P HA 0.118 nan 4.420 nan 0.000 0.257 685 P C 0.050 176.974 177.300 -0.626 0.000 1.241 685 P CA 0.308 63.070 63.100 -0.563 0.000 0.816 685 P CB 0.317 31.582 31.700 -0.725 0.000 1.150 686 F N -2.100 117.716 119.950 -0.223 0.000 2.693 686 F HA 0.205 4.726 4.527 -0.010 0.000 0.303 686 F C 0.594 176.342 175.800 -0.087 0.000 1.097 686 F CA -0.243 57.623 58.000 -0.223 0.000 1.330 686 F CB -0.052 38.757 39.000 -0.318 0.000 1.067 686 F HN -0.130 nan 8.300 nan 0.000 0.565 687 Y N 0.888 121.185 120.300 -0.004 0.000 2.402 687 Y HA 0.385 4.930 4.550 -0.008 0.000 0.332 687 Y C 0.740 176.621 175.900 -0.031 0.000 0.960 687 Y CA -0.902 57.191 58.100 -0.012 0.000 1.228 687 Y CB 0.721 39.161 38.460 -0.033 0.000 1.120 687 Y HN -0.048 nan 8.280 nan 0.000 0.491 688 R N 0.764 121.353 120.500 0.148 0.000 2.565 688 R HA 0.064 4.400 4.340 -0.008 0.000 0.347 688 R C -0.386 175.943 176.300 0.048 0.000 1.010 688 R CA -0.232 55.903 56.100 0.058 0.000 1.126 688 R CB 0.442 30.752 30.300 0.016 0.000 1.331 688 R HN 0.596 nan 8.270 nan 0.000 0.552 689 H N 1.227 120.261 119.070 -0.061 0.000 2.908 689 H HA 0.110 4.662 4.556 -0.007 0.000 0.269 689 H C 1.351 176.610 175.328 -0.114 0.000 1.303 689 H CA -0.591 55.390 56.048 -0.112 0.000 1.341 689 H CB 0.624 30.245 29.762 -0.235 0.000 1.519 689 H HN -0.136 nan 8.280 nan 0.000 0.505 690 V N 4.954 124.962 119.914 0.157 0.000 2.353 690 V HA -0.401 3.714 4.120 -0.008 0.000 0.260 690 V C 1.943 178.003 176.094 -0.057 0.000 1.091 690 V CA 1.579 63.934 62.300 0.090 0.000 1.088 690 V CB -0.568 31.333 31.823 0.130 0.000 0.672 690 V HN 0.774 nan 8.190 nan 0.000 0.455 691 I N -2.095 118.393 120.570 -0.138 0.000 2.368 691 I HA 0.060 4.225 4.170 -0.008 0.000 0.238 691 I C 0.861 176.420 176.117 -0.929 0.000 1.076 691 I CA 0.849 61.672 61.300 -0.796 0.000 1.397 691 I CB -0.649 36.730 38.000 -1.035 0.000 1.141 691 I HN 0.265 nan 8.210 nan 0.000 0.430 692 Y N 0.826 120.637 120.300 -0.814 0.000 2.328 692 Y HA 0.641 5.186 4.550 -0.008 0.000 0.337 692 Y C 0.117 175.761 175.900 -0.427 0.000 1.008 692 Y CA -0.681 57.049 58.100 -0.617 0.000 1.129 692 Y CB 1.351 39.516 38.460 -0.493 0.000 1.185 692 Y HN 0.214 nan 8.280 nan 0.000 0.476 693 A N 4.015 126.727 122.820 -0.180 0.000 2.594 693 A HA 0.467 4.782 4.320 -0.008 0.000 0.301 693 A C -3.274 174.116 177.584 -0.323 0.000 1.022 693 A CA -1.561 50.312 52.037 -0.274 0.000 0.738 693 A CB 0.456 19.330 19.000 -0.210 0.000 1.263 693 A HN 0.426 nan 8.150 nan 0.000 0.409 694 P HA 0.117 nan 4.420 nan 0.000 0.261 694 P C 0.211 177.378 177.300 -0.222 0.000 1.173 694 P CA 0.629 63.508 63.100 -0.368 0.000 0.760 694 P CB 0.624 32.050 31.700 -0.457 0.000 0.783 695 S N 2.661 118.238 115.700 -0.206 0.000 2.549 695 S HA 0.040 4.505 4.470 -0.008 0.000 0.279 695 S C 1.753 176.281 174.600 -0.119 0.000 1.321 695 S CA -0.052 58.056 58.200 -0.154 0.000 1.054 695 S CB 0.122 63.177 63.200 -0.242 0.000 0.899 695 S HN 0.442 nan 8.310 nan 0.000 0.497 696 S N 3.421 119.050 115.700 -0.118 0.000 2.380 696 S HA -0.165 4.300 4.470 -0.008 0.000 0.229 696 S C 1.418 175.816 174.600 -0.336 0.000 1.043 696 S CA 1.603 59.658 58.200 -0.241 0.000 1.038 696 S CB -0.569 62.413 63.200 -0.362 0.000 0.872 696 S HN 0.873 nan 8.310 nan 0.000 0.456 697 H N 1.354 120.389 119.070 -0.059 0.000 2.366 697 H HA 0.171 4.722 4.556 -0.007 0.000 0.330 697 H C 0.695 175.932 175.328 -0.151 0.000 1.142 697 H CA 0.809 56.790 56.048 -0.112 0.000 1.655 697 H CB -1.096 28.483 29.762 -0.306 0.000 1.519 697 H HN 0.494 nan 8.280 nan 0.000 0.609 698 N N 2.890 121.506 118.700 -0.139 0.000 2.439 698 N HA 0.005 4.740 4.740 -0.008 0.000 0.243 698 N C 0.277 175.715 175.510 -0.121 0.000 1.088 698 N CA -0.043 52.942 53.050 -0.108 0.000 0.940 698 N CB 1.149 39.550 38.487 -0.144 0.000 1.180 698 N HN 0.288 nan 8.380 nan 0.000 0.505 699 K N 1.182 121.544 120.400 -0.063 0.000 2.148 699 K HA -0.173 4.142 4.320 -0.008 0.000 0.204 699 K C 0.769 177.346 176.600 -0.038 0.000 1.050 699 K CA 1.099 57.318 56.287 -0.113 0.000 0.942 699 K CB -0.107 32.276 32.500 -0.194 0.000 0.724 699 K HN 0.493 nan 8.250 nan 0.000 0.446 700 Y N 0.819 121.097 120.300 -0.037 0.000 2.230 700 Y HA 0.122 4.667 4.550 -0.008 0.000 0.294 700 Y C 1.669 177.526 175.900 -0.071 0.000 1.120 700 Y CA 0.680 58.792 58.100 0.019 0.000 1.129 700 Y CB -0.066 38.455 38.460 0.102 0.000 1.040 700 Y HN -0.087 nan 8.280 nan 0.000 0.519 701 A N 0.721 123.459 122.820 -0.137 0.000 2.412 701 A HA 0.405 4.720 4.320 -0.008 0.000 0.253 701 A C 1.073 178.487 177.584 -0.283 0.000 1.334 701 A CA 0.384 52.281 52.037 -0.234 0.000 0.929 701 A CB -1.558 17.392 19.000 -0.084 0.000 0.983 701 A HN 0.425 nan 8.150 nan 0.000 0.508 702 G N -1.018 107.567 108.800 -0.358 0.000 2.547 702 G HA2 0.522 4.477 3.960 -0.008 0.000 0.291 702 G HA3 0.522 4.477 3.960 -0.008 0.000 0.291 702 G C -0.073 174.512 174.900 -0.524 0.000 1.211 702 G CA -0.360 44.396 45.100 -0.572 0.000 0.950 702 G HN 0.297 nan 8.290 nan 0.000 0.504 703 E N -0.837 118.948 120.200 -0.691 0.000 2.586 703 E HA 0.477 4.822 4.350 -0.008 0.000 0.232 703 E C -0.107 176.297 176.600 -0.327 0.000 0.854 703 E CA -0.636 55.535 56.400 -0.381 0.000 0.938 703 E CB 1.118 30.684 29.700 -0.223 0.000 1.518 703 E HN 0.347 nan 8.360 nan 0.000 0.400 704 S N -0.776 114.751 115.700 -0.287 0.000 2.730 704 S HA 0.421 4.887 4.470 -0.008 0.000 0.284 704 S C -0.283 174.206 174.600 -0.185 0.000 1.153 704 S CA -0.592 57.312 58.200 -0.494 0.000 0.995 704 S CB 0.169 62.701 63.200 -1.114 0.000 1.058 704 S HN 0.535 nan 8.310 nan 0.000 0.552 705 F N -0.666 119.130 119.950 -0.256 0.000 3.027 705 F HA -0.142 4.380 4.527 -0.009 0.000 0.276 705 F C -2.000 173.780 175.800 -0.033 0.000 0.967 705 F CA -0.453 57.478 58.000 -0.115 0.000 0.929 705 F CB -1.620 37.352 39.000 -0.047 0.000 0.873 705 F HN 0.445 nan 8.300 nan 0.000 0.787 706 P HA -0.267 nan 4.420 nan 0.000 0.218 706 P C 1.921 179.299 177.300 0.131 0.000 1.154 706 P CA 2.193 65.327 63.100 0.058 0.000 0.872 706 P CB -0.037 31.636 31.700 -0.045 0.000 0.790 707 G N -0.301 108.562 108.800 0.105 0.000 2.553 707 G HA2 -0.296 3.659 3.960 -0.008 0.000 0.218 707 G HA3 -0.296 3.659 3.960 -0.008 0.000 0.218 707 G C 1.424 176.382 174.900 0.097 0.000 1.195 707 G CA 1.250 46.400 45.100 0.084 0.000 0.779 707 G HN 0.225 nan 8.290 nan 0.000 0.577 708 I N -0.692 119.951 120.570 0.121 0.000 2.142 708 I HA -0.128 4.038 4.170 -0.008 0.000 0.240 708 I C 2.386 178.583 176.117 0.134 0.000 1.078 708 I CA 1.324 62.682 61.300 0.098 0.000 1.343 708 I CB -0.577 37.480 38.000 0.094 0.000 1.046 708 I HN 0.252 nan 8.210 nan 0.000 0.405 709 Y N 2.067 122.425 120.300 0.097 0.000 2.014 709 Y HA -0.409 4.136 4.550 -0.008 0.000 0.272 709 Y C 2.399 178.372 175.900 0.122 0.000 1.164 709 Y CA 2.266 60.425 58.100 0.098 0.000 1.114 709 Y CB -0.489 38.002 38.460 0.053 0.000 0.961 709 Y HN 0.247 nan 8.280 nan 0.000 0.489 710 D N 0.087 120.659 120.400 0.287 0.000 2.158 710 D HA -0.243 4.392 4.640 -0.008 0.000 0.197 710 D C 2.268 178.670 176.300 0.169 0.000 0.995 710 D CA 1.471 55.659 54.000 0.313 0.000 0.846 710 D CB -0.762 40.161 40.800 0.206 0.000 0.941 710 D HN 0.528 nan 8.370 nan 0.000 0.456 711 A N 0.911 123.761 122.820 0.050 0.000 1.883 711 A HA -0.147 4.168 4.320 -0.008 0.000 0.217 711 A C 2.417 179.887 177.584 -0.189 0.000 1.186 711 A CA 1.106 53.106 52.037 -0.062 0.000 0.624 711 A CB -0.794 18.159 19.000 -0.077 0.000 0.822 711 A HN 0.218 nan 8.150 nan 0.000 0.444 712 L N -2.118 118.988 121.223 -0.195 0.000 2.240 712 L HA 0.081 4.416 4.340 -0.008 0.000 0.211 712 L C 0.930 177.656 176.870 -0.241 0.000 1.106 712 L CA -0.355 54.315 54.840 -0.284 0.000 0.793 712 L CB -0.346 41.611 42.059 -0.170 0.000 0.927 712 L HN 0.385 nan 8.230 nan 0.000 0.446 713 F N 2.682 122.374 119.950 -0.430 0.000 2.549 713 F HA -0.157 4.365 4.527 -0.008 0.000 0.400 713 F C 1.313 176.901 175.800 -0.353 0.000 1.011 713 F CA 0.270 57.995 58.000 -0.457 0.000 1.148 713 F CB -0.405 38.312 39.000 -0.471 0.000 0.993 713 F HN 0.172 nan 8.300 nan 0.000 0.540 714 D N 4.864 124.798 120.400 -0.776 0.000 2.811 714 D HA -0.309 4.326 4.640 -0.008 0.000 0.231 714 D C 1.372 177.444 176.300 -0.380 0.000 1.157 714 D CA 0.997 54.605 54.000 -0.654 0.000 0.716 714 D CB -1.034 39.209 40.800 -0.929 0.000 1.077 714 D HN 0.802 nan 8.370 nan 0.000 0.428 715 I N 0.089 120.468 120.570 -0.318 0.000 2.454 715 I HA -0.237 3.928 4.170 -0.008 0.000 0.254 715 I C 2.129 178.105 176.117 -0.235 0.000 1.156 715 I CA 1.209 62.309 61.300 -0.333 0.000 1.433 715 I CB 0.075 37.763 38.000 -0.519 0.000 1.082 715 I HN 0.138 nan 8.210 nan 0.000 0.432 716 E N 0.489 120.585 120.200 -0.173 0.000 2.055 716 E HA -0.295 4.050 4.350 -0.008 0.000 0.209 716 E C 1.686 178.240 176.600 -0.077 0.000 1.036 716 E CA 2.006 58.353 56.400 -0.087 0.000 0.849 716 E CB -0.331 29.372 29.700 0.004 0.000 0.767 716 E HN 0.575 nan 8.360 nan 0.000 0.461 717 S N 0.724 116.365 115.700 -0.098 0.000 2.859 717 S HA 0.107 4.572 4.470 -0.008 0.000 0.245 717 S C 0.229 174.779 174.600 -0.084 0.000 1.008 717 S CA -0.322 57.832 58.200 -0.077 0.000 1.089 717 S CB 0.042 63.194 63.200 -0.080 0.000 0.798 717 S HN -0.064 nan 8.310 nan 0.000 0.477 718 K N 1.561 121.902 120.400 -0.098 0.000 2.316 718 K HA 0.382 4.697 4.320 -0.008 0.000 0.289 718 K C 0.976 177.546 176.600 -0.050 0.000 1.070 718 K CA -0.315 55.916 56.287 -0.094 0.000 0.928 718 K CB 0.476 32.889 32.500 -0.145 0.000 1.039 718 K HN 0.045 nan 8.250 nan 0.000 0.480 719 V N 2.080 121.973 119.914 -0.035 0.000 2.250 719 V HA -0.234 3.881 4.120 -0.008 0.000 0.250 719 V C 0.918 177.013 176.094 0.002 0.000 1.060 719 V CA 2.008 64.300 62.300 -0.013 0.000 1.030 719 V CB -0.423 31.394 31.823 -0.009 0.000 0.643 719 V HN 0.823 nan 8.190 nan 0.000 0.445 720 D N -0.132 120.267 120.400 -0.002 0.000 2.518 720 D HA 0.203 4.838 4.640 -0.008 0.000 0.230 720 D C -1.689 174.624 176.300 0.021 0.000 1.138 720 D CA -2.242 51.770 54.000 0.019 0.000 0.964 720 D CB 1.347 42.157 40.800 0.017 0.000 1.011 720 D HN 0.156 nan 8.370 nan 0.000 0.517 721 P HA -0.196 nan 4.420 nan 0.000 0.218 721 P C 1.343 178.621 177.300 -0.036 0.000 1.147 721 P CA 0.934 64.056 63.100 0.038 0.000 0.827 721 P CB 0.429 32.212 31.700 0.139 0.000 0.778 722 S N -1.051 114.728 115.700 0.132 0.000 2.336 722 S HA -0.084 4.382 4.470 -0.008 0.000 0.216 722 S C 1.796 176.460 174.600 0.105 0.000 1.032 722 S CA 1.014 59.358 58.200 0.241 0.000 0.973 722 S CB -0.477 62.902 63.200 0.300 0.000 0.888 722 S HN 0.032 nan 8.310 nan 0.000 0.455 723 K N 1.143 121.581 120.400 0.064 0.000 2.103 723 K HA -0.050 4.265 4.320 -0.008 0.000 0.207 723 K C 2.347 178.928 176.600 -0.031 0.000 1.048 723 K CA 1.024 57.327 56.287 0.027 0.000 0.930 723 K CB -0.473 32.035 32.500 0.013 0.000 0.716 723 K HN 0.438 nan 8.250 nan 0.000 0.444 724 A N 1.061 123.829 122.820 -0.087 0.000 1.896 724 A HA -0.220 4.095 4.320 -0.008 0.000 0.220 724 A C 1.759 179.108 177.584 -0.391 0.000 1.206 724 A CA 1.908 53.801 52.037 -0.240 0.000 0.647 724 A CB -1.053 17.781 19.000 -0.277 0.000 0.828 724 A HN 0.500 nan 8.150 nan 0.000 0.455 725 W N -0.654 120.506 121.300 -0.232 0.000 2.770 725 W HA 0.248 4.903 4.660 -0.008 0.000 0.256 725 W C 2.430 178.911 176.519 -0.063 0.000 1.291 725 W CA 0.423 57.662 57.345 -0.176 0.000 1.396 725 W CB -0.530 28.744 29.460 -0.310 0.000 1.114 725 W HN 0.392 nan 8.180 nan 0.000 0.637 726 G N 0.465 109.329 108.800 0.105 0.000 2.446 726 G HA2 -0.336 3.620 3.960 -0.008 0.000 0.217 726 G HA3 -0.336 3.620 3.960 -0.008 0.000 0.217 726 G C 1.338 176.265 174.900 0.044 0.000 1.168 726 G CA 1.536 46.691 45.100 0.093 0.000 0.771 726 G HN 0.217 nan 8.290 nan 0.000 0.551 727 E N 0.321 120.512 120.200 -0.016 0.000 2.038 727 E HA -0.113 4.232 4.350 -0.008 0.000 0.195 727 E C 2.702 179.278 176.600 -0.039 0.000 1.000 727 E CA 1.222 57.601 56.400 -0.035 0.000 0.803 727 E CB -0.632 29.023 29.700 -0.075 0.000 0.750 727 E HN 0.190 nan 8.360 nan 0.000 0.448 728 V N 0.779 120.634 119.914 -0.099 0.000 2.255 728 V HA -0.271 3.844 4.120 -0.008 0.000 0.247 728 V C 2.454 178.561 176.094 0.021 0.000 1.051 728 V CA 2.236 64.494 62.300 -0.071 0.000 1.018 728 V CB -0.557 31.175 31.823 -0.151 0.000 0.641 728 V HN 0.290 nan 8.190 nan 0.000 0.445 729 K N -0.512 119.949 120.400 0.101 0.000 2.286 729 K HA -0.252 4.064 4.320 -0.008 0.000 0.203 729 K C 2.292 178.933 176.600 0.069 0.000 1.045 729 K CA 1.600 57.950 56.287 0.106 0.000 0.935 729 K CB -0.099 32.493 32.500 0.153 0.000 0.737 729 K HN 0.399 nan 8.250 nan 0.000 0.460 730 R N -0.078 120.464 120.500 0.070 0.000 2.057 730 R HA -0.080 4.255 4.340 -0.008 0.000 0.224 730 R C 2.114 178.480 176.300 0.110 0.000 1.136 730 R CA 1.165 57.338 56.100 0.122 0.000 0.968 730 R CB -0.097 30.257 30.300 0.090 0.000 0.863 730 R HN 0.026 nan 8.270 nan 0.000 0.433 731 Q N 0.744 120.561 119.800 0.028 0.000 2.170 731 Q HA -0.135 4.200 4.340 -0.008 0.000 0.203 731 Q C 1.988 177.958 176.000 -0.050 0.000 0.976 731 Q CA 1.969 57.769 55.803 -0.005 0.000 0.858 731 Q CB -0.313 28.424 28.738 -0.002 0.000 0.907 731 Q HN 0.580 nan 8.270 nan 0.000 0.433 732 I N -1.792 118.713 120.570 -0.109 0.000 2.208 732 I HA -0.273 3.893 4.170 -0.008 0.000 0.245 732 I C 2.073 178.136 176.117 -0.090 0.000 1.097 732 I CA 1.628 62.770 61.300 -0.264 0.000 1.363 732 I CB -1.111 36.609 38.000 -0.468 0.000 1.051 732 I HN 0.155 nan 8.210 nan 0.000 0.413 733 Y N 2.357 122.591 120.300 -0.109 0.000 2.070 733 Y HA -0.194 4.351 4.550 -0.008 0.000 0.280 733 Y C 2.403 178.319 175.900 0.028 0.000 1.148 733 Y CA 2.110 60.186 58.100 -0.039 0.000 1.125 733 Y CB -1.138 37.304 38.460 -0.031 0.000 0.975 733 Y HN 0.069 nan 8.280 nan 0.000 0.492 734 V N 1.404 121.136 119.914 -0.304 0.000 2.255 734 V HA -0.328 3.788 4.120 -0.008 0.000 0.247 734 V C 2.866 178.935 176.094 -0.041 0.000 1.051 734 V CA 2.214 64.330 62.300 -0.306 0.000 1.018 734 V CB -2.033 29.677 31.823 -0.188 0.000 0.641 734 V HN 0.573 nan 8.190 nan 0.000 0.445 735 A N 0.342 123.156 122.820 -0.010 0.000 1.903 735 A HA -0.252 4.063 4.320 -0.008 0.000 0.219 735 A C 2.458 180.073 177.584 0.053 0.000 1.191 735 A CA 2.931 55.011 52.037 0.072 0.000 0.638 735 A CB -1.066 17.902 19.000 -0.053 0.000 0.823 735 A HN 0.662 nan 8.150 nan 0.000 0.451 736 A N -1.072 121.741 122.820 -0.013 0.000 1.851 736 A HA -0.045 4.271 4.320 -0.008 0.000 0.216 736 A C 2.067 179.693 177.584 0.070 0.000 1.195 736 A CA 1.822 53.873 52.037 0.023 0.000 0.622 736 A CB -0.919 18.109 19.000 0.047 0.000 0.831 736 A HN 0.860 nan 8.150 nan 0.000 0.444 737 F N 1.744 121.665 119.950 -0.049 0.000 2.043 737 F HA -0.248 4.273 4.527 -0.009 0.000 0.297 737 F C 2.432 178.198 175.800 -0.055 0.000 1.118 737 F CA 2.593 60.554 58.000 -0.064 0.000 1.202 737 F CB -1.109 37.770 39.000 -0.203 0.000 0.965 737 F HN 0.250 nan 8.300 nan 0.000 0.482 738 T N 0.941 115.332 114.554 -0.272 0.000 2.580 738 T HA -0.242 4.104 4.350 -0.008 0.000 0.265 738 T C 2.145 176.674 174.700 -0.284 0.000 1.063 738 T CA 2.421 64.308 62.100 -0.355 0.000 1.170 738 T CB -1.096 67.741 68.868 -0.052 0.000 0.863 738 T HN 0.201 nan 8.240 nan 0.000 0.418 739 V N 1.851 121.743 119.914 -0.036 0.000 2.278 739 V HA -0.282 3.833 4.120 -0.008 0.000 0.251 739 V C 2.673 178.766 176.094 -0.002 0.000 1.062 739 V CA 2.267 64.602 62.300 0.059 0.000 1.038 739 V CB -0.928 30.985 31.823 0.150 0.000 0.646 739 V HN 0.386 nan 8.190 nan 0.000 0.447 740 Q N 0.719 120.479 119.800 -0.067 0.000 2.002 740 Q HA -0.174 4.161 4.340 -0.008 0.000 0.204 740 Q C 2.186 178.069 176.000 -0.194 0.000 0.988 740 Q CA 2.564 58.324 55.803 -0.072 0.000 0.843 740 Q CB -0.849 27.858 28.738 -0.051 0.000 0.908 740 Q HN 0.574 nan 8.270 nan 0.000 0.420 741 A N 0.451 123.014 122.820 -0.429 0.000 1.908 741 A HA -0.097 4.218 4.320 -0.008 0.000 0.218 741 A C 2.336 179.690 177.584 -0.383 0.000 1.181 741 A CA 2.218 53.972 52.037 -0.472 0.000 0.627 741 A CB -1.341 17.171 19.000 -0.813 0.000 0.818 741 A HN 0.579 nan 8.150 nan 0.000 0.445 742 A N -0.271 122.276 122.820 -0.456 0.000 1.940 742 A HA 0.096 4.411 4.320 -0.008 0.000 0.219 742 A C 2.474 179.890 177.584 -0.279 0.000 1.176 742 A CA 2.303 53.990 52.037 -0.583 0.000 0.631 742 A CB -0.933 17.339 19.000 -1.213 0.000 0.814 742 A HN 1.047 nan 8.150 nan 0.000 0.446 743 A N -0.161 122.600 122.820 -0.099 0.000 1.840 743 A HA -0.125 4.190 4.320 -0.008 0.000 0.214 743 A C 1.805 179.234 177.584 -0.259 0.000 1.198 743 A CA 1.387 53.295 52.037 -0.216 0.000 0.608 743 A CB -0.672 18.280 19.000 -0.081 0.000 0.839 743 A HN 0.588 nan 8.150 nan 0.000 0.443 744 E N -0.345 119.742 120.200 -0.187 0.000 2.301 744 E HA -0.198 4.148 4.350 -0.008 0.000 0.202 744 E C 1.898 178.392 176.600 -0.178 0.000 1.017 744 E CA 1.535 57.840 56.400 -0.158 0.000 0.831 744 E CB -0.523 29.099 29.700 -0.129 0.000 0.742 744 E HN 0.665 nan 8.360 nan 0.000 0.491 745 T N 1.570 115.991 114.554 -0.221 0.000 2.652 745 T HA -0.155 4.190 4.350 -0.008 0.000 0.267 745 T C 1.858 176.410 174.700 -0.246 0.000 1.039 745 T CA 1.010 62.976 62.100 -0.224 0.000 1.153 745 T CB -0.211 68.509 68.868 -0.246 0.000 0.863 745 T HN 0.165 nan 8.240 nan 0.000 0.428 746 L N 1.092 122.115 121.223 -0.334 0.000 2.551 746 L HA 0.091 4.426 4.340 -0.008 0.000 0.228 746 L C 1.517 178.286 176.870 -0.169 0.000 1.153 746 L CA -0.126 54.454 54.840 -0.434 0.000 0.851 746 L CB -0.421 41.295 42.059 -0.573 0.000 0.959 746 L HN 0.138 nan 8.230 nan 0.000 0.451 747 S N 0.299 115.916 115.700 -0.137 0.000 2.585 747 S HA 0.038 4.504 4.470 -0.008 0.000 0.273 747 S C 0.338 174.925 174.600 -0.023 0.000 1.339 747 S CA -0.603 57.560 58.200 -0.061 0.000 1.028 747 S CB 0.409 63.563 63.200 -0.076 0.000 0.906 747 S HN 0.209 nan 8.310 nan 0.000 0.528 748 E N 1.930 122.132 120.200 0.004 0.000 2.694 748 E HA -0.015 4.330 4.350 -0.008 0.000 0.250 748 E C 0.219 176.810 176.600 -0.016 0.000 0.963 748 E CA -0.037 56.367 56.400 0.007 0.000 0.949 748 E CB 0.094 29.796 29.700 0.003 0.000 0.911 748 E HN 0.522 nan 8.360 nan 0.000 0.500 749 V N 1.379 121.282 119.914 -0.017 0.000 2.763 749 V HA 0.390 4.505 4.120 -0.008 0.000 0.306 749 V C 0.690 176.766 176.094 -0.030 0.000 1.059 749 V CA -0.205 62.074 62.300 -0.035 0.000 1.138 749 V CB 0.226 32.026 31.823 -0.039 0.000 0.940 749 V HN 0.985 nan 8.190 nan 0.000 0.489 750 A N 0.000 122.799 122.820 -0.035 0.000 2.254 750 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 750 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 750 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486