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_C 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 0.000 175.324 175.328 -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 -0.192 118.601 118.700 0.156 0.000 4.919 57 N HA 0.011 4.752 4.740 0.002 0.000 0.180 57 N C 0.741 176.273 175.510 0.035 0.000 1.062 57 N CA 0.651 53.828 53.050 0.212 0.000 1.028 57 N CB -0.072 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 2.775 122.420 119.600 0.074 0.000 2.240 58 M HA -0.293 4.188 4.480 0.002 0.000 0.250 58 M C 1.033 177.152 176.300 -0.302 0.000 1.075 58 M CA 2.082 57.140 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 0.305 120.633 120.400 -0.120 0.000 1.965 59 K HA -0.119 4.202 4.320 0.002 0.000 0.218 59 K C 2.155 178.648 176.600 -0.178 0.000 1.048 59 K CA 1.841 58.058 56.287 -0.118 0.000 0.960 59 K CB -1.601 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 1.609 124.324 122.820 -0.175 0.000 1.957 60 A HA -0.281 4.040 4.320 0.002 0.000 0.224 60 A C 2.156 179.599 177.584 -0.236 0.000 1.287 60 A CA 2.421 54.320 52.037 -0.229 0.000 0.682 60 A CB -1.106 17.735 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 4.386 4.527 0.001 0.000 0.296 61 F C 2.032 177.581 175.800 -0.418 0.000 1.122 61 F CA 1.964 59.661 58.000 -0.504 0.000 1.201 61 F CB -0.615 37.908 39.000 -0.795 0.000 0.978 61 F HN 0.181 nan 8.300 nan 0.000 0.472 62 L N 0.150 121.025 121.223 -0.580 0.000 1.989 62 L HA -0.273 4.068 4.340 0.002 0.000 0.211 62 L C 2.160 178.761 176.870 -0.448 0.000 1.071 62 L CA 2.015 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 -0.364 119.848 120.400 -0.312 0.000 2.228 63 D HA -0.227 4.414 4.640 0.002 0.000 0.203 63 D C 2.028 178.170 176.300 -0.263 0.000 0.988 63 D CA 0.983 54.839 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 4.379 4.350 0.002 0.000 0.196 64 E C -0.005 176.393 176.600 -0.337 0.000 1.028 64 E CA 0.051 56.265 56.400 -0.310 0.000 0.864 64 E CB -0.023 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 2.593 123.571 121.223 -0.408 0.000 2.363 65 L HA 0.156 4.497 4.340 0.002 0.000 0.286 65 L C 0.059 176.794 176.870 -0.225 0.000 1.106 65 L CA -0.215 54.418 54.840 -0.345 0.000 0.859 65 L CB 0.279 42.096 42.059 -0.404 0.000 1.223 65 L HN -0.143 nan 8.230 nan 0.000 0.446 66 K N 2.147 122.430 120.400 -0.195 0.000 2.110 66 K HA 0.410 4.731 4.320 0.002 0.000 0.263 66 K C 0.698 177.203 176.600 -0.158 0.000 0.975 66 K CA -0.340 55.845 56.287 -0.169 0.000 0.895 66 K CB 1.956 34.348 32.500 -0.181 0.000 1.060 66 K HN 0.494 nan 8.250 nan 0.000 0.448 67 A N 2.086 124.826 122.820 -0.133 0.000 1.929 67 A HA -0.099 4.222 4.320 0.002 0.000 0.216 67 A C 1.561 178.985 177.584 -0.266 0.000 1.176 67 A CA 0.982 52.946 52.037 -0.121 0.000 0.628 67 A CB -0.166 18.813 19.000 -0.036 0.000 0.816 67 A HN 0.714 nan 8.150 nan 0.000 0.444 68 E N 0.396 120.441 120.200 -0.257 0.000 2.331 68 E HA -0.169 4.182 4.350 0.002 0.000 0.199 68 E C 1.296 177.637 176.600 -0.431 0.000 1.008 68 E CA 1.153 57.363 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 0.404 118.823 118.700 -0.469 0.000 2.258 69 N HA 0.014 4.755 4.740 0.002 0.000 0.183 69 N C 1.987 176.934 175.510 -0.937 0.000 1.029 69 N CA 0.459 53.039 53.050 -0.783 0.000 0.857 69 N CB -0.038 38.050 38.487 -0.665 0.000 1.008 69 N HN 0.092 nan 8.380 nan 0.000 0.433 70 I N 1.278 121.598 120.570 -0.417 0.000 2.264 70 I HA -0.298 3.873 4.170 0.002 0.000 0.248 70 I C 2.135 178.089 176.117 -0.271 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 1.394 121.332 120.400 -0.770 0.000 2.001 71 K HA -0.271 4.050 4.320 0.002 0.000 0.208 71 K C 2.353 178.667 176.600 -0.476 0.000 1.048 71 K CA 1.692 57.222 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 0.264 120.374 120.400 -0.483 0.000 2.020 72 K HA -0.183 4.138 4.320 0.002 0.000 0.212 72 K C 2.056 178.520 176.600 -0.226 0.000 1.050 72 K CA 1.987 58.063 56.287 -0.351 0.000 0.929 72 K CB -0.343 31.866 32.500 -0.485 0.000 0.714 72 K HN 0.219 nan 8.250 nan 0.000 0.443 73 F N 0.891 120.682 119.950 -0.264 0.000 2.069 73 F HA -0.278 4.250 4.527 0.001 0.000 0.298 73 F C 2.462 177.922 175.800 -0.567 0.000 1.113 73 F CA 0.421 58.110 58.000 -0.518 0.000 1.214 73 F CB -0.453 38.307 39.000 -0.399 0.000 0.978 73 F HN 0.108 nan 8.300 nan 0.000 0.474 74 L N -0.188 121.063 121.223 0.047 0.000 2.089 74 L HA -0.303 4.038 4.340 0.002 0.000 0.213 74 L C 2.162 179.167 176.870 0.224 0.000 1.079 74 L CA 1.782 56.771 54.840 0.248 0.000 0.758 74 L CB -1.080 41.263 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 -0.193 4.358 4.550 0.002 0.000 0.291 75 Y C 2.572 178.352 175.900 -0.200 0.000 1.129 75 Y CA 1.807 59.663 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 -0.009 118.503 118.700 -0.314 0.000 2.309 76 N HA -0.180 4.561 4.740 0.002 0.000 0.182 76 N C 1.562 177.048 175.510 -0.040 0.000 1.018 76 N CA 1.289 54.156 53.050 -0.304 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 -0.432 119.508 119.950 -0.016 0.000 2.698 77 F HA 0.080 4.608 4.527 0.002 0.000 0.295 77 F C 2.030 177.950 175.800 0.199 0.000 1.124 77 F CA 0.199 58.239 58.000 0.067 0.000 1.426 77 F CB 0.307 39.331 39.000 0.040 0.000 1.120 77 F HN -0.012 nan 8.300 nan 0.000 0.583 78 T N -1.074 113.657 114.554 0.296 0.000 3.035 78 T HA -0.084 4.267 4.350 0.002 0.000 0.259 78 T C 1.853 176.690 174.700 0.227 0.000 1.078 78 T CA 0.501 62.773 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 4.374 4.340 0.002 0.000 0.208 79 Q C 0.461 176.596 176.000 0.225 0.000 0.981 79 Q CA 0.838 56.684 55.803 0.072 0.000 0.876 79 Q CB -0.040 28.613 28.738 -0.142 0.000 0.921 79 Q HN 0.435 nan 8.270 nan 0.000 0.446 80 I N 0.056 120.711 120.570 0.142 0.000 2.689 80 I HA 0.343 4.514 4.170 0.002 0.000 0.299 80 I C -2.527 173.328 176.117 -0.437 0.000 1.059 80 I CA -3.256 58.028 61.300 -0.028 0.000 1.055 80 I CB 1.472 39.408 38.000 -0.106 0.000 1.243 80 I HN -0.330 nan 8.210 nan 0.000 0.425 81 P HA 0.175 nan 4.420 nan 0.000 0.271 81 P C -0.719 176.333 177.300 -0.415 0.000 1.233 81 P CA 0.308 63.127 63.100 -0.467 0.000 0.764 81 P CB -0.012 31.466 31.700 -0.370 0.000 0.825 82 H N 2.241 121.282 119.070 -0.048 0.000 2.474 82 H HA 0.241 4.798 4.556 0.002 0.000 0.250 82 H C -0.048 175.270 175.328 -0.017 0.000 1.307 82 H CA -0.917 55.115 56.048 -0.025 0.000 1.058 82 H CB -0.025 29.718 29.762 -0.031 0.000 1.693 82 H HN 0.265 nan 8.280 nan 0.000 0.552 83 L N 2.024 123.293 121.223 0.076 0.000 2.499 83 L HA 0.223 4.564 4.340 0.002 0.000 0.273 83 L C 0.495 177.454 176.870 0.149 0.000 1.195 83 L CA -0.103 54.798 54.840 0.102 0.000 0.882 83 L CB 0.052 42.227 42.059 0.194 0.000 1.133 83 L HN 0.445 nan 8.230 nan 0.000 0.483 84 A N 4.200 127.113 122.820 0.154 0.000 2.580 84 A HA 0.400 4.721 4.320 0.002 0.000 0.244 84 A C 1.428 179.057 177.584 0.075 0.000 1.045 84 A CA 0.648 52.751 52.037 0.111 0.000 0.761 84 A CB -0.858 18.210 19.000 0.114 0.000 0.962 84 A HN 1.846 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 3.762 3.960 0.002 0.000 0.244 85 G HA3 -0.199 3.762 3.960 0.002 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 2.181 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 0.487 4.838 4.350 0.002 0.000 0.307 86 T C 1.171 175.904 174.700 0.055 0.000 1.059 86 T CA 0.644 62.748 62.100 0.007 0.000 1.122 86 T CB 1.253 70.127 68.868 0.010 0.000 0.972 86 T HN 0.410 nan 8.240 nan 0.000 0.545 87 E N 1.306 121.523 120.200 0.028 0.000 2.393 87 E HA -0.211 4.140 4.350 0.002 0.000 0.201 87 E C 1.646 178.292 176.600 0.076 0.000 1.025 87 E CA 1.070 57.512 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 -0.565 119.278 119.800 0.072 0.000 2.378 88 Q HA 0.048 4.389 4.340 0.002 0.000 0.229 88 Q C 1.565 177.650 176.000 0.143 0.000 0.882 88 Q CA 0.253 56.108 55.803 0.086 0.000 0.936 88 Q CB 0.131 28.922 28.738 0.089 0.000 1.092 88 Q HN 0.061 nan 8.270 nan 0.000 0.535 89 N N 0.203 118.994 118.700 0.152 0.000 2.309 89 N HA -0.141 4.600 4.740 0.002 0.000 0.182 89 N C 1.071 176.608 175.510 0.045 0.000 1.018 89 N CA 0.747 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 1.351 121.210 119.950 -0.151 0.000 2.206 90 F HA 0.068 4.596 4.527 0.002 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 -0.344 0.000 1.323 90 F CB -0.588 38.169 39.000 -0.404 0.000 1.028 90 F HN 0.145 nan 8.300 nan 0.000 0.492 91 Q N -0.471 119.163 119.800 -0.277 0.000 2.119 91 Q HA -0.174 4.167 4.340 0.002 0.000 0.201 91 Q C 2.122 177.942 176.000 -0.300 0.000 0.972 91 Q CA 1.519 57.101 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 0.486 121.557 121.223 -0.254 0.000 2.156 92 L HA -0.004 4.337 4.340 0.002 0.000 0.208 92 L C 2.028 178.687 176.870 -0.352 0.000 1.095 92 L CA 1.654 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 -0.145 122.505 122.820 -0.284 0.000 1.865 93 A HA -0.250 4.071 4.320 0.002 0.000 0.217 93 A C 2.313 179.725 177.584 -0.287 0.000 1.191 93 A CA 2.059 53.950 52.037 -0.243 0.000 0.623 93 A CB -0.544 18.411 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 4.077 4.320 0.002 0.000 0.208 94 K C 2.417 178.848 176.600 -0.280 0.000 1.047 94 K CA 1.700 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 1.048 120.679 119.800 -0.282 0.000 1.993 95 Q HA -0.157 4.184 4.340 0.002 0.000 0.202 95 Q C 2.126 177.959 176.000 -0.279 0.000 0.984 95 Q CA 1.466 57.130 55.803 -0.232 0.000 0.837 95 Q CB -0.054 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 0.709 121.045 120.570 -0.391 0.000 2.335 96 I HA -0.310 3.861 4.170 0.002 0.000 0.251 96 I C 2.676 178.335 176.117 -0.763 0.000 1.129 96 I CA 1.238 62.167 61.300 -0.619 0.000 1.402 96 I CB -0.411 37.079 38.000 -0.850 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 4.087 4.340 0.002 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 -0.138 28.483 28.738 -0.195 0.000 0.906 97 Q HN 0.373 nan 8.270 nan 0.000 0.423 98 S N -0.171 115.408 115.700 -0.202 0.000 2.359 98 S HA -0.294 4.177 4.470 0.002 0.000 0.222 98 S C 1.967 176.446 174.600 -0.202 0.000 1.038 98 S CA 2.012 60.118 58.200 -0.158 0.000 1.051 98 S CB -0.363 62.749 63.200 -0.145 0.000 0.944 98 S HN 0.506 nan 8.310 nan 0.000 0.433 99 Q N -1.042 118.592 119.800 -0.276 0.000 2.173 99 Q HA -0.180 4.161 4.340 0.002 0.000 0.208 99 Q C 1.908 177.475 176.000 -0.722 0.000 0.989 99 Q CA 2.034 57.556 55.803 -0.469 0.000 0.872 99 Q CB -0.242 28.300 28.738 -0.326 0.000 0.909 99 Q HN 0.693 nan 8.270 nan 0.000 0.420 100 W N 0.799 121.763 121.300 -0.561 0.000 2.388 100 W HA -0.061 4.600 4.660 0.002 0.000 0.294 100 W C 1.878 178.250 176.519 -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 0.114 120.539 120.400 0.042 0.000 2.057 101 K HA -0.218 4.103 4.320 0.002 0.000 0.207 101 K C 1.820 178.427 176.600 0.012 0.000 1.049 101 K CA 1.757 58.066 56.287 0.038 0.000 0.931 101 K CB -0.417 32.090 32.500 0.012 0.000 0.714 101 K HN 0.142 nan 8.250 nan 0.000 0.440 102 E N 0.168 120.322 120.200 -0.078 0.000 2.077 102 E HA -0.162 4.189 4.350 0.002 0.000 0.193 102 E C 1.650 178.313 176.600 0.104 0.000 0.989 102 E CA 0.983 57.362 56.400 -0.036 0.000 0.800 102 E CB 0.036 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 -0.760 119.225 119.950 0.059 0.000 2.269 103 F HA 0.086 4.614 4.527 0.002 0.000 0.301 103 F C 1.989 177.817 175.800 0.046 0.000 1.082 103 F CA 1.366 59.386 58.000 0.033 0.000 1.360 103 F CB -0.191 38.791 39.000 -0.030 0.000 1.041 103 F HN 0.287 nan 8.300 nan 0.000 0.512 104 G N -1.244 107.692 108.800 0.225 0.000 2.935 104 G HA2 -0.112 3.849 3.960 0.002 0.000 0.213 104 G HA3 -0.112 3.849 3.960 0.002 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 1.724 123.021 121.223 0.123 0.000 2.543 105 L HA 0.111 4.452 4.340 0.002 0.000 0.285 105 L C 1.260 178.191 176.870 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 0.813 121.266 120.400 0.089 0.000 2.085 106 D HA -0.031 4.610 4.640 0.002 0.000 0.199 106 D C 0.370 176.713 176.300 0.071 0.000 0.981 106 D CA 1.263 55.304 54.000 0.069 0.000 0.834 106 D CB 0.321 41.151 40.800 0.050 0.000 0.992 106 D HN 0.460 nan 8.370 nan 0.000 0.457 107 S N -0.379 115.369 115.700 0.079 0.000 2.568 107 S HA 0.589 5.060 4.470 0.002 0.000 0.302 107 S C -0.439 174.230 174.600 0.116 0.000 1.082 107 S CA -0.694 57.556 58.200 0.084 0.000 1.009 107 S CB 3.015 66.259 63.200 0.073 0.000 1.069 107 S HN -0.068 nan 8.310 nan 0.000 0.500 108 V N 2.433 122.417 119.914 0.117 0.000 2.719 108 V HA 0.409 4.530 4.120 0.002 0.000 0.289 108 V C -0.797 175.360 176.094 0.107 0.000 1.167 108 V CA -0.585 61.806 62.300 0.151 0.000 0.929 108 V CB 1.610 33.543 31.823 0.183 0.000 1.050 108 V HN 0.931 nan 8.190 nan 0.000 0.448 109 E N 3.665 123.930 120.200 0.107 0.000 2.459 109 E HA 0.674 5.025 4.350 0.002 0.000 0.275 109 E C -1.506 175.152 176.600 0.097 0.000 0.987 109 E CA -1.063 55.395 56.400 0.096 0.000 0.828 109 E CB 2.840 32.605 29.700 0.109 0.000 1.428 109 E HN 0.440 nan 8.360 nan 0.000 0.457 110 L N 1.306 122.608 121.223 0.132 0.000 2.295 110 L HA 0.626 4.967 4.340 0.002 0.000 0.285 110 L C -0.495 176.483 176.870 0.180 0.000 1.035 110 L CA -0.788 54.158 54.840 0.178 0.000 0.806 110 L CB 1.339 43.574 42.059 0.295 0.000 1.214 110 L HN 0.527 nan 8.230 nan 0.000 0.426 111 A N 3.864 126.759 122.820 0.124 0.000 2.271 111 A HA 0.604 4.925 4.320 0.002 0.000 0.317 111 A C -0.656 176.803 177.584 -0.209 0.000 1.245 111 A CA -0.498 51.546 52.037 0.010 0.000 0.857 111 A CB 0.259 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 0.596 119.289 119.070 -0.627 0.000 2.690 112 H HA 0.753 5.310 4.556 0.002 0.000 0.368 112 H C -2.062 172.573 175.328 -1.155 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 -0.216 120.029 120.300 -0.091 0.000 2.562 113 Y HA 0.195 4.746 4.550 0.002 0.000 0.345 113 Y C -0.609 175.238 175.900 -0.088 0.000 1.045 113 Y CA -1.126 56.920 58.100 -0.091 0.000 1.028 113 Y CB 1.882 40.301 38.460 -0.068 0.000 1.297 113 Y HN 0.543 nan 8.280 nan 0.000 0.463 114 D N 2.396 122.830 120.400 0.058 0.000 2.380 114 D HA 0.350 4.991 4.640 0.002 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 1.572 42.364 40.800 -0.013 0.000 1.045 114 D HN 0.148 nan 8.370 nan 0.000 0.495 115 V N 2.573 122.488 119.914 0.001 0.000 2.667 115 V HA 0.170 4.291 4.120 0.002 0.000 0.308 115 V C 0.076 176.165 176.094 -0.008 0.000 1.048 115 V CA -1.056 61.243 62.300 -0.001 0.000 0.928 115 V CB 2.322 34.150 31.823 0.007 0.000 1.004 115 V HN 0.357 nan 8.190 nan 0.000 0.444 116 L N 6.010 127.251 121.223 0.030 0.000 2.565 116 L HA 0.300 4.641 4.340 0.002 0.000 0.275 116 L C -0.375 176.587 176.870 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 5.120 4.340 0.002 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 -0.832 0.000 1.758 117 L HN 0.737 nan 8.230 nan 0.000 0.555 118 S N -1.026 114.049 115.700 -1.042 0.000 2.583 118 S HA 0.582 5.053 4.470 0.002 0.000 0.294 118 S C -1.701 172.526 174.600 -0.621 0.000 1.121 118 S CA -0.796 56.988 58.200 -0.693 0.000 0.910 118 S CB 0.756 63.572 63.200 -0.640 0.000 1.102 118 S HN 0.423 nan 8.310 nan 0.000 0.451 119 Y N 0.449 120.669 120.300 -0.134 0.000 2.609 119 Y HA 0.764 5.315 4.550 0.002 0.000 0.342 119 Y C -2.795 172.871 175.900 -0.391 0.000 1.058 119 Y CA -2.369 55.550 58.100 -0.300 0.000 1.055 119 Y CB 1.196 39.566 38.460 -0.151 0.000 1.292 119 Y HN 0.444 nan 8.280 nan 0.000 0.476 120 P HA 0.072 nan 4.420 nan 0.000 0.276 120 P C -0.797 176.469 177.300 -0.057 0.000 1.252 120 P CA -0.593 62.367 63.100 -0.234 0.000 0.802 120 P CB 0.625 32.149 31.700 -0.293 0.000 1.035 121 N N 1.706 120.419 118.700 0.021 0.000 2.406 121 N HA 0.024 4.765 4.740 0.002 0.000 0.251 121 N C 0.777 176.324 175.510 0.061 0.000 1.069 121 N CA 0.037 53.113 53.050 0.044 0.000 0.947 121 N CB 0.296 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 1.534 121.949 120.400 0.025 0.000 2.218 122 K HA -0.120 4.201 4.320 0.002 0.000 0.205 122 K C 1.168 177.810 176.600 0.071 0.000 1.046 122 K CA 1.445 57.756 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 -0.679 113.910 114.554 0.059 0.000 2.852 123 T HA -0.044 4.307 4.350 0.002 0.000 0.256 123 T C 0.516 175.367 174.700 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 1.490 120.616 119.070 0.092 0.000 2.410 124 H HA 0.272 4.829 4.556 0.002 0.000 0.232 124 H C -2.549 172.949 175.328 0.283 0.000 1.535 124 H CA -2.357 53.790 56.048 0.166 0.000 1.310 124 H CB 0.485 30.280 29.762 0.055 0.000 1.518 124 H HN 0.224 nan 8.280 nan 0.000 0.545 125 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 0.421 63.663 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 1.807 120.573 118.700 0.111 0.000 2.508 126 N HA 0.446 5.187 4.740 0.002 0.000 0.285 126 N C -0.433 175.017 175.510 -0.100 0.000 1.144 126 N CA 0.049 53.049 53.050 -0.084 0.000 0.978 126 N CB 0.936 39.450 38.487 0.045 0.000 1.180 126 N HN 0.517 nan 8.380 nan 0.000 0.484 127 Y N -2.106 117.964 120.300 -0.383 0.000 2.851 127 Y HA 0.539 5.090 4.550 0.002 0.000 0.359 127 Y C -1.814 173.855 175.900 -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 1.780 122.310 120.570 -0.068 0.000 3.133 128 I HA 0.879 5.050 4.170 0.002 0.000 0.311 128 I C -0.314 175.815 176.117 0.020 0.000 1.072 128 I CA -0.705 60.582 61.300 -0.021 0.000 1.015 128 I CB 2.308 40.289 38.000 -0.031 0.000 1.233 128 I HN 0.952 nan 8.210 nan 0.000 0.473 129 S N 1.285 117.003 115.700 0.030 0.000 2.669 129 S HA 0.619 5.090 4.470 0.002 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 64.378 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 0.538 4.709 4.170 0.002 0.000 0.291 130 I C -0.978 175.254 176.117 0.191 0.000 1.014 130 I CA -0.984 60.462 61.300 0.245 0.000 1.093 130 I CB 1.614 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 4.973 125.636 120.570 0.156 0.000 2.797 131 I HA 0.531 4.702 4.170 0.002 0.000 0.307 131 I C -0.187 175.993 176.117 0.104 0.000 1.033 131 I CA -0.469 60.901 61.300 0.116 0.000 1.071 131 I CB 1.667 39.717 38.000 0.084 0.000 1.255 131 I HN 0.762 nan 8.210 nan 0.000 0.445 132 N N 1.961 120.709 118.700 0.080 0.000 3.664 132 N HA 0.126 4.867 4.740 0.002 0.000 0.334 132 N C -0.545 174.988 175.510 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 0.367 nan 8.380 nan 0.000 0.574 133 E N 1.236 121.452 120.200 0.027 0.000 2.214 133 E HA 0.055 4.406 4.350 0.002 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 28.894 29.700 0.009 0.000 1.071 133 E HN 0.331 nan 8.360 nan 0.000 0.467 134 D N -0.391 120.024 120.400 0.024 0.000 2.946 134 D HA -0.132 4.509 4.640 0.002 0.000 0.202 134 D C 0.503 176.822 176.300 0.032 0.000 1.068 134 D CA 1.400 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 0.333 109.156 108.800 0.037 0.000 2.339 135 G HA2 0.396 4.357 3.960 0.002 0.000 0.287 135 G HA3 0.396 4.357 3.960 0.002 0.000 0.287 135 G C 0.947 175.883 174.900 0.060 0.000 1.163 135 G CA -0.275 44.850 45.100 0.043 0.000 0.872 135 G HN 0.039 nan 8.290 nan 0.000 0.464 136 N N 1.712 120.448 118.700 0.060 0.000 2.517 136 N HA -0.084 4.657 4.740 0.002 0.000 0.202 136 N C 2.010 177.559 175.510 0.065 0.000 1.042 136 N CA 0.915 54.012 53.050 0.078 0.000 0.952 136 N CB -0.334 38.204 38.487 0.086 0.000 1.211 136 N HN 0.817 nan 8.380 nan 0.000 0.458 137 E N 1.702 121.921 120.200 0.033 0.000 2.355 137 E HA -0.198 4.153 4.350 0.002 0.000 0.209 137 E C 0.162 176.779 176.600 0.029 0.000 1.050 137 E CA 0.706 57.106 56.400 0.001 0.000 0.843 137 E CB -0.496 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 2.606 123.225 120.570 0.081 0.000 3.209 138 I HA -0.140 4.031 4.170 0.002 0.000 0.288 138 I C 0.098 176.348 176.117 0.222 0.000 1.182 138 I CA 0.919 62.308 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 4.845 124.799 119.950 0.006 0.000 2.160 139 F HA -0.271 4.257 4.527 0.002 0.000 0.416 139 F C -0.350 175.425 175.800 -0.042 0.000 1.174 139 F CA 0.014 58.003 58.000 -0.018 0.000 1.373 139 F CB -0.686 38.313 39.000 -0.000 0.000 2.115 139 F HN 0.587 nan 8.300 nan 0.000 0.747 140 N N 4.733 123.128 118.700 -0.507 0.000 2.456 140 N HA 0.360 5.101 4.740 0.002 0.000 0.288 140 N C 0.330 175.363 175.510 -0.794 0.000 1.059 140 N CA -0.025 52.621 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 0.634 114.768 114.554 -0.699 0.000 2.680 141 T HA 0.017 4.368 4.350 0.002 0.000 0.314 141 T C 0.802 175.352 174.700 -0.249 0.000 1.045 141 T CA -0.188 61.658 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 0.802 116.425 115.700 -0.129 0.000 2.549 142 S HA 0.186 4.657 4.470 0.002 0.000 0.279 142 S C 0.837 175.343 174.600 -0.156 0.000 1.321 142 S CA -0.693 57.400 58.200 -0.179 0.000 1.054 142 S CB 0.039 63.162 63.200 -0.128 0.000 0.899 142 S HN 0.558 nan 8.310 nan 0.000 0.497 143 L N 2.169 123.224 121.223 -0.279 0.000 2.628 143 L HA 0.380 4.721 4.340 0.002 0.000 0.229 143 L C -0.181 176.743 176.870 0.090 0.000 1.137 143 L CA -0.200 54.593 54.840 -0.080 0.000 0.909 143 L CB -0.999 41.031 42.059 -0.048 0.000 1.137 143 L HN 0.837 nan 8.230 nan 0.000 0.470 144 F N -3.162 116.843 119.950 0.091 0.000 3.394 144 F HA 0.435 4.963 4.527 0.002 0.000 0.329 144 F C -1.260 174.591 175.800 0.086 0.000 1.063 144 F CA -1.735 56.318 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 0.448 4.799 4.350 0.002 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 1.698 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 -0.646 62.728 63.100 0.457 0.000 0.808 146 P CB -0.342 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 -2.302 175.088 177.300 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 31.285 31.700 0.037 0.000 0.762 148 P HA 0.097 nan 4.420 nan 0.000 0.271 148 P C -2.114 175.429 177.300 0.404 0.000 1.216 148 P CA -1.067 62.217 63.100 0.306 0.000 0.776 148 P CB -0.484 31.277 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 2.438 65.708 63.100 0.285 0.000 1.093 149 P CB -0.979 30.893 31.700 0.287 0.000 0.776 150 G N -1.904 106.960 108.800 0.106 0.000 2.657 150 G HA2 -0.270 3.691 3.960 0.002 0.000 0.224 150 G HA3 -0.270 3.691 3.960 0.002 0.000 0.224 150 G C 0.390 175.106 174.900 -0.307 0.000 1.086 150 G CA 1.118 46.122 45.100 -0.161 0.000 0.730 150 G HN 0.451 nan 8.290 nan 0.000 0.602 151 Y N 1.369 121.675 120.300 0.009 0.000 2.960 151 Y HA 0.257 4.808 4.550 0.002 0.000 0.393 151 Y C 1.689 177.612 175.900 0.039 0.000 1.118 151 Y CA -0.680 57.419 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 0.689 120.943 120.200 0.090 0.000 1.999 152 E HA -0.168 4.183 4.350 0.002 0.000 0.194 152 E C 0.550 177.177 176.600 0.045 0.000 0.995 152 E CA 0.685 57.125 56.400 0.067 0.000 0.825 152 E CB -0.294 29.430 29.700 0.040 0.000 0.777 152 E HN 0.386 nan 8.360 nan 0.000 0.459 153 N N 1.285 120.002 118.700 0.028 0.000 2.918 153 N HA 0.142 4.883 4.740 0.002 0.000 0.247 153 N C -1.383 174.150 175.510 0.038 0.000 1.117 153 N CA 0.037 53.099 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 1.800 121.755 119.914 0.069 0.000 2.419 154 V HA 0.231 4.352 4.120 0.002 0.000 0.287 154 V C 0.367 176.501 176.094 0.067 0.000 1.017 154 V CA -1.089 61.277 62.300 0.110 0.000 0.844 154 V CB 0.884 32.866 31.823 0.266 0.000 1.011 154 V HN 0.518 nan 8.190 nan 0.000 0.429 155 S N 2.417 118.137 115.700 0.034 0.000 2.572 155 S HA 0.388 4.859 4.470 0.002 0.000 0.279 155 S C 0.401 174.995 174.600 -0.009 0.000 1.341 155 S CA 0.174 58.377 58.200 0.004 0.000 1.043 155 S CB 0.767 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 -1.303 119.080 120.400 -0.028 0.000 2.661 156 D HA -0.127 4.514 4.640 0.002 0.000 0.183 156 D C -0.326 175.936 176.300 -0.064 0.000 0.935 156 D CA 0.512 54.484 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 2.534 123.058 120.570 -0.077 0.000 2.752 157 I HA -0.051 4.120 4.170 0.002 0.000 0.286 157 I C 0.941 177.045 176.117 -0.021 0.000 1.180 157 I CA 0.561 61.793 61.300 -0.113 0.000 1.404 157 I CB 0.191 38.132 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 4.301 4.120 0.002 0.000 0.271 158 V C -1.880 174.337 176.094 0.205 0.000 1.046 158 V CA -1.627 60.763 62.300 0.150 0.000 0.945 158 V CB 0.832 32.826 31.823 0.285 0.000 0.992 158 V HN 0.622 nan 8.190 nan 0.000 0.471 159 P HA 0.081 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 -0.570 62.679 63.100 0.248 0.000 0.760 159 P CB -0.263 31.584 31.700 0.245 0.000 0.773 160 P HA -0.035 nan 4.420 nan 0.000 0.263 160 P C -0.790 176.547 177.300 0.062 0.000 1.162 160 P CA 0.971 64.094 63.100 0.039 0.000 0.758 160 P CB -0.136 31.571 31.700 0.011 0.000 0.773 161 F N -0.509 119.270 119.950 -0.284 0.000 2.669 161 F HA 0.423 4.951 4.527 0.002 0.000 0.315 161 F C -1.133 174.511 175.800 -0.259 0.000 1.109 161 F CA -0.903 56.912 58.000 -0.308 0.000 1.028 161 F CB 0.549 39.507 39.000 -0.069 0.000 1.287 161 F HN -0.031 nan 8.300 nan 0.000 0.452 162 S N 2.792 118.407 115.700 -0.141 0.000 2.481 162 S HA 0.654 5.125 4.470 0.002 0.000 0.276 162 S C 0.278 174.937 174.600 0.098 0.000 1.247 162 S CA -0.078 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 2.932 125.729 122.820 -0.037 0.000 2.462 163 A HA 0.567 4.888 4.320 0.002 0.000 0.243 163 A C 0.295 178.117 177.584 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 18.390 19.000 0.154 0.000 1.010 163 A HN 0.993 nan 8.150 nan 0.000 0.493 164 F N 0.290 120.416 119.950 0.293 0.000 2.988 164 F HA -0.194 4.334 4.527 0.002 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 -1.829 37.259 39.000 0.147 0.000 1.392 164 F HN 0.587 nan 8.300 nan 0.000 0.425 165 S N 0.822 116.685 115.700 0.272 0.000 2.564 165 S HA 0.485 4.956 4.470 0.002 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 -0.634 176.716 177.300 0.083 0.000 1.231 166 P CA -0.425 62.735 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 0.462 120.308 119.800 0.076 0.000 2.492 167 Q HA 0.541 4.882 4.340 0.002 0.000 0.238 167 Q C 0.350 176.382 176.000 0.053 0.000 1.045 167 Q CA 0.182 56.031 55.803 0.077 0.000 0.934 167 Q CB 0.303 29.099 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 4.164 3.960 0.002 0.000 0.310 168 G HA3 0.203 4.164 3.960 0.002 0.000 0.310 168 G C -1.224 173.633 174.900 -0.071 0.000 1.534 168 G CA -0.986 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 2.625 122.165 119.600 -0.099 0.000 2.353 169 M HA 0.256 4.737 4.480 0.002 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 34.391 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 -1.086 176.179 177.300 -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 32.877 31.700 -0.029 0.000 0.933 171 E N 0.555 120.733 120.200 -0.038 0.000 2.199 171 E HA 0.703 5.054 4.350 0.002 0.000 0.269 171 E C -0.107 176.481 176.600 -0.021 0.000 0.899 171 E CA -0.813 55.571 56.400 -0.026 0.000 0.772 171 E CB 1.935 31.621 29.700 -0.023 0.000 1.155 171 E HN 0.732 nan 8.360 nan 0.000 0.408 172 G N 2.098 110.882 108.800 -0.028 0.000 2.325 172 G HA2 0.070 4.031 3.960 0.002 0.000 0.297 172 G HA3 0.070 4.031 3.960 0.002 0.000 0.297 172 G C -1.436 173.421 174.900 -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 -0.615 119.737 120.400 -0.080 0.000 2.371 173 D HA 0.505 5.146 4.640 0.002 0.000 0.242 173 D C 0.047 176.327 176.300 -0.034 0.000 1.218 173 D CA 0.206 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 -0.183 121.040 121.223 0.001 0.000 2.332 174 L HA 0.519 4.860 4.340 0.002 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 1.544 43.719 42.059 0.193 0.000 1.280 174 L HN 0.077 nan 8.230 nan 0.000 0.447 175 V N 0.758 120.791 119.914 0.198 0.000 2.555 175 V HA 0.200 4.321 4.120 0.002 0.000 0.283 175 V C -0.911 175.335 176.094 0.253 0.000 1.020 175 V CA -0.751 61.687 62.300 0.230 0.000 0.883 175 V CB 0.913 32.873 31.823 0.228 0.000 1.030 175 V HN 0.580 nan 8.190 nan 0.000 0.448 176 Y N 5.606 126.014 120.300 0.180 0.000 2.683 176 Y HA 0.444 4.995 4.550 0.002 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 0.907 39.486 38.460 0.198 0.000 1.328 176 Y HN 0.382 nan 8.280 nan 0.000 0.603 177 V N 6.489 125.772 119.914 -1.052 0.000 2.655 177 V HA 0.137 4.258 4.120 0.002 0.000 0.301 177 V C -0.422 174.722 176.094 -1.584 0.000 1.082 177 V CA -1.595 59.973 62.300 -1.221 0.000 0.899 177 V CB 1.515 32.843 31.823 -0.824 0.000 1.014 177 V HN 0.908 nan 8.190 nan 0.000 0.429 178 N N 3.015 120.382 118.700 -2.221 0.000 2.292 178 N HA -0.017 4.723 4.740 0.002 0.000 0.258 178 N C -0.134 174.873 175.510 -0.838 0.000 1.261 178 N CA -0.011 51.948 53.050 -1.819 0.000 0.845 178 N CB 0.126 36.838 38.487 -2.958 0.000 1.064 178 N HN 0.722 nan 8.380 nan 0.000 0.471 179 Y N 0.922 120.915 120.300 -0.513 0.000 2.889 179 Y HA -0.335 4.216 4.550 0.002 0.000 0.223 179 Y C 1.143 176.983 175.900 -0.100 0.000 1.067 179 Y CA 0.563 58.542 58.100 -0.202 0.000 0.999 179 Y CB -2.537 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 -0.967 121.770 122.820 -0.138 0.000 6.890 180 A HA -0.310 4.011 4.320 0.002 0.000 0.242 180 A C 0.621 178.153 177.584 -0.087 0.000 2.184 180 A CA 0.630 52.559 52.037 -0.180 0.000 0.705 180 A CB -0.673 18.327 19.000 -0.000 0.000 0.983 180 A HN 0.714 nan 8.150 nan 0.000 0.384 181 R N 0.143 120.574 120.500 -0.115 0.000 2.637 181 R HA 0.182 4.523 4.340 0.002 0.000 0.331 181 R C 0.764 177.080 176.300 0.027 0.000 1.166 181 R CA 0.920 57.068 56.100 0.079 0.000 0.993 181 R CB -0.732 29.878 30.300 0.517 0.000 1.012 181 R HN 0.638 nan 8.270 nan 0.000 0.461 182 T N 4.236 118.668 114.554 -0.204 0.000 3.284 182 T HA -0.008 4.343 4.350 0.002 0.000 0.252 182 T C 0.333 174.911 174.700 -0.204 0.000 1.144 182 T CA 0.223 62.131 62.100 -0.321 0.000 1.021 182 T CB -0.100 68.258 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 -0.059 0.000 3.881 183 E HA -0.172 4.179 4.350 0.002 0.000 0.165 183 E C 1.062 177.685 176.600 0.038 0.000 1.025 183 E CA 1.601 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 1.204 121.543 120.400 -0.103 0.000 2.205 184 D HA -0.190 4.451 4.640 0.002 0.000 0.190 184 D C 2.137 178.541 176.300 0.173 0.000 1.002 184 D CA 2.135 56.112 54.000 -0.038 0.000 0.848 184 D CB -0.997 39.690 40.800 -0.189 0.000 0.975 184 D HN 0.319 nan 8.370 nan 0.000 0.449 185 F N -0.100 119.920 119.950 0.116 0.000 2.135 185 F HA -0.247 4.281 4.527 0.002 0.000 0.300 185 F C 2.572 178.473 175.800 0.167 0.000 1.074 185 F CA 0.663 58.710 58.000 0.078 0.000 1.262 185 F CB -0.480 38.326 39.000 -0.323 0.000 1.013 185 F HN -0.050 nan 8.300 nan 0.000 0.489 186 F N -0.104 120.009 119.950 0.273 0.000 2.619 186 F HA 0.022 4.550 4.527 0.002 0.000 0.293 186 F C 1.980 177.880 175.800 0.167 0.000 1.119 186 F CA 0.057 58.177 58.000 0.200 0.000 1.445 186 F CB 0.077 39.157 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 0.006 4.327 4.320 0.002 0.000 0.214 187 K C 0.371 177.096 176.600 0.209 0.000 1.032 187 K CA 0.245 56.657 56.287 0.208 0.000 1.198 187 K CB -0.070 32.511 32.500 0.135 0.000 0.941 187 K HN 0.254 nan 8.250 nan 0.000 0.491 188 L N 0.397 121.790 121.223 0.282 0.000 3.519 188 L HA 0.243 4.584 4.340 0.002 0.000 0.323 188 L C -0.104 176.900 176.870 0.223 0.000 1.289 188 L CA 0.186 55.177 54.840 0.251 0.000 1.039 188 L CB 0.904 43.177 42.059 0.357 0.000 1.438 188 L HN -0.001 nan 8.230 nan 0.000 0.619 189 E N 0.088 120.432 120.200 0.239 0.000 2.476 189 E HA 0.148 4.499 4.350 0.002 0.000 0.196 189 E C 1.435 178.112 176.600 0.127 0.000 1.029 189 E CA 0.032 56.556 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 -0.388 120.176 120.500 0.107 0.000 2.237 190 R HA 0.126 4.467 4.340 0.002 0.000 0.195 190 R C 0.272 176.604 176.300 0.053 0.000 0.956 190 R CA 0.327 56.470 56.100 0.071 0.000 1.029 190 R CB -0.044 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 1.976 122.409 120.400 0.055 0.000 2.332 191 D HA 0.040 4.681 4.640 0.002 0.000 0.244 191 D C 0.523 176.832 176.300 0.015 0.000 1.136 191 D CA 0.644 54.662 54.000 0.030 0.000 0.884 191 D CB 0.334 41.149 40.800 0.024 0.000 0.906 191 D HN 0.470 nan 8.370 nan 0.000 0.520 192 M N -2.657 116.959 119.600 0.028 0.000 5.838 192 M HA 0.123 4.604 4.480 0.002 0.000 0.687 192 M C -1.083 175.239 176.300 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 32.320 32.600 0.004 0.000 1.448 192 M HN -0.355 nan 8.290 nan 0.000 0.731 193 K N 2.141 122.564 120.400 0.038 0.000 5.128 193 K HA -0.115 4.206 4.320 0.002 0.000 0.371 193 K C -0.952 175.679 176.600 0.052 0.000 0.786 193 K CA 0.753 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 4.257 4.170 0.002 0.000 0.280 194 I C -0.261 175.899 176.117 0.071 0.000 1.083 194 I CA -0.440 60.908 61.300 0.081 0.000 1.080 194 I CB 1.554 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 4.717 123.447 118.700 0.050 0.000 2.767 195 N HA 0.124 4.865 4.740 0.002 0.000 0.238 195 N C 1.078 176.606 175.510 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 39.422 38.487 0.019 0.000 1.252 195 N HN 0.585 nan 8.380 nan 0.000 0.512 196 C N 0.161 119.481 119.300 0.033 0.000 2.399 196 C HA -0.092 4.369 4.460 0.002 0.000 0.296 196 C C 1.742 176.743 174.990 0.020 0.000 1.415 196 C CA 0.219 59.265 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 0.580 nan 8.230 nan 0.000 0.549 197 S N 0.188 115.887 115.700 -0.002 0.000 2.673 197 S HA 0.328 4.799 4.470 0.002 0.000 0.308 197 S C 1.239 175.844 174.600 0.009 0.000 1.246 197 S CA 1.147 59.344 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 4.132 112.938 108.800 0.010 0.000 2.198 198 G HA2 -0.217 3.744 3.960 0.002 0.000 0.257 198 G HA3 -0.217 3.744 3.960 0.002 0.000 0.257 198 G C -0.324 174.587 174.900 0.018 0.000 1.042 198 G CA 0.356 45.464 45.100 0.012 0.000 0.791 198 G HN 0.738 nan 8.290 nan 0.000 0.502 199 K N -0.076 120.344 120.400 0.032 0.000 2.482 199 K HA 0.478 4.799 4.320 0.002 0.000 0.251 199 K C 0.167 176.809 176.600 0.070 0.000 0.936 199 K CA -1.204 55.111 56.287 0.046 0.000 0.791 199 K CB 1.771 34.307 32.500 0.060 0.000 1.213 199 K HN 0.030 nan 8.250 nan 0.000 0.428 200 I N 3.660 124.269 120.570 0.066 0.000 2.483 200 I HA 0.026 4.197 4.170 0.002 0.000 0.291 200 I C 0.234 176.429 176.117 0.130 0.000 1.112 200 I CA -0.100 61.254 61.300 0.089 0.000 1.350 200 I CB -0.158 37.887 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 0.309 4.430 4.120 0.002 0.000 0.279 201 V C 0.313 176.512 176.094 0.175 0.000 1.048 201 V CA -0.538 61.885 62.300 0.204 0.000 0.967 201 V CB 2.044 34.059 31.823 0.320 0.000 0.988 201 V HN 0.581 nan 8.190 nan 0.000 0.473 202 I N 4.850 125.526 120.570 0.177 0.000 2.354 202 I HA 0.822 4.993 4.170 0.002 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 0.195 0.000 1.188 202 I CB 1.191 39.324 38.000 0.220 0.000 1.342 202 I HN 0.712 nan 8.210 nan 0.000 0.457 203 A N 7.508 130.408 122.820 0.134 0.000 2.469 203 A HA 0.765 5.086 4.320 0.002 0.000 0.299 203 A C -1.060 176.456 177.584 -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 1.298 121.604 120.500 -0.323 0.000 2.346 204 R HA 0.456 4.797 4.340 0.002 0.000 0.311 204 R C -1.179 174.913 176.300 -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 30.336 30.300 -0.937 0.000 1.100 204 R HN 0.730 nan 8.270 nan 0.000 0.453 205 Y N 1.533 121.626 120.300 -0.344 0.000 2.890 205 Y HA 0.113 4.664 4.550 0.002 0.000 0.341 205 Y C 1.389 177.214 175.900 -0.125 0.000 1.269 205 Y CA 1.210 59.220 58.100 -0.150 0.000 1.517 205 Y CB 0.635 39.088 38.460 -0.012 0.000 1.314 205 Y HN 1.000 nan 8.280 nan 0.000 0.622 206 G N 2.016 110.882 108.800 0.110 0.000 2.348 206 G HA2 0.169 4.130 3.960 0.002 0.000 0.606 206 G HA3 0.169 4.130 3.960 0.002 0.000 0.606 206 G C -0.826 174.040 174.900 -0.056 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 4.077 4.320 0.002 0.000 0.174 207 K C 1.550 178.045 176.600 -0.176 0.000 1.037 207 K CA 1.923 58.035 56.287 -0.291 0.000 0.526 207 K CB -2.466 29.849 32.500 -0.309 0.000 0.711 207 K HN 2.191 nan 8.250 nan 0.000 0.689 208 V N 0.700 120.595 119.914 -0.030 0.000 2.999 208 V HA 0.287 4.408 4.120 0.002 0.000 0.307 208 V C 0.839 177.002 176.094 0.115 0.000 1.084 208 V CA -0.411 61.954 62.300 0.107 0.000 1.155 208 V CB -0.267 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 4.346 124.268 119.950 -0.047 0.000 2.541 209 F HA 0.309 4.836 4.527 0.002 0.000 0.378 209 F C 1.931 177.719 175.800 -0.021 0.000 1.068 209 F CA 0.198 58.163 58.000 -0.059 0.000 1.199 209 F CB 0.294 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 1.982 122.505 120.500 0.038 0.000 2.246 210 R HA -0.291 4.049 4.340 0.002 0.000 0.266 210 R C 1.942 178.323 176.300 0.134 0.000 1.163 210 R CA 1.882 58.033 56.100 0.085 0.000 0.992 210 R CB -1.451 28.851 30.300 0.003 0.000 0.895 210 R HN 0.774 nan 8.270 nan 0.000 0.465 211 G N 1.318 110.198 108.800 0.134 0.000 2.628 211 G HA2 -0.371 3.590 3.960 0.002 0.000 0.217 211 G HA3 -0.371 3.590 3.960 0.002 0.000 0.217 211 G C 1.107 176.080 174.900 0.120 0.000 1.240 211 G CA 1.178 46.348 45.100 0.117 0.000 0.792 211 G HN 0.463 nan 8.290 nan 0.000 0.593 212 N N 0.938 119.712 118.700 0.124 0.000 2.060 212 N HA -0.143 4.598 4.740 0.002 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 0.653 121.145 120.400 0.153 0.000 2.052 213 K HA -0.160 4.161 4.320 0.002 0.000 0.215 213 K C 2.129 178.845 176.600 0.193 0.000 1.053 213 K CA 1.409 57.795 56.287 0.165 0.000 0.934 213 K CB -0.426 32.167 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 3.880 4.120 0.002 0.000 0.245 214 V C 2.439 178.620 176.094 0.144 0.000 1.045 214 V CA 1.849 64.244 62.300 0.158 0.000 1.024 214 V CB -0.391 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 -0.198 4.123 4.320 0.002 0.000 0.208 215 K C 1.904 178.568 176.600 0.106 0.000 1.048 215 K CA 2.185 58.531 56.287 0.097 0.000 0.932 215 K CB -0.356 32.191 32.500 0.078 0.000 0.715 215 K HN 0.500 nan 8.250 nan 0.000 0.437 216 N N -0.117 118.676 118.700 0.155 0.000 2.258 216 N HA -0.176 4.565 4.740 0.002 0.000 0.187 216 N C 1.521 177.141 175.510 0.183 0.000 1.012 216 N CA 0.949 54.118 53.050 0.198 0.000 0.870 216 N CB -0.086 38.581 38.487 0.300 0.000 0.977 216 N HN 0.352 nan 8.380 nan 0.000 0.434 217 A N 0.556 123.529 122.820 0.256 0.000 1.968 217 A HA -0.121 4.200 4.320 0.002 0.000 0.217 217 A C 2.005 179.589 177.584 0.000 0.000 1.169 217 A CA 0.955 53.130 52.037 0.231 0.000 0.638 217 A CB -0.183 18.998 19.000 0.303 0.000 0.812 217 A HN 0.297 nan 8.150 nan 0.000 0.446 218 Q N -0.321 119.494 119.800 0.025 0.000 2.123 218 Q HA 0.057 4.398 4.340 0.002 0.000 0.199 218 Q C 1.719 177.688 176.000 -0.052 0.000 0.966 218 Q CA 0.976 56.777 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 0.035 121.219 121.223 -0.065 0.000 2.549 219 L HA -0.060 4.281 4.340 0.002 0.000 0.229 219 L C 1.975 178.745 176.870 -0.166 0.000 1.158 219 L CA 0.428 55.219 54.840 -0.081 0.000 0.842 219 L CB -0.289 41.746 42.059 -0.040 0.000 0.952 219 L HN 0.190 nan 8.230 nan 0.000 0.452 220 A N -0.906 121.730 122.820 -0.306 0.000 2.115 220 A HA 0.404 4.725 4.320 0.002 0.000 0.211 220 A C 1.773 179.224 177.584 -0.222 0.000 1.169 220 A CA 0.835 52.617 52.037 -0.425 0.000 0.787 220 A CB 0.234 18.600 19.000 -1.057 0.000 0.858 220 A HN 0.426 nan 8.150 nan 0.000 0.474 221 G N -1.865 106.848 108.800 -0.146 0.000 2.229 221 G HA2 0.222 4.183 3.960 0.002 0.000 0.189 221 G HA3 0.222 4.183 3.960 0.002 0.000 0.189 221 G C 0.607 175.487 174.900 -0.032 0.000 1.000 221 G CA 0.190 45.249 45.100 -0.068 0.000 0.663 221 G HN 1.655 nan 8.290 nan 0.000 0.493 222 A N 0.309 123.110 122.820 -0.031 0.000 2.641 222 A HA 0.301 4.622 4.320 0.002 0.000 0.228 222 A C 1.281 178.886 177.584 0.034 0.000 1.049 222 A CA 1.974 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 0.800 nan 8.150 nan 0.000 0.498 223 K N 0.773 121.200 120.400 0.045 0.000 2.367 223 K HA 0.340 4.661 4.320 0.002 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 0.270 32.785 32.500 0.025 0.000 0.894 223 K HN 1.162 nan 8.250 nan 0.000 0.540 224 G N -0.189 108.648 108.800 0.063 0.000 2.451 224 G HA2 0.400 4.361 3.960 0.002 0.000 0.292 224 G HA3 0.400 4.361 3.960 0.002 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 -0.095 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 4.634 4.120 0.002 0.000 0.306 225 V C -0.745 175.428 176.094 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 4.650 4.170 0.002 0.000 0.286 226 I C -0.469 175.713 176.117 0.108 0.000 1.007 226 I CA -0.331 61.050 61.300 0.135 0.000 1.167 226 I CB 1.310 39.399 38.000 0.148 0.000 1.320 226 I HN 0.384 nan 8.210 nan 0.000 0.458 227 L N 8.068 129.301 121.223 0.018 0.000 2.305 227 L HA 0.473 4.814 4.340 0.002 0.000 0.284 227 L C -0.635 176.026 176.870 -0.348 0.000 1.013 227 L CA -0.806 53.908 54.840 -0.210 0.000 0.819 227 L CB 1.482 43.359 42.059 -0.304 0.000 1.227 227 L HN 0.532 nan 8.230 nan 0.000 0.417 228 Y N 0.497 120.541 120.300 -0.428 0.000 2.570 228 Y HA 0.657 5.208 4.550 0.002 0.000 0.345 228 Y C -0.420 175.327 175.900 -0.254 0.000 1.014 228 Y CA -1.243 56.678 58.100 -0.297 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 2.889 118.581 115.700 -0.014 0.000 2.473 229 S HA 0.081 4.552 4.470 0.002 0.000 0.312 229 S C -0.800 173.898 174.600 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 3.013 123.238 120.400 -0.290 0.000 2.304 230 D HA 0.187 4.828 4.640 0.002 0.000 0.250 230 D C -1.748 174.411 176.300 -0.234 0.000 1.107 230 D CA -2.116 51.816 54.000 -0.114 0.000 0.885 230 D CB 1.579 42.242 40.800 -0.227 0.000 1.192 230 D HN 0.089 nan 8.370 nan 0.000 0.436 231 P HA -0.126 nan 4.420 nan 0.000 0.216 231 P C 1.027 178.272 177.300 -0.092 0.000 1.150 231 P CA 1.545 64.477 63.100 -0.280 0.000 0.837 231 P CB 0.159 31.469 31.700 -0.649 0.000 0.786 232 A N 0.231 122.975 122.820 -0.126 0.000 1.896 232 A HA -0.291 4.030 4.320 0.002 0.000 0.220 232 A C 1.937 179.497 177.584 -0.040 0.000 1.206 232 A CA 2.469 54.464 52.037 -0.071 0.000 0.647 232 A CB -1.455 17.459 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 4.601 4.640 0.002 0.000 0.203 233 D C 0.345 176.538 176.300 -0.179 0.000 0.976 233 D CA 1.462 55.359 54.000 -0.172 0.000 0.865 233 D CB -0.693 39.851 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 5.122 4.550 0.002 0.000 0.328 234 Y C -1.043 174.715 175.900 -0.236 0.000 1.003 234 Y CA -2.114 55.670 58.100 -0.527 0.000 1.275 234 Y CB -0.048 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 2.711 122.504 119.950 -0.262 0.000 3.397 235 F HA 0.690 5.219 4.527 0.002 0.000 0.406 235 F C -0.446 175.390 175.800 0.060 0.000 1.166 235 F CA -1.450 56.525 58.000 -0.043 0.000 1.322 235 F CB 0.254 39.228 39.000 -0.042 0.000 2.322 235 F HN 0.719 nan 8.300 nan 0.000 0.709 236 A N 5.160 127.931 122.820 -0.082 0.000 2.572 236 A HA 0.281 4.602 4.320 0.002 0.000 0.256 236 A C -2.340 175.165 177.584 -0.133 0.000 1.041 236 A CA -0.472 51.675 52.037 0.183 0.000 0.790 236 A CB -0.782 18.564 19.000 0.575 0.000 0.947 236 A HN 0.450 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 1.877 64.944 63.100 -0.057 0.000 0.780 237 P CB 0.345 32.070 31.700 0.040 0.000 0.789 238 G N 1.566 110.277 108.800 -0.150 0.000 2.309 238 G HA2 -0.004 3.957 3.960 0.002 0.000 0.183 238 G HA3 -0.004 3.957 3.960 0.002 0.000 0.183 238 G C -0.344 174.450 174.900 -0.176 0.000 1.063 238 G CA -0.423 44.601 45.100 -0.127 0.000 0.768 238 G HN 0.477 nan 8.290 nan 0.000 0.490 239 V N -1.392 118.406 119.914 -0.192 0.000 3.188 239 V HA 0.720 4.841 4.120 0.002 0.000 0.305 239 V C 0.017 176.111 176.094 -0.001 0.000 1.232 239 V CA -1.433 60.785 62.300 -0.136 0.000 1.043 239 V CB 2.138 33.861 31.823 -0.167 0.000 1.068 239 V HN 0.334 nan 8.190 nan 0.000 0.439 240 K N 0.122 120.578 120.400 0.093 0.000 2.179 240 K HA 0.617 4.938 4.320 0.002 0.000 0.238 240 K C -0.144 176.584 176.600 0.214 0.000 1.033 240 K CA -0.436 55.946 56.287 0.159 0.000 0.926 240 K CB 0.426 33.010 32.500 0.139 0.000 1.151 240 K HN 0.606 nan 8.250 nan 0.000 0.492 241 S N 1.483 117.302 115.700 0.199 0.000 2.439 241 S HA 0.057 4.528 4.470 0.002 0.000 0.282 241 S C 0.268 174.914 174.600 0.077 0.000 1.170 241 S CA -0.450 57.850 58.200 0.166 0.000 1.054 241 S CB -0.346 62.930 63.200 0.126 0.000 0.956 241 S HN 0.660 nan 8.310 nan 0.000 0.490 242 Y N 6.107 126.385 120.300 -0.037 0.000 2.176 242 Y HA -0.425 4.126 4.550 0.002 0.000 0.157 242 Y C -1.492 174.389 175.900 -0.031 0.000 1.161 242 Y CA 3.249 61.293 58.100 -0.093 0.000 0.814 242 Y CB -2.399 35.998 38.460 -0.106 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 0.845 177.921 177.300 -0.372 0.000 1.141 243 P CA 2.987 65.689 63.100 -0.665 0.000 0.964 243 P CB -0.120 31.503 31.700 -0.129 0.000 0.784 244 D N -3.072 117.272 120.400 -0.093 0.000 2.513 244 D HA 0.170 4.811 4.640 0.002 0.000 0.222 244 D C 1.442 177.886 176.300 0.240 0.000 1.210 244 D CA 0.231 54.332 54.000 0.168 0.000 0.825 244 D CB 0.316 41.182 40.800 0.110 0.000 1.037 244 D HN 0.160 nan 8.370 nan 0.000 0.506 245 G N 0.072 108.882 108.800 0.018 0.000 2.586 245 G HA2 0.044 4.005 3.960 0.002 0.000 0.199 245 G HA3 0.044 4.005 3.960 0.002 0.000 0.199 245 G C 0.684 175.658 174.900 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 -1.822 119.307 121.300 -0.284 0.000 0.378 246 W HA -0.126 4.535 4.660 0.002 0.000 0.220 246 W C 0.100 176.629 176.519 0.016 0.000 0.934 246 W CA 0.360 57.554 57.345 -0.252 0.000 0.333 246 W CB -0.831 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 0.468 5.209 4.740 0.002 0.000 0.304 247 N C -0.869 174.810 175.510 0.281 0.000 1.296 247 N CA 0.349 53.621 53.050 0.369 0.000 0.950 247 N CB 0.524 39.198 38.487 0.311 0.000 1.127 247 N HN 0.056 nan 8.380 nan 0.000 0.587 248 L N 1.725 123.184 121.223 0.394 0.000 2.275 248 L HA 0.527 4.868 4.340 0.002 0.000 0.288 248 L C -2.368 174.628 176.870 0.210 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 0.422 177.331 177.300 -0.652 0.000 1.237 249 P CA -0.264 62.648 63.100 -0.314 0.000 0.793 249 P CB 0.883 32.234 31.700 -0.581 0.000 0.977 250 G N 1.478 109.570 108.800 -1.180 0.000 2.422 250 G HA2 -0.182 3.779 3.960 0.002 0.000 0.218 250 G HA3 -0.182 3.779 3.960 0.002 0.000 0.218 250 G C 1.530 175.622 174.900 -1.347 0.000 1.146 250 G CA 0.840 44.544 45.100 -2.327 0.000 0.769 250 G HN 0.636 nan 8.290 nan 0.000 0.547 251 G N 0.410 108.756 108.800 -0.758 0.000 2.650 251 G HA2 0.320 4.281 3.960 0.002 0.000 0.214 251 G HA3 0.320 4.281 3.960 0.002 0.000 0.214 251 G C 0.946 175.783 174.900 -0.107 0.000 1.136 251 G CA 0.481 45.416 45.100 -0.276 0.000 0.789 251 G HN 0.623 nan 8.290 nan 0.000 0.536 252 G N -0.085 108.613 108.800 -0.170 0.000 2.343 252 G HA2 0.406 4.367 3.960 0.002 0.000 0.254 252 G HA3 0.406 4.367 3.960 0.002 0.000 0.254 252 G C -0.749 174.169 174.900 0.030 0.000 1.277 252 G CA -0.109 45.028 45.100 0.063 0.000 0.909 252 G HN 0.137 nan 8.290 nan 0.000 0.502 253 V N 2.720 122.687 119.914 0.089 0.000 2.715 253 V HA 0.361 4.482 4.120 0.002 0.000 0.310 253 V C 0.100 176.215 176.094 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 3.759 123.606 119.800 0.077 0.000 2.398 254 Q HA 0.418 4.759 4.340 0.002 0.000 0.251 254 Q C -0.219 175.726 176.000 -0.092 0.000 0.999 254 Q CA -0.650 55.174 55.803 0.035 0.000 0.874 254 Q CB 0.772 29.620 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 5.031 4.340 0.002 0.000 0.282 255 R C 0.129 175.974 176.300 -0.759 0.000 1.133 255 R CA 0.679 56.268 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 -0.342 107.911 108.800 -0.910 0.000 2.368 256 G HA2 0.165 4.126 3.960 0.002 0.000 0.303 256 G HA3 0.165 4.126 3.960 0.002 0.000 0.303 256 G C -1.822 172.954 174.900 -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 -0.970 117.758 118.700 0.047 0.000 2.487 257 N HA 0.609 5.350 4.740 0.002 0.000 0.292 257 N C 0.909 176.497 175.510 0.130 0.000 1.108 257 N CA -0.788 52.349 53.050 0.145 0.000 0.956 257 N CB 1.523 40.168 38.487 0.264 0.000 1.176 257 N HN 0.806 nan 8.380 nan 0.000 0.484 258 I N -1.478 119.198 120.570 0.178 0.000 3.877 258 I HA 0.314 4.485 4.170 0.002 0.000 0.332 258 I C -0.481 175.690 176.117 0.090 0.000 1.525 258 I CA -0.645 60.735 61.300 0.133 0.000 1.146 258 I CB -0.215 37.874 38.000 0.147 0.000 1.137 258 I HN 0.286 nan 8.210 nan 0.000 0.424 259 L N 1.427 122.667 121.223 0.029 0.000 2.473 259 L HA 0.163 4.504 4.340 0.002 0.000 0.268 259 L C 0.047 176.884 176.870 -0.055 0.000 1.215 259 L CA 0.348 55.122 54.840 -0.110 0.000 0.823 259 L CB 0.278 42.142 42.059 -0.325 0.000 1.099 259 L HN 0.277 nan 8.230 nan 0.000 0.483 260 N N 1.488 120.145 118.700 -0.073 0.000 2.844 260 N HA 0.277 5.018 4.740 0.002 0.000 0.268 260 N C -0.210 175.250 175.510 -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 0.307 121.463 121.223 -0.113 0.000 2.779 261 L HA 0.167 4.508 4.340 0.002 0.000 0.239 261 L C 1.266 178.038 176.870 -0.164 0.000 1.245 261 L CA -0.274 54.482 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 1.784 120.397 118.700 -0.143 0.000 1.409 262 N HA -0.324 4.417 4.740 0.002 0.000 0.113 262 N C 1.601 176.768 175.510 -0.571 0.000 0.398 262 N CA 2.492 55.416 53.050 -0.209 0.000 0.788 262 N CB -0.836 37.551 38.487 -0.167 0.000 0.637 262 N HN 0.537 nan 8.380 nan 0.000 1.398 263 G N 0.204 108.701 108.800 -0.506 0.000 2.866 263 G HA2 0.287 4.248 3.960 0.002 0.000 0.207 263 G HA3 0.287 4.248 3.960 0.002 0.000 0.207 263 G C 0.325 174.993 174.900 -0.388 0.000 1.402 263 G CA 2.266 47.035 45.100 -0.552 0.000 0.830 263 G HN 0.944 nan 8.290 nan 0.000 0.644 264 A N -4.151 118.524 122.820 -0.242 0.000 2.410 264 A HA 0.725 5.046 4.320 0.002 0.000 0.300 264 A C 0.101 177.360 177.584 -0.541 0.000 1.077 264 A CA 0.470 52.265 52.037 -0.403 0.000 0.610 264 A CB 0.112 18.865 19.000 -0.412 0.000 1.371 264 A HN 2.510 nan 8.150 nan 0.000 0.510 265 G N -0.425 108.101 108.800 -0.456 0.000 2.603 265 G HA2 0.461 4.422 3.960 0.002 0.000 0.686 265 G HA3 0.461 4.422 3.960 0.002 0.000 0.686 265 G C -0.773 173.961 174.900 -0.276 0.000 1.286 265 G CA 0.471 45.322 45.100 -0.414 0.000 0.871 265 G HN 2.158 nan 8.290 nan 0.000 0.568 266 D N 0.485 120.748 120.400 -0.228 0.000 2.389 266 D HA 0.475 5.116 4.640 0.002 0.000 0.247 266 D C -0.673 175.536 176.300 -0.153 0.000 1.128 266 D CA -1.668 52.241 54.000 -0.152 0.000 0.884 266 D CB 1.130 41.862 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 -0.174 0.000 0.764 268 L N -3.060 118.119 121.223 -0.074 0.000 2.642 268 L HA 0.169 4.510 4.340 0.002 0.000 0.233 268 L C 0.943 177.788 176.870 -0.043 0.000 1.077 268 L CA 0.507 55.313 54.840 -0.057 0.000 0.879 268 L CB -0.238 41.783 42.059 -0.063 0.000 1.151 268 L HN -0.071 nan 8.230 nan 0.000 0.495 269 T N -1.020 113.496 114.554 -0.063 0.000 3.332 269 T HA 0.443 4.794 4.350 0.002 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 -0.040 0.000 1.397 269 T CB 0.695 69.526 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 -0.202 0.000 1.294 270 P CA 0.540 63.544 63.100 -0.159 0.000 0.776 270 P CB 0.984 32.715 31.700 0.052 0.000 0.889 271 G N 2.310 110.823 108.800 -0.479 0.000 2.396 271 G HA2 -0.265 3.696 3.960 0.002 0.000 0.242 271 G HA3 -0.265 3.696 3.960 0.002 0.000 0.242 271 G C -0.359 174.052 174.900 -0.816 0.000 1.069 271 G CA -0.056 44.674 45.100 -0.618 0.000 0.633 271 G HN 0.489 nan 8.290 nan 0.000 0.517 272 Y N 0.856 121.081 120.300 -0.124 0.000 2.485 272 Y HA 0.622 5.173 4.550 0.002 0.000 0.345 272 Y C -2.253 173.539 175.900 -0.180 0.000 0.998 272 Y CA -2.715 55.310 58.100 -0.126 0.000 1.059 272 Y CB 1.452 39.868 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 -0.509 176.732 177.300 -0.099 0.000 1.208 273 P CA 0.056 63.063 63.100 -0.153 0.000 0.777 273 P CB 0.626 32.272 31.700 -0.090 0.000 0.875 274 A N 2.374 125.149 122.820 -0.076 0.000 3.105 274 A HA 0.087 4.408 4.320 0.002 0.000 0.272 274 A C 0.755 178.389 177.584 0.083 0.000 1.466 274 A CA -0.506 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 4.747 4.740 0.002 0.000 0.239 275 N C 0.309 175.737 175.510 -0.137 0.000 1.301 275 N CA -0.172 52.819 53.050 -0.098 0.000 0.909 275 N CB 0.698 39.017 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 -0.240 4.111 4.350 0.002 0.000 0.195 276 E C 1.037 177.680 176.600 0.071 0.000 0.992 276 E CA 1.622 58.045 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 0.798 nan 8.360 nan 0.000 0.458 277 Y N -0.777 119.543 120.300 0.032 0.000 2.461 277 Y HA 0.549 5.100 4.550 0.002 0.000 0.277 277 Y C 0.665 176.593 175.900 0.047 0.000 1.182 277 Y CA -0.442 57.678 58.100 0.034 0.000 1.276 277 Y CB -0.207 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 1.162 123.848 122.820 -0.222 0.000 2.387 278 A HA 0.139 4.460 4.320 0.002 0.000 0.251 278 A C -1.212 176.401 177.584 0.048 0.000 1.113 278 A CA -0.035 51.918 52.037 -0.140 0.000 0.794 278 A CB -0.206 18.705 19.000 -0.149 0.000 1.069 278 A HN 0.604 nan 8.150 nan 0.000 0.506 279 Y N 1.367 121.632 120.300 -0.058 0.000 2.376 279 Y HA 0.430 4.981 4.550 0.002 0.000 0.326 279 Y C 0.209 176.098 175.900 -0.018 0.000 0.970 279 Y CA -0.977 57.107 58.100 -0.026 0.000 1.248 279 Y CB 0.619 39.063 38.460 -0.027 0.000 1.117 279 Y HN 0.651 nan 8.280 nan 0.000 0.476 280 R N 4.599 124.837 120.500 -0.437 0.000 2.641 280 R HA 0.255 4.596 4.340 0.002 0.000 0.269 280 R C 0.932 176.955 176.300 -0.462 0.000 1.074 280 R CA -0.347 55.555 56.100 -0.330 0.000 1.133 280 R CB 0.659 30.827 30.300 -0.221 0.000 1.029 280 R HN 0.855 nan 8.270 nan 0.000 0.488 281 R N 0.596 120.973 120.500 -0.206 0.000 2.061 281 R HA -0.014 4.327 4.340 0.002 0.000 0.230 281 R C 0.318 176.546 176.300 -0.119 0.000 1.140 281 R CA 1.455 57.481 56.100 -0.122 0.000 0.940 281 R CB -0.094 30.190 30.300 -0.027 0.000 0.839 281 R HN 0.924 nan 8.270 nan 0.000 0.429 282 G N -0.116 108.629 108.800 -0.091 0.000 3.306 282 G HA2 -0.089 3.872 3.960 0.002 0.000 0.672 282 G HA3 -0.089 3.872 3.960 0.002 0.000 0.672 282 G C 0.220 175.108 174.900 -0.018 0.000 1.212 282 G CA -0.630 44.435 45.100 -0.058 0.000 1.150 282 G HN 0.069 nan 8.290 nan 0.000 0.509 283 I N 1.430 121.997 120.570 -0.005 0.000 2.600 283 I HA -0.423 3.748 4.170 0.002 0.000 0.230 283 I C 3.221 179.349 176.117 0.018 0.000 0.913 283 I CA 3.689 65.000 61.300 0.019 0.000 1.228 283 I CB -0.750 37.269 38.000 0.032 0.000 0.943 283 I HN 1.182 nan 8.210 nan 0.000 0.391 284 A N -0.578 122.251 122.820 0.016 0.000 1.884 284 A HA -0.254 4.067 4.320 0.002 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 -0.753 18.257 19.000 0.016 0.000 0.827 284 A HN 0.668 nan 8.150 nan 0.000 0.450 285 E N -0.099 120.108 120.200 0.012 0.000 2.349 285 E HA 0.486 4.837 4.350 0.002 0.000 0.201 285 E C 0.454 177.057 176.600 0.006 0.000 1.087 285 E CA -0.115 56.293 56.400 0.013 0.000 1.128 285 E CB 0.063 29.776 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 0.286 4.607 4.320 0.002 0.000 0.276 286 A C 0.326 177.898 177.584 -0.021 0.000 1.259 286 A CA -0.328 51.702 52.037 -0.013 0.000 0.813 286 A CB 0.513 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 0.278 120.164 119.914 -0.045 0.000 2.293 287 V HA 0.533 4.654 4.120 0.002 0.000 0.275 287 V C 1.029 177.076 176.094 -0.079 0.000 1.021 287 V CA 0.544 62.812 62.300 -0.054 0.000 0.815 287 V CB -0.128 31.660 31.823 -0.059 0.000 1.025 287 V HN 1.898 nan 8.190 nan 0.000 0.448 288 G N 4.630 113.398 108.800 -0.053 0.000 2.198 288 G HA2 -0.222 3.739 3.960 0.002 0.000 0.260 288 G HA3 -0.222 3.739 3.960 0.002 0.000 0.260 288 G C 0.051 174.923 174.900 -0.048 0.000 1.025 288 G CA 0.089 45.158 45.100 -0.052 0.000 0.769 288 G HN 0.574 nan 8.290 nan 0.000 0.507 289 L N 0.157 121.363 121.223 -0.028 0.000 2.417 289 L HA 0.354 4.695 4.340 0.002 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 -0.024 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 0.076 0.000 1.246 290 P CA -0.376 62.774 63.100 0.084 0.000 0.795 290 P CB 0.780 32.549 31.700 0.115 0.000 1.006 291 S N -0.059 115.680 115.700 0.065 0.000 2.559 291 S HA 0.257 4.728 4.470 0.002 0.000 0.226 291 S C 0.485 175.119 174.600 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 62.857 63.200 0.040 0.000 0.870 291 S HN 0.424 nan 8.310 nan 0.000 0.497 292 I N -1.350 119.260 120.570 0.068 0.000 2.752 292 I HA 0.614 4.785 4.170 0.002 0.000 0.295 292 I C -3.234 172.932 176.117 0.081 0.000 1.219 292 I CA -2.684 58.654 61.300 0.065 0.000 1.030 292 I CB 1.164 39.199 38.000 0.059 0.000 1.259 292 I HN -0.240 nan 8.210 nan 0.000 0.423 293 P HA 0.099 nan 4.420 nan 0.000 0.266 293 P C -0.659 176.706 177.300 0.109 0.000 1.186 293 P CA 0.239 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 3.113 123.110 119.914 0.138 0.000 2.808 294 V HA 0.424 4.545 4.120 0.002 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 2.086 33.996 31.823 0.144 0.000 1.014 294 V HN 0.736 nan 8.190 nan 0.000 0.425 295 H N 3.958 123.074 119.070 0.077 0.000 2.974 295 H HA 0.490 5.047 4.556 0.002 0.000 0.366 295 H C -3.064 172.292 175.328 0.047 0.000 1.155 295 H CA -1.746 54.345 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 0.268 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 62.618 63.100 -0.118 0.000 0.794 296 P CB 1.152 32.742 31.700 -0.183 0.000 0.940 297 I N 1.895 122.514 120.570 0.082 0.000 2.646 297 I HA 0.573 4.744 4.170 0.002 0.000 0.299 297 I C 0.565 176.753 176.117 0.118 0.000 1.036 297 I CA -0.450 60.932 61.300 0.136 0.000 1.074 297 I CB 1.887 39.980 38.000 0.156 0.000 1.258 297 I HN 0.366 nan 8.210 nan 0.000 0.430 298 G N 3.373 112.217 108.800 0.073 0.000 2.451 298 G HA2 0.282 4.243 3.960 0.002 0.000 0.303 298 G HA3 0.282 4.243 3.960 0.002 0.000 0.303 298 G C 0.184 175.090 174.900 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 -1.191 119.142 120.300 0.056 0.000 2.293 299 Y HA -0.051 4.500 4.550 0.002 0.000 0.291 299 Y C 2.132 178.085 175.900 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 0.915 121.119 120.300 -0.159 0.000 2.256 300 Y HA -0.260 4.291 4.550 0.002 0.000 0.288 300 Y C 2.235 178.094 175.900 -0.069 0.000 1.155 300 Y CA 0.848 58.900 58.100 -0.080 0.000 1.203 300 Y CB -0.072 38.307 38.460 -0.134 0.000 0.980 300 Y HN 0.313 nan 8.280 nan 0.000 0.530 301 D N -0.293 120.187 120.400 0.134 0.000 2.213 301 D HA -0.057 4.584 4.640 0.002 0.000 0.205 301 D C 2.096 178.451 176.300 0.093 0.000 0.961 301 D CA 0.754 54.850 54.000 0.160 0.000 0.853 301 D CB 0.228 41.125 40.800 0.162 0.000 0.967 301 D HN 0.310 nan 8.370 nan 0.000 0.496 302 A N 0.860 123.677 122.820 -0.005 0.000 1.929 302 A HA -0.167 4.154 4.320 0.002 0.000 0.216 302 A C 2.117 179.544 177.584 -0.263 0.000 1.176 302 A CA 1.129 53.045 52.037 -0.202 0.000 0.628 302 A CB -0.493 18.201 19.000 -0.510 0.000 0.816 302 A HN 0.226 nan 8.150 nan 0.000 0.444 303 Q N -0.136 119.550 119.800 -0.190 0.000 2.002 303 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 303 Q C 1.649 177.464 176.000 -0.309 0.000 0.988 303 Q CA 1.784 57.439 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 0.348 120.558 120.400 -0.317 0.000 2.228 304 K HA -0.157 4.164 4.320 0.002 0.000 0.205 304 K C 2.053 178.410 176.600 -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 -0.956 0.000 0.727 304 K HN 0.354 nan 8.250 nan 0.000 0.458 305 L N -0.339 120.757 121.223 -0.212 0.000 2.168 305 L HA -0.022 4.319 4.340 0.002 0.000 0.203 305 L C 2.167 178.867 176.870 -0.283 0.000 1.078 305 L CA 0.401 55.164 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 -0.325 120.704 121.223 -0.323 0.000 2.376 306 L HA -0.123 4.218 4.340 0.002 0.000 0.219 306 L C 2.412 179.009 176.870 -0.455 0.000 1.133 306 L CA 0.604 55.212 54.840 -0.386 0.000 0.816 306 L CB -0.359 41.393 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 4.111 4.350 0.002 0.000 0.195 307 E C 1.814 178.061 176.600 -0.588 0.000 1.002 307 E CA 1.352 57.458 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 4.241 4.320 0.002 0.000 0.198 308 K C 0.746 176.780 176.600 -0.943 0.000 1.042 308 K CA -0.032 55.570 56.287 -1.142 0.000 0.958 308 K CB -0.262 31.237 32.500 -1.668 0.000 0.766 308 K HN 0.179 nan 8.250 nan 0.000 0.474 309 M N 1.620 120.790 119.600 -0.717 0.000 2.504 309 M HA -0.055 4.426 4.480 0.002 0.000 0.378 309 M C 0.139 176.408 176.300 -0.052 0.000 1.706 309 M CA 0.464 55.637 55.300 -0.213 0.000 1.036 309 M CB 0.283 32.789 32.600 -0.156 0.000 2.129 309 M HN 0.106 nan 8.290 nan 0.000 0.474 310 G N 4.488 113.381 108.800 0.155 0.000 3.986 310 G HA2 0.558 4.519 3.960 0.002 0.000 0.343 310 G HA3 0.558 4.519 3.960 0.002 0.000 0.343 310 G C 0.239 175.211 174.900 0.120 0.000 1.413 310 G CA -0.254 44.912 45.100 0.110 0.000 1.143 310 G HN 0.990 nan 8.290 nan 0.000 0.488 311 G N 0.871 109.727 108.800 0.094 0.000 3.022 311 G HA2 0.677 4.638 3.960 0.002 0.000 0.157 311 G HA3 0.677 4.638 3.960 0.002 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 1.102 nan 8.290 nan 0.000 0.581 312 S N -2.183 113.551 115.700 0.057 0.000 2.806 312 S HA 0.641 5.112 4.470 0.002 0.000 0.306 312 S C 0.081 174.686 174.600 0.008 0.000 1.167 312 S CA 0.053 58.270 58.200 0.029 0.000 0.847 312 S CB 1.011 64.226 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 0.264 4.585 4.320 0.002 0.000 0.285 313 A C -2.394 175.132 177.584 -0.097 0.000 1.059 313 A CA -0.105 51.906 52.037 -0.044 0.000 0.977 313 A CB -1.552 17.419 19.000 -0.049 0.000 0.908 313 A HN 0.514 nan 8.150 nan 0.000 0.514 314 P HA 0.180 nan 4.420 nan 0.000 0.267 314 P C -1.667 175.438 177.300 -0.323 0.000 1.328 314 P CA -0.935 62.070 63.100 -0.158 0.000 0.990 314 P CB 0.382 32.098 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 -1.490 118.739 120.400 -0.285 0.000 2.414 316 D HA 0.052 4.693 4.640 0.002 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 -1.544 114.196 115.700 0.067 0.000 2.593 317 S HA -0.064 4.407 4.470 0.002 0.000 0.217 317 S C 1.549 176.212 174.600 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 -0.352 115.458 115.700 0.184 0.000 2.470 318 S HA 0.057 4.528 4.470 0.002 0.000 0.225 318 S C 0.805 175.507 174.600 0.169 0.000 1.006 318 S CA -0.293 58.017 58.200 0.184 0.000 0.934 318 S CB -0.863 62.476 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 0.314 4.975 4.660 0.002 0.000 0.258 319 W C 0.389 176.777 176.519 -0.218 0.000 1.330 319 W CA -0.790 56.517 57.345 -0.063 0.000 1.595 319 W CB -0.598 28.910 29.460 0.081 0.000 1.088 319 W HN 0.159 nan 8.180 nan 0.000 0.734 320 R N -0.032 120.339 120.500 -0.216 0.000 2.246 320 R HA 0.393 4.734 4.340 0.002 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 -0.729 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 1.349 108.931 108.800 -2.029 0.000 3.474 321 G HA2 -0.036 3.925 3.960 0.002 0.000 0.269 321 G HA3 -0.036 3.925 3.960 0.002 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 4.249 4.470 0.002 0.000 0.370 322 S C 0.414 175.057 174.600 0.070 0.000 1.028 322 S CA 0.716 58.928 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 4.764 4.340 0.002 0.000 0.268 323 L C 1.298 178.144 176.870 -0.041 0.000 1.032 323 L CA -1.106 53.756 54.840 0.037 0.000 0.805 323 L CB 0.682 42.728 42.059 -0.022 0.000 1.253 323 L HN 0.191 nan 8.230 nan 0.000 0.452 324 K N 0.800 121.144 120.400 -0.092 0.000 3.156 324 K HA 0.139 4.460 4.320 0.002 0.000 0.276 324 K C -0.575 175.924 176.600 -0.168 0.000 0.852 324 K CA 0.065 56.287 56.287 -0.108 0.000 1.083 324 K CB -0.314 32.121 32.500 -0.109 0.000 1.018 324 K HN 0.201 nan 8.250 nan 0.000 0.444 325 V N 0.982 120.765 119.914 -0.218 0.000 3.204 325 V HA 0.269 4.390 4.120 0.002 0.000 0.298 325 V C -2.612 173.269 176.094 -0.356 0.000 1.328 325 V CA -2.023 60.092 62.300 -0.308 0.000 1.035 325 V CB 2.704 34.277 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 -1.495 175.618 177.300 -0.311 0.000 1.269 326 P CA -0.129 62.861 63.100 -0.183 0.000 0.787 326 P CB 0.397 32.031 31.700 -0.110 0.000 0.920 327 Y N 2.048 122.258 120.300 -0.150 0.000 2.594 327 Y HA 0.144 4.696 4.550 0.002 0.000 0.344 327 Y C 1.070 176.929 175.900 -0.068 0.000 1.185 327 Y CA 0.182 58.149 58.100 -0.222 0.000 1.565 327 Y CB -0.436 37.849 38.460 -0.291 0.000 1.415 327 Y HN 0.212 nan 8.280 nan 0.000 0.488 328 N N 1.605 120.307 118.700 0.002 0.000 2.438 328 N HA 0.206 4.947 4.740 0.002 0.000 0.282 328 N C 0.636 176.278 175.510 0.220 0.000 1.037 328 N CA -0.119 52.988 53.050 0.094 0.000 0.942 328 N CB 2.238 40.745 38.487 0.033 0.000 1.136 328 N HN 0.295 nan 8.380 nan 0.000 0.481 329 V N 1.550 121.624 119.914 0.266 0.000 2.278 329 V HA 0.041 4.162 4.120 0.002 0.000 0.238 329 V C 1.544 177.775 176.094 0.229 0.000 1.039 329 V CA 0.892 63.394 62.300 0.336 0.000 1.017 329 V CB -1.120 30.847 31.823 0.240 0.000 0.657 329 V HN 0.837 nan 8.190 nan 0.000 0.462 330 G N 2.107 110.998 108.800 0.150 0.000 2.754 330 G HA2 -0.091 3.870 3.960 0.002 0.000 0.228 330 G HA3 -0.091 3.870 3.960 0.002 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 1.278 64.429 63.100 0.085 0.000 0.781 331 P CB 0.235 31.971 31.700 0.060 0.000 0.877 332 G N 0.580 109.382 108.800 0.004 0.000 2.681 332 G HA2 -0.246 3.715 3.960 0.002 0.000 0.320 332 G HA3 -0.246 3.715 3.960 0.002 0.000 0.320 332 G C -0.417 174.571 174.900 0.146 0.000 1.339 332 G CA -0.435 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 -0.222 119.763 119.950 0.058 0.000 2.518 333 F HA 0.717 5.245 4.527 0.002 0.000 0.338 333 F C 1.162 177.010 175.800 0.080 0.000 1.065 333 F CA -0.398 57.634 58.000 0.053 0.000 1.012 333 F CB 2.360 41.407 39.000 0.078 0.000 1.297 333 F HN 0.811 nan 8.300 nan 0.000 0.489 334 T N -1.950 112.783 114.554 0.297 0.000 2.907 334 T HA 0.758 5.109 4.350 0.002 0.000 0.290 334 T C 0.102 174.943 174.700 0.234 0.000 1.066 334 T CA -0.215 62.006 62.100 0.202 0.000 1.012 334 T CB 1.358 70.298 68.868 0.121 0.000 1.184 334 T HN 1.232 nan 8.240 nan 0.000 0.522 335 G N 1.822 110.716 108.800 0.157 0.000 2.550 335 G HA2 -0.367 3.594 3.960 0.002 0.000 0.277 335 G HA3 -0.367 3.594 3.960 0.002 0.000 0.277 335 G C 0.869 175.828 174.900 0.098 0.000 1.190 335 G CA 0.501 45.681 45.100 0.132 0.000 0.971 335 G HN 1.007 nan 8.290 nan 0.000 0.559 336 N N 0.408 119.125 118.700 0.028 0.000 2.430 336 N HA -0.051 4.689 4.740 0.002 0.000 0.186 336 N C 0.359 175.661 175.510 -0.348 0.000 1.032 336 N CA 1.225 54.142 53.050 -0.222 0.000 0.893 336 N CB -0.270 37.972 38.487 -0.410 0.000 0.957 336 N HN 0.379 nan 8.380 nan 0.000 0.442 337 F N -0.065 119.925 119.950 0.067 0.000 2.291 337 F HA 0.322 4.850 4.527 0.002 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 40.597 39.000 0.170 0.000 1.429 337 F HN -0.200 nan 8.300 nan 0.000 0.503 338 S N 0.451 116.281 115.700 0.215 0.000 2.882 338 S HA -0.009 4.462 4.470 0.002 0.000 0.258 338 S C 1.694 176.345 174.600 0.084 0.000 1.081 338 S CA 0.420 58.705 58.200 0.143 0.000 0.886 338 S CB 0.104 63.355 63.200 0.085 0.000 0.855 338 S HN 0.503 nan 8.310 nan 0.000 0.467 339 T N 2.748 117.345 114.554 0.071 0.000 3.113 339 T HA 0.191 4.542 4.350 0.002 0.000 0.256 339 T C 0.369 175.098 174.700 0.048 0.000 1.131 339 T CA 0.299 62.423 62.100 0.040 0.000 1.074 339 T CB -0.052 68.834 68.868 0.029 0.000 0.944 339 T HN 0.307 nan 8.240 nan 0.000 0.516 340 Q N 2.015 121.885 119.800 0.117 0.000 2.311 340 Q HA 0.332 4.673 4.340 0.002 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 29.815 28.738 0.588 0.000 1.201 340 Q HN 0.427 nan 8.270 nan 0.000 0.391 341 K N 0.421 120.752 120.400 -0.114 0.000 2.542 341 K HA 0.325 4.646 4.320 0.002 0.000 0.259 341 K C -0.805 175.763 176.600 -0.052 0.000 0.932 341 K CA -0.702 55.444 56.287 -0.235 0.000 0.820 341 K CB 2.053 34.473 32.500 -0.133 0.000 1.345 341 K HN 0.467 nan 8.250 nan 0.000 0.432 342 V N -0.643 119.243 119.914 -0.047 0.000 2.649 342 V HA 0.496 4.617 4.120 0.002 0.000 0.292 342 V C -0.295 175.836 176.094 0.061 0.000 1.055 342 V CA -0.264 62.087 62.300 0.085 0.000 1.023 342 V CB 1.116 33.022 31.823 0.138 0.000 0.992 342 V HN 0.746 nan 8.190 nan 0.000 0.480 343 K N 4.793 125.254 120.400 0.100 0.000 2.426 343 K HA 0.638 4.959 4.320 0.002 0.000 0.254 343 K C -0.899 175.768 176.600 0.112 0.000 0.936 343 K CA -0.800 55.532 56.287 0.075 0.000 0.801 343 K CB 1.837 34.403 32.500 0.109 0.000 1.139 343 K HN 0.902 nan 8.250 nan 0.000 0.424 344 M N 3.749 123.342 119.600 -0.013 0.000 2.264 344 M HA 0.274 4.755 4.480 0.002 0.000 0.352 344 M C -0.492 175.674 176.300 -0.224 0.000 1.173 344 M CA -0.424 54.846 55.300 -0.050 0.000 1.075 344 M CB 1.293 33.863 32.600 -0.050 0.000 1.621 344 M HN 0.435 nan 8.290 nan 0.000 0.457 345 H N 4.568 123.314 119.070 -0.539 0.000 2.786 345 H HA 0.489 5.046 4.556 0.002 0.000 0.284 345 H C -1.104 173.769 175.328 -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 4.004 124.271 120.570 -0.505 0.000 2.418 346 I HA 0.139 4.310 4.170 0.002 0.000 0.287 346 I C -0.186 175.748 176.117 -0.305 0.000 1.008 346 I CA -0.675 60.426 61.300 -0.332 0.000 1.104 346 I CB 1.378 39.337 38.000 -0.068 0.000 1.264 346 I HN 0.583 nan 8.210 nan 0.000 0.438 347 H N 4.075 123.166 119.070 0.035 0.000 2.551 347 H HA 0.379 4.936 4.556 0.002 0.000 0.238 347 H C -0.485 174.863 175.328 0.033 0.000 1.345 347 H CA -0.363 55.712 56.048 0.045 0.000 1.105 347 H CB 0.559 30.373 29.762 0.086 0.000 1.805 347 H HN 0.350 nan 8.280 nan 0.000 0.553 348 S N 1.229 116.989 115.700 0.099 0.000 2.617 348 S HA 0.521 4.992 4.470 0.002 0.000 0.283 348 S C 0.634 175.261 174.600 0.045 0.000 1.189 348 S CA -0.616 57.608 58.200 0.039 0.000 1.036 348 S CB 1.881 65.080 63.200 -0.003 0.000 1.014 348 S HN 0.532 nan 8.310 nan 0.000 0.522 349 T N 0.225 114.793 114.554 0.023 0.000 2.887 349 T HA 0.504 4.855 4.350 0.002 0.000 0.288 349 T C -0.864 173.836 174.700 -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 2.345 121.049 118.700 0.008 0.000 2.426 350 N HA 0.356 5.097 4.740 0.002 0.000 0.275 350 N C -0.583 174.926 175.510 -0.001 0.000 1.019 350 N CA -0.399 52.641 53.050 -0.017 0.000 0.941 350 N CB 1.625 40.154 38.487 0.069 0.000 1.123 350 N HN 0.696 nan 8.380 nan 0.000 0.486 351 E N 0.534 120.717 120.200 -0.027 0.000 2.293 351 E HA 0.316 4.667 4.350 0.002 0.000 0.270 351 E C -0.691 175.903 176.600 -0.010 0.000 0.879 351 E CA -0.909 55.495 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 2.532 122.444 119.914 -0.004 0.000 2.415 352 V HA 0.153 4.274 4.120 0.002 0.000 0.267 352 V C 0.011 176.094 176.094 -0.018 0.000 1.042 352 V CA 0.094 62.385 62.300 -0.014 0.000 1.000 352 V CB 0.329 32.142 31.823 -0.018 0.000 1.015 352 V HN 0.629 nan 8.190 nan 0.000 0.478 353 T N 4.978 119.513 114.554 -0.031 0.000 2.856 353 T HA 0.501 4.852 4.350 0.002 0.000 0.283 353 T C 0.010 174.672 174.700 -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 70.525 68.868 -0.003 0.000 0.992 353 T HN 0.689 nan 8.240 nan 0.000 0.454 354 R N 3.009 123.450 120.500 -0.097 0.000 2.442 354 R HA 0.483 4.824 4.340 0.002 0.000 0.291 354 R C -0.246 175.915 176.300 -0.231 0.000 1.069 354 R CA -0.239 55.732 56.100 -0.214 0.000 1.022 354 R CB -0.186 29.928 30.300 -0.309 0.000 0.976 354 R HN 0.721 nan 8.270 nan 0.000 0.443 355 I N 0.619 121.015 120.570 -0.289 0.000 2.785 355 I HA 0.535 4.706 4.170 0.002 0.000 0.302 355 I C -1.377 174.563 176.117 -0.295 0.000 1.069 355 I CA -1.347 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 2.082 122.393 120.300 0.018 0.000 2.425 356 Y HA 0.522 5.073 4.550 0.002 0.000 0.344 356 Y C -0.414 175.529 175.900 0.073 0.000 0.969 356 Y CA -0.944 57.178 58.100 0.036 0.000 1.052 356 Y CB 1.686 40.152 38.460 0.011 0.000 1.215 356 Y HN 0.492 nan 8.280 nan 0.000 0.451 357 N N 1.429 120.252 118.700 0.205 0.000 2.372 357 N HA 0.439 5.180 4.740 0.002 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 2.448 41.035 38.487 0.167 0.000 1.239 357 N HN 0.323 nan 8.380 nan 0.000 0.484 358 V N 3.746 123.588 119.914 -0.120 0.000 2.498 358 V HA 0.407 4.528 4.120 0.002 0.000 0.279 358 V C 0.466 176.511 176.094 -0.080 0.000 1.048 358 V CA -0.327 61.886 62.300 -0.144 0.000 0.967 358 V CB 0.798 32.388 31.823 -0.388 0.000 0.988 358 V HN 0.480 nan 8.190 nan 0.000 0.473 359 I N 4.716 125.302 120.570 0.027 0.000 2.466 359 I HA 0.408 4.579 4.170 0.002 0.000 0.279 359 I C 0.755 176.998 176.117 0.210 0.000 1.033 359 I CA -0.204 61.123 61.300 0.044 0.000 1.123 359 I CB 1.502 39.455 38.000 -0.078 0.000 1.237 359 I HN 0.714 nan 8.210 nan 0.000 0.460 360 G N 3.763 112.785 108.800 0.370 0.000 2.420 360 G HA2 0.594 4.555 3.960 0.002 0.000 0.284 360 G HA3 0.594 4.555 3.960 0.002 0.000 0.284 360 G C -0.459 174.551 174.900 0.183 0.000 1.177 360 G CA -0.018 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 1.026 115.670 114.554 0.149 0.000 2.921 361 T HA 0.393 4.744 4.350 0.002 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 1.663 70.549 68.868 0.031 0.000 1.023 361 T HN 0.370 nan 8.240 nan 0.000 0.447 362 L N 3.741 124.972 121.223 0.014 0.000 2.353 362 L HA 0.499 4.840 4.340 0.002 0.000 0.270 362 L C 0.309 177.132 176.870 -0.077 0.000 1.003 362 L CA -0.631 54.211 54.840 0.003 0.000 0.862 362 L CB 0.811 42.890 42.059 0.033 0.000 1.221 362 L HN 0.565 nan 8.230 nan 0.000 0.430 363 R N 2.961 123.431 120.500 -0.051 0.000 2.537 363 R HA 0.259 4.599 4.340 0.002 0.000 0.281 363 R C 0.432 176.659 176.300 -0.121 0.000 0.988 363 R CA 0.674 56.739 56.100 -0.058 0.000 1.077 363 R CB 0.351 30.632 30.300 -0.031 0.000 0.932 363 R HN 0.863 nan 8.270 nan 0.000 0.409 364 G N 1.698 110.434 108.800 -0.107 0.000 2.683 364 G HA2 0.292 4.253 3.960 0.002 0.000 0.260 364 G HA3 0.292 4.253 3.960 0.002 0.000 0.260 364 G C 0.350 175.151 174.900 -0.165 0.000 1.238 364 G CA 0.091 45.091 45.100 -0.166 0.000 0.934 364 G HN 0.771 nan 8.290 nan 0.000 0.534 365 A N -1.401 121.300 122.820 -0.198 0.000 2.055 365 A HA 0.434 4.755 4.320 0.002 0.000 0.205 365 A C 1.872 179.387 177.584 -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 -0.421 119.424 119.914 -0.114 0.000 2.840 366 V HA 0.106 4.227 4.120 0.002 0.000 0.234 366 V C 0.506 176.560 176.094 -0.068 0.000 1.159 366 V CA 0.461 62.712 62.300 -0.080 0.000 1.194 366 V CB -0.266 31.511 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 4.561 4.350 0.002 0.000 0.232 367 E C -2.116 174.446 176.600 -0.064 0.000 1.091 367 E CA -1.533 54.825 56.400 -0.071 0.000 1.050 367 E CB 1.083 30.735 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 0.745 178.071 177.300 0.045 0.000 1.158 368 P CA 0.911 64.016 63.100 0.009 0.000 0.769 368 P CB 0.192 31.898 31.700 0.009 0.000 0.807 369 D N -1.905 118.461 120.400 -0.057 0.000 2.340 369 D HA -0.027 4.614 4.640 0.002 0.000 0.220 369 D C 0.413 176.454 176.300 -0.432 0.000 1.039 369 D CA 0.329 54.221 54.000 -0.179 0.000 0.866 369 D CB -0.004 40.724 40.800 -0.119 0.000 0.913 369 D HN 0.082 nan 8.370 nan 0.000 0.523 370 R N 0.783 121.114 120.500 -0.280 0.000 2.295 370 R HA 0.321 4.662 4.340 0.002 0.000 0.324 370 R C -0.812 175.424 176.300 -0.107 0.000 0.968 370 R CA -0.547 55.380 56.100 -0.287 0.000 0.837 370 R CB 1.065 31.267 30.300 -0.163 0.000 1.133 370 R HN 0.179 nan 8.270 nan 0.000 0.450 371 Y N 1.313 121.587 120.300 -0.045 0.000 2.330 371 Y HA 0.399 4.950 4.550 0.002 0.000 0.336 371 Y C 0.428 176.304 175.900 -0.040 0.000 1.036 371 Y CA -1.263 56.813 58.100 -0.039 0.000 1.125 371 Y CB 2.030 40.501 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 4.434 4.120 0.002 0.000 0.288 372 V C -0.378 175.681 176.094 -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 5.969 126.553 120.570 0.023 0.000 2.377 373 I HA 0.474 4.645 4.170 0.002 0.000 0.293 373 I C -0.432 175.678 176.117 -0.011 0.000 0.987 373 I CA -0.914 60.399 61.300 0.021 0.000 1.185 373 I CB 1.564 39.698 38.000 0.223 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 0.887 5.228 4.340 0.002 0.000 0.280 374 L C -0.227 176.724 176.870 0.134 0.000 1.006 374 L CA 0.247 55.087 54.840 -0.000 0.000 0.836 374 L CB 1.261 43.386 42.059 0.110 0.000 1.221 374 L HN 0.725 nan 8.230 nan 0.000 0.418 375 G N 2.256 111.179 108.800 0.205 0.000 2.696 375 G HA2 0.754 4.715 3.960 0.002 0.000 0.295 375 G HA3 0.754 4.715 3.960 0.002 0.000 0.295 375 G C -1.231 173.990 174.900 0.535 0.000 1.398 375 G CA -0.280 45.068 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 4.597 3.960 0.002 0.000 0.293 376 G HA3 0.636 4.597 3.960 0.002 0.000 0.293 376 G C -0.834 174.364 174.900 0.496 0.000 1.437 376 G CA -0.691 44.726 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 5.206 4.556 0.002 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 31.536 29.762 0.271 0.000 1.474 377 H HN 0.507 nan 8.280 nan 0.000 0.596 378 R N 1.692 122.242 120.500 0.083 0.000 2.310 378 R HA -0.029 4.312 4.340 0.002 0.000 0.199 378 R C -0.548 175.728 176.300 -0.039 0.000 0.891 378 R CA 0.327 56.360 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 2.752 123.226 120.400 0.122 0.000 2.487 379 D HA -0.020 4.621 4.640 0.002 0.000 0.243 379 D C -0.395 175.976 176.300 0.118 0.000 1.154 379 D CA 0.270 54.346 54.000 0.125 0.000 0.876 379 D CB 1.103 41.991 40.800 0.147 0.000 1.161 379 D HN 0.276 nan 8.370 nan 0.000 0.478 380 S N 1.848 117.564 115.700 0.027 0.000 2.798 380 S HA 0.409 4.880 4.470 0.002 0.000 0.312 380 S C 0.400 174.870 174.600 -0.216 0.000 1.122 380 S CA -1.001 57.175 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 -0.507 120.700 121.300 -0.155 0.000 2.762 381 W HA 0.245 4.906 4.660 0.002 0.000 0.265 381 W C 1.611 178.006 176.519 -0.207 0.000 1.263 381 W CA 0.743 57.949 57.345 -0.232 0.000 1.411 381 W CB 0.458 29.655 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 4.404 4.120 0.002 0.000 0.132 382 V C 0.712 176.428 176.094 -0.630 0.000 1.227 382 V CA 0.092 62.158 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 1.688 121.604 119.950 -0.057 0.000 2.640 383 F HA 0.730 5.258 4.527 0.002 0.000 0.285 383 F C 1.753 177.574 175.800 0.036 0.000 1.031 383 F CA 0.731 58.697 58.000 -0.057 0.000 1.240 383 F CB 0.840 39.758 39.000 -0.137 0.000 1.011 383 F HN 0.598 nan 8.300 nan 0.000 0.656 384 G N 1.049 109.967 108.800 0.197 0.000 2.303 384 G HA2 -0.175 3.786 3.960 0.002 0.000 0.260 384 G HA3 -0.175 3.786 3.960 0.002 0.000 0.260 384 G C 1.102 176.112 174.900 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 -0.269 108.622 108.800 0.151 0.000 2.553 385 G HA2 -0.124 3.837 3.960 0.002 0.000 0.218 385 G HA3 -0.124 3.837 3.960 0.002 0.000 0.218 385 G C 1.647 176.599 174.900 0.086 0.000 1.195 385 G CA 1.656 46.825 45.100 0.116 0.000 0.779 385 G HN 0.710 nan 8.290 nan 0.000 0.577 386 I N -0.229 120.349 120.570 0.014 0.000 3.649 386 I HA 0.148 4.319 4.170 0.002 0.000 0.234 386 I C 0.462 176.649 176.117 0.116 0.000 1.053 386 I CA -0.097 61.188 61.300 -0.025 0.000 1.538 386 I CB -0.275 37.547 38.000 -0.297 0.000 1.445 386 I HN 0.008 nan 8.210 nan 0.000 0.464 387 D N 3.393 123.927 120.400 0.223 0.000 2.346 387 D HA 0.062 4.703 4.640 0.002 0.000 0.260 387 D C -1.898 174.499 176.300 0.162 0.000 1.252 387 D CA -1.847 52.317 54.000 0.274 0.000 0.895 387 D CB 1.102 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 31.948 31.700 -0.906 0.000 1.462 389 Q N 0.878 120.723 119.800 0.075 0.000 2.217 389 Q HA -0.155 4.186 4.340 0.002 0.000 0.209 389 Q C 2.339 178.517 176.000 0.296 0.000 0.988 389 Q CA 2.099 58.029 55.803 0.213 0.000 0.878 389 Q CB -1.509 27.410 28.738 0.302 0.000 0.909 389 Q HN 0.198 nan 8.270 nan 0.000 0.424 390 S N -1.359 114.489 115.700 0.247 0.000 2.469 390 S HA -0.088 4.383 4.470 0.002 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 -0.134 108.772 108.800 0.178 0.000 2.641 391 G HA2 0.354 4.315 3.960 0.002 0.000 0.207 391 G HA3 0.354 4.315 3.960 0.002 0.000 0.207 391 G C 1.597 176.630 174.900 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 0.196 4.517 4.320 0.002 0.000 0.220 392 A C 2.694 180.529 177.584 0.417 0.000 1.171 392 A CA 2.355 54.532 52.037 0.234 0.000 0.640 392 A CB -0.612 18.414 19.000 0.044 0.000 0.811 392 A HN 0.742 nan 8.150 nan 0.000 0.451 393 A N -0.588 122.526 122.820 0.490 0.000 1.897 393 A HA 0.077 4.398 4.320 0.002 0.000 0.215 393 A C 2.209 180.062 177.584 0.448 0.000 1.181 393 A CA 1.587 53.929 52.037 0.508 0.000 0.620 393 A CB -0.848 18.432 19.000 0.466 0.000 0.821 393 A HN 0.402 nan 8.150 nan 0.000 0.443 394 V N -0.287 119.843 119.914 0.361 0.000 2.255 394 V HA -0.257 3.864 4.120 0.002 0.000 0.247 394 V C 2.531 178.777 176.094 0.253 0.000 1.051 394 V CA 2.036 64.502 62.300 0.277 0.000 1.018 394 V CB -1.174 30.771 31.823 0.203 0.000 0.641 394 V HN 0.339 nan 8.190 nan 0.000 0.445 395 V N -0.245 119.830 119.914 0.269 0.000 2.231 395 V HA -0.372 3.749 4.120 0.002 0.000 0.248 395 V C 2.459 178.682 176.094 0.215 0.000 1.054 395 V CA 2.624 65.075 62.300 0.252 0.000 1.015 395 V CB -0.974 31.029 31.823 0.299 0.000 0.638 395 V HN 0.656 nan 8.190 nan 0.000 0.444 396 H N -0.450 118.746 119.070 0.210 0.000 2.321 396 H HA -0.264 4.293 4.556 0.002 0.000 0.295 396 H C 2.478 177.798 175.328 -0.014 0.000 1.102 396 H CA 2.446 58.582 56.048 0.147 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 0.817 121.143 120.200 0.211 0.000 2.072 397 E HA -0.101 4.250 4.350 0.002 0.000 0.191 397 E C 2.479 179.036 176.600 -0.073 0.000 0.985 397 E CA 1.075 57.581 56.400 0.178 0.000 0.801 397 E CB -0.481 29.367 29.700 0.246 0.000 0.750 397 E HN 0.521 nan 8.360 nan 0.000 0.452 398 I N -0.080 120.476 120.570 -0.023 0.000 2.194 398 I HA -0.292 3.879 4.170 0.002 0.000 0.246 398 I C 2.126 178.203 176.117 -0.066 0.000 1.093 398 I CA 1.011 62.302 61.300 -0.015 0.000 1.355 398 I CB -0.203 37.901 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 -0.243 3.877 4.120 0.002 0.000 0.245 399 V C 2.610 178.527 176.094 -0.295 0.000 1.043 399 V CA 1.588 63.540 62.300 -0.580 0.000 1.014 399 V CB -0.853 30.315 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 4.115 4.340 0.002 0.000 0.246 400 R C 2.649 178.743 176.300 -0.343 0.000 1.146 400 R CA 2.260 57.853 56.100 -0.845 0.000 0.962 400 R CB -0.777 28.755 30.300 -1.280 0.000 0.863 400 R HN 0.536 nan 8.270 nan 0.000 0.442 401 S N -0.453 115.100 115.700 -0.246 0.000 2.338 401 S HA -0.097 4.374 4.470 0.002 0.000 0.218 401 S C 2.013 176.666 174.600 0.089 0.000 1.032 401 S CA 1.206 59.302 58.200 -0.173 0.000 0.999 401 S CB -0.407 62.536 63.200 -0.429 0.000 0.905 401 S HN 0.421 nan 8.310 nan 0.000 0.439 402 F N 1.612 121.740 119.950 0.297 0.000 2.120 402 F HA -0.081 4.447 4.527 0.001 0.000 0.300 402 F C 2.634 178.579 175.800 0.242 0.000 1.095 402 F CA 0.785 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 -0.738 108.248 108.800 0.311 0.000 2.459 403 G HA2 -0.271 3.690 3.960 0.002 0.000 0.217 403 G HA3 -0.271 3.690 3.960 0.002 0.000 0.217 403 G C 1.613 176.636 174.900 0.205 0.000 1.183 403 G CA 1.488 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 0.975 115.597 114.554 0.115 0.000 2.685 404 T HA -0.116 4.235 4.350 0.002 0.000 0.268 404 T C 2.319 177.094 174.700 0.125 0.000 1.034 404 T CA 1.122 63.267 62.100 0.075 0.000 1.149 404 T CB -0.203 68.655 68.868 -0.016 0.000 0.860 404 T HN 0.133 nan 8.240 nan 0.000 0.449 405 L N 0.165 121.496 121.223 0.180 0.000 2.156 405 L HA 0.006 4.347 4.340 0.002 0.000 0.208 405 L C 2.731 179.850 176.870 0.414 0.000 1.095 405 L CA 1.115 56.081 54.840 0.210 0.000 0.770 405 L CB -0.268 41.836 42.059 0.076 0.000 0.914 405 L HN 0.171 nan 8.230 nan 0.000 0.439 406 K N 0.395 121.072 120.400 0.461 0.000 2.097 406 K HA -0.182 4.139 4.320 0.002 0.000 0.205 406 K C 1.988 178.751 176.600 0.272 0.000 1.050 406 K CA 1.172 57.710 56.287 0.419 0.000 0.938 406 K CB 0.143 32.831 32.500 0.313 0.000 0.718 406 K HN 0.232 nan 8.250 nan 0.000 0.442 407 K N 0.573 121.104 120.400 0.218 0.000 2.209 407 K HA -0.124 4.197 4.320 0.002 0.000 0.204 407 K C 1.498 178.188 176.600 0.150 0.000 1.048 407 K CA 1.195 57.578 56.287 0.159 0.000 0.940 407 K CB 0.063 32.643 32.500 0.134 0.000 0.729 407 K HN 0.263 nan 8.250 nan 0.000 0.451 408 E N -0.218 120.087 120.200 0.176 0.000 2.511 408 E HA -0.006 4.345 4.350 0.002 0.000 0.196 408 E C 0.328 177.041 176.600 0.188 0.000 1.066 408 E CA 0.231 56.729 56.400 0.163 0.000 0.871 408 E CB 0.301 30.099 29.700 0.163 0.000 0.863 408 E HN 0.446 nan 8.360 nan 0.000 0.520 409 G N 1.692 110.618 108.800 0.209 0.000 2.270 409 G HA2 -0.225 3.736 3.960 0.002 0.000 0.224 409 G HA3 -0.225 3.736 3.960 0.002 0.000 0.224 409 G C -0.876 174.180 174.900 0.261 0.000 1.079 409 G CA 0.044 45.257 45.100 0.189 0.000 0.807 409 G HN 0.281 nan 8.290 nan 0.000 0.492 410 W N 0.694 122.049 121.300 0.091 0.000 2.950 410 W HA 0.828 5.489 4.660 0.001 0.000 0.340 410 W C -0.384 176.179 176.519 0.074 0.000 1.139 410 W CA -1.266 56.134 57.345 0.092 0.000 1.188 410 W CB 1.279 30.827 29.460 0.147 0.000 1.426 410 W HN 0.261 nan 8.180 nan 0.000 0.531 411 R N 3.494 123.347 120.500 -1.078 0.000 2.740 411 R HA 0.446 4.787 4.340 0.002 0.000 0.273 411 R C -2.711 172.535 176.300 -1.757 0.000 0.998 411 R CA -1.961 53.411 56.100 -1.213 0.000 0.900 411 R CB 1.840 31.822 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 -0.502 62.091 63.100 -0.846 0.000 0.790 412 P CB 0.927 32.267 31.700 -0.600 0.000 0.951 413 R N 1.663 121.961 120.500 -0.337 0.000 2.082 413 R HA -0.085 4.256 4.340 0.002 0.000 0.234 413 R C 0.682 176.861 176.300 -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 -0.291 120.091 120.500 -0.197 0.000 2.553 414 R HA 0.206 4.547 4.340 0.002 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 1.432 31.655 30.300 -0.129 0.000 1.148 414 R HN 0.089 nan 8.270 nan 0.000 0.558 415 T N 1.989 116.502 114.554 -0.069 0.000 2.897 415 T HA 0.317 4.668 4.350 0.002 0.000 0.294 415 T C 0.232 174.852 174.700 -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 69.304 68.868 0.096 0.000 0.949 415 T HN 0.251 nan 8.240 nan 0.000 0.520 416 I N 3.546 123.955 120.570 -0.268 0.000 2.404 416 I HA 0.410 4.581 4.170 0.002 0.000 0.293 416 I C -0.495 175.294 176.117 -0.546 0.000 0.992 416 I CA -0.758 60.265 61.300 -0.463 0.000 1.149 416 I CB 1.419 39.000 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 0.532 4.873 4.340 0.002 0.000 0.278 417 L C -1.144 175.392 176.870 -0.557 0.000 1.005 417 L CA -0.546 54.033 54.840 -0.435 0.000 0.818 417 L CB 1.592 43.512 42.059 -0.232 0.000 1.259 417 L HN 0.396 nan 8.230 nan 0.000 0.418 418 F N 1.893 121.722 119.950 -0.202 0.000 2.458 418 F HA 0.729 5.257 4.527 0.001 0.000 0.336 418 F C 0.411 176.093 175.800 -0.197 0.000 1.114 418 F CA -0.592 57.245 58.000 -0.272 0.000 0.987 418 F CB 1.883 40.500 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 5.012 4.320 0.002 0.000 0.310 419 A C -0.751 176.615 177.584 -0.363 0.000 1.075 419 A CA -0.711 51.043 52.037 -0.471 0.000 0.746 419 A CB 1.692 19.783 19.000 -1.516 0.000 1.277 419 A HN 0.570 nan 8.150 nan 0.000 0.425 420 S N 1.815 117.304 115.700 -0.353 0.000 2.406 420 S HA 0.436 4.907 4.470 0.002 0.000 0.224 420 S C -0.807 173.673 174.600 -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 0.509 nan 8.310 nan 0.000 0.479 421 W N 2.413 123.803 121.300 0.149 0.000 2.148 421 W HA 0.314 4.975 4.660 0.002 0.000 0.347 421 W C 0.849 177.454 176.519 0.143 0.000 1.288 421 W CA -0.216 57.216 57.345 0.145 0.000 1.252 421 W CB 0.321 29.895 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 5.095 4.640 0.002 0.000 0.245 422 D C 0.439 176.877 176.300 0.230 0.000 1.038 422 D CA -0.001 54.159 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 0.838 123.765 122.820 0.178 0.000 2.822 423 A HA -0.281 4.040 4.320 0.002 0.000 0.279 423 A C 1.605 179.286 177.584 0.162 0.000 1.356 423 A CA 1.764 53.909 52.037 0.181 0.000 0.961 423 A CB -1.794 17.276 19.000 0.115 0.000 0.977 423 A HN 0.628 nan 8.150 nan 0.000 0.650 424 E N 0.284 120.532 120.200 0.079 0.000 2.160 424 E HA -0.218 4.133 4.350 0.002 0.000 0.195 424 E C 1.524 178.043 176.600 -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 -0.724 119.360 120.200 -0.193 0.000 2.418 425 E HA -0.108 4.243 4.350 0.002 0.000 0.197 425 E C 1.065 177.524 176.600 -0.235 0.000 1.026 425 E CA 0.346 56.578 56.400 -0.280 0.000 0.862 425 E CB -0.175 29.013 29.700 -0.853 0.000 0.799 425 E HN 0.317 nan 8.360 nan 0.000 0.518 426 F N 0.189 120.123 119.950 -0.026 0.000 2.660 426 F HA 0.288 4.816 4.527 0.002 0.000 0.302 426 F C 1.168 177.050 175.800 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 40.131 39.000 0.168 0.000 1.048 426 F HN -0.010 nan 8.300 nan 0.000 0.551 427 G N -0.022 108.854 108.800 0.127 0.000 2.245 427 G HA2 -0.124 3.837 3.960 0.002 0.000 0.116 427 G HA3 -0.124 3.837 3.960 0.002 0.000 0.116 427 G C 0.485 175.351 174.900 -0.057 0.000 1.054 427 G CA -0.402 44.699 45.100 0.001 0.000 0.728 427 G HN 0.264 nan 8.290 nan 0.000 0.483 428 L N -1.646 119.541 121.223 -0.059 0.000 4.436 428 L HA -0.374 3.967 4.340 0.002 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 40.191 42.059 -0.198 0.000 1.899 428 L HN 0.506 nan 8.230 nan 0.000 1.002 429 L N -0.900 120.285 121.223 -0.063 0.000 2.058 429 L HA -0.324 4.017 4.340 0.002 0.000 0.226 429 L C 2.622 179.457 176.870 -0.058 0.000 1.089 429 L CA 2.110 56.911 54.840 -0.065 0.000 0.799 429 L CB -1.350 40.721 42.059 0.020 0.000 0.900 429 L HN 0.623 nan 8.230 nan 0.000 0.442 430 G N 0.201 109.033 108.800 0.053 0.000 2.679 430 G HA2 -0.366 3.595 3.960 0.002 0.000 0.217 430 G HA3 -0.366 3.595 3.960 0.002 0.000 0.217 430 G C 1.735 176.703 174.900 0.113 0.000 1.267 430 G CA 1.922 47.136 45.100 0.190 0.000 0.799 430 G HN 0.543 nan 8.290 nan 0.000 0.606 431 S N 0.005 115.604 115.700 -0.168 0.000 2.368 431 S HA -0.219 4.252 4.470 0.002 0.000 0.226 431 S C 2.236 176.446 174.600 -0.651 0.000 1.044 431 S CA 2.604 60.182 58.200 -1.036 0.000 1.062 431 S CB -1.324 60.958 63.200 -1.530 0.000 0.931 431 S HN 0.386 nan 8.310 nan 0.000 0.440 432 T N 2.634 116.878 114.554 -0.516 0.000 2.555 432 T HA -0.134 4.217 4.350 0.002 0.000 0.264 432 T C 1.834 176.292 174.700 -0.403 0.000 1.083 432 T CA 1.676 63.490 62.100 -0.477 0.000 1.179 432 T CB -0.698 67.922 68.868 -0.414 0.000 0.863 432 T HN 0.427 nan 8.240 nan 0.000 0.412 433 E N -0.027 119.931 120.200 -0.403 0.000 2.171 433 E HA -0.172 4.179 4.350 0.002 0.000 0.197 433 E C 1.775 178.003 176.600 -0.620 0.000 0.997 433 E CA 1.013 57.071 56.400 -0.571 0.000 0.810 433 E CB -0.370 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 1.151 122.153 121.300 -0.497 0.000 2.436 434 W HA -0.031 4.630 4.660 0.001 0.000 0.284 434 W C 2.236 178.729 176.519 -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 0.023 nan 8.180 nan 0.000 0.559 435 A N 0.089 122.854 122.820 -0.092 0.000 1.935 435 A HA -0.089 4.232 4.320 0.002 0.000 0.214 435 A C 1.828 179.221 177.584 -0.318 0.000 1.178 435 A CA 1.381 53.256 52.037 -0.270 0.000 0.640 435 A CB -0.666 18.102 19.000 -0.386 0.000 0.825 435 A HN 0.386 nan 8.150 nan 0.000 0.447 436 E N -0.267 119.733 120.200 -0.332 0.000 2.097 436 E HA -0.269 4.082 4.350 0.002 0.000 0.196 436 E C 1.998 178.453 176.600 -0.242 0.000 1.000 436 E CA 1.523 57.739 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 4.203 4.350 0.002 0.000 0.193 437 E C 0.972 177.433 176.600 -0.232 0.000 0.994 437 E CA 1.141 57.423 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 0.172 118.627 118.700 -0.409 0.000 2.276 438 N HA 0.004 4.745 4.740 0.002 0.000 0.212 438 N C 1.227 176.609 175.510 -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 -0.685 0.000 1.014 438 N HN 0.143 nan 8.380 nan 0.000 0.491 439 S N 1.895 117.496 115.700 -0.166 0.000 2.377 439 S HA -0.291 4.180 4.470 0.002 0.000 0.224 439 S C 1.806 176.388 174.600 -0.030 0.000 1.042 439 S CA 0.938 59.088 58.200 -0.084 0.000 1.086 439 S CB -0.465 62.685 63.200 -0.083 0.000 0.995 439 S HN 0.284 nan 8.310 nan 0.000 0.428 440 R N 1.320 121.805 120.500 -0.025 0.000 2.267 440 R HA -0.074 4.267 4.340 0.002 0.000 0.259 440 R C 2.129 178.444 176.300 0.025 0.000 1.192 440 R CA 1.850 57.954 56.100 0.005 0.000 1.013 440 R CB -0.719 29.584 30.300 0.006 0.000 0.877 440 R HN 0.569 nan 8.270 nan 0.000 0.474 441 L N -1.314 119.926 121.223 0.028 0.000 2.349 441 L HA 0.061 4.402 4.340 0.002 0.000 0.200 441 L C 2.003 178.927 176.870 0.090 0.000 1.064 441 L CA 0.272 55.158 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 0.206 121.496 121.223 0.111 0.000 2.042 442 L HA -0.234 4.107 4.340 0.002 0.000 0.210 442 L C 2.708 179.628 176.870 0.083 0.000 1.076 442 L CA 1.269 56.202 54.840 0.154 0.000 0.749 442 L CB -0.633 41.542 42.059 0.194 0.000 0.893 442 L HN 0.308 nan 8.230 nan 0.000 0.432 443 Q N 0.479 120.321 119.800 0.071 0.000 2.152 443 Q HA -0.226 4.115 4.340 0.002 0.000 0.206 443 Q C 1.727 177.799 176.000 0.121 0.000 0.985 443 Q CA 1.771 57.624 55.803 0.083 0.000 0.863 443 Q CB 0.077 28.857 28.738 0.069 0.000 0.904 443 Q HN 0.430 nan 8.270 nan 0.000 0.422 444 E N -1.379 118.876 120.200 0.091 0.000 2.511 444 E HA 0.173 4.524 4.350 0.002 0.000 0.209 444 E C 0.977 177.565 176.600 -0.021 0.000 0.986 444 E CA 0.142 56.634 56.400 0.153 0.000 0.974 444 E CB 0.642 30.421 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 4.529 4.340 0.002 0.000 0.254 445 R C 1.003 177.145 176.300 -0.264 0.000 0.925 445 R CA 0.308 56.210 56.100 -0.331 0.000 1.025 445 R CB 0.866 30.750 30.300 -0.693 0.000 1.428 445 R HN -0.070 nan 8.270 nan 0.000 0.573 446 G N 0.906 109.656 108.800 -0.083 0.000 2.254 446 G HA2 0.170 4.131 3.960 0.002 0.000 0.253 446 G HA3 0.170 4.131 3.960 0.002 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 2.788 122.728 119.914 0.043 0.000 2.490 447 V HA 0.543 4.664 4.120 0.002 0.000 0.238 447 V C 1.410 177.642 176.094 0.229 0.000 1.056 447 V CA 1.829 64.161 62.300 0.053 0.000 1.075 447 V CB -0.324 31.495 31.823 -0.007 0.000 0.746 447 V HN 1.057 nan 8.190 nan 0.000 0.479 448 A N -1.215 121.740 122.820 0.225 0.000 2.604 448 A HA 0.700 5.021 4.320 0.002 0.000 0.295 448 A C -2.170 175.559 177.584 0.242 0.000 1.067 448 A CA -0.330 51.880 52.037 0.289 0.000 0.683 448 A CB 1.396 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 1.633 121.995 120.300 0.104 0.000 2.326 449 Y HA 0.699 5.250 4.550 0.002 0.000 0.329 449 Y C -1.590 174.362 175.900 0.088 0.000 0.973 449 Y CA -1.267 56.849 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 6.094 126.335 120.570 -0.549 0.000 2.330 450 I HA 0.263 4.434 4.170 0.002 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 4.462 122.869 118.700 -0.488 0.000 2.513 451 N HA 0.716 5.457 4.740 0.002 0.000 0.274 451 N C -0.647 174.910 175.510 0.078 0.000 1.189 451 N CA -0.245 52.753 53.050 -0.086 0.000 0.975 451 N CB 1.080 39.734 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 4.545 4.320 0.002 0.000 0.300 452 A C -0.641 177.085 177.584 0.237 0.000 1.099 452 A CA -0.686 51.468 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 0.632 121.189 120.400 0.262 0.000 2.358 453 D HA 0.409 5.050 4.640 0.002 0.000 0.287 453 D C 0.865 177.278 176.300 0.188 0.000 1.181 453 D CA 0.148 54.311 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 -1.140 114.683 115.700 0.205 0.000 2.558 454 S HA 0.011 4.482 4.470 0.002 0.000 0.297 454 S C 0.787 175.432 174.600 0.074 0.000 1.283 454 S CA 0.161 58.449 58.200 0.146 0.000 1.044 454 S CB 0.529 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 0.583 116.266 115.700 -0.028 0.000 2.512 455 S HA 0.290 4.761 4.470 0.002 0.000 0.216 455 S C 0.565 175.098 174.600 -0.111 0.000 1.006 455 S CA -0.282 57.852 58.200 -0.111 0.000 0.915 455 S CB -0.204 62.816 63.200 -0.301 0.000 0.824 455 S HN 0.712 nan 8.310 nan 0.000 0.497 456 I N -1.385 119.130 120.570 -0.090 0.000 3.145 456 I HA 0.647 4.818 4.170 0.002 0.000 0.313 456 I C -0.132 175.983 176.117 -0.004 0.000 1.122 456 I CA -0.920 60.374 61.300 -0.011 0.000 0.987 456 I CB 2.073 40.081 38.000 0.014 0.000 1.236 456 I HN -0.197 nan 8.210 nan 0.000 0.453 457 E N 0.773 121.048 120.200 0.125 0.000 2.267 457 E HA 0.284 4.635 4.350 0.002 0.000 0.186 457 E C 0.185 177.007 176.600 0.370 0.000 0.954 457 E CA 0.009 56.546 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 4.199 3.960 0.002 0.000 0.310 458 G HA3 0.238 4.199 3.960 0.002 0.000 0.310 458 G C -0.724 174.292 174.900 0.194 0.000 1.270 458 G CA -0.363 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 0.047 4.788 4.740 0.002 0.000 0.216 459 N C -0.452 175.074 175.510 0.026 0.000 1.259 459 N CA -0.073 52.929 53.050 -0.080 0.000 0.902 459 N CB 1.336 39.928 38.487 0.175 0.000 1.079 459 N HN 0.340 nan 8.380 nan 0.000 0.507 460 Y N 3.091 123.382 120.300 -0.016 0.000 2.623 460 Y HA 0.167 4.718 4.550 0.002 0.000 0.341 460 Y C 0.426 176.213 175.900 -0.188 0.000 1.292 460 Y CA 0.528 58.596 58.100 -0.054 0.000 1.840 460 Y CB -0.720 37.710 38.460 -0.051 0.000 1.865 460 Y HN -0.025 nan 8.280 nan 0.000 0.440 461 T N 1.559 115.885 114.554 -0.380 0.000 0.541 461 T HA -0.246 4.105 4.350 0.002 0.000 0.774 461 T C -0.938 172.921 174.700 -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 68.050 68.868 -0.598 0.000 2.303 461 T HN 0.546 nan 8.240 nan 0.000 0.398 462 L N 2.203 122.658 121.223 -1.279 0.000 2.371 462 L HA 0.736 5.077 4.340 0.002 0.000 0.272 462 L C 0.545 176.851 176.870 -0.939 0.000 1.124 462 L CA 0.118 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 3.672 123.743 120.500 -0.714 0.000 2.561 463 R HA 0.771 5.112 4.340 0.002 0.000 0.297 463 R C -2.041 174.052 176.300 -0.345 0.000 0.969 463 R CA -0.631 55.227 56.100 -0.404 0.000 0.879 463 R CB 1.644 31.771 30.300 -0.288 0.000 1.178 463 R HN 0.557 nan 8.270 nan 0.000 0.445 464 V N 3.555 123.353 119.914 -0.193 0.000 2.841 464 V HA 0.457 4.578 4.120 0.002 0.000 0.310 464 V C -1.114 174.921 176.094 -0.098 0.000 1.090 464 V CA -0.842 61.362 62.300 -0.160 0.000 0.930 464 V CB 2.376 34.120 31.823 -0.130 0.000 1.014 464 V HN 0.819 nan 8.190 nan 0.000 0.425 465 D N 2.733 123.037 120.400 -0.160 0.000 2.896 465 D HA 0.743 5.384 4.640 0.002 0.000 0.241 465 D C -0.904 175.223 176.300 -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 42.957 40.800 -0.248 0.000 1.553 465 D HN 0.952 nan 8.370 nan 0.000 0.515 466 C N -0.645 118.481 119.300 -0.291 0.000 3.224 466 C HA 0.453 4.914 4.460 0.002 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 0.784 28.441 27.740 -0.138 0.000 1.458 466 C HN 0.593 nan 8.230 nan 0.000 0.485 467 T N 2.106 116.490 114.554 -0.285 0.000 2.866 467 T HA 0.259 4.610 4.350 0.002 0.000 0.293 467 T C -1.001 173.585 174.700 -0.190 0.000 1.005 467 T CA 0.419 62.413 62.100 -0.177 0.000 1.162 467 T CB 0.213 69.132 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 1.442 178.345 177.300 -0.662 0.000 1.147 468 P CA 1.089 63.473 63.100 -1.192 0.000 0.821 468 P CB -0.028 30.948 31.700 -1.207 0.000 0.771 469 L N -2.321 118.731 121.223 -0.286 0.000 2.083 469 L HA -0.131 4.210 4.340 0.002 0.000 0.209 469 L C 2.125 178.956 176.870 -0.065 0.000 1.083 469 L CA 1.460 56.205 54.840 -0.160 0.000 0.752 469 L CB -0.695 41.118 42.059 -0.411 0.000 0.899 469 L HN 0.049 nan 8.230 nan 0.000 0.433 470 M N -2.089 117.498 119.600 -0.020 0.000 2.563 470 M HA -0.015 4.466 4.480 0.002 0.000 0.231 470 M C 1.399 177.843 176.300 0.239 0.000 1.136 470 M CA 0.123 55.508 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 0.469 120.736 120.300 -0.054 0.000 2.070 471 Y HA -0.208 4.343 4.550 0.001 0.000 0.279 471 Y C 2.913 178.709 175.900 -0.173 0.000 1.134 471 Y CA 1.450 59.461 58.100 -0.150 0.000 1.113 471 Y CB -1.262 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 -0.026 115.717 115.700 0.072 0.000 2.380 472 S HA -0.226 4.245 4.470 0.002 0.000 0.229 472 S C 2.175 176.882 174.600 0.178 0.000 1.043 472 S CA 1.528 59.783 58.200 0.092 0.000 1.038 472 S CB -0.756 62.516 63.200 0.119 0.000 0.872 472 S HN 0.355 nan 8.310 nan 0.000 0.456 473 L N 1.490 122.831 121.223 0.197 0.000 1.989 473 L HA -0.043 4.298 4.340 0.002 0.000 0.211 473 L C 2.296 179.301 176.870 0.225 0.000 1.071 473 L CA 1.866 56.832 54.840 0.211 0.000 0.749 473 L CB -0.951 41.247 42.059 0.232 0.000 0.890 473 L HN 0.223 nan 8.230 nan 0.000 0.431 474 V N -0.374 119.685 119.914 0.242 0.000 2.255 474 V HA -0.343 3.778 4.120 0.002 0.000 0.247 474 V C 2.507 178.861 176.094 0.434 0.000 1.051 474 V CA 2.010 64.484 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 4.397 4.556 0.001 0.000 0.292 475 H C 2.340 177.739 175.328 0.117 0.000 1.068 475 H CA 2.167 58.367 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 4.589 4.740 0.002 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 -0.657 37.905 38.487 0.125 0.000 1.029 476 N HN 0.244 nan 8.380 nan 0.000 0.428 477 L N 0.418 121.741 121.223 0.166 0.000 2.017 477 L HA -0.072 4.269 4.340 0.002 0.000 0.208 477 L C 2.177 179.136 176.870 0.148 0.000 1.073 477 L CA 1.934 56.865 54.840 0.153 0.000 0.745 477 L CB -1.453 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 4.161 4.350 0.002 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 0.582 121.076 120.400 0.157 0.000 2.097 479 K HA -0.031 4.290 4.320 0.002 0.000 0.206 479 K C 1.508 178.154 176.600 0.076 0.000 1.049 479 K CA 1.096 57.421 56.287 0.064 0.000 0.933 479 K CB -0.027 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 4.490 4.350 0.002 0.000 0.198 480 E C -0.516 176.122 176.600 0.064 0.000 1.115 480 E CA -0.079 56.357 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 1.270 122.541 121.223 0.080 0.000 2.386 481 L HA 0.351 4.692 4.340 0.002 0.000 0.271 481 L C -0.367 176.543 176.870 0.067 0.000 0.993 481 L CA -0.963 53.916 54.840 0.065 0.000 0.819 481 L CB 2.098 44.198 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 4.408 4.320 0.002 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 0.875 33.391 32.500 0.026 0.000 0.918 482 K HN 0.358 nan 8.250 nan 0.000 0.476 483 S N 3.902 119.644 115.700 0.071 0.000 2.465 483 S HA 0.181 4.652 4.470 0.002 0.000 0.279 483 S C -1.186 173.463 174.600 0.083 0.000 1.201 483 S CA -1.686 56.553 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 0.025 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 -0.101 31.631 31.700 0.055 0.000 0.809 485 D N 2.263 122.784 120.400 0.201 0.000 2.622 485 D HA -0.082 4.559 4.640 0.002 0.000 0.227 485 D C 0.629 177.090 176.300 0.268 0.000 1.159 485 D CA 0.933 55.067 54.000 0.223 0.000 0.865 485 D CB 0.714 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 0.379 4.730 4.350 0.002 0.000 0.278 486 E C 0.787 177.545 176.600 0.263 0.000 1.049 486 E CA -0.502 56.025 56.400 0.211 0.000 0.876 486 E CB 0.758 30.551 29.700 0.154 0.000 1.035 486 E HN 0.594 nan 8.360 nan 0.000 0.419 487 G N 3.062 111.957 108.800 0.157 0.000 2.163 487 G HA2 -0.245 3.716 3.960 0.002 0.000 0.213 487 G HA3 -0.245 3.716 3.960 0.002 0.000 0.213 487 G C -0.278 174.499 174.900 -0.204 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 4.877 4.527 0.001 0.000 0.338 488 F C 0.538 176.352 175.800 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 -0.303 119.961 120.200 0.106 0.000 2.299 489 E HA 0.407 4.758 4.350 0.002 0.000 0.272 489 E C 1.073 177.718 176.600 0.075 0.000 1.043 489 E CA 0.065 56.508 56.400 0.071 0.000 0.895 489 E CB 0.992 30.707 29.700 0.024 0.000 1.011 489 E HN 0.680 nan 8.360 nan 0.000 0.432 490 G N 3.232 112.076 108.800 0.074 0.000 2.258 490 G HA2 -0.274 3.687 3.960 0.002 0.000 0.274 490 G HA3 -0.274 3.687 3.960 0.002 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 0.534 4.855 4.320 0.002 0.000 0.258 491 K C 0.890 177.578 176.600 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 2.207 117.992 115.700 0.142 0.000 2.568 492 S HA 0.025 4.496 4.470 0.002 0.000 0.282 492 S C 1.454 176.132 174.600 0.129 0.000 1.338 492 S CA -0.541 57.743 58.200 0.140 0.000 1.045 492 S CB 0.492 63.798 63.200 0.177 0.000 0.873 492 S HN 0.665 nan 8.310 nan 0.000 0.516 493 L N 1.874 123.172 121.223 0.125 0.000 2.079 493 L HA -0.120 4.221 4.340 0.002 0.000 0.210 493 L C 2.166 179.129 176.870 0.155 0.000 1.081 493 L CA 1.910 56.806 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 1.173 121.541 120.300 0.114 0.000 2.097 494 Y HA -0.324 4.227 4.550 0.002 0.000 0.282 494 Y C 2.490 178.409 175.900 0.032 0.000 1.152 494 Y CA 2.231 60.414 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 -0.486 119.782 120.200 0.114 0.000 2.033 495 E HA -0.300 4.051 4.350 0.002 0.000 0.199 495 E C 2.447 178.959 176.600 -0.146 0.000 1.011 495 E CA 1.716 58.120 56.400 0.006 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 0.366 115.927 115.700 -0.233 0.000 2.369 496 S HA -0.241 4.230 4.470 0.002 0.000 0.225 496 S C 1.741 176.095 174.600 -0.410 0.000 1.043 496 S CA 1.723 59.529 58.200 -0.657 0.000 1.074 496 S CB -0.529 62.305 63.200 -0.610 0.000 0.962 496 S HN 0.531 nan 8.310 nan 0.000 0.433 497 W N 2.240 123.262 121.300 -0.463 0.000 2.335 497 W HA -0.085 4.576 4.660 0.001 0.000 0.311 497 W C 2.348 178.600 176.519 -0.445 0.000 1.213 497 W CA 2.268 59.343 57.345 -0.450 0.000 1.274 497 W CB -1.377 27.857 29.460 -0.377 0.000 1.148 497 W HN 0.362 nan 8.180 nan 0.000 0.498 498 T N 1.317 115.500 114.554 -0.618 0.000 2.569 498 T HA -0.280 4.071 4.350 0.002 0.000 0.263 498 T C 1.785 176.244 174.700 -0.402 0.000 1.074 498 T CA 2.557 64.224 62.100 -0.721 0.000 1.176 498 T CB -0.570 67.823 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 -0.174 4.147 4.320 0.002 0.000 0.211 499 K C 2.238 178.784 176.600 -0.091 0.000 1.049 499 K CA 1.493 57.711 56.287 -0.116 0.000 0.927 499 K CB -0.173 32.343 32.500 0.026 0.000 0.714 499 K HN 0.363 nan 8.250 nan 0.000 0.452 500 K N 0.342 120.640 120.400 -0.172 0.000 2.418 500 K HA -0.005 4.316 4.320 0.002 0.000 0.195 500 K C 0.454 177.026 176.600 -0.046 0.000 1.035 500 K CA 0.820 57.005 56.287 -0.170 0.000 1.003 500 K CB 0.396 32.548 32.500 -0.581 0.000 0.793 500 K HN 0.118 nan 8.250 nan 0.000 0.494 501 S N 0.246 115.877 115.700 -0.116 0.000 2.689 501 S HA 0.246 4.717 4.470 0.002 0.000 0.151 501 S C -3.108 171.387 174.600 -0.175 0.000 1.155 501 S CA -1.415 56.741 58.200 -0.074 0.000 1.144 501 S CB 0.905 64.070 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 0.278 63.265 63.100 -0.188 0.000 0.763 502 P CB 0.706 32.327 31.700 -0.133 0.000 0.816 503 S N 5.316 120.909 115.700 -0.178 0.000 2.515 503 S HA 0.155 4.626 4.470 0.002 0.000 0.285 503 S C -2.034 172.551 174.600 -0.026 0.000 1.265 503 S CA -1.179 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 0.278 63.393 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 -0.455 119.785 120.200 0.067 0.000 4.234 505 E HA -0.323 4.028 4.350 0.002 0.000 0.187 505 E C -0.425 176.290 176.600 0.190 0.000 1.237 505 E CA 1.019 57.486 56.400 0.113 0.000 2.362 505 E CB -1.427 28.341 29.700 0.114 0.000 1.813 505 E HN 0.350 nan 8.360 nan 0.000 0.402 506 F N 2.223 122.177 119.950 0.006 0.000 2.471 506 F HA 0.380 4.908 4.527 0.001 0.000 0.318 506 F C 0.964 176.755 175.800 -0.016 0.000 1.308 506 F CA 0.346 58.351 58.000 0.008 0.000 1.162 506 F CB 0.498 39.516 39.000 0.030 0.000 1.383 506 F HN 0.217 nan 8.300 nan 0.000 0.552 507 S N -0.299 115.294 115.700 -0.178 0.000 2.559 507 S HA -0.153 4.318 4.470 0.002 0.000 0.250 507 S C 2.069 176.495 174.600 -0.290 0.000 0.977 507 S CA 0.863 58.943 58.200 -0.200 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 4.279 3.960 0.002 0.000 0.209 508 G HA3 0.318 4.279 3.960 0.002 0.000 0.209 508 G C 0.362 175.178 174.900 -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 -2.293 117.216 119.600 -0.151 0.000 2.578 509 M HA 0.424 4.905 4.480 0.002 0.000 0.276 509 M C -3.298 172.737 176.300 -0.442 0.000 1.245 509 M CA -2.372 52.790 55.300 -0.229 0.000 0.871 509 M CB 1.433 34.047 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 -0.088 62.269 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 3.620 123.818 120.500 -0.505 0.000 2.267 511 R HA 0.354 4.695 4.340 0.002 0.000 0.319 511 R C -0.759 175.522 176.300 -0.031 0.000 1.067 511 R CA -0.168 55.831 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 0.467 nan 8.270 nan 0.000 0.452 512 I N 3.832 124.342 120.570 -0.099 0.000 2.389 512 I HA 0.201 4.372 4.170 0.002 0.000 0.288 512 I C -0.115 175.928 176.117 -0.125 0.000 0.999 512 I CA -0.604 60.613 61.300 -0.138 0.000 1.129 512 I CB 2.100 39.772 38.000 -0.546 0.000 1.288 512 I HN 0.675 nan 8.210 nan 0.000 0.444 513 S N 5.224 120.893 115.700 -0.052 0.000 2.713 513 S HA 0.478 4.949 4.470 0.002 0.000 0.277 513 S C -0.121 174.415 174.600 -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 0.255 120.582 120.400 -0.122 0.000 2.087 514 K HA 0.466 4.787 4.320 0.002 0.000 0.255 514 K C 0.169 176.566 176.600 -0.338 0.000 0.988 514 K CA -0.601 55.513 56.287 -0.289 0.000 0.915 514 K CB 0.712 33.067 32.500 -0.241 0.000 1.043 514 K HN 0.347 nan 8.250 nan 0.000 0.457 515 L N 0.498 121.395 121.223 -0.544 0.000 2.635 515 L HA 0.259 4.600 4.340 0.002 0.000 0.144 515 L C 0.415 177.185 176.870 -0.167 0.000 1.632 515 L CA 0.536 55.061 54.840 -0.526 0.000 2.943 515 L CB -0.076 41.397 42.059 -0.977 0.000 3.002 515 L HN 0.944 nan 8.230 nan 0.000 0.812 516 G N 0.212 109.094 108.800 0.136 0.000 2.999 516 G HA2 -0.043 3.918 3.960 0.002 0.000 0.686 516 G HA3 -0.043 3.918 3.960 0.002 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 1.365 nan 8.290 nan 0.000 0.575 517 S N 0.109 115.824 115.700 0.025 0.000 3.452 517 S HA 0.367 4.838 4.470 0.002 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 -1.035 61.996 63.200 -0.281 0.000 1.088 517 S HN 3.350 nan 8.310 nan 0.000 0.306 518 G N 4.235 112.972 108.800 -0.106 0.000 1.781 518 G HA2 -0.022 3.939 3.960 0.002 0.000 0.082 518 G HA3 -0.022 3.939 3.960 0.002 0.000 0.082 518 G C -0.288 174.551 174.900 -0.103 0.000 0.919 518 G CA -0.019 45.099 45.100 0.030 0.000 1.202 518 G HN 0.969 nan 8.290 nan 0.000 0.393 519 N N 1.420 120.058 118.700 -0.103 0.000 2.381 519 N HA 0.184 4.925 4.740 0.002 0.000 0.254 519 N C 0.873 176.176 175.510 -0.345 0.000 1.264 519 N CA 0.138 53.155 53.050 -0.055 0.000 0.942 519 N CB 0.647 39.348 38.487 0.358 0.000 1.190 519 N HN 0.445 nan 8.380 nan 0.000 0.495 520 D N 0.532 120.901 120.400 -0.051 0.000 2.244 520 D HA -0.236 4.405 4.640 0.002 0.000 0.197 520 D C 1.643 177.897 176.300 -0.078 0.000 1.006 520 D CA 1.398 55.321 54.000 -0.130 0.000 0.888 520 D CB -0.268 40.517 40.800 -0.026 0.000 0.912 520 D HN 0.604 nan 8.370 nan 0.000 0.452 521 F N 1.535 121.743 119.950 0.429 0.000 2.307 521 F HA -0.057 4.472 4.527 0.002 0.000 0.301 521 F C 2.039 178.022 175.800 0.305 0.000 1.076 521 F CA 0.864 59.242 58.000 0.630 0.000 1.383 521 F CB -0.846 38.518 39.000 0.607 0.000 1.055 521 F HN -0.107 nan 8.300 nan 0.000 0.526 522 E N 1.561 121.312 120.200 -0.749 0.000 2.086 522 E HA -0.260 4.091 4.350 0.002 0.000 0.205 522 E C 2.052 178.601 176.600 -0.085 0.000 1.027 522 E CA 2.947 59.120 56.400 -0.378 0.000 0.830 522 E CB -0.327 29.132 29.700 -0.401 0.000 0.751 522 E HN 0.358 nan 8.360 nan 0.000 0.456 523 V N 0.142 119.870 119.914 -0.309 0.000 2.233 523 V HA -0.282 3.838 4.120 0.002 0.000 0.247 523 V C 2.257 178.191 176.094 -0.267 0.000 1.050 523 V CA 2.348 64.399 62.300 -0.416 0.000 1.010 523 V CB -1.156 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 -0.942 118.997 119.950 -0.017 0.000 2.161 524 F HA -0.136 4.392 4.527 0.002 0.000 0.300 524 F C 2.170 178.129 175.800 0.264 0.000 1.089 524 F CA 2.039 60.085 58.000 0.077 0.000 1.282 524 F CB -0.478 38.503 39.000 -0.032 0.000 1.010 524 F HN 0.123 nan 8.300 nan 0.000 0.485 525 F N 0.770 120.943 119.950 0.372 0.000 2.138 525 F HA 0.014 4.542 4.527 0.002 0.000 0.283 525 F C 2.267 178.249 175.800 0.303 0.000 1.100 525 F CA 1.109 59.328 58.000 0.366 0.000 1.189 525 F CB -0.762 38.504 39.000 0.444 0.000 1.060 525 F HN -0.272 nan 8.300 nan 0.000 0.492 526 Q N -0.111 119.798 119.800 0.182 0.000 2.482 526 Q HA 0.022 4.363 4.340 0.002 0.000 0.209 526 Q C 1.762 177.829 176.000 0.112 0.000 0.961 526 Q CA 0.554 56.396 55.803 0.065 0.000 0.945 526 Q CB 0.127 28.905 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 4.552 4.340 0.002 0.000 0.193 527 R C 1.182 177.496 176.300 0.023 0.000 0.852 527 R CA 0.158 56.297 56.100 0.065 0.000 1.055 527 R CB 0.252 30.573 30.300 0.035 0.000 1.343 527 R HN 0.205 nan 8.270 nan 0.000 0.655 528 L N -0.411 120.828 121.223 0.027 0.000 2.253 528 L HA 0.355 4.696 4.340 0.002 0.000 0.205 528 L C 0.692 177.586 176.870 0.040 0.000 1.078 528 L CA 0.853 55.719 54.840 0.044 0.000 0.805 528 L CB 0.380 42.495 42.059 0.094 0.000 0.963 528 L HN 0.591 nan 8.230 nan 0.000 0.459 529 G N 1.401 110.223 108.800 0.037 0.000 2.270 529 G HA2 -0.197 3.764 3.960 0.002 0.000 0.224 529 G HA3 -0.197 3.764 3.960 0.002 0.000 0.224 529 G C -0.200 174.765 174.900 0.107 0.000 1.079 529 G CA -0.507 44.578 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 4.710 4.170 0.002 0.000 0.290 530 I C 1.162 177.553 176.117 0.457 0.000 1.008 530 I CA -0.648 60.842 61.300 0.316 0.000 1.226 530 I CB 1.536 39.741 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 4.658 4.320 0.002 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 -0.097 18.889 19.000 -0.023 0.000 0.968 531 A HN 0.861 nan 8.150 nan 0.000 0.509 532 S N 0.649 116.441 115.700 0.153 0.000 2.636 532 S HA 0.894 5.365 4.470 0.002 0.000 0.268 532 S C -0.282 174.197 174.600 -0.202 0.000 1.159 532 S CA -0.276 57.955 58.200 0.050 0.000 0.815 532 S CB 1.260 64.618 63.200 0.262 0.000 1.130 532 S HN 2.229 nan 8.310 nan 0.000 0.471 533 G N -0.109 108.568 108.800 -0.206 0.000 2.600 533 G HA2 0.778 4.739 3.960 0.002 0.000 0.293 533 G HA3 0.778 4.739 3.960 0.002 0.000 0.293 533 G C -1.817 172.928 174.900 -0.258 0.000 1.408 533 G CA -1.028 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 -1.569 118.785 120.500 -0.244 0.000 2.817 534 R HA 0.914 5.255 4.340 0.002 0.000 0.268 534 R C -1.005 175.214 176.300 -0.135 0.000 1.027 534 R CA -0.886 55.116 56.100 -0.162 0.000 0.928 534 R CB 2.016 32.217 30.300 -0.164 0.000 1.228 534 R HN 1.542 nan 8.270 nan 0.000 0.469 535 A N 1.016 123.778 122.820 -0.097 0.000 2.500 535 A HA 0.609 4.930 4.320 0.002 0.000 0.291 535 A C -1.120 176.404 177.584 -0.100 0.000 1.048 535 A CA -0.841 51.112 52.037 -0.139 0.000 0.791 535 A CB 1.272 20.176 19.000 -0.160 0.000 1.309 535 A HN 0.748 nan 8.150 nan 0.000 0.397 536 R N 0.043 120.463 120.500 -0.133 0.000 3.150 536 R HA 0.685 5.026 4.340 0.002 0.000 0.236 536 R C -1.623 174.581 176.300 -0.160 0.000 1.469 536 R CA -0.727 55.325 56.100 -0.079 0.000 1.045 536 R CB 1.179 31.465 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 4.894 4.550 0.001 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 3.873 118.279 114.554 -0.247 0.000 2.807 538 T HA 0.450 4.801 4.350 0.002 0.000 0.277 538 T C -0.742 173.900 174.700 -0.096 0.000 1.006 538 T CA -0.877 61.123 62.100 -0.168 0.000 1.006 538 T CB 0.890 69.511 68.868 -0.411 0.000 1.274 538 T HN 0.631 nan 8.240 nan 0.000 0.569 539 K N 1.280 121.652 120.400 -0.046 0.000 2.127 539 K HA 0.406 4.727 4.320 0.002 0.000 0.240 539 K C 0.123 176.734 176.600 0.018 0.000 1.024 539 K CA -0.873 55.469 56.287 0.092 0.000 0.918 539 K CB 0.252 32.883 32.500 0.219 0.000 1.108 539 K HN 0.394 nan 8.250 nan 0.000 0.485 540 N N 0.585 119.278 118.700 -0.013 0.000 2.468 540 N HA -0.052 4.689 4.740 0.002 0.000 0.265 540 N C -0.160 175.431 175.510 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 -0.739 0.000 1.059 540 N HN 0.725 nan 8.380 nan 0.000 0.467 541 W N 2.110 123.389 121.300 -0.034 0.000 2.721 541 W HA -0.027 4.634 4.660 0.002 0.000 0.245 541 W C 1.216 177.682 176.519 -0.088 0.000 1.276 541 W CA -0.166 57.152 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 -1.682 118.588 120.200 0.117 0.000 2.391 542 E HA -0.036 4.315 4.350 0.002 0.000 0.206 542 E C 1.927 178.499 176.600 -0.046 0.000 0.851 542 E CA 0.532 56.940 56.400 0.013 0.000 1.059 542 E CB 0.006 29.712 29.700 0.009 0.000 1.065 542 E HN -0.034 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 -0.041 4.310 4.350 0.002 0.000 0.266 543 T C 0.603 175.244 174.700 -0.098 0.000 1.040 543 T CA 0.982 63.031 62.100 -0.086 0.000 1.141 543 T CB -0.147 68.655 68.868 -0.111 0.000 0.868 543 T HN 0.083 nan 8.240 nan 0.000 0.444 544 N N 0.918 119.520 118.700 -0.163 0.000 2.443 544 N HA 0.281 5.022 4.740 0.002 0.000 0.269 544 N C 0.122 175.327 175.510 -0.507 0.000 0.985 544 N CA -0.365 52.391 53.050 -0.490 0.000 0.921 544 N CB 1.739 39.866 38.487 -0.601 0.000 1.195 544 N HN 0.128 nan 8.380 nan 0.000 0.492 545 K N 1.134 121.235 120.400 -0.497 0.000 2.361 545 K HA 0.096 4.417 4.320 0.002 0.000 0.194 545 K C 0.281 176.723 176.600 -0.263 0.000 1.032 545 K CA 0.272 56.381 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 1.329 121.288 119.950 0.016 0.000 2.456 546 F HA 0.081 4.609 4.527 0.002 0.000 0.306 546 F C 1.674 177.448 175.800 -0.044 0.000 1.278 546 F CA -1.035 56.966 58.000 0.002 0.000 1.264 546 F CB -0.448 38.602 39.000 0.083 0.000 1.253 546 F HN -0.142 nan 8.300 nan 0.000 0.554 547 S N 0.501 116.338 115.700 0.229 0.000 2.163 547 S HA 0.360 4.831 4.470 0.002 0.000 0.151 547 S C 1.116 175.775 174.600 0.098 0.000 1.382 547 S CA -0.075 58.128 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 1.019 nan 8.310 nan 0.000 0.349 548 G N 0.312 109.039 108.800 -0.122 0.000 2.631 548 G HA2 0.418 4.379 3.960 0.002 0.000 0.271 548 G HA3 0.418 4.379 3.960 0.002 0.000 0.271 548 G C -0.323 174.554 174.900 -0.039 0.000 1.302 548 G CA -0.322 44.644 45.100 -0.222 0.000 1.002 548 G HN 0.802 nan 8.290 nan 0.000 0.519 549 Y N -1.639 118.675 120.300 0.022 0.000 2.304 549 Y HA 0.563 5.114 4.550 0.002 0.000 0.327 549 Y C -2.405 173.418 175.900 -0.129 0.000 1.209 549 Y CA -3.487 54.632 58.100 0.031 0.000 1.299 549 Y CB -0.306 38.180 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 0.097 0.000 1.204 550 P CA 0.177 63.239 63.100 -0.063 0.000 0.768 550 P CB 0.440 32.140 31.700 0.001 0.000 0.842 551 L N -0.707 120.530 121.223 0.022 0.000 4.253 551 L HA -0.264 4.077 4.340 0.002 0.000 0.389 551 L C 1.110 178.085 176.870 0.174 0.000 1.092 551 L CA -0.183 54.728 54.840 0.119 0.000 1.053 551 L CB -2.207 39.944 42.059 0.153 0.000 2.114 551 L HN 0.346 nan 8.230 nan 0.000 0.607 552 Y N 1.704 121.847 120.300 -0.261 0.000 1.915 552 Y HA -0.233 4.318 4.550 0.002 0.000 0.195 552 Y C 1.711 177.580 175.900 -0.051 0.000 0.952 552 Y CA 2.238 60.051 58.100 -0.478 0.000 0.919 552 Y CB -0.332 37.698 38.460 -0.718 0.000 0.873 552 Y HN 0.303 nan 8.280 nan 0.000 0.570 553 H N 0.453 119.088 119.070 -0.725 0.000 2.553 553 H HA 0.322 4.879 4.556 0.002 0.000 0.222 553 H C -0.042 175.071 175.328 -0.359 0.000 1.779 553 H CA -0.244 55.383 56.048 -0.701 0.000 1.241 553 H CB -0.235 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 -0.954 114.714 115.700 -0.054 0.000 2.739 554 S HA 0.220 4.691 4.470 0.002 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 64.828 63.200 0.142 0.000 1.133 554 S HN 0.088 nan 8.310 nan 0.000 0.541 555 V N 0.190 120.056 119.914 -0.080 0.000 2.270 555 V HA -0.131 3.990 4.120 0.002 0.000 0.245 555 V C 1.853 177.746 176.094 -0.334 0.000 1.043 555 V CA 1.625 63.768 62.300 -0.262 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 4.453 4.550 0.002 0.000 0.293 556 Y C 1.408 176.991 175.900 -0.529 0.000 1.156 556 Y CA 0.467 58.237 58.100 -0.550 0.000 1.410 556 Y CB -0.924 37.160 38.460 -0.625 0.000 0.966 556 Y HN 0.341 nan 8.280 nan 0.000 0.568 557 E N 1.794 121.913 120.200 -0.136 0.000 1.814 557 E HA 0.079 4.430 4.350 0.002 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 -0.061 0.000 0.972 557 E CB 0.053 29.785 29.700 0.054 0.000 1.077 557 E HN 0.301 nan 8.360 nan 0.000 0.417 558 T N -0.848 113.623 114.554 -0.139 0.000 2.901 558 T HA 0.101 4.452 4.350 0.002 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 -0.115 0.000 1.008 558 T CB 0.887 69.540 68.868 -0.358 0.000 1.170 558 T HN 0.324 nan 8.240 nan 0.000 0.509 559 Y N 1.824 122.178 120.300 0.090 0.000 2.002 559 Y HA -0.262 4.289 4.550 0.002 0.000 0.268 559 Y C 2.217 178.260 175.900 0.238 0.000 1.177 559 Y CA 2.629 60.859 58.100 0.218 0.000 1.111 559 Y CB -0.701 37.965 38.460 0.343 0.000 0.952 559 Y HN 0.847 nan 8.280 nan 0.000 0.491 560 E N 0.225 120.528 120.200 0.171 0.000 2.114 560 E HA -0.249 4.102 4.350 0.002 0.000 0.199 560 E C 2.032 178.756 176.600 0.207 0.000 1.008 560 E CA 1.462 57.945 56.400 0.138 0.000 0.810 560 E CB -0.784 29.137 29.700 0.369 0.000 0.739 560 E HN 0.528 nan 8.360 nan 0.000 0.456 561 L N 0.056 121.445 121.223 0.277 0.000 2.081 561 L HA -0.192 4.149 4.340 0.002 0.000 0.212 561 L C 1.915 178.971 176.870 0.310 0.000 1.080 561 L CA 1.563 56.597 54.840 0.324 0.000 0.754 561 L CB -0.346 41.782 42.059 0.116 0.000 0.893 561 L HN 0.051 nan 8.230 nan 0.000 0.433 562 V N -0.609 119.353 119.914 0.079 0.000 2.300 562 V HA -0.144 3.977 4.120 0.002 0.000 0.241 562 V C 2.560 178.617 176.094 -0.061 0.000 1.034 562 V CA 1.568 63.882 62.300 0.023 0.000 1.021 562 V CB -0.629 31.120 31.823 -0.123 0.000 0.662 562 V HN 0.502 nan 8.190 nan 0.000 0.458 563 E N 0.897 120.928 120.200 -0.281 0.000 2.130 563 E HA -0.263 4.088 4.350 0.002 0.000 0.196 563 E C 1.909 178.456 176.600 -0.088 0.000 0.998 563 E CA 1.544 57.781 56.400 -0.271 0.000 0.806 563 E CB 0.000 29.445 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 4.397 4.320 0.002 0.000 0.194 564 K C 0.853 177.442 176.600 -0.019 0.000 1.027 564 K CA 0.101 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 -2.598 117.421 119.950 0.115 0.000 2.767 565 F HA 0.180 4.708 4.527 0.002 0.000 0.329 565 F C 1.228 177.086 175.800 0.097 0.000 0.912 565 F CA -0.297 57.804 58.000 0.168 0.000 1.115 565 F CB 0.327 39.527 39.000 0.334 0.000 0.936 565 F HN -0.143 nan 8.300 nan 0.000 0.624 566 Y N -0.335 120.109 120.300 0.240 0.000 2.259 566 Y HA 0.188 4.739 4.550 0.002 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 -0.683 119.721 120.400 0.006 0.000 2.513 567 D HA 0.265 4.906 4.640 0.002 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 -0.279 0.000 0.849 567 D CB 0.870 41.505 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 1.574 178.816 177.300 -0.097 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 0.095 4.576 4.480 0.002 0.000 0.262 569 M C 0.330 176.683 176.300 0.087 0.000 1.090 569 M CA 0.631 55.909 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 -0.054 nan 8.290 nan 0.000 0.470 570 F N -0.452 119.375 119.950 -0.205 0.000 2.926 570 F HA -0.359 4.169 4.527 0.002 0.000 0.288 570 F C 1.189 176.903 175.800 -0.144 0.000 0.756 570 F CA 0.610 58.501 58.000 -0.182 0.000 1.292 570 F CB -1.820 37.081 39.000 -0.165 0.000 1.482 570 F HN 0.161 nan 8.300 nan 0.000 0.400 571 K N -0.275 120.007 120.400 -0.197 0.000 1.978 571 K HA -0.201 4.120 4.320 0.002 0.000 0.214 571 K C 1.520 178.050 176.600 -0.117 0.000 1.049 571 K CA 2.265 58.415 56.287 -0.228 0.000 0.939 571 K CB -0.491 31.720 32.500 -0.482 0.000 0.721 571 K HN 0.509 nan 8.250 nan 0.000 0.441 572 Y N 0.768 120.962 120.300 -0.177 0.000 2.139 572 Y HA -0.304 4.247 4.550 0.001 0.000 0.282 572 Y C 2.611 178.482 175.900 -0.048 0.000 1.179 572 Y CA 1.091 58.991 58.100 -0.334 0.000 1.161 572 Y CB -0.474 37.686 38.460 -0.500 0.000 0.970 572 Y HN 0.309 nan 8.280 nan 0.000 0.511 573 H N -0.783 118.345 119.070 0.097 0.000 2.357 573 H HA -0.171 4.386 4.556 0.002 0.000 0.301 573 H C 2.240 177.648 175.328 0.133 0.000 1.082 573 H CA 1.391 57.537 56.048 0.164 0.000 1.342 573 H CB -0.114 29.837 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 4.198 4.340 0.002 0.000 0.208 574 L C 2.360 179.265 176.870 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 4.157 4.350 0.002 0.000 0.263 575 T C 1.918 176.663 174.700 0.076 0.000 1.055 575 T CA 1.879 64.024 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 1.974 121.952 119.914 0.107 0.000 2.313 576 V HA -0.300 3.820 4.120 0.002 0.000 0.253 576 V C 2.854 178.982 176.094 0.056 0.000 1.070 576 V CA 2.009 64.349 62.300 0.068 0.000 1.057 576 V CB -1.307 30.550 31.823 0.058 0.000 0.653 576 V HN 0.591 nan 8.190 nan 0.000 0.450 577 A N -0.753 122.107 122.820 0.068 0.000 1.908 577 A HA -0.312 4.009 4.320 0.002 0.000 0.218 577 A C 2.167 179.769 177.584 0.030 0.000 1.181 577 A CA 2.177 54.250 52.037 0.059 0.000 0.627 577 A CB -0.446 18.583 19.000 0.049 0.000 0.818 577 A HN 0.711 nan 8.150 nan 0.000 0.445 578 Q N -0.620 119.183 119.800 0.004 0.000 2.083 578 Q HA -0.060 4.281 4.340 0.002 0.000 0.198 578 Q C 2.157 178.194 176.000 0.062 0.000 0.969 578 Q CA 1.341 57.140 55.803 -0.006 0.000 0.838 578 Q CB -0.464 28.257 28.738 -0.028 0.000 0.900 578 Q HN 0.457 nan 8.270 nan 0.000 0.436 579 V N 1.635 121.576 119.914 0.045 0.000 2.219 579 V HA -0.327 3.794 4.120 0.002 0.000 0.248 579 V C 2.360 178.500 176.094 0.076 0.000 1.053 579 V CA 2.117 64.438 62.300 0.036 0.000 1.009 579 V CB -0.622 31.181 31.823 -0.033 0.000 0.636 579 V HN 0.325 nan 8.190 nan 0.000 0.445 580 R N -0.080 120.465 120.500 0.076 0.000 2.097 580 R HA -0.166 4.175 4.340 0.002 0.000 0.236 580 R C 2.477 178.893 176.300 0.193 0.000 1.135 580 R CA 1.733 57.898 56.100 0.110 0.000 0.934 580 R CB -1.224 29.141 30.300 0.109 0.000 0.846 580 R HN 0.614 nan 8.270 nan 0.000 0.431 581 G N 0.427 109.378 108.800 0.251 0.000 2.553 581 G HA2 -0.322 3.639 3.960 0.002 0.000 0.218 581 G HA3 -0.322 3.639 3.960 0.002 0.000 0.218 581 G C 1.568 176.701 174.900 0.388 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 0.757 109.750 108.800 0.321 0.000 2.574 582 G HA2 -0.328 3.633 3.960 0.002 0.000 0.220 582 G HA3 -0.328 3.633 3.960 0.002 0.000 0.220 582 G C 1.863 176.933 174.900 0.283 0.000 1.173 582 G CA 1.710 46.978 45.100 0.280 0.000 0.772 582 G HN 0.326 nan 8.290 nan 0.000 0.585 583 M N 0.108 119.837 119.600 0.215 0.000 2.255 583 M HA -0.141 4.340 4.480 0.002 0.000 0.260 583 M C 2.802 179.220 176.300 0.198 0.000 1.069 583 M CA 1.337 56.748 55.300 0.184 0.000 1.089 583 M CB -1.572 31.106 32.600 0.131 0.000 1.269 583 M HN 0.127 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 3.810 4.120 0.002 0.000 0.253 584 V C 2.253 178.468 176.094 0.202 0.000 1.065 584 V CA 2.336 64.748 62.300 0.187 0.000 1.039 584 V CB -0.959 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 2.010 585 F HA -0.196 4.332 4.527 0.001 0.000 0.296 585 F C 2.618 178.475 175.800 0.094 0.000 1.146 585 F CA 2.276 60.355 58.000 0.132 0.000 1.181 585 F CB -0.483 38.547 39.000 0.050 0.000 0.965 585 F HN 0.108 nan 8.300 nan 0.000 0.480 586 E N 0.635 120.990 120.200 0.259 0.000 2.048 586 E HA -0.279 4.072 4.350 0.002 0.000 0.202 586 E C 2.402 179.008 176.600 0.010 0.000 1.021 586 E CA 2.069 58.548 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 4.109 4.340 0.002 0.000 0.216 587 L C 2.311 179.126 176.870 -0.092 0.000 1.074 587 L CA 1.732 56.565 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 -1.743 121.005 122.820 -0.120 0.000 2.276 588 A HA -0.021 4.300 4.320 0.002 0.000 0.212 588 A C 1.521 178.953 177.584 -0.253 0.000 1.230 588 A CA 1.078 53.001 52.037 -0.191 0.000 0.844 588 A CB -0.436 18.421 19.000 -0.240 0.000 0.860 588 A HN 0.530 nan 8.150 nan 0.000 0.486 589 N N -2.079 116.469 118.700 -0.253 0.000 2.066 589 N HA 0.033 4.774 4.740 0.002 0.000 0.232 589 N C 0.106 175.527 175.510 -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 1.518 117.158 115.700 -0.100 0.000 2.455 590 S HA 0.169 4.640 4.470 0.002 0.000 0.278 590 S C 1.738 176.317 174.600 -0.035 0.000 1.216 590 S CA -0.526 57.654 58.200 -0.033 0.000 1.055 590 S CB -0.246 62.958 63.200 0.007 0.000 0.939 590 S HN 0.144 nan 8.310 nan 0.000 0.494 591 I N 5.291 125.853 120.570 -0.014 0.000 2.253 591 I HA -0.213 3.958 4.170 0.002 0.000 0.234 591 I C 1.141 177.265 176.117 0.012 0.000 0.978 591 I CA 1.570 62.870 61.300 -0.000 0.000 1.271 591 I CB -1.395 36.616 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 0.037 0.000 2.481 592 V HA 0.213 4.334 4.120 0.002 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 4.426 4.340 0.002 0.000 0.278 593 L C -1.373 175.409 176.870 -0.148 0.000 1.218 593 L CA -0.982 53.701 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 -0.078 nan 4.420 nan 0.000 0.261 594 P C -0.366 177.173 177.300 0.399 0.000 1.288 594 P CA 0.924 64.108 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 -0.300 119.730 119.950 0.133 0.000 2.378 595 F HA 0.312 4.840 4.527 0.002 0.000 0.325 595 F C 0.745 176.643 175.800 0.163 0.000 1.097 595 F CA -0.967 57.123 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 0.794 121.399 120.400 0.342 0.000 2.364 596 D HA 0.181 4.822 4.640 0.002 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 0.485 41.391 40.800 0.177 0.000 1.267 596 D HN 0.597 nan 8.370 nan 0.000 0.531 597 C N 1.957 121.434 119.300 0.294 0.000 2.392 597 C HA -0.237 4.224 4.460 0.002 0.000 0.276 597 C C 2.368 177.563 174.990 0.342 0.000 1.212 597 C CA 0.592 59.804 59.018 0.324 0.000 1.791 597 C CB -1.070 26.805 27.740 0.226 0.000 2.063 597 C HN 0.587 nan 8.230 nan 0.000 0.481 598 R N 1.464 122.109 120.500 0.241 0.000 2.133 598 R HA -0.137 4.204 4.340 0.002 0.000 0.247 598 R C 1.850 178.247 176.300 0.161 0.000 1.151 598 R CA 2.160 58.378 56.100 0.198 0.000 0.971 598 R CB -0.533 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 -0.375 120.074 120.400 0.081 0.000 2.144 599 D HA -0.172 4.469 4.640 0.002 0.000 0.199 599 D C 1.628 177.874 176.300 -0.091 0.000 0.984 599 D CA 1.179 55.131 54.000 -0.079 0.000 0.834 599 D CB -0.239 40.392 40.800 -0.282 0.000 0.955 599 D HN 0.306 nan 8.370 nan 0.000 0.465 600 Y N 1.325 121.595 120.300 -0.051 0.000 2.333 600 Y HA -0.205 4.346 4.550 0.001 0.000 0.290 600 Y C 2.380 178.196 175.900 -0.140 0.000 1.144 600 Y CA 1.014 59.047 58.100 -0.111 0.000 1.228 600 Y CB 0.112 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 4.135 4.320 0.002 0.000 0.214 601 A C 2.270 179.906 177.584 0.086 0.000 1.200 601 A CA 2.005 54.204 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 0.714 120.655 119.914 0.046 0.000 2.250 602 V HA -0.333 3.788 4.120 0.002 0.000 0.250 602 V C 2.732 178.751 176.094 -0.126 0.000 1.060 602 V CA 2.435 64.719 62.300 -0.027 0.000 1.030 602 V CB -1.735 30.062 31.823 -0.044 0.000 0.643 602 V HN 0.632 nan 8.190 nan 0.000 0.445 603 V N -1.504 118.275 119.914 -0.225 0.000 2.358 603 V HA -0.208 3.913 4.120 0.002 0.000 0.246 603 V C 2.277 177.972 176.094 -0.665 0.000 1.047 603 V CA 1.894 63.884 62.300 -0.517 0.000 1.035 603 V CB -0.913 30.615 31.823 -0.493 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 4.119 4.340 0.002 0.000 0.213 604 L C 2.949 179.870 176.870 0.084 0.000 1.072 604 L CA 2.464 57.330 54.840 0.044 0.000 0.755 604 L CB -0.706 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 0.888 121.407 120.500 0.031 0.000 2.122 605 R HA -0.220 4.121 4.340 0.002 0.000 0.236 605 R C 2.174 178.525 176.300 0.085 0.000 1.129 605 R CA 1.966 58.120 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 -0.873 119.505 120.400 -0.037 0.000 2.052 606 K HA -0.267 4.054 4.320 0.002 0.000 0.215 606 K C 2.309 178.952 176.600 0.072 0.000 1.053 606 K CA 2.381 58.643 56.287 -0.043 0.000 0.934 606 K CB -0.598 31.775 32.500 -0.211 0.000 0.717 606 K HN 0.352 nan 8.250 nan 0.000 0.450 607 Y N 0.651 121.021 120.300 0.118 0.000 2.081 607 Y HA -0.336 4.215 4.550 0.002 0.000 0.280 607 Y C 2.729 178.814 175.900 0.308 0.000 1.163 607 Y CA 0.618 58.830 58.100 0.187 0.000 1.135 607 Y CB -0.400 38.101 38.460 0.067 0.000 0.970 607 Y HN 0.186 nan 8.280 nan 0.000 0.498 608 A N 0.484 123.543 122.820 0.399 0.000 1.859 608 A HA -0.258 4.063 4.320 0.002 0.000 0.217 608 A C 1.917 179.585 177.584 0.141 0.000 1.198 608 A CA 2.185 54.215 52.037 -0.012 0.000 0.629 608 A CB -0.941 17.758 19.000 -0.501 0.000 0.830 608 A HN 0.440 nan 8.150 nan 0.000 0.446 609 D N -0.348 120.228 120.400 0.293 0.000 2.137 609 D HA -0.231 4.410 4.640 0.002 0.000 0.189 609 D C 1.923 178.434 176.300 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 40.668 40.800 0.315 0.000 0.962 609 D HN 0.381 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 4.122 4.320 0.002 0.000 0.214 610 K C 2.083 178.832 176.600 0.248 0.000 1.051 610 K CA 1.035 57.464 56.287 0.237 0.000 0.931 610 K CB -0.932 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 0.127 120.878 120.570 0.301 0.000 2.315 611 I HA -0.171 4.000 4.170 0.002 0.000 0.248 611 I C 2.040 178.308 176.117 0.252 0.000 1.117 611 I CA 1.151 62.633 61.300 0.303 0.000 1.404 611 I CB -0.502 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 1.208 121.563 120.300 0.092 0.000 2.145 612 Y HA -0.286 4.265 4.550 0.002 0.000 0.286 612 Y C 2.742 178.537 175.900 -0.174 0.000 1.145 612 Y CA 1.935 59.903 58.100 -0.219 0.000 1.148 612 Y CB -0.917 37.597 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 4.344 4.470 0.002 0.000 0.233 613 S C 1.859 176.378 174.600 -0.135 0.000 1.006 613 S CA 1.190 59.278 58.200 -0.188 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 1.960 122.513 120.570 -0.029 0.000 2.252 614 I HA -0.052 4.119 4.170 0.002 0.000 0.245 614 I C 2.786 178.903 176.117 0.000 0.000 1.102 614 I CA 1.171 62.483 61.300 0.019 0.000 1.385 614 I CB -1.809 36.255 38.000 0.106 0.000 1.064 614 I HN 0.430 nan 8.210 nan 0.000 0.414 615 S N 0.427 116.110 115.700 -0.028 0.000 2.387 615 S HA -0.055 4.416 4.470 0.002 0.000 0.226 615 S C 1.836 176.420 174.600 -0.026 0.000 1.026 615 S CA 0.804 59.055 58.200 0.085 0.000 0.972 615 S CB -0.058 63.180 63.200 0.063 0.000 0.814 615 S HN 0.206 nan 8.310 nan 0.000 0.477 616 M N 1.365 120.770 119.600 -0.326 0.000 2.748 616 M HA 0.128 4.609 4.480 0.002 0.000 0.241 616 M C 1.181 177.362 176.300 -0.200 0.000 1.080 616 M CA 0.721 55.824 55.300 -0.329 0.000 1.068 616 M CB -0.873 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 -0.422 119.867 120.400 -0.186 0.000 2.522 617 K HA -0.021 4.300 4.320 0.002 0.000 0.194 617 K C -0.086 176.160 176.600 -0.589 0.000 1.026 617 K CA 0.442 56.534 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 -0.821 118.248 119.070 -0.002 0.000 3.186 618 H HA 0.083 4.640 4.556 0.002 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 0.745 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 32.384 31.700 -0.051 0.000 0.790 620 Q N 0.158 119.939 119.800 -0.031 0.000 1.965 620 Q HA -0.186 4.155 4.340 0.002 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 0.200 120.324 120.200 -0.126 0.000 2.219 621 E HA -0.208 4.143 4.350 0.002 0.000 0.198 621 E C 1.874 178.167 176.600 -0.510 0.000 0.998 621 E CA 1.441 57.665 56.400 -0.293 0.000 0.818 621 E CB -0.072 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 -0.162 119.177 119.600 -0.434 0.000 2.077 622 M HA -0.178 4.303 4.480 0.002 0.000 0.261 622 M C 2.330 178.550 176.300 -0.133 0.000 1.070 622 M CA 1.469 56.567 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 4.220 4.320 0.002 0.000 0.204 623 K C 1.661 178.220 176.600 -0.068 0.000 1.050 623 K CA 1.515 57.775 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 0.197 114.694 114.554 -0.096 0.000 2.607 624 T HA -0.188 4.163 4.350 0.002 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 1.290 121.477 120.300 -0.188 0.000 2.537 625 Y HA 0.470 5.021 4.550 0.002 0.000 0.303 625 Y C 1.186 177.060 175.900 -0.044 0.000 1.176 625 Y CA -0.640 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 0.120 nan 8.280 nan 0.000 0.518 626 S N 0.638 116.373 115.700 0.058 0.000 3.356 626 S HA -0.148 4.323 4.470 0.002 0.000 0.376 626 S C -0.461 174.215 174.600 0.126 0.000 0.924 626 S CA 0.062 58.304 58.200 0.070 0.000 1.316 626 S CB -1.190 62.040 63.200 0.050 0.000 0.922 626 S HN 0.194 nan 8.310 nan 0.000 0.553 627 V N 4.432 124.435 119.914 0.148 0.000 2.259 627 V HA 0.470 4.591 4.120 0.002 0.000 0.267 627 V C 0.626 176.920 176.094 0.333 0.000 1.051 627 V CA 0.082 62.534 62.300 0.254 0.000 0.830 627 V CB 1.022 33.047 31.823 0.337 0.000 1.080 627 V HN 0.716 nan 8.190 nan 0.000 0.467 628 S N 3.029 118.896 115.700 0.278 0.000 2.669 628 S HA 0.610 5.081 4.470 0.002 0.000 0.270 628 S C 0.072 174.939 174.600 0.444 0.000 1.225 628 S CA -0.105 58.297 58.200 0.336 0.000 0.991 628 S CB 0.967 64.284 63.200 0.195 0.000 0.987 628 S HN 0.488 nan 8.310 nan 0.000 0.552 629 F N -0.152 119.929 119.950 0.219 0.000 2.915 629 F HA 0.300 4.828 4.527 0.002 0.000 0.347 629 F C 1.371 177.329 175.800 0.264 0.000 1.104 629 F CA -0.479 57.675 58.000 0.256 0.000 1.126 629 F CB 0.313 39.569 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 4.451 4.640 0.002 0.000 0.195 630 D C 2.214 178.631 176.300 0.194 0.000 0.997 630 D CA 2.047 56.183 54.000 0.228 0.000 0.840 630 D CB -0.456 40.424 40.800 0.134 0.000 0.947 630 D HN 0.293 nan 8.370 nan 0.000 0.452 631 S N 1.612 117.389 115.700 0.129 0.000 2.377 631 S HA -0.232 4.239 4.470 0.002 0.000 0.224 631 S C 2.103 176.743 174.600 0.067 0.000 1.042 631 S CA 1.085 59.340 58.200 0.091 0.000 1.086 631 S CB -0.937 62.307 63.200 0.073 0.000 0.995 631 S HN 0.215 nan 8.310 nan 0.000 0.428 632 L N 1.050 122.262 121.223 -0.018 0.000 1.971 632 L HA -0.009 4.332 4.340 0.002 0.000 0.215 632 L C 2.289 179.108 176.870 -0.086 0.000 1.072 632 L CA 1.733 56.493 54.840 -0.134 0.000 0.758 632 L CB -1.115 40.721 42.059 -0.370 0.000 0.889 632 L HN 0.286 nan 8.230 nan 0.000 0.433 633 F N -0.562 119.408 119.950 0.033 0.000 2.154 633 F HA -0.276 4.252 4.527 0.001 0.000 0.301 633 F C 2.865 178.694 175.800 0.048 0.000 1.087 633 F CA 1.714 59.736 58.000 0.036 0.000 1.274 633 F CB -0.719 38.279 39.000 -0.005 0.000 1.009 633 F HN 0.322 nan 8.300 nan 0.000 0.485 634 S N 0.119 115.949 115.700 0.217 0.000 2.349 634 S HA -0.231 4.240 4.470 0.002 0.000 0.216 634 S C 2.415 177.095 174.600 0.133 0.000 1.033 634 S CA 1.372 59.663 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 1.211 124.098 122.820 0.111 0.000 1.909 635 A HA -0.156 4.165 4.320 0.002 0.000 0.221 635 A C 2.416 180.097 177.584 0.162 0.000 1.223 635 A CA 2.590 54.694 52.037 0.112 0.000 0.658 635 A CB -1.613 17.436 19.000 0.081 0.000 0.831 635 A HN 0.592 nan 8.150 nan 0.000 0.462 636 V N -0.136 119.866 119.914 0.147 0.000 2.282 636 V HA -0.344 3.777 4.120 0.002 0.000 0.249 636 V C 2.447 178.676 176.094 0.226 0.000 1.057 636 V CA 2.540 64.950 62.300 0.185 0.000 1.032 636 V CB -0.857 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 0.342 120.855 120.400 0.189 0.000 1.988 637 K HA -0.282 4.039 4.320 0.002 0.000 0.221 637 K C 2.053 178.743 176.600 0.150 0.000 1.053 637 K CA 2.465 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 0.408 119.184 118.700 0.127 0.000 2.094 638 N HA -0.212 4.529 4.740 0.002 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 37.946 38.487 0.061 0.000 1.013 638 N HN 0.178 nan 8.380 nan 0.000 0.426 639 F N 1.605 121.580 119.950 0.042 0.000 2.063 639 F HA -0.294 4.234 4.527 0.002 0.000 0.298 639 F C 2.181 178.018 175.800 0.060 0.000 1.109 639 F CA 1.747 59.772 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 -0.055 114.686 114.554 0.312 0.000 2.684 640 T HA -0.227 4.124 4.350 0.002 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 4.278 4.350 0.002 0.000 0.191 641 E C 2.261 178.854 176.600 -0.012 0.000 0.985 641 E CA 0.779 57.195 56.400 0.027 0.000 0.801 641 E CB -0.114 29.605 29.700 0.032 0.000 0.750 641 E HN 0.364 nan 8.360 nan 0.000 0.452 642 I N 1.097 121.626 120.570 -0.069 0.000 2.252 642 I HA -0.192 3.979 4.170 0.002 0.000 0.245 642 I C 2.501 178.547 176.117 -0.118 0.000 1.102 642 I CA 0.974 62.205 61.300 -0.116 0.000 1.385 642 I CB -1.441 36.434 38.000 -0.209 0.000 1.064 642 I HN -0.012 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 -0.198 4.123 4.320 0.002 0.000 0.217 643 A C 2.619 180.242 177.584 0.065 0.000 1.175 643 A CA 1.961 53.931 52.037 -0.110 0.000 0.627 643 A CB -0.779 18.138 19.000 -0.138 0.000 0.815 643 A HN 0.417 nan 8.150 nan 0.000 0.443 644 S N -0.150 115.574 115.700 0.040 0.000 2.365 644 S HA -0.251 4.220 4.470 0.002 0.000 0.221 644 S C 2.064 176.696 174.600 0.055 0.000 1.037 644 S CA 2.050 60.283 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 -0.331 120.096 120.400 0.044 0.000 2.063 645 K HA -0.109 4.212 4.320 0.002 0.000 0.208 645 K C 1.915 178.542 176.600 0.045 0.000 1.048 645 K CA 1.660 57.969 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 1.631 121.558 119.950 -0.039 0.000 2.095 646 F HA -0.257 4.271 4.527 0.002 0.000 0.298 646 F C 2.578 178.382 175.800 0.006 0.000 1.104 646 F CA 1.669 59.649 58.000 -0.033 0.000 1.232 646 F CB -0.573 38.390 39.000 -0.061 0.000 0.987 646 F HN -0.075 nan 8.300 nan 0.000 0.475 647 S N -0.253 115.459 115.700 0.020 0.000 2.356 647 S HA -0.275 4.196 4.470 0.002 0.000 0.223 647 S C 2.180 176.724 174.600 -0.094 0.000 1.032 647 S CA 1.605 59.783 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 0.655 nan 8.310 nan 0.000 0.449 648 E N 0.629 120.804 120.200 -0.043 0.000 2.049 648 E HA -0.233 4.118 4.350 0.002 0.000 0.198 648 E C 2.378 178.942 176.600 -0.059 0.000 1.007 648 E CA 1.148 57.529 56.400 -0.031 0.000 0.809 648 E CB -0.260 29.435 29.700 -0.009 0.000 0.749 648 E HN 0.419 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 4.194 4.340 0.002 0.000 0.229 649 R C 2.259 178.489 176.300 -0.116 0.000 1.110 649 R CA 0.651 56.685 56.100 -0.110 0.000 0.988 649 R CB -0.113 30.103 30.300 -0.140 0.000 0.871 649 R HN 0.225 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 4.269 4.340 0.002 0.000 0.214 650 L C 1.656 178.647 176.870 0.203 0.000 1.119 650 L CA 1.644 56.424 54.840 -0.100 0.000 0.809 650 L CB -0.067 41.806 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 4.276 4.340 0.002 0.000 0.200 651 Q C 1.371 177.335 176.000 -0.059 0.000 0.941 651 Q CA 0.982 56.778 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 0.854 121.259 120.400 0.008 0.000 2.269 652 D HA -0.058 4.583 4.640 0.002 0.000 0.208 652 D C 0.433 176.740 176.300 0.011 0.000 0.963 652 D CA 0.351 54.350 54.000 -0.003 0.000 0.864 652 D CB 0.008 40.820 40.800 0.019 0.000 0.936 652 D HN 0.174 nan 8.370 nan 0.000 0.505 653 F N 2.422 122.337 119.950 -0.059 0.000 2.471 653 F HA 0.127 4.656 4.527 0.003 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 4.225 124.580 120.400 -0.075 0.000 2.348 654 D HA 0.006 4.647 4.640 0.002 0.000 0.259 654 D C 0.141 176.341 176.300 -0.166 0.000 1.296 654 D CA -0.371 53.532 54.000 -0.161 0.000 0.931 654 D CB 1.005 41.783 40.800 -0.037 0.000 1.067 654 D HN 0.790 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 4.202 4.320 0.002 0.000 0.195 655 K C 1.772 178.360 176.600 -0.021 0.000 1.040 655 K CA 0.645 56.795 56.287 -0.229 0.000 0.950 655 K CB -0.064 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 1.159 116.845 115.700 -0.023 0.000 2.357 656 S HA -0.146 4.325 4.470 0.002 0.000 0.221 656 S C 1.078 175.701 174.600 0.038 0.000 1.031 656 S CA 0.395 58.597 58.200 0.003 0.000 0.982 656 S CB -0.409 62.787 63.200 -0.007 0.000 0.853 656 S HN 0.322 nan 8.310 nan 0.000 0.458 657 N N 3.842 122.583 118.700 0.068 0.000 2.399 657 N HA 0.114 4.855 4.740 0.002 0.000 0.259 657 N C -1.473 174.094 175.510 0.094 0.000 1.160 657 N CA -1.589 51.505 53.050 0.074 0.000 0.946 657 N CB 1.167 39.701 38.487 0.079 0.000 1.156 657 N HN 0.130 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 1.227 64.357 63.100 0.049 0.000 0.915 658 P CB 0.235 31.949 31.700 0.024 0.000 0.788 659 I N -0.313 120.268 120.570 0.018 0.000 2.143 659 I HA -0.255 3.916 4.170 0.002 0.000 0.245 659 I C 2.773 178.880 176.117 -0.016 0.000 1.068 659 I CA 1.605 62.905 61.300 0.001 0.000 1.326 659 I CB -1.748 36.251 38.000 -0.001 0.000 1.028 659 I HN -0.181 nan 8.210 nan 0.000 0.412 660 V N 0.299 120.209 119.914 -0.007 0.000 2.261 660 V HA -0.275 3.846 4.120 0.002 0.000 0.246 660 V C 2.425 178.414 176.094 -0.174 0.000 1.047 660 V CA 1.980 64.236 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 0.649 121.846 121.223 -0.043 0.000 1.991 661 L HA -0.273 4.068 4.340 0.002 0.000 0.221 661 L C 2.557 179.388 176.870 -0.066 0.000 1.079 661 L CA 2.795 57.631 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 -0.462 120.024 120.500 -0.023 0.000 2.103 662 R HA -0.207 4.134 4.340 0.002 0.000 0.234 662 R C 2.259 178.545 176.300 -0.023 0.000 1.132 662 R CA 2.690 58.779 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 0.503 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 -0.312 4.169 4.480 0.002 0.000 0.255 663 M C 2.296 178.579 176.300 -0.028 0.000 1.073 663 M CA 2.054 57.331 55.300 -0.037 0.000 1.091 663 M CB -0.369 32.196 32.600 -0.059 0.000 1.309 663 M HN 0.258 nan 8.290 nan 0.000 0.407 664 M N -0.192 119.343 119.600 -0.108 0.000 2.073 664 M HA -0.234 4.247 4.480 0.002 0.000 0.258 664 M C 1.905 178.252 176.300 0.078 0.000 1.070 664 M CA 1.810 57.066 55.300 -0.074 0.000 1.103 664 M CB -1.597 30.738 32.600 -0.441 0.000 1.321 664 M HN 0.328 nan 8.290 nan 0.000 0.405 665 N N 0.890 119.601 118.700 0.018 0.000 2.094 665 N HA -0.175 4.566 4.740 0.002 0.000 0.191 665 N C 1.248 176.798 175.510 0.066 0.000 1.023 665 N CA 1.469 54.542 53.050 0.037 0.000 0.857 665 N CB -0.447 38.036 38.487 -0.006 0.000 1.013 665 N HN 0.318 nan 8.380 nan 0.000 0.426 666 D N 0.912 121.369 120.400 0.095 0.000 2.178 666 D HA -0.106 4.535 4.640 0.002 0.000 0.201 666 D C 1.970 178.423 176.300 0.254 0.000 0.980 666 D CA 0.644 54.777 54.000 0.220 0.000 0.842 666 D CB -0.159 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 -0.199 119.673 119.800 0.120 0.000 2.061 667 Q HA -0.161 4.180 4.340 0.002 0.000 0.204 667 Q C 2.120 178.113 176.000 -0.011 0.000 0.984 667 Q CA 0.742 56.544 55.803 -0.002 0.000 0.846 667 Q CB -0.139 28.543 28.738 -0.093 0.000 0.902 667 Q HN 0.221 nan 8.270 nan 0.000 0.421 668 L N 0.605 121.872 121.223 0.074 0.000 1.976 668 L HA -0.187 4.154 4.340 0.002 0.000 0.209 668 L C 2.424 179.471 176.870 0.295 0.000 1.071 668 L CA 1.742 56.695 54.840 0.189 0.000 0.746 668 L CB -1.062 41.136 42.059 0.232 0.000 0.890 668 L HN 0.317 nan 8.230 nan 0.000 0.432 669 M N -1.678 118.028 119.600 0.176 0.000 2.088 669 M HA -0.326 4.155 4.480 0.002 0.000 0.256 669 M C 2.188 178.509 176.300 0.035 0.000 1.071 669 M CA 2.154 57.518 55.300 0.106 0.000 1.097 669 M CB -0.311 32.201 32.600 -0.146 0.000 1.315 669 M HN 0.164 nan 8.290 nan 0.000 0.406 670 F N -0.087 119.907 119.950 0.074 0.000 2.604 670 F HA -0.074 4.454 4.527 0.001 0.000 0.298 670 F C 2.058 177.844 175.800 -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 0.261 121.568 121.223 0.139 0.000 1.989 671 L HA -0.274 4.067 4.340 0.002 0.000 0.211 671 L C 2.572 179.469 176.870 0.044 0.000 1.071 671 L CA 1.921 56.776 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 0.391 120.678 120.200 0.145 0.000 2.114 672 E HA -0.315 4.036 4.350 0.002 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 29.666 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 4.383 4.340 0.002 0.000 0.227 673 R C 2.114 178.367 176.300 -0.078 0.000 1.103 673 R CA 0.959 57.065 56.100 0.010 0.000 0.983 673 R CB -0.285 30.092 30.300 0.129 0.000 0.874 673 R HN 0.248 nan 8.270 nan 0.000 0.451 674 A N -0.258 122.475 122.820 -0.146 0.000 2.076 674 A HA -0.147 4.174 4.320 0.002 0.000 0.220 674 A C 1.376 178.669 177.584 -0.486 0.000 1.160 674 A CA 1.064 52.900 52.037 -0.335 0.000 0.653 674 A CB -0.500 18.221 19.000 -0.464 0.000 0.801 674 A HN 0.360 nan 8.150 nan 0.000 0.455 675 F N -0.947 118.820 119.950 -0.305 0.000 2.731 675 F HA 0.280 4.807 4.527 0.001 0.000 0.304 675 F C -0.075 175.488 175.800 -0.394 0.000 1.133 675 F CA -0.265 57.510 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 -0.028 nan 8.300 nan 0.000 0.550 676 I N 0.373 120.829 120.570 -0.189 0.000 2.304 676 I HA 0.076 4.247 4.170 0.002 0.000 0.291 676 I C -0.224 175.850 176.117 -0.070 0.000 1.018 676 I CA -0.527 60.689 61.300 -0.141 0.000 1.260 676 I CB 0.672 38.599 38.000 -0.122 0.000 1.390 676 I HN -0.152 nan 8.210 nan 0.000 0.475 677 D N 8.692 129.072 120.400 -0.034 0.000 2.411 677 D HA 0.290 4.931 4.640 0.002 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 0.994 178.262 177.300 -0.053 0.000 1.151 678 P CA 1.136 64.216 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 -2.972 118.220 121.223 -0.052 0.000 2.599 679 L HA 0.177 4.518 4.340 0.002 0.000 0.230 679 L C 1.460 178.279 176.870 -0.085 0.000 1.141 679 L CA 0.246 55.044 54.840 -0.071 0.000 0.877 679 L CB -1.347 40.676 42.059 -0.059 0.000 1.009 679 L HN 0.078 nan 8.230 nan 0.000 0.447 680 G N 0.487 109.247 108.800 -0.066 0.000 2.740 680 G HA2 -0.280 3.681 3.960 0.002 0.000 0.250 680 G HA3 -0.280 3.681 3.960 0.002 0.000 0.250 680 G C -0.237 174.640 174.900 -0.038 0.000 1.358 680 G CA -0.454 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 0.889 122.102 121.223 -0.016 0.000 2.468 681 L HA 0.372 4.713 4.340 0.002 0.000 0.254 681 L C -1.713 175.132 176.870 -0.041 0.000 1.171 681 L CA -1.746 53.089 54.840 -0.008 0.000 0.809 681 L CB 0.834 42.912 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 63.510 63.100 -0.046 0.000 0.763 682 P CB 0.167 31.849 31.700 -0.031 0.000 0.790 683 D N 2.044 122.397 120.400 -0.079 0.000 2.837 683 D HA -0.212 4.429 4.640 0.002 0.000 0.230 683 D C -0.364 175.864 176.300 -0.119 0.000 1.152 683 D CA 1.237 55.182 54.000 -0.092 0.000 0.736 683 D CB -0.945 39.813 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 4.594 4.340 0.002 0.000 0.288 684 R C -2.386 173.756 176.300 -0.263 0.000 1.360 684 R CA -1.066 54.913 56.100 -0.201 0.000 1.042 684 R CB 1.689 31.920 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 63.071 63.100 -0.563 0.000 0.816 685 P CB 0.316 31.581 31.700 -0.725 0.000 1.150 686 F N -2.102 117.714 119.950 -0.223 0.000 2.693 686 F HA 0.205 4.733 4.527 0.002 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 4.936 4.550 0.002 0.000 0.332 687 Y C 0.739 176.621 175.900 -0.031 0.000 0.960 687 Y CA -0.901 57.191 58.100 -0.013 0.000 1.228 687 Y CB 0.720 39.160 38.460 -0.033 0.000 1.120 687 Y HN -0.048 nan 8.280 nan 0.000 0.491 688 R N 0.767 121.356 120.500 0.148 0.000 2.565 688 R HA 0.064 4.405 4.340 0.002 0.000 0.347 688 R C -0.388 175.941 176.300 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 1.224 120.258 119.070 -0.061 0.000 2.908 689 H HA 0.111 4.667 4.556 0.002 0.000 0.269 689 H C 1.351 176.611 175.328 -0.114 0.000 1.303 689 H CA -0.591 55.390 56.048 -0.112 0.000 1.341 689 H CB 0.625 30.246 29.762 -0.235 0.000 1.519 689 H HN -0.136 nan 8.280 nan 0.000 0.505 690 V N 4.954 124.963 119.914 0.157 0.000 2.353 690 V HA -0.401 3.720 4.120 0.002 0.000 0.260 690 V C 1.943 178.003 176.094 -0.057 0.000 1.091 690 V CA 1.581 63.935 62.300 0.091 0.000 1.088 690 V CB -0.569 31.332 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 -0.137 0.000 2.368 691 I HA 0.060 4.231 4.170 0.002 0.000 0.238 691 I C 0.861 176.421 176.117 -0.929 0.000 1.076 691 I CA 0.850 61.673 61.300 -0.795 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 0.823 120.635 120.300 -0.814 0.000 2.328 692 Y HA 0.641 5.192 4.550 0.002 0.000 0.337 692 Y C 0.116 175.760 175.900 -0.427 0.000 1.008 692 Y CA -0.681 57.049 58.100 -0.616 0.000 1.129 692 Y CB 1.353 39.517 38.460 -0.493 0.000 1.185 692 Y HN 0.213 nan 8.280 nan 0.000 0.476 693 A N 4.017 126.729 122.820 -0.179 0.000 2.594 693 A HA 0.467 4.788 4.320 0.002 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 -0.209 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 0.212 177.379 177.300 -0.222 0.000 1.173 694 P CA 0.630 63.509 63.100 -0.368 0.000 0.760 694 P CB 0.623 32.048 31.700 -0.457 0.000 0.783 695 S N 2.662 118.239 115.700 -0.206 0.000 2.549 695 S HA 0.039 4.510 4.470 0.002 0.000 0.279 695 S C 1.753 176.282 174.600 -0.119 0.000 1.321 695 S CA -0.050 58.057 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 0.443 nan 8.310 nan 0.000 0.497 696 S N 3.420 119.050 115.700 -0.118 0.000 2.380 696 S HA -0.165 4.306 4.470 0.002 0.000 0.229 696 S C 1.418 175.816 174.600 -0.336 0.000 1.043 696 S CA 1.601 59.657 58.200 -0.241 0.000 1.038 696 S CB -0.569 62.414 63.200 -0.362 0.000 0.872 696 S HN 0.873 nan 8.310 nan 0.000 0.456 697 H N 1.356 120.391 119.070 -0.059 0.000 2.366 697 H HA 0.171 4.728 4.556 0.002 0.000 0.330 697 H C 0.694 175.931 175.328 -0.151 0.000 1.142 697 H CA 0.809 56.790 56.048 -0.112 0.000 1.655 697 H CB -1.095 28.483 29.762 -0.307 0.000 1.519 697 H HN 0.494 nan 8.280 nan 0.000 0.609 698 N N 2.888 121.505 118.700 -0.139 0.000 2.439 698 N HA 0.005 4.746 4.740 0.002 0.000 0.243 698 N C 0.278 175.715 175.510 -0.121 0.000 1.088 698 N CA -0.044 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 1.179 121.541 120.400 -0.063 0.000 2.148 699 K HA -0.173 4.148 4.320 0.002 0.000 0.204 699 K C 0.769 177.346 176.600 -0.038 0.000 1.050 699 K CA 1.101 57.320 56.287 -0.113 0.000 0.942 699 K CB -0.108 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 0.819 121.096 120.300 -0.037 0.000 2.230 700 Y HA 0.122 4.673 4.550 0.002 0.000 0.294 700 Y C 1.670 177.527 175.900 -0.071 0.000 1.120 700 Y CA 0.681 58.792 58.100 0.019 0.000 1.129 700 Y CB -0.068 38.453 38.460 0.102 0.000 1.040 700 Y HN -0.087 nan 8.280 nan 0.000 0.519 701 A N 0.723 123.460 122.820 -0.137 0.000 2.412 701 A HA 0.404 4.725 4.320 0.002 0.000 0.253 701 A C 1.074 178.488 177.584 -0.283 0.000 1.334 701 A CA 0.385 52.282 52.037 -0.234 0.000 0.929 701 A CB -1.559 17.391 19.000 -0.084 0.000 0.983 701 A HN 0.425 nan 8.150 nan 0.000 0.508 702 G N -1.019 107.566 108.800 -0.359 0.000 2.547 702 G HA2 0.522 4.483 3.960 0.002 0.000 0.291 702 G HA3 0.522 4.483 3.960 0.002 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 4.828 4.350 0.002 0.000 0.232 703 E C -0.106 176.297 176.600 -0.327 0.000 0.854 703 E CA -0.636 55.535 56.400 -0.381 0.000 0.938 703 E CB 1.119 30.685 29.700 -0.223 0.000 1.518 703 E HN 0.347 nan 8.360 nan 0.000 0.400 704 S N -0.775 114.753 115.700 -0.287 0.000 2.730 704 S HA 0.421 4.892 4.470 0.002 0.000 0.284 704 S C -0.282 174.207 174.600 -0.185 0.000 1.153 704 S CA -0.592 57.312 58.200 -0.494 0.000 0.995 704 S CB 0.170 62.701 63.200 -1.115 0.000 1.058 704 S HN 0.536 nan 8.310 nan 0.000 0.552 705 F N -0.666 119.130 119.950 -0.257 0.000 3.027 705 F HA -0.143 4.385 4.527 0.002 0.000 0.276 705 F C -1.999 173.781 175.800 -0.033 0.000 0.967 705 F CA -0.453 57.478 58.000 -0.115 0.000 0.929 705 F CB -1.621 37.351 39.000 -0.047 0.000 0.873 705 F HN 0.445 nan 8.300 nan 0.000 0.787 706 P HA -0.268 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 2.195 65.329 63.100 0.058 0.000 0.872 706 P CB -0.038 31.635 31.700 -0.045 0.000 0.790 707 G N -0.302 108.561 108.800 0.105 0.000 2.553 707 G HA2 -0.297 3.664 3.960 0.002 0.000 0.218 707 G HA3 -0.297 3.664 3.960 0.002 0.000 0.218 707 G C 1.424 176.382 174.900 0.097 0.000 1.195 707 G CA 1.254 46.404 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 -0.127 4.044 4.170 0.002 0.000 0.240 708 I C 2.386 178.583 176.117 0.134 0.000 1.078 708 I CA 1.323 62.682 61.300 0.097 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 4.142 4.550 0.002 0.000 0.272 709 Y C 2.398 178.372 175.900 0.122 0.000 1.164 709 Y CA 2.266 60.425 58.100 0.098 0.000 1.114 709 Y CB -0.490 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 0.088 120.661 120.400 0.287 0.000 2.158 710 D HA -0.243 4.398 4.640 0.002 0.000 0.197 710 D C 2.269 178.670 176.300 0.169 0.000 0.995 710 D CA 1.473 55.660 54.000 0.313 0.000 0.846 710 D CB -0.763 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 0.909 123.759 122.820 0.050 0.000 1.883 711 A HA -0.147 4.174 4.320 0.002 0.000 0.217 711 A C 2.417 179.888 177.584 -0.189 0.000 1.186 711 A CA 1.107 53.107 52.037 -0.062 0.000 0.624 711 A CB -0.795 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 -2.119 118.987 121.223 -0.195 0.000 2.240 712 L HA 0.081 4.422 4.340 0.002 0.000 0.211 712 L C 0.931 177.657 176.870 -0.241 0.000 1.106 712 L CA -0.354 54.315 54.840 -0.284 0.000 0.793 712 L CB -0.345 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 2.681 122.373 119.950 -0.430 0.000 2.549 713 F HA -0.157 4.371 4.527 0.002 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 -0.458 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 4.859 124.793 120.400 -0.776 0.000 2.811 714 D HA -0.309 4.332 4.640 0.002 0.000 0.231 714 D C 1.372 177.444 176.300 -0.380 0.000 1.157 714 D CA 0.998 54.605 54.000 -0.654 0.000 0.716 714 D CB -1.036 39.206 40.800 -0.930 0.000 1.077 714 D HN 0.801 nan 8.370 nan 0.000 0.428 715 I N 0.090 120.469 120.570 -0.318 0.000 2.454 715 I HA -0.237 3.934 4.170 0.002 0.000 0.254 715 I C 2.128 178.104 176.117 -0.235 0.000 1.156 715 I CA 1.208 62.308 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 4.056 4.350 0.002 0.000 0.209 716 E C 1.687 178.241 176.600 -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 0.725 116.366 115.700 -0.098 0.000 2.859 717 S HA 0.106 4.577 4.470 0.002 0.000 0.245 717 S C 0.230 174.780 174.600 -0.084 0.000 1.008 717 S CA -0.321 57.833 58.200 -0.077 0.000 1.089 717 S CB 0.041 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 1.562 121.904 120.400 -0.098 0.000 2.316 718 K HA 0.381 4.702 4.320 0.002 0.000 0.289 718 K C 0.977 177.547 176.600 -0.050 0.000 1.070 718 K CA -0.313 55.917 56.287 -0.094 0.000 0.928 718 K CB 0.475 32.888 32.500 -0.145 0.000 1.039 718 K HN 0.045 nan 8.250 nan 0.000 0.480 719 V N 2.081 121.974 119.914 -0.035 0.000 2.250 719 V HA -0.234 3.887 4.120 0.002 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 -0.133 120.266 120.400 -0.002 0.000 2.518 720 D HA 0.203 4.844 4.640 0.002 0.000 0.230 720 D C -1.689 174.623 176.300 0.021 0.000 1.138 720 D CA -2.242 51.770 54.000 0.019 0.000 0.964 720 D CB 1.348 42.158 40.800 0.017 0.000 1.011 720 D HN 0.156 nan 8.370 nan 0.000 0.517 721 P HA -0.195 nan 4.420 nan 0.000 0.218 721 P C 1.342 178.620 177.300 -0.037 0.000 1.147 721 P CA 0.934 64.056 63.100 0.038 0.000 0.827 721 P CB 0.430 32.213 31.700 0.139 0.000 0.778 722 S N -1.053 114.726 115.700 0.132 0.000 2.336 722 S HA -0.083 4.388 4.470 0.002 0.000 0.216 722 S C 1.796 176.460 174.600 0.106 0.000 1.032 722 S CA 1.011 59.355 58.200 0.241 0.000 0.973 722 S CB -0.476 62.903 63.200 0.300 0.000 0.888 722 S HN 0.031 nan 8.310 nan 0.000 0.455 723 K N 1.143 121.582 120.400 0.064 0.000 2.103 723 K HA -0.049 4.272 4.320 0.002 0.000 0.207 723 K C 2.346 178.928 176.600 -0.031 0.000 1.048 723 K CA 1.022 57.325 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 1.065 123.833 122.820 -0.087 0.000 1.896 724 A HA -0.220 4.101 4.320 0.002 0.000 0.220 724 A C 1.760 179.109 177.584 -0.391 0.000 1.206 724 A CA 1.910 53.803 52.037 -0.240 0.000 0.647 724 A CB -1.056 17.777 19.000 -0.277 0.000 0.828 724 A HN 0.500 nan 8.150 nan 0.000 0.455 725 W N -0.652 120.508 121.300 -0.232 0.000 2.770 725 W HA 0.247 4.908 4.660 0.002 0.000 0.256 725 W C 2.431 178.912 176.519 -0.063 0.000 1.291 725 W CA 0.425 57.664 57.345 -0.176 0.000 1.396 725 W CB -0.530 28.744 29.460 -0.309 0.000 1.114 725 W HN 0.392 nan 8.180 nan 0.000 0.637 726 G N 0.466 109.329 108.800 0.106 0.000 2.446 726 G HA2 -0.336 3.625 3.960 0.002 0.000 0.217 726 G HA3 -0.336 3.625 3.960 0.002 0.000 0.217 726 G C 1.338 176.264 174.900 0.044 0.000 1.168 726 G CA 1.536 46.692 45.100 0.093 0.000 0.771 726 G HN 0.218 nan 8.290 nan 0.000 0.551 727 E N 0.320 120.511 120.200 -0.016 0.000 2.038 727 E HA -0.113 4.238 4.350 0.002 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 -0.631 29.024 29.700 -0.075 0.000 0.750 727 E HN 0.190 nan 8.360 nan 0.000 0.448 728 V N 0.778 120.633 119.914 -0.099 0.000 2.255 728 V HA -0.271 3.850 4.120 0.002 0.000 0.247 728 V C 2.454 178.561 176.094 0.021 0.000 1.051 728 V CA 2.235 64.493 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 4.069 4.320 0.002 0.000 0.203 729 K C 2.292 178.933 176.600 0.069 0.000 1.045 729 K CA 1.597 57.948 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 0.398 nan 8.250 nan 0.000 0.460 730 R N -0.079 120.463 120.500 0.070 0.000 2.064 730 R HA -0.080 4.261 4.340 0.002 0.000 0.221 730 R C 2.113 178.479 176.300 0.110 0.000 1.136 730 R CA 1.162 57.336 56.100 0.122 0.000 0.980 730 R CB -0.096 30.258 30.300 0.090 0.000 0.876 730 R HN 0.026 nan 8.270 nan 0.000 0.437 731 Q N 0.745 120.562 119.800 0.028 0.000 2.170 731 Q HA -0.135 4.206 4.340 0.002 0.000 0.203 731 Q C 1.988 177.958 176.000 -0.050 0.000 0.976 731 Q CA 1.967 57.767 55.803 -0.005 0.000 0.858 731 Q CB -0.312 28.424 28.738 -0.002 0.000 0.907 731 Q HN 0.579 nan 8.270 nan 0.000 0.433 732 I N -1.788 118.716 120.570 -0.109 0.000 2.208 732 I HA -0.273 3.898 4.170 0.002 0.000 0.245 732 I C 2.073 178.136 176.117 -0.090 0.000 1.097 732 I CA 1.630 62.772 61.300 -0.264 0.000 1.363 732 I CB -1.111 36.608 38.000 -0.468 0.000 1.051 732 I HN 0.155 nan 8.210 nan 0.000 0.413 733 Y N 2.355 122.589 120.300 -0.109 0.000 2.070 733 Y HA -0.194 4.357 4.550 0.002 0.000 0.280 733 Y C 2.403 178.319 175.900 0.028 0.000 1.148 733 Y CA 2.110 60.187 58.100 -0.039 0.000 1.125 733 Y CB -1.138 37.303 38.460 -0.031 0.000 0.975 733 Y HN 0.069 nan 8.280 nan 0.000 0.492 734 V N 1.406 121.138 119.914 -0.303 0.000 2.255 734 V HA -0.328 3.793 4.120 0.002 0.000 0.247 734 V C 2.866 178.935 176.094 -0.041 0.000 1.051 734 V CA 2.216 64.333 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 0.339 123.153 122.820 -0.010 0.000 1.903 735 A HA -0.252 4.069 4.320 0.002 0.000 0.219 735 A C 2.457 180.073 177.584 0.053 0.000 1.191 735 A CA 2.929 55.009 52.037 0.072 0.000 0.638 735 A CB -1.065 17.903 19.000 -0.053 0.000 0.823 735 A HN 0.662 nan 8.150 nan 0.000 0.451 736 A N -1.070 121.742 122.820 -0.013 0.000 1.851 736 A HA -0.044 4.277 4.320 0.002 0.000 0.216 736 A C 2.067 179.693 177.584 0.070 0.000 1.195 736 A CA 1.821 53.872 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 0.859 nan 8.150 nan 0.000 0.444 737 F N 1.746 121.667 119.950 -0.049 0.000 2.043 737 F HA -0.248 4.280 4.527 0.002 0.000 0.297 737 F C 2.431 178.198 175.800 -0.055 0.000 1.118 737 F CA 2.591 60.553 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 0.940 115.330 114.554 -0.273 0.000 2.580 738 T HA -0.241 4.110 4.350 0.002 0.000 0.265 738 T C 2.145 176.674 174.700 -0.285 0.000 1.063 738 T CA 2.419 64.306 62.100 -0.355 0.000 1.170 738 T CB -1.095 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 1.850 121.743 119.914 -0.036 0.000 2.278 739 V HA -0.282 3.839 4.120 0.002 0.000 0.251 739 V C 2.674 178.766 176.094 -0.002 0.000 1.062 739 V CA 2.266 64.601 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 0.721 120.481 119.800 -0.067 0.000 2.002 740 Q HA -0.175 4.166 4.340 0.002 0.000 0.204 740 Q C 2.186 178.069 176.000 -0.194 0.000 0.988 740 Q CA 2.567 58.327 55.803 -0.072 0.000 0.843 740 Q CB -0.850 27.857 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 -0.098 4.223 4.320 0.002 0.000 0.218 741 A C 2.336 179.690 177.584 -0.383 0.000 1.181 741 A CA 2.221 53.975 52.037 -0.472 0.000 0.627 741 A CB -1.342 17.170 19.000 -0.813 0.000 0.818 741 A HN 0.580 nan 8.150 nan 0.000 0.445 742 A N -0.273 122.274 122.820 -0.456 0.000 1.940 742 A HA 0.096 4.417 4.320 0.002 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 17.340 19.000 -1.213 0.000 0.814 742 A HN 1.047 nan 8.150 nan 0.000 0.446 743 A N -0.163 122.598 122.820 -0.099 0.000 1.840 743 A HA -0.124 4.197 4.320 0.002 0.000 0.214 743 A C 1.805 179.234 177.584 -0.259 0.000 1.198 743 A CA 1.386 53.293 52.037 -0.215 0.000 0.608 743 A CB -0.671 18.281 19.000 -0.080 0.000 0.839 743 A HN 0.588 nan 8.150 nan 0.000 0.443 744 E N -0.343 119.744 120.200 -0.187 0.000 2.301 744 E HA -0.198 4.153 4.350 0.002 0.000 0.202 744 E C 1.899 178.392 176.600 -0.178 0.000 1.017 744 E CA 1.537 57.842 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 1.571 115.992 114.554 -0.221 0.000 2.652 745 T HA -0.156 4.195 4.350 0.002 0.000 0.267 745 T C 1.858 176.410 174.700 -0.246 0.000 1.039 745 T CA 1.011 62.977 62.100 -0.224 0.000 1.153 745 T CB -0.212 68.508 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 0.092 4.433 4.340 0.002 0.000 0.228 746 L C 1.516 178.285 176.870 -0.169 0.000 1.153 746 L CA -0.126 54.453 54.840 -0.434 0.000 0.851 746 L CB -0.419 41.296 42.059 -0.572 0.000 0.959 746 L HN 0.138 nan 8.230 nan 0.000 0.451 747 S N 0.298 115.916 115.700 -0.137 0.000 2.585 747 S HA 0.039 4.510 4.470 0.002 0.000 0.273 747 S C 0.338 174.924 174.600 -0.023 0.000 1.339 747 S CA -0.604 57.559 58.200 -0.061 0.000 1.028 747 S CB 0.410 63.564 63.200 -0.076 0.000 0.906 747 S HN 0.209 nan 8.310 nan 0.000 0.528 748 E N 1.931 122.133 120.200 0.004 0.000 2.694 748 E HA -0.015 4.336 4.350 0.002 0.000 0.250 748 E C 0.220 176.810 176.600 -0.016 0.000 0.963 748 E CA -0.037 56.368 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 1.377 121.281 119.914 -0.017 0.000 2.763 749 V HA 0.390 4.511 4.120 0.002 0.000 0.306 749 V C 0.690 176.766 176.094 -0.030 0.000 1.059 749 V CA -0.206 62.074 62.300 -0.035 0.000 1.138 749 V CB 0.228 32.028 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 4.321 4.320 0.002 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