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 3lpl_1_B DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINALGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.132 176.117 0.025 0.000 1.063 56 I CA 0.000 61.312 61.300 0.021 0.000 1.566 56 I CB 0.000 38.018 38.000 0.030 0.000 1.214 57 S N 1.470 117.186 115.700 0.026 0.000 2.768 57 S HA 0.614 5.087 4.470 0.006 0.000 0.300 57 S C -0.143 174.493 174.600 0.060 0.000 1.122 57 S CA -0.867 57.351 58.200 0.030 0.000 0.995 57 S CB 0.713 63.920 63.200 0.011 0.000 1.195 57 S HN 0.752 nan 8.310 nan 0.000 0.547 58 N N 0.264 119.004 118.700 0.067 0.000 2.381 58 N HA 0.082 4.826 4.740 0.006 0.000 0.241 58 N C -0.841 174.764 175.510 0.158 0.000 1.279 58 N CA 0.049 53.168 53.050 0.115 0.000 0.896 58 N CB -0.221 38.327 38.487 0.103 0.000 1.118 58 N HN 0.695 nan 8.380 nan 0.000 0.438 59 Y N 1.947 122.286 120.300 0.066 0.000 2.971 59 Y HA 0.221 4.774 4.550 0.006 0.000 0.384 59 Y C 0.253 176.265 175.900 0.186 0.000 1.166 59 Y CA -0.208 57.933 58.100 0.069 0.000 1.973 59 Y CB -0.792 37.745 38.460 0.128 0.000 2.082 59 Y HN 0.327 nan 8.280 nan 0.000 0.420 60 I N -2.837 117.771 120.570 0.064 0.000 3.279 60 I HA 0.503 4.677 4.170 0.006 0.000 0.315 60 I C -0.708 175.382 176.117 -0.044 0.000 1.187 60 I CA -1.626 59.757 61.300 0.139 0.000 0.953 60 I CB 1.394 39.512 38.000 0.197 0.000 1.279 60 I HN -0.209 nan 8.210 nan 0.000 0.465 61 N N 1.903 120.604 118.700 0.001 0.000 2.412 61 N HA 0.059 4.802 4.740 0.006 0.000 0.254 61 N C 0.830 176.316 175.510 -0.041 0.000 1.232 61 N CA 0.174 53.188 53.050 -0.060 0.000 0.880 61 N CB 0.825 39.314 38.487 0.005 0.000 1.076 61 N HN 0.695 nan 8.380 nan 0.000 0.458 62 T N 1.433 115.940 114.554 -0.078 0.000 2.821 62 T HA 0.020 4.373 4.350 0.006 0.000 0.267 62 T C 1.018 175.703 174.700 -0.026 0.000 1.046 62 T CA 0.853 62.919 62.100 -0.057 0.000 1.139 62 T CB 0.007 68.825 68.868 -0.083 0.000 0.871 62 T HN 0.427 nan 8.240 nan 0.000 0.454 63 I N 3.891 124.449 120.570 -0.020 0.000 2.306 63 I HA 0.249 4.422 4.170 0.006 0.000 0.288 63 I C -2.132 174.006 176.117 0.036 0.000 1.036 63 I CA -2.478 58.826 61.300 0.007 0.000 1.221 63 I CB 1.194 39.199 38.000 0.007 0.000 1.385 63 I HN 0.012 nan 8.210 nan 0.000 0.472 64 P HA 0.040 nan 4.420 nan 0.000 0.269 64 P C 1.104 178.446 177.300 0.070 0.000 1.215 64 P CA -0.228 62.909 63.100 0.061 0.000 0.780 64 P CB 1.525 33.257 31.700 0.054 0.000 0.898 65 V N 1.807 121.771 119.914 0.083 0.000 2.380 65 V HA -0.249 3.875 4.120 0.006 0.000 0.251 65 V C 2.485 178.624 176.094 0.074 0.000 1.063 65 V CA 2.368 64.719 62.300 0.086 0.000 1.055 65 V CB -1.394 30.484 31.823 0.093 0.000 0.657 65 V HN 0.685 nan 8.190 nan 0.000 0.455 66 E N 0.819 121.057 120.200 0.064 0.000 2.338 66 E HA -0.221 4.132 4.350 0.006 0.000 0.197 66 E C 1.317 177.949 176.600 0.053 0.000 1.007 66 E CA 1.290 57.723 56.400 0.055 0.000 0.849 66 E CB -0.202 29.527 29.700 0.048 0.000 0.774 66 E HN 0.766 nan 8.360 nan 0.000 0.506 67 E N 0.610 120.844 120.200 0.056 0.000 2.526 67 E HA 0.051 4.404 4.350 0.006 0.000 0.208 67 E C 0.156 176.797 176.600 0.069 0.000 0.997 67 E CA -0.246 56.186 56.400 0.053 0.000 0.961 67 E CB 0.542 30.267 29.700 0.042 0.000 1.030 67 E HN 0.204 nan 8.360 nan 0.000 0.483 68 Q N 3.060 122.910 119.800 0.083 0.000 2.295 68 Q HA 0.157 4.501 4.340 0.006 0.000 0.259 68 Q C -2.138 173.939 176.000 0.128 0.000 0.976 68 Q CA -2.052 53.819 55.803 0.113 0.000 0.923 68 Q CB 0.691 29.497 28.738 0.114 0.000 1.185 68 Q HN -0.082 nan 8.270 nan 0.000 0.410 69 P HA -0.018 nan 4.420 nan 0.000 0.272 69 P C -0.620 176.758 177.300 0.131 0.000 1.230 69 P CA -0.112 63.088 63.100 0.166 0.000 0.788 69 P CB 0.691 32.545 31.700 0.256 0.000 0.949 70 E N 0.727 120.967 120.200 0.065 0.000 2.392 70 E HA -0.033 4.320 4.350 0.006 0.000 0.264 70 E C -0.815 175.740 176.600 -0.076 0.000 1.024 70 E CA -0.295 56.120 56.400 0.024 0.000 0.903 70 E CB 0.199 29.902 29.700 0.006 0.000 0.963 70 E HN 0.357 nan 8.360 nan 0.000 0.432 71 Y N 5.972 126.142 120.300 -0.217 0.000 2.377 71 Y HA 0.103 4.656 4.550 0.006 0.000 0.330 71 Y C -1.464 174.202 175.900 -0.390 0.000 1.108 71 Y CA -1.517 56.312 58.100 -0.451 0.000 1.308 71 Y CB 1.014 39.304 38.460 -0.283 0.000 1.216 71 Y HN 0.456 nan 8.280 nan 0.000 0.518 72 P HA 0.126 nan 4.420 nan 0.000 0.230 72 P C 0.330 177.468 177.300 -0.269 0.000 1.168 72 P CA 0.601 63.383 63.100 -0.531 0.000 0.793 72 P CB 0.552 31.938 31.700 -0.524 0.000 0.851 73 G N 0.514 109.115 108.800 -0.331 0.000 2.557 73 G HA2 0.172 4.135 3.960 0.006 0.000 0.302 73 G HA3 0.172 4.135 3.960 0.006 0.000 0.302 73 G C -0.550 174.558 174.900 0.346 0.000 1.311 73 G CA -0.423 44.838 45.100 0.269 0.000 1.030 73 G HN 0.014 nan 8.290 nan 0.000 0.509 74 N N 0.627 119.521 118.700 0.322 0.000 2.555 74 N HA 0.109 4.853 4.740 0.006 0.000 0.244 74 N C 1.668 177.189 175.510 0.017 0.000 1.114 74 N CA -0.231 52.867 53.050 0.080 0.000 0.963 74 N CB 0.463 38.884 38.487 -0.111 0.000 1.276 74 N HN 0.406 nan 8.380 nan 0.000 0.510 75 L N 2.355 123.625 121.223 0.078 0.000 1.963 75 L HA -0.278 4.065 4.340 0.006 0.000 0.220 75 L C 1.819 178.665 176.870 -0.040 0.000 1.076 75 L CA 1.571 56.409 54.840 -0.004 0.000 0.772 75 L CB -0.363 41.653 42.059 -0.071 0.000 0.892 75 L HN 0.406 nan 8.230 nan 0.000 0.435 76 E N -0.057 120.116 120.200 -0.045 0.000 2.086 76 E HA -0.282 4.071 4.350 0.006 0.000 0.205 76 E C 1.917 178.462 176.600 -0.093 0.000 1.027 76 E CA 1.373 57.743 56.400 -0.050 0.000 0.830 76 E CB -0.637 29.037 29.700 -0.043 0.000 0.751 76 E HN 0.185 nan 8.360 nan 0.000 0.456 77 L N 1.200 122.315 121.223 -0.180 0.000 1.994 77 L HA -0.174 4.170 4.340 0.006 0.000 0.208 77 L C 1.945 178.633 176.870 -0.304 0.000 1.071 77 L CA 1.904 56.558 54.840 -0.310 0.000 0.745 77 L CB -0.848 40.877 42.059 -0.558 0.000 0.892 77 L HN 0.170 nan 8.230 nan 0.000 0.431 78 E N -1.177 118.851 120.200 -0.286 0.000 2.097 78 E HA -0.264 4.089 4.350 0.006 0.000 0.196 78 E C 2.326 178.930 176.600 0.007 0.000 1.000 78 E CA 0.917 57.262 56.400 -0.092 0.000 0.804 78 E CB -0.130 29.621 29.700 0.084 0.000 0.740 78 E HN 0.258 nan 8.360 nan 0.000 0.454 79 R N 0.998 121.504 120.500 0.011 0.000 2.083 79 R HA -0.111 4.232 4.340 0.006 0.000 0.237 79 R C 2.168 178.521 176.300 0.088 0.000 1.137 79 R CA 1.360 57.502 56.100 0.069 0.000 0.951 79 R CB -0.237 30.101 30.300 0.064 0.000 0.851 79 R HN 0.128 nan 8.270 nan 0.000 0.434 80 R N -0.098 120.426 120.500 0.040 0.000 2.083 80 R HA -0.072 4.272 4.340 0.006 0.000 0.237 80 R C 2.440 178.841 176.300 0.170 0.000 1.137 80 R CA 1.708 57.857 56.100 0.081 0.000 0.951 80 R CB -0.315 29.983 30.300 -0.004 0.000 0.851 80 R HN 0.249 nan 8.270 nan 0.000 0.434 81 I N -0.169 120.442 120.570 0.068 0.000 2.315 81 I HA -0.274 3.900 4.170 0.006 0.000 0.248 81 I C 2.674 178.936 176.117 0.241 0.000 1.117 81 I CA 1.089 62.494 61.300 0.174 0.000 1.404 81 I CB -0.272 37.750 38.000 0.036 0.000 1.071 81 I HN 0.173 nan 8.210 nan 0.000 0.419 82 R N 0.742 121.343 120.500 0.170 0.000 2.096 82 R HA -0.140 4.203 4.340 0.006 0.000 0.235 82 R C 2.395 178.781 176.300 0.144 0.000 1.127 82 R CA 1.737 57.933 56.100 0.159 0.000 0.968 82 R CB -0.057 30.323 30.300 0.134 0.000 0.861 82 R HN 0.183 nan 8.270 nan 0.000 0.440 83 S N 0.162 115.959 115.700 0.161 0.000 2.383 83 S HA -0.094 4.379 4.470 0.006 0.000 0.227 83 S C 1.866 176.587 174.600 0.202 0.000 1.026 83 S CA 1.052 59.343 58.200 0.152 0.000 0.981 83 S CB -0.055 63.272 63.200 0.212 0.000 0.818 83 S HN 0.561 nan 8.310 nan 0.000 0.472 84 A N 1.285 124.254 122.820 0.248 0.000 1.930 84 A HA 0.032 4.355 4.320 0.006 0.000 0.217 84 A C 2.017 179.755 177.584 0.258 0.000 1.175 84 A CA 0.918 53.088 52.037 0.221 0.000 0.627 84 A CB -0.570 18.514 19.000 0.140 0.000 0.815 84 A HN 0.483 nan 8.150 nan 0.000 0.443 85 I N -0.891 119.826 120.570 0.246 0.000 2.202 85 I HA -0.256 3.917 4.170 0.006 0.000 0.242 85 I C 2.761 179.041 176.117 0.272 0.000 1.091 85 I CA 1.246 62.690 61.300 0.240 0.000 1.368 85 I CB -0.367 37.781 38.000 0.246 0.000 1.058 85 I HN 0.286 nan 8.210 nan 0.000 0.410 86 R N 0.055 120.697 120.500 0.236 0.000 2.083 86 R HA -0.243 4.100 4.340 0.006 0.000 0.237 86 R C 2.255 178.665 176.300 0.183 0.000 1.137 86 R CA 2.060 58.263 56.100 0.171 0.000 0.951 86 R CB -0.611 29.599 30.300 -0.150 0.000 0.851 86 R HN 0.564 nan 8.270 nan 0.000 0.434 87 W N 2.263 123.587 121.300 0.040 0.000 2.332 87 W HA -0.229 4.435 4.660 0.005 0.000 0.321 87 W C 1.307 177.863 176.519 0.062 0.000 1.219 87 W CA 1.532 58.906 57.345 0.049 0.000 1.277 87 W CB -0.391 29.100 29.460 0.051 0.000 1.161 87 W HN 0.119 nan 8.180 nan 0.000 0.476 88 N N 0.826 119.661 118.700 0.225 0.000 2.149 88 N HA -0.168 4.576 4.740 0.006 0.000 0.188 88 N C 1.826 177.320 175.510 -0.026 0.000 1.019 88 N CA 2.163 55.296 53.050 0.139 0.000 0.857 88 N CB -1.070 37.540 38.487 0.205 0.000 0.997 88 N HN 0.222 nan 8.380 nan 0.000 0.426 89 A N 1.162 123.966 122.820 -0.026 0.000 1.858 89 A HA -0.065 4.258 4.320 0.006 0.000 0.216 89 A C 2.357 179.849 177.584 -0.152 0.000 1.190 89 A CA 0.991 52.958 52.037 -0.116 0.000 0.617 89 A CB -0.726 18.247 19.000 -0.045 0.000 0.827 89 A HN 0.212 nan 8.150 nan 0.000 0.443 90 I N -0.579 119.912 120.570 -0.131 0.000 2.226 90 I HA -0.271 3.902 4.170 0.006 0.000 0.245 90 I C 2.581 178.519 176.117 -0.299 0.000 1.100 90 I CA 1.065 62.252 61.300 -0.187 0.000 1.374 90 I CB -0.252 37.636 38.000 -0.188 0.000 1.057 90 I HN 0.283 nan 8.210 nan 0.000 0.413 91 M N -0.134 119.213 119.600 -0.422 0.000 2.108 91 M HA -0.176 4.308 4.480 0.006 0.000 0.261 91 M C 2.423 178.581 176.300 -0.236 0.000 1.066 91 M CA 1.904 56.942 55.300 -0.437 0.000 1.107 91 M CB -1.628 30.646 32.600 -0.542 0.000 1.356 91 M HN 0.222 nan 8.290 nan 0.000 0.406 92 T N 1.027 115.502 114.554 -0.132 0.000 2.652 92 T HA -0.103 4.250 4.350 0.006 0.000 0.267 92 T C 2.075 176.632 174.700 -0.237 0.000 1.039 92 T CA 1.652 63.657 62.100 -0.159 0.000 1.153 92 T CB -0.402 68.248 68.868 -0.363 0.000 0.863 92 T HN 0.157 nan 8.240 nan 0.000 0.428 93 V N 1.635 121.369 119.914 -0.300 0.000 2.295 93 V HA -0.123 4.000 4.120 0.006 0.000 0.246 93 V C 2.542 178.610 176.094 -0.044 0.000 1.049 93 V CA 1.508 63.721 62.300 -0.146 0.000 1.024 93 V CB -0.790 30.969 31.823 -0.107 0.000 0.648 93 V HN 0.434 nan 8.190 nan 0.000 0.447 94 L N -0.609 120.555 121.223 -0.097 0.000 2.079 94 L HA -0.189 4.155 4.340 0.006 0.000 0.210 94 L C 2.801 179.629 176.870 -0.070 0.000 1.081 94 L CA 1.645 56.434 54.840 -0.085 0.000 0.752 94 L CB -0.658 41.318 42.059 -0.139 0.000 0.896 94 L HN 0.245 nan 8.230 nan 0.000 0.433 95 R N -0.145 120.300 120.500 -0.091 0.000 2.120 95 R HA -0.118 4.226 4.340 0.006 0.000 0.234 95 R C 2.397 178.695 176.300 -0.004 0.000 1.123 95 R CA 1.244 57.304 56.100 -0.067 0.000 0.975 95 R CB -0.342 29.907 30.300 -0.084 0.000 0.866 95 R HN 0.368 nan 8.270 nan 0.000 0.446 96 A N 0.334 123.184 122.820 0.049 0.000 1.897 96 A HA -0.099 4.225 4.320 0.006 0.000 0.215 96 A C 2.210 179.820 177.584 0.044 0.000 1.181 96 A CA 1.378 53.470 52.037 0.091 0.000 0.620 96 A CB -0.321 18.823 19.000 0.241 0.000 0.821 96 A HN 0.181 nan 8.150 nan 0.000 0.443 97 S N -0.138 115.582 115.700 0.033 0.000 2.370 97 S HA -0.176 4.297 4.470 0.006 0.000 0.226 97 S C 1.928 176.530 174.600 0.003 0.000 1.033 97 S CA 1.636 59.845 58.200 0.016 0.000 1.011 97 S CB -0.269 62.936 63.200 0.009 0.000 0.852 97 S HN 0.596 nan 8.310 nan 0.000 0.457 98 K N 0.941 121.337 120.400 -0.007 0.000 2.218 98 K HA -0.112 4.211 4.320 0.006 0.000 0.205 98 K C 1.838 178.433 176.600 -0.009 0.000 1.046 98 K CA 1.025 57.304 56.287 -0.013 0.000 0.933 98 K CB -0.117 32.367 32.500 -0.026 0.000 0.728 98 K HN 0.343 nan 8.250 nan 0.000 0.454 99 K N 0.511 120.909 120.400 -0.005 0.000 2.365 99 K HA -0.113 4.210 4.320 0.006 0.000 0.199 99 K C 0.104 176.701 176.600 -0.005 0.000 1.045 99 K CA 0.664 56.948 56.287 -0.006 0.000 0.962 99 K CB -0.081 32.416 32.500 -0.004 0.000 0.759 99 K HN 0.074 nan 8.250 nan 0.000 0.469 100 D N 0.399 120.798 120.400 -0.003 0.000 2.737 100 D HA -0.167 4.477 4.640 0.006 0.000 0.238 100 D C -0.515 175.783 176.300 -0.004 0.000 1.157 100 D CA 0.453 54.452 54.000 -0.002 0.000 0.694 100 D CB -0.984 39.814 40.800 -0.002 0.000 1.021 100 D HN 0.211 nan 8.370 nan 0.000 0.420 101 L N 0.658 121.877 121.223 -0.007 0.000 3.168 101 L HA 0.211 4.554 4.340 0.006 0.000 0.277 101 L C 0.594 177.455 176.870 -0.014 0.000 1.245 101 L CA -0.482 54.352 54.840 -0.011 0.000 1.035 101 L CB 0.401 42.452 42.059 -0.014 0.000 1.399 101 L HN -0.014 nan 8.230 nan 0.000 0.580 102 E N 0.176 120.370 120.200 -0.010 0.000 2.476 102 E HA -0.239 4.114 4.350 0.006 0.000 0.251 102 E C 1.081 177.666 176.600 -0.025 0.000 1.130 102 E CA 0.527 56.921 56.400 -0.011 0.000 0.736 102 E CB -1.808 27.888 29.700 -0.008 0.000 1.298 102 E HN 0.518 nan 8.360 nan 0.000 0.400 103 L N -0.998 120.205 121.223 -0.034 0.000 2.093 103 L HA -0.078 4.265 4.340 0.006 0.000 0.208 103 L C 1.629 178.445 176.870 -0.089 0.000 1.085 103 L CA 1.326 56.122 54.840 -0.073 0.000 0.755 103 L CB -0.532 41.479 42.059 -0.079 0.000 0.904 103 L HN 0.531 nan 8.230 nan 0.000 0.435 104 G N -0.834 107.941 108.800 -0.042 0.000 2.660 104 G HA2 0.195 4.158 3.960 0.006 0.000 0.215 104 G HA3 0.195 4.158 3.960 0.006 0.000 0.215 104 G C -0.016 174.874 174.900 -0.018 0.000 1.345 104 G CA -0.400 44.667 45.100 -0.055 0.000 0.877 104 G HN 0.913 nan 8.290 nan 0.000 0.549 105 G N -2.228 106.501 108.800 -0.119 0.000 2.465 105 G HA2 0.553 4.516 3.960 0.006 0.000 0.681 105 G HA3 0.553 4.516 3.960 0.006 0.000 0.681 105 G C -0.876 173.939 174.900 -0.141 0.000 1.340 105 G CA 0.397 45.503 45.100 0.011 0.000 0.884 105 G HN 1.673 nan 8.290 nan 0.000 0.650 106 H N -0.026 119.195 119.070 0.251 0.000 2.710 106 H HA 0.809 5.368 4.556 0.005 0.000 0.361 106 H C 1.219 176.651 175.328 0.175 0.000 1.175 106 H CA -0.858 55.324 56.048 0.224 0.000 1.206 106 H CB 2.016 31.964 29.762 0.310 0.000 1.750 106 H HN 0.477 nan 8.280 nan 0.000 0.553 107 M N -0.211 119.581 119.600 0.320 0.000 2.069 107 M HA 0.209 4.692 4.480 0.006 0.000 0.208 107 M C 2.071 178.529 176.300 0.263 0.000 1.459 107 M CA 0.634 56.079 55.300 0.240 0.000 0.992 107 M CB 0.290 32.985 32.600 0.157 0.000 1.566 107 M HN 0.632 nan 8.290 nan 0.000 0.571 108 A N 0.369 123.338 122.820 0.248 0.000 1.892 108 A HA -0.212 4.112 4.320 0.006 0.000 0.218 108 A C 2.193 179.919 177.584 0.238 0.000 1.188 108 A CA 2.663 54.837 52.037 0.228 0.000 0.631 108 A CB -1.010 18.110 19.000 0.200 0.000 0.822 108 A HN 0.463 nan 8.150 nan 0.000 0.447 109 S N -1.674 114.182 115.700 0.259 0.000 2.348 109 S HA -0.167 4.307 4.470 0.006 0.000 0.221 109 S C 1.775 176.522 174.600 0.244 0.000 1.033 109 S CA 1.669 60.009 58.200 0.234 0.000 1.010 109 S CB -0.523 62.814 63.200 0.228 0.000 0.891 109 S HN 0.612 nan 8.310 nan 0.000 0.442 110 F N 2.470 122.490 119.950 0.118 0.000 2.161 110 F HA -0.054 4.476 4.527 0.006 0.000 0.300 110 F C 2.494 178.386 175.800 0.154 0.000 1.089 110 F CA 1.701 59.769 58.000 0.113 0.000 1.282 110 F CB -0.670 38.365 39.000 0.057 0.000 1.010 110 F HN 0.233 nan 8.300 nan 0.000 0.485 111 Q N 0.112 119.966 119.800 0.091 0.000 2.135 111 Q HA -0.179 4.164 4.340 0.006 0.000 0.204 111 Q C 2.581 178.674 176.000 0.155 0.000 0.981 111 Q CA 1.875 57.712 55.803 0.058 0.000 0.856 111 Q CB -0.779 28.084 28.738 0.208 0.000 0.902 111 Q HN 0.597 nan 8.270 nan 0.000 0.425 112 S N -0.420 115.383 115.700 0.172 0.000 2.436 112 S HA -0.045 4.428 4.470 0.006 0.000 0.228 112 S C 1.846 176.429 174.600 -0.029 0.000 1.014 112 S CA 1.087 59.391 58.200 0.174 0.000 0.950 112 S CB -0.041 63.256 63.200 0.162 0.000 0.784 112 S HN 0.310 nan 8.310 nan 0.000 0.504 113 S N 0.120 115.813 115.700 -0.012 0.000 2.559 113 S HA 0.615 5.088 4.470 0.006 0.000 0.226 113 S C 1.720 176.333 174.600 0.022 0.000 1.000 113 S CA 0.143 58.343 58.200 -0.000 0.000 0.948 113 S CB 0.128 63.434 63.200 0.178 0.000 0.870 113 S HN 0.627 nan 8.310 nan 0.000 0.497 114 A N 2.474 125.146 122.820 -0.246 0.000 1.917 114 A HA -0.084 4.239 4.320 0.006 0.000 0.219 114 A C 2.285 179.859 177.584 -0.016 0.000 1.182 114 A CA 2.377 54.171 52.037 -0.405 0.000 0.633 114 A CB -1.726 16.769 19.000 -0.842 0.000 0.819 114 A HN 0.557 nan 8.150 nan 0.000 0.448 115 T N 0.181 114.721 114.554 -0.025 0.000 2.821 115 T HA -0.054 4.299 4.350 0.006 0.000 0.267 115 T C 1.764 176.506 174.700 0.069 0.000 1.046 115 T CA 1.388 63.516 62.100 0.046 0.000 1.139 115 T CB -0.405 68.478 68.868 0.024 0.000 0.871 115 T HN 0.453 nan 8.240 nan 0.000 0.454 116 I N -0.137 120.443 120.570 0.017 0.000 2.142 116 I HA -0.186 3.988 4.170 0.006 0.000 0.240 116 I C 2.153 178.249 176.117 -0.036 0.000 1.078 116 I CA 1.559 62.872 61.300 0.022 0.000 1.343 116 I CB -0.437 37.561 38.000 -0.003 0.000 1.046 116 I HN 0.193 nan 8.210 nan 0.000 0.405 117 Y N 0.696 121.038 120.300 0.070 0.000 2.224 117 Y HA -0.295 4.258 4.550 0.005 0.000 0.289 117 Y C 2.332 178.313 175.900 0.135 0.000 1.146 117 Y CA 1.829 59.960 58.100 0.051 0.000 1.182 117 Y CB -0.656 37.979 38.460 0.292 0.000 0.983 117 Y HN 0.216 nan 8.280 nan 0.000 0.524 118 D N -0.441 120.174 120.400 0.358 0.000 2.123 118 D HA -0.163 4.480 4.640 0.006 0.000 0.196 118 D C 2.165 178.614 176.300 0.247 0.000 0.992 118 D CA 1.254 55.449 54.000 0.325 0.000 0.833 118 D CB -0.145 40.805 40.800 0.250 0.000 0.954 118 D HN 0.091 nan 8.370 nan 0.000 0.455 119 V N -0.336 119.695 119.914 0.195 0.000 2.407 119 V HA -0.264 3.859 4.120 0.006 0.000 0.248 119 V C 2.627 178.794 176.094 0.122 0.000 1.055 119 V CA 1.409 63.891 62.300 0.304 0.000 1.049 119 V CB -0.335 31.687 31.823 0.332 0.000 0.662 119 V HN 0.453 nan 8.190 nan 0.000 0.455 120 C N -0.841 118.251 119.300 -0.347 0.000 2.446 120 C HA -0.089 4.374 4.460 0.006 0.000 0.277 120 C C 2.474 177.002 174.990 -0.770 0.000 1.275 120 C CA 0.539 58.998 59.018 -0.930 0.000 1.727 120 C CB -1.180 25.346 27.740 -2.023 0.000 2.010 120 C HN 0.531 nan 8.230 nan 0.000 0.486 121 F N 1.595 121.357 119.950 -0.313 0.000 2.325 121 F HA -0.044 4.486 4.527 0.005 0.000 0.299 121 F C 2.305 178.052 175.800 -0.088 0.000 1.090 121 F CA 1.211 59.190 58.000 -0.035 0.000 1.392 121 F CB -0.475 38.596 39.000 0.119 0.000 1.053 121 F HN 0.293 nan 8.300 nan 0.000 0.521 122 N N -1.512 117.202 118.700 0.023 0.000 2.395 122 N HA -0.054 4.689 4.740 0.006 0.000 0.175 122 N C 1.135 176.220 175.510 -0.708 0.000 1.029 122 N CA 0.998 53.868 53.050 -0.299 0.000 0.897 122 N CB -0.057 38.250 38.487 -0.300 0.000 0.991 122 N HN 0.388 nan 8.380 nan 0.000 0.441 123 H N -2.769 116.243 119.070 -0.097 0.000 3.535 123 H HA 0.223 4.782 4.556 0.005 0.000 0.260 123 H C 0.439 175.373 175.328 -0.658 0.000 1.173 123 H CA -0.016 55.831 56.048 -0.335 0.000 1.168 123 H CB 0.588 30.158 29.762 -0.319 0.000 1.568 123 H HN 0.090 nan 8.280 nan 0.000 0.602 124 F N -0.334 119.548 119.950 -0.113 0.000 2.496 124 F HA 0.185 4.715 4.527 0.006 0.000 0.274 124 F C 0.382 176.221 175.800 0.064 0.000 0.924 124 F CA -0.387 57.560 58.000 -0.089 0.000 1.147 124 F CB 0.132 38.972 39.000 -0.267 0.000 0.969 124 F HN -0.177 nan 8.300 nan 0.000 0.749 125 F N 3.777 123.757 119.950 0.049 0.000 2.546 125 F HA 0.144 4.674 4.527 0.005 0.000 0.388 125 F C 0.771 176.619 175.800 0.080 0.000 1.051 125 F CA -0.494 57.516 58.000 0.017 0.000 1.130 125 F CB -0.571 38.323 39.000 -0.178 0.000 1.044 125 F HN -0.222 nan 8.300 nan 0.000 0.553 126 R N 2.431 123.125 120.500 0.323 0.000 2.265 126 R HA 0.628 4.972 4.340 0.006 0.000 0.314 126 R C 0.116 176.516 176.300 0.167 0.000 1.053 126 R CA -0.603 55.632 56.100 0.224 0.000 0.931 126 R CB 0.985 31.408 30.300 0.205 0.000 1.024 126 R HN 0.675 nan 8.270 nan 0.000 0.457 127 A N 2.882 125.789 122.820 0.145 0.000 2.271 127 A HA 0.284 4.608 4.320 0.006 0.000 0.288 127 A C 0.123 177.737 177.584 0.050 0.000 1.094 127 A CA -0.644 51.452 52.037 0.098 0.000 0.828 127 A CB 0.463 19.514 19.000 0.085 0.000 1.091 127 A HN 0.830 nan 8.150 nan 0.000 0.493 128 R N 0.348 120.866 120.500 0.031 0.000 2.583 128 R HA 0.098 4.441 4.340 0.006 0.000 0.274 128 R C -0.051 176.228 176.300 -0.035 0.000 0.998 128 R CA 1.197 57.295 56.100 -0.003 0.000 1.081 128 R CB -0.084 30.220 30.300 0.007 0.000 0.940 128 R HN 0.993 nan 8.270 nan 0.000 0.413 129 N N 0.069 118.706 118.700 -0.106 0.000 3.387 129 N HA 0.057 4.801 4.740 0.006 0.000 0.322 129 N C -0.175 175.273 175.510 -0.103 0.000 1.588 129 N CA -0.915 52.035 53.050 -0.168 0.000 0.778 129 N CB 0.573 38.704 38.487 -0.593 0.000 1.883 129 N HN 0.575 nan 8.380 nan 0.000 0.628 130 E N -1.209 118.939 120.200 -0.087 0.000 2.150 130 E HA -0.164 4.189 4.350 0.006 0.000 0.193 130 E C 0.875 177.453 176.600 -0.038 0.000 0.985 130 E CA 1.282 57.663 56.400 -0.032 0.000 0.814 130 E CB 0.119 29.819 29.700 -0.001 0.000 0.752 130 E HN 0.452 nan 8.360 nan 0.000 0.466 131 Q N 0.468 120.223 119.800 -0.075 0.000 2.204 131 Q HA 0.030 4.373 4.340 0.006 0.000 0.198 131 Q C 0.165 176.139 176.000 -0.043 0.000 0.946 131 Q CA 1.081 56.854 55.803 -0.051 0.000 0.859 131 Q CB 0.232 28.938 28.738 -0.053 0.000 0.946 131 Q HN 0.407 nan 8.270 nan 0.000 0.474 132 D N -3.347 117.017 120.400 -0.061 0.000 2.692 132 D HA 0.309 4.952 4.640 0.006 0.000 0.303 132 D C 0.550 176.835 176.300 -0.026 0.000 1.278 132 D CA -0.340 53.641 54.000 -0.031 0.000 0.852 132 D CB -0.036 40.749 40.800 -0.024 0.000 1.375 132 D HN -0.093 nan 8.370 nan 0.000 0.453 133 G N -1.369 107.435 108.800 0.007 0.000 2.776 133 G HA2 0.429 4.393 3.960 0.006 0.000 0.209 133 G HA3 0.429 4.393 3.960 0.006 0.000 0.209 133 G C 0.984 175.901 174.900 0.028 0.000 1.145 133 G CA 0.487 45.600 45.100 0.022 0.000 0.791 133 G HN 1.139 nan 8.290 nan 0.000 0.530 134 G N -0.053 108.758 108.800 0.018 0.000 2.681 134 G HA2 -0.198 3.765 3.960 0.006 0.000 0.220 134 G HA3 -0.198 3.765 3.960 0.006 0.000 0.220 134 G C -0.795 174.156 174.900 0.085 0.000 1.353 134 G CA -0.307 44.819 45.100 0.043 0.000 0.872 134 G HN 0.231 nan 8.290 nan 0.000 0.557 135 D N 0.391 120.865 120.400 0.123 0.000 2.382 135 D HA 0.407 5.051 4.640 0.006 0.000 0.245 135 D C 0.729 177.103 176.300 0.123 0.000 1.120 135 D CA 0.205 54.298 54.000 0.155 0.000 0.890 135 D CB 0.886 41.877 40.800 0.318 0.000 1.201 135 D HN 0.463 nan 8.370 nan 0.000 0.433 136 L N 2.074 123.381 121.223 0.140 0.000 2.270 136 L HA 0.267 4.610 4.340 0.006 0.000 0.286 136 L C -0.317 176.632 176.870 0.132 0.000 1.059 136 L CA -0.822 54.135 54.840 0.194 0.000 0.839 136 L CB 0.891 43.047 42.059 0.162 0.000 1.221 136 L HN -0.055 nan 8.230 nan 0.000 0.431 137 V N 3.315 123.250 119.914 0.035 0.000 2.364 137 V HA 0.181 4.304 4.120 0.006 0.000 0.272 137 V C -0.463 175.573 176.094 -0.097 0.000 1.036 137 V CA -0.468 61.719 62.300 -0.187 0.000 0.880 137 V CB 0.793 32.000 31.823 -1.027 0.000 0.991 137 V HN 0.390 nan 8.190 nan 0.000 0.460 138 Y N 4.920 125.192 120.300 -0.048 0.000 2.691 138 Y HA 0.445 4.998 4.550 0.005 0.000 0.338 138 Y C 0.265 176.263 175.900 0.162 0.000 1.148 138 Y CA -1.050 57.105 58.100 0.092 0.000 1.430 138 Y CB -0.222 38.236 38.460 -0.002 0.000 1.303 138 Y HN 0.502 nan 8.280 nan 0.000 0.499 139 F N 1.086 121.238 119.950 0.337 0.000 2.572 139 F HA 0.029 4.559 4.527 0.005 0.000 0.370 139 F C 1.042 176.971 175.800 0.215 0.000 1.103 139 F CA -0.224 57.929 58.000 0.256 0.000 1.286 139 F CB 0.476 39.556 39.000 0.134 0.000 1.105 139 F HN 0.348 nan 8.300 nan 0.000 0.583 140 Q N 2.366 122.436 119.800 0.450 0.000 2.274 140 Q HA 0.080 4.424 4.340 0.006 0.000 0.280 140 Q C 1.359 177.439 176.000 0.134 0.000 1.047 140 Q CA 0.325 56.287 55.803 0.265 0.000 0.907 140 Q CB 1.056 29.934 28.738 0.233 0.000 1.171 140 Q HN 0.970 nan 8.270 nan 0.000 0.381 141 G N 3.718 112.580 108.800 0.103 0.000 2.476 141 G HA2 -0.314 3.649 3.960 0.006 0.000 0.218 141 G HA3 -0.314 3.649 3.960 0.006 0.000 0.218 141 G C 0.925 175.930 174.900 0.174 0.000 1.164 141 G CA 1.108 46.222 45.100 0.024 0.000 0.768 141 G HN 0.965 nan 8.290 nan 0.000 0.560 142 H N 0.567 119.712 119.070 0.124 0.000 2.553 142 H HA 0.111 4.670 4.556 0.006 0.000 0.269 142 H C 1.736 177.233 175.328 0.282 0.000 1.011 142 H CA 0.659 56.914 56.048 0.344 0.000 1.150 142 H CB -0.407 29.520 29.762 0.276 0.000 1.339 142 H HN 0.550 nan 8.280 nan 0.000 0.604 143 I N -0.653 119.905 120.570 -0.021 0.000 3.904 143 I HA 0.167 4.340 4.170 0.006 0.000 0.333 143 I C 1.857 177.846 176.117 -0.212 0.000 1.361 143 I CA -0.053 61.230 61.300 -0.028 0.000 1.116 143 I CB -0.090 37.964 38.000 0.091 0.000 1.028 143 I HN 0.083 nan 8.210 nan 0.000 0.398 144 S N 1.124 116.745 115.700 -0.131 0.000 2.420 144 S HA -0.023 4.451 4.470 0.006 0.000 0.237 144 S C -0.414 173.916 174.600 -0.450 0.000 1.023 144 S CA 0.971 59.006 58.200 -0.275 0.000 0.991 144 S CB -1.933 61.123 63.200 -0.240 0.000 0.792 144 S HN 0.361 nan 8.310 nan 0.000 0.488 145 P HA 0.041 nan 4.420 nan 0.000 0.217 145 P C 1.858 178.842 177.300 -0.528 0.000 1.150 145 P CA 1.583 64.480 63.100 -0.339 0.000 0.832 145 P CB -0.665 30.837 31.700 -0.331 0.000 0.787 146 G N -0.622 107.557 108.800 -1.034 0.000 2.422 146 G HA2 -0.181 3.782 3.960 0.006 0.000 0.218 146 G HA3 -0.181 3.782 3.960 0.006 0.000 0.218 146 G C 1.552 175.964 174.900 -0.813 0.000 1.140 146 G CA 0.475 44.556 45.100 -1.700 0.000 0.775 146 G HN 0.147 nan 8.290 nan 0.000 0.545 147 V N 0.019 119.546 119.914 -0.645 0.000 2.358 147 V HA -0.139 3.984 4.120 0.006 0.000 0.246 147 V C 2.417 178.378 176.094 -0.222 0.000 1.047 147 V CA 1.153 63.188 62.300 -0.442 0.000 1.035 147 V CB -0.691 30.835 31.823 -0.494 0.000 0.658 147 V HN 0.362 nan 8.190 nan 0.000 0.452 148 Y N 0.881 121.064 120.300 -0.194 0.000 2.224 148 Y HA -0.123 4.430 4.550 0.005 0.000 0.289 148 Y C 2.557 178.343 175.900 -0.190 0.000 1.146 148 Y CA 0.749 58.728 58.100 -0.202 0.000 1.182 148 Y CB -1.350 36.987 38.460 -0.205 0.000 0.983 148 Y HN 0.200 nan 8.280 nan 0.000 0.524 149 A N 0.204 122.987 122.820 -0.062 0.000 1.877 149 A HA -0.220 4.103 4.320 0.006 0.000 0.216 149 A C 2.420 180.024 177.584 0.034 0.000 1.186 149 A CA 1.851 53.872 52.037 -0.027 0.000 0.620 149 A CB -0.732 18.235 19.000 -0.056 0.000 0.822 149 A HN 0.419 nan 8.150 nan 0.000 0.443 150 R N -0.310 120.148 120.500 -0.070 0.000 2.081 150 R HA -0.082 4.262 4.340 0.006 0.000 0.235 150 R C 2.260 178.507 176.300 -0.089 0.000 1.131 150 R CA 1.541 57.574 56.100 -0.112 0.000 0.960 150 R CB -0.464 29.641 30.300 -0.325 0.000 0.856 150 R HN 0.400 nan 8.270 nan 0.000 0.436 151 A N 0.598 123.387 122.820 -0.051 0.000 1.940 151 A HA -0.202 4.122 4.320 0.006 0.000 0.219 151 A C 1.990 179.568 177.584 -0.010 0.000 1.176 151 A CA 1.395 53.429 52.037 -0.004 0.000 0.631 151 A CB -0.845 18.221 19.000 0.110 0.000 0.814 151 A HN 0.577 nan 8.150 nan 0.000 0.446 152 F N 0.120 119.988 119.950 -0.137 0.000 2.102 152 F HA -0.152 4.379 4.527 0.006 0.000 0.298 152 F C 1.780 177.520 175.800 -0.099 0.000 1.105 152 F CA 1.760 59.665 58.000 -0.158 0.000 1.239 152 F CB -0.458 38.407 39.000 -0.224 0.000 0.991 152 F HN 0.172 nan 8.300 nan 0.000 0.474 153 L N 0.906 122.032 121.223 -0.161 0.000 2.131 153 L HA -0.163 4.181 4.340 0.006 0.000 0.210 153 L C 2.013 178.790 176.870 -0.155 0.000 1.092 153 L CA 1.804 56.528 54.840 -0.194 0.000 0.759 153 L CB -0.927 41.144 42.059 0.020 0.000 0.903 153 L HN 0.257 nan 8.230 nan 0.000 0.435 154 E N -0.974 119.130 120.200 -0.160 0.000 2.511 154 E HA 0.121 4.474 4.350 0.006 0.000 0.196 154 E C 1.275 177.811 176.600 -0.107 0.000 1.066 154 E CA 0.510 56.805 56.400 -0.175 0.000 0.871 154 E CB -0.161 29.408 29.700 -0.218 0.000 0.863 154 E HN 0.547 nan 8.360 nan 0.000 0.520 155 G N 1.991 110.689 108.800 -0.169 0.000 2.153 155 G HA2 -0.354 3.609 3.960 0.006 0.000 0.252 155 G HA3 -0.354 3.609 3.960 0.006 0.000 0.252 155 G C 0.860 175.667 174.900 -0.155 0.000 0.994 155 G CA 0.476 45.475 45.100 -0.169 0.000 0.698 155 G HN 0.281 nan 8.290 nan 0.000 0.521 156 R N -1.079 119.328 120.500 -0.155 0.000 2.223 156 R HA 0.360 4.703 4.340 0.006 0.000 0.198 156 R C 0.934 177.179 176.300 -0.091 0.000 0.984 156 R CA 0.445 56.471 56.100 -0.123 0.000 1.018 156 R CB 0.345 30.582 30.300 -0.104 0.000 0.945 156 R HN 0.425 nan 8.270 nan 0.000 0.479 157 L N 0.902 122.082 121.223 -0.072 0.000 2.354 157 L HA 0.326 4.669 4.340 0.006 0.000 0.269 157 L C 0.268 177.167 176.870 0.049 0.000 1.005 157 L CA -0.891 53.903 54.840 -0.076 0.000 0.819 157 L CB 2.198 44.172 42.059 -0.143 0.000 1.311 157 L HN 0.019 nan 8.230 nan 0.000 0.423 158 T N -2.357 112.197 114.554 0.001 0.000 2.902 158 T HA 0.143 4.496 4.350 0.006 0.000 0.280 158 T C 0.630 175.348 174.700 0.030 0.000 0.992 158 T CA -0.476 61.663 62.100 0.065 0.000 1.015 158 T CB 1.711 70.578 68.868 -0.001 0.000 1.044 158 T HN 0.696 nan 8.240 nan 0.000 0.520 159 Q N -0.075 119.778 119.800 0.088 0.000 2.124 159 Q HA -0.186 4.157 4.340 0.006 0.000 0.202 159 Q C 2.158 178.061 176.000 -0.162 0.000 0.977 159 Q CA 1.917 57.609 55.803 -0.185 0.000 0.850 159 Q CB -0.136 28.629 28.738 0.045 0.000 0.901 159 Q HN 0.933 nan 8.270 nan 0.000 0.429 160 E N -0.167 119.995 120.200 -0.064 0.000 2.110 160 E HA -0.259 4.095 4.350 0.006 0.000 0.193 160 E C 1.907 178.447 176.600 -0.100 0.000 0.988 160 E CA 1.244 57.611 56.400 -0.055 0.000 0.804 160 E CB 0.036 29.714 29.700 -0.036 0.000 0.745 160 E HN 0.477 nan 8.360 nan 0.000 0.458 161 Q N 0.318 120.033 119.800 -0.142 0.000 2.050 161 Q HA -0.146 4.197 4.340 0.006 0.000 0.202 161 Q C 2.492 178.350 176.000 -0.237 0.000 0.980 161 Q CA 1.546 57.234 55.803 -0.191 0.000 0.840 161 Q CB -0.111 28.490 28.738 -0.230 0.000 0.898 161 Q HN 0.383 nan 8.270 nan 0.000 0.424 162 L N 0.857 121.876 121.223 -0.339 0.000 2.079 162 L HA -0.218 4.126 4.340 0.006 0.000 0.210 162 L C 1.602 178.391 176.870 -0.135 0.000 1.081 162 L CA 0.849 55.460 54.840 -0.382 0.000 0.752 162 L CB -0.381 41.168 42.059 -0.850 0.000 0.896 162 L HN 0.228 nan 8.230 nan 0.000 0.433 163 D N -0.222 120.131 120.400 -0.078 0.000 2.348 163 D HA -0.088 4.556 4.640 0.006 0.000 0.216 163 D C 1.004 177.314 176.300 0.016 0.000 0.970 163 D CA 0.754 54.772 54.000 0.030 0.000 0.889 163 D CB -0.073 40.751 40.800 0.039 0.000 0.912 163 D HN 0.286 nan 8.370 nan 0.000 0.524 164 N N 0.329 119.016 118.700 -0.021 0.000 2.321 164 N HA 0.008 4.751 4.740 0.006 0.000 0.242 164 N C -0.218 175.278 175.510 -0.023 0.000 1.141 164 N CA -0.351 52.684 53.050 -0.026 0.000 0.864 164 N CB -0.109 38.347 38.487 -0.052 0.000 1.100 164 N HN 0.085 nan 8.380 nan 0.000 0.510 165 F N 2.268 122.132 119.950 -0.144 0.000 2.602 165 F HA 0.031 4.561 4.527 0.005 0.000 0.385 165 F C 1.222 176.967 175.800 -0.093 0.000 1.063 165 F CA 0.174 58.085 58.000 -0.149 0.000 1.233 165 F CB 0.311 39.241 39.000 -0.116 0.000 1.067 165 F HN 0.158 nan 8.300 nan 0.000 0.564 166 R N 2.769 122.844 120.500 -0.708 0.000 3.875 166 R HA -0.222 4.122 4.340 0.006 0.000 0.321 166 R C -0.707 175.431 176.300 -0.269 0.000 1.196 166 R CA 1.095 56.842 56.100 -0.589 0.000 0.868 166 R CB -1.761 28.064 30.300 -0.791 0.000 1.333 166 R HN 0.804 nan 8.270 nan 0.000 0.522 167 Q N 0.266 119.964 119.800 -0.171 0.000 3.090 167 Q HA 0.075 4.418 4.340 0.006 0.000 0.241 167 Q C 0.294 176.260 176.000 -0.057 0.000 0.958 167 Q CA -0.218 55.537 55.803 -0.080 0.000 0.715 167 Q CB 1.169 29.886 28.738 -0.036 0.000 1.298 167 Q HN 0.428 nan 8.270 nan 0.000 0.468 168 E N -0.345 119.814 120.200 -0.068 0.000 2.498 168 E HA 0.044 4.398 4.350 0.006 0.000 0.203 168 E C 0.950 177.512 176.600 -0.063 0.000 1.013 168 E CA 0.063 56.430 56.400 -0.055 0.000 0.927 168 E CB 0.409 30.078 29.700 -0.052 0.000 1.012 168 E HN 0.169 nan 8.360 nan 0.000 0.482 169 V N 1.340 121.192 119.914 -0.103 0.000 2.594 169 V HA -0.218 3.905 4.120 0.006 0.000 0.253 169 V C 1.209 177.120 176.094 -0.304 0.000 1.069 169 V CA 2.000 64.172 62.300 -0.212 0.000 1.082 169 V CB -0.713 30.929 31.823 -0.302 0.000 0.680 169 V HN 0.414 nan 8.190 nan 0.000 0.469 170 H N -0.921 118.130 119.070 -0.032 0.000 2.526 170 H HA 0.386 4.946 4.556 0.005 0.000 0.274 170 H C 1.625 176.935 175.328 -0.029 0.000 0.999 170 H CA 0.701 56.732 56.048 -0.028 0.000 1.157 170 H CB 0.484 30.228 29.762 -0.029 0.000 1.407 170 H HN 0.455 nan 8.280 nan 0.000 0.568 171 G N 0.745 109.561 108.800 0.026 0.000 2.475 171 G HA2 -0.316 3.648 3.960 0.006 0.000 0.209 171 G HA3 -0.316 3.648 3.960 0.006 0.000 0.209 171 G C 0.724 175.616 174.900 -0.013 0.000 1.127 171 G CA 0.054 45.158 45.100 0.005 0.000 0.681 171 G HN 0.477 nan 8.290 nan 0.000 0.517 172 N N 1.508 120.202 118.700 -0.010 0.000 2.546 172 N HA 0.459 5.202 4.740 0.006 0.000 0.286 172 N C 0.686 176.152 175.510 -0.072 0.000 1.259 172 N CA 0.630 53.654 53.050 -0.043 0.000 0.939 172 N CB -0.001 38.465 38.487 -0.035 0.000 1.243 172 N HN 0.652 nan 8.380 nan 0.000 0.511 173 G N 0.096 108.849 108.800 -0.079 0.000 3.108 173 G HA2 0.645 4.609 3.960 0.006 0.000 0.268 173 G HA3 0.645 4.609 3.960 0.006 0.000 0.268 173 G C -1.073 173.729 174.900 -0.164 0.000 1.361 173 G CA -0.512 44.520 45.100 -0.113 0.000 1.047 173 G HN 0.137 nan 8.290 nan 0.000 0.540 174 L N 0.362 121.466 121.223 -0.197 0.000 2.362 174 L HA 0.444 4.787 4.340 0.006 0.000 0.271 174 L C 0.160 176.982 176.870 -0.080 0.000 1.002 174 L CA -0.801 53.892 54.840 -0.246 0.000 0.818 174 L CB 2.285 43.957 42.059 -0.646 0.000 1.298 174 L HN 0.415 nan 8.230 nan 0.000 0.420 175 S N -0.042 115.739 115.700 0.135 0.000 2.585 175 S HA 0.043 4.516 4.470 0.006 0.000 0.273 175 S C 1.234 175.895 174.600 0.101 0.000 1.339 175 S CA -0.186 58.106 58.200 0.152 0.000 1.028 175 S CB 1.472 64.869 63.200 0.328 0.000 0.906 175 S HN 0.842 nan 8.310 nan 0.000 0.528 176 S N 0.929 116.519 115.700 -0.184 0.000 2.368 176 S HA -0.089 4.385 4.470 0.006 0.000 0.225 176 S C 0.076 174.360 174.600 -0.526 0.000 1.030 176 S CA 1.034 58.905 58.200 -0.548 0.000 0.999 176 S CB -0.524 62.137 63.200 -0.899 0.000 0.844 176 S HN 0.691 nan 8.310 nan 0.000 0.459 177 Y N 0.456 120.715 120.300 -0.068 0.000 2.698 177 Y HA 0.596 5.149 4.550 0.005 0.000 0.332 177 Y C -2.996 172.291 175.900 -1.023 0.000 1.119 177 Y CA -3.193 54.639 58.100 -0.447 0.000 1.109 177 Y CB -0.025 38.210 38.460 -0.375 0.000 1.308 177 Y HN -0.180 nan 8.280 nan 0.000 0.499 178 P HA 0.104 nan 4.420 nan 0.000 0.263 178 P C -1.109 175.704 177.300 -0.811 0.000 1.247 178 P CA 0.715 62.807 63.100 -1.679 0.000 0.876 178 P CB -0.087 30.949 31.700 -1.107 0.000 0.928 179 H N 4.534 123.505 119.070 -0.166 0.000 2.953 179 H HA 0.195 4.754 4.556 0.005 0.000 0.290 179 H C -1.963 173.489 175.328 0.207 0.000 1.113 179 H CA -1.980 54.113 56.048 0.075 0.000 1.454 179 H CB 1.420 31.236 29.762 0.090 0.000 1.525 179 H HN 0.211 nan 8.280 nan 0.000 0.505 180 P HA -0.204 nan 4.420 nan 0.000 0.216 180 P C 1.844 179.247 177.300 0.172 0.000 1.153 180 P CA 1.374 64.601 63.100 0.213 0.000 0.858 180 P CB 0.650 32.408 31.700 0.098 0.000 0.789 181 K N 0.113 120.594 120.400 0.134 0.000 2.074 181 K HA -0.152 4.171 4.320 0.006 0.000 0.209 181 K C 1.833 178.485 176.600 0.086 0.000 1.048 181 K CA 1.655 57.988 56.287 0.075 0.000 0.926 181 K CB -1.135 31.371 32.500 0.010 0.000 0.713 181 K HN 0.093 nan 8.250 nan 0.000 0.444 182 L N -1.036 120.270 121.223 0.139 0.000 2.209 182 L HA 0.145 4.488 4.340 0.006 0.000 0.207 182 L C 0.898 177.861 176.870 0.155 0.000 1.094 182 L CA 0.454 55.372 54.840 0.130 0.000 0.790 182 L CB -0.015 42.138 42.059 0.157 0.000 0.932 182 L HN 0.131 nan 8.230 nan 0.000 0.447 183 M N 0.781 120.523 119.600 0.236 0.000 2.389 183 M HA 0.217 4.700 4.480 0.006 0.000 0.206 183 M C -1.825 174.600 176.300 0.208 0.000 0.976 183 M CA -1.232 54.201 55.300 0.221 0.000 0.648 183 M CB 1.767 34.565 32.600 0.329 0.000 1.474 183 M HN -0.242 nan 8.290 nan 0.000 0.398 184 P HA -0.145 nan 4.420 nan 0.000 0.226 184 P C 0.192 177.538 177.300 0.077 0.000 1.146 184 P CA 1.387 64.546 63.100 0.098 0.000 0.773 184 P CB 0.243 31.985 31.700 0.070 0.000 0.772 185 E N -3.179 117.075 120.200 0.091 0.000 2.562 185 E HA 0.136 4.489 4.350 0.006 0.000 0.214 185 E C 0.865 177.517 176.600 0.086 0.000 0.979 185 E CA -0.249 56.192 56.400 0.068 0.000 1.002 185 E CB 0.118 29.853 29.700 0.059 0.000 1.048 185 E HN 0.197 nan 8.360 nan 0.000 0.488 186 F N -0.343 119.553 119.950 -0.090 0.000 2.515 186 F HA 0.263 4.793 4.527 0.005 0.000 0.267 186 F C -0.186 175.477 175.800 -0.229 0.000 0.923 186 F CA -0.186 57.678 58.000 -0.227 0.000 1.107 186 F CB 0.214 38.998 39.000 -0.360 0.000 1.175 186 F HN -0.150 nan 8.300 nan 0.000 0.742 187 W N 2.102 123.478 121.300 0.127 0.000 2.150 187 W HA 0.316 4.980 4.660 0.006 0.000 0.341 187 W C 1.076 177.495 176.519 -0.167 0.000 1.276 187 W CA -0.101 57.229 57.345 -0.026 0.000 1.238 187 W CB 0.659 30.186 29.460 0.111 0.000 1.128 187 W HN 0.179 nan 8.180 nan 0.000 0.581 188 Q N 0.438 120.229 119.800 -0.015 0.000 2.534 188 Q HA 0.171 4.514 4.340 0.006 0.000 0.252 188 Q C -0.633 174.894 176.000 -0.787 0.000 0.850 188 Q CA 0.275 55.730 55.803 -0.580 0.000 0.974 188 Q CB 0.658 28.724 28.738 -1.119 0.000 1.205 188 Q HN 0.315 nan 8.270 nan 0.000 0.593 189 F N 2.276 122.207 119.950 -0.033 0.000 2.499 189 F HA 0.383 4.913 4.527 0.005 0.000 0.333 189 F C -2.382 173.394 175.800 -0.039 0.000 1.138 189 F CA -2.991 54.923 58.000 -0.144 0.000 0.945 189 F CB 1.374 40.002 39.000 -0.621 0.000 1.181 189 F HN -0.160 nan 8.300 nan 0.000 0.435 190 P HA 0.138 nan 4.420 nan 0.000 0.276 190 P C 0.357 177.746 177.300 0.149 0.000 1.264 190 P CA -0.089 63.076 63.100 0.108 0.000 0.769 190 P CB 1.244 33.059 31.700 0.192 0.000 0.840 191 T N -1.219 113.378 114.554 0.073 0.000 2.975 191 T HA 0.004 4.357 4.350 0.006 0.000 0.261 191 T C 1.419 176.140 174.700 0.035 0.000 0.984 191 T CA 0.120 62.287 62.100 0.113 0.000 0.911 191 T CB -0.438 68.528 68.868 0.165 0.000 1.127 191 T HN 0.086 nan 8.240 nan 0.000 0.514 192 V N 2.070 121.945 119.914 -0.064 0.000 2.867 192 V HA 0.097 4.220 4.120 0.006 0.000 0.260 192 V C 1.184 177.227 176.094 -0.086 0.000 1.099 192 V CA 1.447 63.643 62.300 -0.174 0.000 1.122 192 V CB -0.443 31.059 31.823 -0.535 0.000 0.708 192 V HN 0.589 nan 8.190 nan 0.000 0.490 193 S N 1.256 116.966 115.700 0.016 0.000 2.485 193 S HA 0.376 4.849 4.470 0.006 0.000 0.312 193 S C 0.160 174.778 174.600 0.031 0.000 1.102 193 S CA -0.538 57.683 58.200 0.035 0.000 1.066 193 S CB -0.277 62.978 63.200 0.092 0.000 1.102 193 S HN 0.500 nan 8.310 nan 0.000 0.519 194 M N 3.747 123.349 119.600 0.003 0.000 2.246 194 M HA 0.176 4.660 4.480 0.006 0.000 0.327 194 M C 1.679 177.988 176.300 0.014 0.000 1.090 194 M CA 1.758 57.063 55.300 0.008 0.000 1.087 194 M CB 0.042 32.636 32.600 -0.010 0.000 1.587 194 M HN 0.935 nan 8.290 nan 0.000 0.444 195 G N 0.901 109.706 108.800 0.008 0.000 2.336 195 G HA2 -0.263 3.700 3.960 0.006 0.000 0.233 195 G HA3 -0.263 3.700 3.960 0.006 0.000 0.233 195 G C 0.455 175.368 174.900 0.021 0.000 1.053 195 G CA 0.218 45.322 45.100 0.006 0.000 0.625 195 G HN 0.556 nan 8.290 nan 0.000 0.511 196 L N 1.949 123.199 121.223 0.045 0.000 2.072 196 L HA 0.273 4.616 4.340 0.006 0.000 0.205 196 L C 3.106 180.021 176.870 0.075 0.000 1.079 196 L CA 2.728 57.611 54.840 0.072 0.000 0.752 196 L CB -1.340 40.781 42.059 0.104 0.000 0.906 196 L HN 0.422 nan 8.230 nan 0.000 0.436 197 G N 0.164 109.012 108.800 0.080 0.000 2.491 197 G HA2 -0.243 3.721 3.960 0.006 0.000 0.218 197 G HA3 -0.243 3.721 3.960 0.006 0.000 0.218 197 G C -0.577 174.229 174.900 -0.158 0.000 1.180 197 G CA 0.932 46.072 45.100 0.065 0.000 0.774 197 G HN 0.317 nan 8.290 nan 0.000 0.562 198 P HA -0.102 nan 4.420 nan 0.000 0.214 198 P C 1.991 179.340 177.300 0.082 0.000 1.163 198 P CA 0.772 63.729 63.100 -0.238 0.000 0.889 198 P CB -0.106 31.463 31.700 -0.218 0.000 0.790 199 I N -1.035 119.597 120.570 0.104 0.000 2.439 199 I HA -0.094 4.079 4.170 0.006 0.000 0.251 199 I C 2.088 178.322 176.117 0.195 0.000 1.139 199 I CA 1.531 62.951 61.300 0.201 0.000 1.438 199 I CB -0.688 37.414 38.000 0.170 0.000 1.085 199 I HN -0.077 nan 8.210 nan 0.000 0.427 200 G N 0.258 109.100 108.800 0.070 0.000 2.418 200 G HA2 -0.281 3.683 3.960 0.006 0.000 0.217 200 G HA3 -0.281 3.683 3.960 0.006 0.000 0.217 200 G C 1.745 176.568 174.900 -0.129 0.000 1.158 200 G CA 0.720 45.857 45.100 0.062 0.000 0.771 200 G HN 0.542 nan 8.290 nan 0.000 0.545 201 A N 0.842 123.354 122.820 -0.513 0.000 1.877 201 A HA 0.012 4.336 4.320 0.006 0.000 0.216 201 A C 2.410 179.892 177.584 -0.170 0.000 1.186 201 A CA 1.353 52.988 52.037 -0.671 0.000 0.620 201 A CB -0.401 18.195 19.000 -0.673 0.000 0.822 201 A HN 0.378 nan 8.150 nan 0.000 0.443 202 I N -1.979 118.590 120.570 -0.003 0.000 2.127 202 I HA -0.320 3.853 4.170 0.006 0.000 0.241 202 I C 2.375 178.353 176.117 -0.232 0.000 1.075 202 I CA 1.775 63.019 61.300 -0.094 0.000 1.334 202 I CB -0.475 37.478 38.000 -0.078 0.000 1.040 202 I HN 0.419 nan 8.210 nan 0.000 0.405 203 Y N 0.285 120.586 120.300 0.002 0.000 2.373 203 Y HA -0.240 4.313 4.550 0.005 0.000 0.293 203 Y C 2.656 178.588 175.900 0.053 0.000 1.129 203 Y CA 1.232 59.346 58.100 0.023 0.000 1.226 203 Y CB -0.324 38.140 38.460 0.006 0.000 1.000 203 Y HN 0.216 nan 8.280 nan 0.000 0.549 204 Q N 0.618 120.489 119.800 0.119 0.000 2.046 204 Q HA -0.124 4.220 4.340 0.006 0.000 0.200 204 Q C 2.355 178.423 176.000 0.114 0.000 0.975 204 Q CA 1.825 57.710 55.803 0.137 0.000 0.836 204 Q CB -0.501 28.303 28.738 0.110 0.000 0.896 204 Q HN 0.346 nan 8.270 nan 0.000 0.428 205 A N 0.900 123.722 122.820 0.004 0.000 1.908 205 A HA -0.214 4.109 4.320 0.006 0.000 0.218 205 A C 2.133 179.703 177.584 -0.023 0.000 1.181 205 A CA 1.778 53.790 52.037 -0.042 0.000 0.627 205 A CB -0.680 18.245 19.000 -0.125 0.000 0.818 205 A HN 0.341 nan 8.150 nan 0.000 0.445 206 K N -1.576 118.812 120.400 -0.021 0.000 2.097 206 K HA -0.115 4.209 4.320 0.006 0.000 0.205 206 K C 1.737 178.413 176.600 0.127 0.000 1.050 206 K CA 1.293 57.597 56.287 0.028 0.000 0.938 206 K CB -0.312 32.174 32.500 -0.023 0.000 0.718 206 K HN 0.462 nan 8.250 nan 0.000 0.442 207 F N 1.761 121.721 119.950 0.018 0.000 2.234 207 F HA -0.102 4.428 4.527 0.006 0.000 0.299 207 F C 1.845 177.681 175.800 0.059 0.000 1.087 207 F CA 0.944 58.960 58.000 0.027 0.000 1.340 207 F CB -0.087 38.921 39.000 0.013 0.000 1.031 207 F HN -0.073 nan 8.300 nan 0.000 0.500 208 L N -0.368 120.876 121.223 0.035 0.000 2.046 208 L HA -0.230 4.113 4.340 0.006 0.000 0.208 208 L C 2.409 179.177 176.870 -0.169 0.000 1.077 208 L CA 1.353 56.152 54.840 -0.069 0.000 0.747 208 L CB -0.695 41.357 42.059 -0.012 0.000 0.896 208 L HN 0.011 nan 8.230 nan 0.000 0.432 209 K N -0.422 119.899 120.400 -0.133 0.000 2.032 209 K HA -0.233 4.090 4.320 0.006 0.000 0.209 209 K C 1.980 178.426 176.600 -0.257 0.000 1.048 209 K CA 1.478 57.632 56.287 -0.221 0.000 0.927 209 K CB -0.608 31.849 32.500 -0.071 0.000 0.712 209 K HN 0.162 nan 8.250 nan 0.000 0.441 210 Y N 1.106 121.208 120.300 -0.330 0.000 2.081 210 Y HA -0.261 4.293 4.550 0.006 0.000 0.280 210 Y C 1.585 177.179 175.900 -0.511 0.000 1.163 210 Y CA 1.795 59.533 58.100 -0.603 0.000 1.135 210 Y CB -0.371 37.578 38.460 -0.852 0.000 0.970 210 Y HN -0.023 nan 8.280 nan 0.000 0.498 211 L N 0.154 121.056 121.223 -0.536 0.000 2.081 211 L HA -0.252 4.092 4.340 0.006 0.000 0.212 211 L C 2.594 179.264 176.870 -0.334 0.000 1.080 211 L CA 2.077 56.630 54.840 -0.478 0.000 0.754 211 L CB -0.630 41.205 42.059 -0.375 0.000 0.893 211 L HN 0.390 nan 8.230 nan 0.000 0.433 212 E N -0.448 119.574 120.200 -0.297 0.000 2.076 212 E HA -0.196 4.157 4.350 0.006 0.000 0.190 212 E C 2.061 178.566 176.600 -0.158 0.000 0.979 212 E CA 0.937 57.200 56.400 -0.227 0.000 0.807 212 E CB -0.034 29.512 29.700 -0.256 0.000 0.761 212 E HN 0.582 nan 8.360 nan 0.000 0.454 213 H N -0.372 118.621 119.070 -0.128 0.000 2.421 213 H HA 0.064 4.623 4.556 0.006 0.000 0.298 213 H C 1.897 177.138 175.328 -0.144 0.000 1.087 213 H CA 0.820 56.827 56.048 -0.068 0.000 1.330 213 H CB 0.242 30.065 29.762 0.101 0.000 1.388 213 H HN 0.003 nan 8.280 nan 0.000 0.526 214 R N 0.200 120.583 120.500 -0.195 0.000 2.307 214 R HA 0.015 4.358 4.340 0.006 0.000 0.199 214 R C 0.906 177.099 176.300 -0.177 0.000 1.000 214 R CA 0.628 56.561 56.100 -0.278 0.000 1.023 214 R CB 0.389 30.332 30.300 -0.595 0.000 0.908 214 R HN 0.474 nan 8.270 nan 0.000 0.473 215 G N 1.228 109.947 108.800 -0.136 0.000 2.176 215 G HA2 -0.257 3.707 3.960 0.006 0.000 0.252 215 G HA3 -0.257 3.707 3.960 0.006 0.000 0.252 215 G C 0.581 175.420 174.900 -0.102 0.000 1.024 215 G CA 0.165 45.208 45.100 -0.094 0.000 0.755 215 G HN 0.300 nan 8.290 nan 0.000 0.507 216 L N -1.353 119.786 121.223 -0.140 0.000 2.253 216 L HA 0.431 4.774 4.340 0.006 0.000 0.205 216 L C 1.267 178.087 176.870 -0.083 0.000 1.078 216 L CA 1.171 55.944 54.840 -0.112 0.000 0.805 216 L CB 0.263 42.236 42.059 -0.143 0.000 0.963 216 L HN 0.256 nan 8.230 nan 0.000 0.459 217 K N -0.020 120.320 120.400 -0.100 0.000 2.572 217 K HA 0.115 4.438 4.320 0.006 0.000 0.263 217 K C -1.782 174.770 176.600 -0.080 0.000 0.932 217 K CA -0.650 55.595 56.287 -0.070 0.000 0.838 217 K CB 2.092 34.562 32.500 -0.050 0.000 1.366 217 K HN -0.247 nan 8.250 nan 0.000 0.425 218 D N 2.274 122.640 120.400 -0.057 0.000 2.365 218 D HA 0.076 4.719 4.640 0.006 0.000 0.237 218 D C 0.448 176.715 176.300 -0.054 0.000 1.190 218 D CA 0.047 54.012 54.000 -0.058 0.000 0.867 218 D CB 1.086 41.863 40.800 -0.040 0.000 1.050 218 D HN 0.544 nan 8.370 nan 0.000 0.491 219 T N -0.542 113.969 114.554 -0.072 0.000 3.092 219 T HA 0.015 4.368 4.350 0.006 0.000 0.258 219 T C 1.683 176.350 174.700 -0.056 0.000 1.031 219 T CA 0.252 62.318 62.100 -0.057 0.000 0.925 219 T CB -0.254 68.574 68.868 -0.067 0.000 1.036 219 T HN 0.231 nan 8.240 nan 0.000 0.544 220 S N 2.166 117.830 115.700 -0.061 0.000 2.440 220 S HA -0.129 4.344 4.470 0.006 0.000 0.240 220 S C 1.651 176.232 174.600 -0.030 0.000 1.014 220 S CA 0.709 58.876 58.200 -0.054 0.000 0.980 220 S CB -0.560 62.611 63.200 -0.047 0.000 0.775 220 S HN 0.602 nan 8.310 nan 0.000 0.499 221 K N 0.804 121.195 120.400 -0.015 0.000 2.404 221 K HA 0.207 4.530 4.320 0.006 0.000 0.194 221 K C 0.239 176.852 176.600 0.022 0.000 1.023 221 K CA 0.071 56.363 56.287 0.009 0.000 1.094 221 K CB 0.196 32.706 32.500 0.018 0.000 0.841 221 K HN 0.578 nan 8.250 nan 0.000 0.523 222 Q N 0.512 120.314 119.800 0.003 0.000 2.245 222 Q HA 0.241 4.584 4.340 0.006 0.000 0.256 222 Q C -0.748 175.239 176.000 -0.023 0.000 0.942 222 Q CA -0.223 55.589 55.803 0.015 0.000 0.896 222 Q CB 2.059 30.807 28.738 0.016 0.000 1.272 222 Q HN -0.111 nan 8.270 nan 0.000 0.442 223 T N 1.117 115.652 114.554 -0.031 0.000 2.841 223 T HA 0.410 4.764 4.350 0.006 0.000 0.283 223 T C -0.605 173.967 174.700 -0.214 0.000 1.000 223 T CA -0.585 61.405 62.100 -0.185 0.000 0.977 223 T CB 1.362 70.046 68.868 -0.307 0.000 0.979 223 T HN 0.250 nan 8.240 nan 0.000 0.446 224 V N 3.814 123.581 119.914 -0.244 0.000 2.383 224 V HA 0.396 4.519 4.120 0.006 0.000 0.275 224 V C -1.105 174.861 176.094 -0.212 0.000 1.036 224 V CA -0.695 61.529 62.300 -0.126 0.000 0.889 224 V CB 0.262 32.038 31.823 -0.079 0.000 0.985 224 V HN 0.775 nan 8.190 nan 0.000 0.459 225 Y N 2.736 123.092 120.300 0.092 0.000 2.335 225 Y HA 0.701 5.254 4.550 0.006 0.000 0.338 225 Y C 0.369 176.324 175.900 0.091 0.000 0.977 225 Y CA -0.653 57.502 58.100 0.092 0.000 1.114 225 Y CB 1.992 40.593 38.460 0.236 0.000 1.182 225 Y HN 0.668 nan 8.280 nan 0.000 0.463 226 A N 4.557 127.442 122.820 0.109 0.000 2.285 226 A HA 0.667 4.990 4.320 0.006 0.000 0.310 226 A C -1.511 175.996 177.584 -0.128 0.000 1.266 226 A CA -0.530 51.502 52.037 -0.007 0.000 0.832 226 A CB -0.131 18.701 19.000 -0.280 0.000 1.163 226 A HN 0.592 nan 8.150 nan 0.000 0.499 227 F N 2.824 122.799 119.950 0.043 0.000 2.404 227 F HA 0.550 5.080 4.527 0.005 0.000 0.358 227 F C 0.185 175.984 175.800 -0.002 0.000 1.120 227 F CA 0.010 58.032 58.000 0.037 0.000 1.144 227 F CB 1.015 40.113 39.000 0.163 0.000 1.133 227 F HN 0.385 nan 8.300 nan 0.000 0.495 228 L N 2.278 123.510 121.223 0.014 0.000 2.333 228 L HA 0.821 5.164 4.340 0.006 0.000 0.263 228 L C 0.423 177.302 176.870 0.015 0.000 1.014 228 L CA -1.215 53.609 54.840 -0.027 0.000 0.820 228 L CB 1.765 43.700 42.059 -0.206 0.000 1.352 228 L HN 0.609 nan 8.230 nan 0.000 0.421 229 G N -0.715 108.112 108.800 0.045 0.000 2.451 229 G HA2 0.343 4.307 3.960 0.006 0.000 0.303 229 G HA3 0.343 4.307 3.960 0.006 0.000 0.303 229 G C 0.079 174.984 174.900 0.008 0.000 1.166 229 G CA -0.266 44.871 45.100 0.063 0.000 0.884 229 G HN 0.801 nan 8.290 nan 0.000 0.514 230 D N 0.180 120.583 120.400 0.006 0.000 2.149 230 D HA -0.053 4.590 4.640 0.006 0.000 0.201 230 D C 2.208 178.508 176.300 -0.000 0.000 0.972 230 D CA 1.107 55.099 54.000 -0.013 0.000 0.835 230 D CB -0.828 39.962 40.800 -0.018 0.000 0.966 230 D HN 0.483 nan 8.370 nan 0.000 0.476 231 G N 0.659 109.466 108.800 0.013 0.000 2.440 231 G HA2 -0.348 3.616 3.960 0.006 0.000 0.218 231 G HA3 -0.348 3.616 3.960 0.006 0.000 0.218 231 G C 1.456 176.357 174.900 0.001 0.000 1.154 231 G CA 0.819 45.923 45.100 0.007 0.000 0.767 231 G HN 0.477 nan 8.290 nan 0.000 0.552 232 E N -0.195 120.008 120.200 0.004 0.000 2.209 232 E HA -0.157 4.196 4.350 0.006 0.000 0.196 232 E C 2.221 178.815 176.600 -0.010 0.000 0.993 232 E CA 0.839 57.237 56.400 -0.003 0.000 0.819 232 E CB -0.123 29.580 29.700 0.006 0.000 0.745 232 E HN 0.279 nan 8.360 nan 0.000 0.477 233 M N 0.932 120.528 119.600 -0.008 0.000 2.539 233 M HA -0.092 4.391 4.480 0.006 0.000 0.261 233 M C 0.861 177.164 176.300 0.004 0.000 1.069 233 M CA 1.008 56.311 55.300 0.004 0.000 1.081 233 M CB -0.594 32.020 32.600 0.023 0.000 1.412 233 M HN 0.038 nan 8.290 nan 0.000 0.482 234 D N 0.435 120.834 120.400 -0.002 0.000 2.317 234 D HA -0.027 4.616 4.640 0.006 0.000 0.211 234 D C 0.459 176.754 176.300 -0.007 0.000 0.966 234 D CA 0.479 54.476 54.000 -0.005 0.000 0.876 234 D CB 0.134 40.931 40.800 -0.005 0.000 0.927 234 D HN 0.260 nan 8.370 nan 0.000 0.519 235 E N 0.843 121.039 120.200 -0.006 0.000 2.417 235 E HA -0.005 4.348 4.350 0.006 0.000 0.261 235 E C -1.609 174.987 176.600 -0.006 0.000 1.000 235 E CA -1.207 55.190 56.400 -0.006 0.000 0.919 235 E CB 0.930 30.628 29.700 -0.003 0.000 0.955 235 E HN 0.098 nan 8.360 nan 0.000 0.455 236 P HA -0.163 nan 4.420 nan 0.000 0.218 236 P C 0.622 177.918 177.300 -0.006 0.000 1.148 236 P CA 1.161 64.253 63.100 -0.013 0.000 0.822 236 P CB 0.377 32.068 31.700 -0.015 0.000 0.784 237 E N -1.077 119.125 120.200 0.004 0.000 2.268 237 E HA -0.084 4.270 4.350 0.006 0.000 0.195 237 E C 2.023 178.643 176.600 0.034 0.000 0.995 237 E CA 0.946 57.357 56.400 0.019 0.000 0.836 237 E CB -0.874 28.839 29.700 0.021 0.000 0.763 237 E HN 0.177 nan 8.360 nan 0.000 0.491 238 S N 0.300 116.012 115.700 0.020 0.000 2.368 238 S HA -0.074 4.399 4.470 0.006 0.000 0.224 238 S C 1.424 176.065 174.600 0.067 0.000 1.029 238 S CA 1.190 59.407 58.200 0.029 0.000 0.988 238 S CB 0.030 63.233 63.200 0.004 0.000 0.838 238 S HN 0.212 nan 8.310 nan 0.000 0.462 239 K N -0.123 120.275 120.400 -0.003 0.000 2.402 239 K HA 0.213 4.537 4.320 0.006 0.000 0.203 239 K C 1.916 178.446 176.600 -0.117 0.000 1.077 239 K CA 0.360 56.577 56.287 -0.117 0.000 1.051 239 K CB 0.276 32.659 32.500 -0.195 0.000 0.907 239 K HN 0.293 nan 8.250 nan 0.000 0.554 240 G N 1.422 110.196 108.800 -0.043 0.000 2.501 240 G HA2 -0.209 3.755 3.960 0.006 0.000 0.220 240 G HA3 -0.209 3.755 3.960 0.006 0.000 0.220 240 G C 1.149 176.047 174.900 -0.002 0.000 1.114 240 G CA 1.054 46.137 45.100 -0.029 0.000 0.757 240 G HN 0.308 nan 8.290 nan 0.000 0.559 241 A N 0.193 123.033 122.820 0.033 0.000 2.571 241 A HA 0.410 4.734 4.320 0.006 0.000 0.274 241 A C 1.829 179.448 177.584 0.057 0.000 1.196 241 A CA 0.174 52.260 52.037 0.082 0.000 0.957 241 A CB -0.083 19.041 19.000 0.208 0.000 1.150 241 A HN 0.512 nan 8.150 nan 0.000 0.539 242 I N -3.476 117.079 120.570 -0.024 0.000 2.700 242 I HA -0.090 4.083 4.170 0.006 0.000 0.261 242 I C 1.684 177.925 176.117 0.206 0.000 1.219 242 I CA 1.802 63.112 61.300 0.016 0.000 1.463 242 I CB -0.644 37.001 38.000 -0.592 0.000 1.092 242 I HN 0.048 nan 8.210 nan 0.000 0.452 243 T N 1.724 116.306 114.554 0.047 0.000 2.867 243 T HA -0.005 4.349 4.350 0.006 0.000 0.268 243 T C 1.870 176.584 174.700 0.023 0.000 1.057 243 T CA 1.224 63.352 62.100 0.046 0.000 1.136 243 T CB -0.115 68.748 68.868 -0.008 0.000 0.874 243 T HN 0.266 nan 8.240 nan 0.000 0.466 244 I N 1.737 122.308 120.570 0.001 0.000 2.264 244 I HA -0.100 4.073 4.170 0.006 0.000 0.248 244 I C 2.799 178.831 176.117 -0.141 0.000 1.111 244 I CA 0.887 62.145 61.300 -0.070 0.000 1.382 244 I CB -1.682 36.243 38.000 -0.125 0.000 1.060 244 I HN 0.182 nan 8.210 nan 0.000 0.418 245 A N 0.077 122.812 122.820 -0.142 0.000 1.972 245 A HA -0.168 4.155 4.320 0.006 0.000 0.219 245 A C 2.430 179.774 177.584 -0.400 0.000 1.169 245 A CA 2.209 54.034 52.037 -0.354 0.000 0.635 245 A CB -0.857 17.784 19.000 -0.599 0.000 0.810 245 A HN 0.418 nan 8.150 nan 0.000 0.446 246 T N -0.905 113.495 114.554 -0.256 0.000 2.894 246 T HA -0.025 4.328 4.350 0.006 0.000 0.258 246 T C 2.068 176.679 174.700 -0.148 0.000 1.043 246 T CA 0.992 62.964 62.100 -0.212 0.000 1.141 246 T CB -0.150 68.666 68.868 -0.087 0.000 0.873 246 T HN 0.478 nan 8.240 nan 0.000 0.449 247 R N 1.108 121.543 120.500 -0.109 0.000 2.091 247 R HA -0.036 4.308 4.340 0.006 0.000 0.238 247 R C 1.878 178.115 176.300 -0.106 0.000 1.136 247 R CA 1.048 57.094 56.100 -0.090 0.000 0.959 247 R CB -0.054 30.206 30.300 -0.067 0.000 0.856 247 R HN 0.324 nan 8.270 nan 0.000 0.437 248 E N 0.561 120.686 120.200 -0.126 0.000 2.479 248 E HA 0.017 4.370 4.350 0.006 0.000 0.193 248 E C -0.295 176.232 176.600 -0.122 0.000 1.049 248 E CA 0.034 56.368 56.400 -0.110 0.000 0.870 248 E CB 0.356 29.997 29.700 -0.097 0.000 0.944 248 E HN 0.203 nan 8.360 nan 0.000 0.492 249 K N 0.876 121.176 120.400 -0.167 0.000 3.257 249 K HA -0.172 4.151 4.320 0.006 0.000 0.270 249 K C -0.202 176.271 176.600 -0.210 0.000 0.984 249 K CA 0.162 56.339 56.287 -0.183 0.000 0.739 249 K CB -1.839 30.589 32.500 -0.119 0.000 1.351 249 K HN 0.186 nan 8.250 nan 0.000 0.463 250 L N 2.061 123.106 121.223 -0.298 0.000 2.416 250 L HA 0.006 4.349 4.340 0.006 0.000 0.243 250 L C 1.086 177.751 176.870 -0.341 0.000 1.373 250 L CA -0.097 54.559 54.840 -0.306 0.000 1.227 250 L CB -0.472 41.372 42.059 -0.358 0.000 1.428 250 L HN 0.292 nan 8.230 nan 0.000 0.425 251 D N -0.985 119.262 120.400 -0.255 0.000 2.338 251 D HA -0.126 4.518 4.640 0.006 0.000 0.239 251 D C 1.024 177.203 176.300 -0.201 0.000 1.095 251 D CA 0.111 53.972 54.000 -0.232 0.000 0.888 251 D CB -0.132 40.566 40.800 -0.170 0.000 0.899 251 D HN 0.414 nan 8.370 nan 0.000 0.525 252 N N 0.114 118.689 118.700 -0.208 0.000 2.214 252 N HA 0.090 4.833 4.740 0.006 0.000 0.214 252 N C -0.302 175.068 175.510 -0.232 0.000 1.132 252 N CA -0.461 52.477 53.050 -0.186 0.000 0.856 252 N CB 0.289 38.690 38.487 -0.143 0.000 1.020 252 N HN 0.245 nan 8.380 nan 0.000 0.509 253 L N 0.299 121.355 121.223 -0.279 0.000 2.362 253 L HA 0.662 5.005 4.340 0.006 0.000 0.275 253 L C -1.429 175.281 176.870 -0.267 0.000 0.998 253 L CA -0.802 53.869 54.840 -0.281 0.000 0.820 253 L CB 2.223 44.093 42.059 -0.315 0.000 1.270 253 L HN -0.140 nan 8.230 nan 0.000 0.415 254 V N 5.148 124.960 119.914 -0.170 0.000 2.525 254 V HA 0.469 4.593 4.120 0.006 0.000 0.299 254 V C -0.879 175.324 176.094 0.182 0.000 1.034 254 V CA -0.445 61.823 62.300 -0.053 0.000 0.863 254 V CB 1.518 33.285 31.823 -0.092 0.000 0.999 254 V HN 0.500 nan 8.190 nan 0.000 0.423 255 F N 3.711 123.638 119.950 -0.038 0.000 2.410 255 F HA 0.610 5.140 4.527 0.006 0.000 0.349 255 F C 0.186 175.806 175.800 -0.300 0.000 1.117 255 F CA -1.194 56.727 58.000 -0.132 0.000 1.104 255 F CB 1.945 40.867 39.000 -0.130 0.000 1.122 255 F HN 0.170 nan 8.300 nan 0.000 0.483 256 V N 6.395 126.134 119.914 -0.291 0.000 2.326 256 V HA 0.359 4.482 4.120 0.006 0.000 0.281 256 V C 0.060 175.963 176.094 -0.318 0.000 1.015 256 V CA -0.592 61.452 62.300 -0.427 0.000 0.823 256 V CB 1.212 32.553 31.823 -0.803 0.000 1.009 256 V HN 0.450 nan 8.190 nan 0.000 0.436 257 I N 4.179 124.587 120.570 -0.270 0.000 2.304 257 I HA 0.323 4.496 4.170 0.006 0.000 0.291 257 I C 0.309 176.335 176.117 -0.152 0.000 1.018 257 I CA -0.409 60.768 61.300 -0.206 0.000 1.260 257 I CB 1.230 39.086 38.000 -0.240 0.000 1.390 257 I HN 0.478 nan 8.210 nan 0.000 0.475 258 N N 6.410 125.065 118.700 -0.076 0.000 2.415 258 N HA 0.099 4.842 4.740 0.006 0.000 0.250 258 N C -0.768 174.716 175.510 -0.044 0.000 1.127 258 N CA -0.259 52.762 53.050 -0.048 0.000 0.945 258 N CB 0.343 38.845 38.487 0.024 0.000 1.196 258 N HN 0.536 nan 8.380 nan 0.000 0.499 259 C N 4.145 123.401 119.300 -0.073 0.000 2.298 259 C HA 0.198 4.661 4.460 0.006 0.000 0.451 259 C C 1.319 176.327 174.990 0.029 0.000 1.028 259 C CA -0.884 58.107 59.018 -0.046 0.000 1.324 259 C CB -1.896 25.775 27.740 -0.115 0.000 1.534 259 C HN 0.718 nan 8.230 nan 0.000 0.528 260 N N 1.149 119.872 118.700 0.038 0.000 2.336 260 N HA 0.079 4.823 4.740 0.006 0.000 0.189 260 N C 0.786 176.346 175.510 0.084 0.000 1.113 260 N CA -0.111 52.978 53.050 0.065 0.000 0.858 260 N CB -0.375 38.156 38.487 0.074 0.000 0.970 260 N HN 0.650 nan 8.380 nan 0.000 0.471 261 L N -2.123 119.141 121.223 0.068 0.000 4.937 261 L HA -0.289 4.054 4.340 0.006 0.000 0.422 261 L C -0.544 176.360 176.870 0.057 0.000 1.059 261 L CA 1.083 55.962 54.840 0.065 0.000 1.111 261 L CB -2.193 39.925 42.059 0.099 0.000 2.033 261 L HN 0.635 nan 8.230 nan 0.000 0.708 262 Q N -0.495 119.339 119.800 0.056 0.000 2.389 262 Q HA 0.779 5.122 4.340 0.006 0.000 0.277 262 Q C -0.330 175.696 176.000 0.043 0.000 1.082 262 Q CA -1.209 54.624 55.803 0.050 0.000 0.810 262 Q CB 2.276 31.049 28.738 0.059 0.000 1.374 262 Q HN 0.195 nan 8.270 nan 0.000 0.422 263 R N 0.569 121.086 120.500 0.029 0.000 2.465 263 R HA 0.380 4.723 4.340 0.006 0.000 0.198 263 R C 1.262 177.569 176.300 0.013 0.000 1.188 263 R CA -0.501 55.608 56.100 0.015 0.000 1.080 263 R CB -0.100 30.203 30.300 0.004 0.000 1.862 263 R HN 0.637 nan 8.270 nan 0.000 0.517 264 L N 0.335 121.554 121.223 -0.005 0.000 2.102 264 L HA 0.013 4.356 4.340 0.006 0.000 0.202 264 L C 0.921 177.803 176.870 0.020 0.000 1.076 264 L CA 1.308 56.147 54.840 -0.001 0.000 0.761 264 L CB 0.073 42.119 42.059 -0.021 0.000 0.921 264 L HN 0.471 nan 8.230 nan 0.000 0.444 265 D N 0.583 120.992 120.400 0.016 0.000 2.881 265 D HA 0.334 4.978 4.640 0.006 0.000 0.240 265 D C 0.288 176.601 176.300 0.021 0.000 1.249 265 D CA 0.813 54.826 54.000 0.021 0.000 0.839 265 D CB -0.317 40.493 40.800 0.016 0.000 1.042 265 D HN 0.507 nan 8.370 nan 0.000 0.475 266 G N 0.813 109.629 108.800 0.026 0.000 2.384 266 G HA2 -0.098 3.865 3.960 0.006 0.000 0.668 266 G HA3 -0.098 3.865 3.960 0.006 0.000 0.668 266 G C -2.888 172.028 174.900 0.028 0.000 1.280 266 G CA -0.840 44.276 45.100 0.026 0.000 0.992 266 G HN 0.079 nan 8.290 nan 0.000 0.512 267 P HA 0.309 nan 4.420 nan 0.000 0.271 267 P C 1.322 178.636 177.300 0.023 0.000 1.218 267 P CA 0.072 63.190 63.100 0.030 0.000 0.780 267 P CB 1.250 32.967 31.700 0.029 0.000 0.901 268 V N 1.594 121.523 119.914 0.025 0.000 2.343 268 V HA -0.118 4.005 4.120 0.006 0.000 0.247 268 V C 1.400 177.502 176.094 0.013 0.000 1.051 268 V CA 2.644 64.954 62.300 0.017 0.000 1.036 268 V CB -1.315 30.517 31.823 0.015 0.000 0.654 268 V HN 0.868 nan 8.190 nan 0.000 0.451 269 T N -3.261 111.302 114.554 0.016 0.000 3.233 269 T HA 0.441 4.794 4.350 0.006 0.000 0.324 269 T C 0.852 175.561 174.700 0.015 0.000 0.992 269 T CA 0.100 62.207 62.100 0.012 0.000 1.414 269 T CB 0.656 69.529 68.868 0.008 0.000 0.935 269 T HN 0.254 nan 8.240 nan 0.000 0.544 270 G N 2.508 111.316 108.800 0.013 0.000 2.469 270 G HA2 -0.230 3.734 3.960 0.006 0.000 0.219 270 G HA3 -0.230 3.734 3.960 0.006 0.000 0.219 270 G C 1.331 176.234 174.900 0.005 0.000 1.150 270 G CA 0.545 45.651 45.100 0.010 0.000 0.763 270 G HN 0.640 nan 8.290 nan 0.000 0.561 271 N N 1.171 119.872 118.700 0.002 0.000 2.398 271 N HA 0.099 4.843 4.740 0.006 0.000 0.188 271 N C 1.052 176.561 175.510 -0.002 0.000 1.122 271 N CA 0.704 53.752 53.050 -0.002 0.000 0.866 271 N CB 0.665 39.150 38.487 -0.003 0.000 0.970 271 N HN 0.381 nan 8.380 nan 0.000 0.462 272 G N -0.087 108.715 108.800 0.003 0.000 3.262 272 G HA2 0.543 4.506 3.960 0.006 0.000 0.229 272 G HA3 0.543 4.506 3.960 0.006 0.000 0.229 272 G C -0.982 173.920 174.900 0.003 0.000 1.280 272 G CA -0.419 44.681 45.100 -0.001 0.000 0.951 272 G HN -0.047 nan 8.290 nan 0.000 0.589 273 K N 0.246 120.644 120.400 -0.003 0.000 2.664 273 K HA 0.261 4.584 4.320 0.006 0.000 0.234 273 K C 0.311 176.918 176.600 0.012 0.000 0.980 273 K CA -0.581 55.705 56.287 -0.003 0.000 0.996 273 K CB 2.105 34.569 32.500 -0.061 0.000 1.190 273 K HN 0.263 nan 8.250 nan 0.000 0.479 274 I N 2.740 123.318 120.570 0.014 0.000 2.361 274 I HA -0.212 3.961 4.170 0.006 0.000 0.251 274 I C 1.442 177.554 176.117 -0.008 0.000 1.133 274 I CA 1.523 62.825 61.300 0.003 0.000 1.413 274 I CB 0.029 38.028 38.000 -0.002 0.000 1.073 274 I HN 0.657 nan 8.210 nan 0.000 0.424 275 I N 0.375 120.939 120.570 -0.010 0.000 2.286 275 I HA -0.305 3.869 4.170 0.006 0.000 0.248 275 I C 2.051 178.165 176.117 -0.005 0.000 1.115 275 I CA 1.157 62.427 61.300 -0.050 0.000 1.392 275 I CB -0.555 37.371 38.000 -0.124 0.000 1.065 275 I HN 0.278 nan 8.210 nan 0.000 0.418 276 N N 0.503 119.237 118.700 0.056 0.000 2.142 276 N HA -0.206 4.537 4.740 0.006 0.000 0.186 276 N C 1.734 177.255 175.510 0.020 0.000 1.023 276 N CA 1.106 54.183 53.050 0.046 0.000 0.852 276 N CB -0.224 38.291 38.487 0.046 0.000 0.998 276 N HN 0.400 nan 8.380 nan 0.000 0.424 277 E N 0.722 120.931 120.200 0.014 0.000 2.038 277 E HA -0.149 4.204 4.350 0.006 0.000 0.195 277 E C 1.891 178.508 176.600 0.027 0.000 1.000 277 E CA 0.901 57.308 56.400 0.012 0.000 0.803 277 E CB -0.121 29.583 29.700 0.007 0.000 0.750 277 E HN 0.253 nan 8.360 nan 0.000 0.448 278 L N 0.735 121.976 121.223 0.030 0.000 2.012 278 L HA -0.219 4.124 4.340 0.006 0.000 0.210 278 L C 2.853 179.783 176.870 0.100 0.000 1.073 278 L CA 1.909 56.796 54.840 0.079 0.000 0.748 278 L CB -0.635 41.412 42.059 -0.020 0.000 0.891 278 L HN 0.327 nan 8.230 nan 0.000 0.431 279 E N 0.279 120.486 120.200 0.012 0.000 2.118 279 E HA -0.200 4.154 4.350 0.006 0.000 0.195 279 E C 2.155 178.782 176.600 0.045 0.000 0.992 279 E CA 1.260 57.666 56.400 0.009 0.000 0.804 279 E CB -0.175 29.512 29.700 -0.023 0.000 0.741 279 E HN 0.460 nan 8.360 nan 0.000 0.458 280 G N 1.491 110.309 108.800 0.032 0.000 2.421 280 G HA2 -0.264 3.700 3.960 0.006 0.000 0.216 280 G HA3 -0.264 3.700 3.960 0.006 0.000 0.216 280 G C 1.609 176.510 174.900 0.002 0.000 1.171 280 G CA 0.783 45.892 45.100 0.016 0.000 0.775 280 G HN 0.389 nan 8.290 nan 0.000 0.543 281 I N -1.123 119.441 120.570 -0.009 0.000 2.353 281 I HA 0.046 4.219 4.170 0.006 0.000 0.248 281 I C 2.323 178.326 176.117 -0.190 0.000 1.119 281 I CA 0.743 61.981 61.300 -0.104 0.000 1.417 281 I CB 0.043 37.952 38.000 -0.150 0.000 1.078 281 I HN 0.147 nan 8.210 nan 0.000 0.421 282 F N 1.229 121.058 119.950 -0.201 0.000 2.186 282 F HA -0.183 4.348 4.527 0.005 0.000 0.299 282 F C 2.506 178.241 175.800 -0.108 0.000 1.090 282 F CA 1.766 59.584 58.000 -0.304 0.000 1.307 282 F CB -0.381 38.383 39.000 -0.394 0.000 1.019 282 F HN 0.123 nan 8.300 nan 0.000 0.489 283 E N 0.082 120.350 120.200 0.113 0.000 2.031 283 E HA -0.156 4.198 4.350 0.006 0.000 0.193 283 E C 2.581 179.211 176.600 0.050 0.000 0.994 283 E CA 1.248 57.699 56.400 0.085 0.000 0.800 283 E CB -0.621 29.109 29.700 0.049 0.000 0.752 283 E HN 0.347 nan 8.360 nan 0.000 0.447 284 G N 0.337 109.142 108.800 0.008 0.000 2.462 284 G HA2 -0.245 3.718 3.960 0.006 0.000 0.220 284 G HA3 -0.245 3.718 3.960 0.006 0.000 0.220 284 G C 1.443 176.336 174.900 -0.012 0.000 1.121 284 G CA 0.758 45.851 45.100 -0.011 0.000 0.758 284 G HN 0.399 nan 8.290 nan 0.000 0.559 285 A N -0.450 122.356 122.820 -0.023 0.000 2.238 285 A HA 0.484 4.807 4.320 0.006 0.000 0.208 285 A C 1.973 179.650 177.584 0.156 0.000 1.177 285 A CA 1.183 53.227 52.037 0.012 0.000 0.804 285 A CB -0.438 18.491 19.000 -0.120 0.000 0.823 285 A HN 1.566 nan 8.150 nan 0.000 0.482 286 G N -2.651 106.235 108.800 0.144 0.000 2.157 286 G HA2 -0.259 3.704 3.960 0.006 0.000 0.248 286 G HA3 -0.259 3.704 3.960 0.006 0.000 0.248 286 G C -0.104 174.905 174.900 0.183 0.000 0.979 286 G CA 0.106 45.281 45.100 0.124 0.000 0.650 286 G HN 0.376 nan 8.290 nan 0.000 0.529 287 W N 0.573 121.855 121.300 -0.030 0.000 2.215 287 W HA 0.616 5.280 4.660 0.006 0.000 0.342 287 W C 0.571 177.068 176.519 -0.036 0.000 1.237 287 W CA -0.708 56.623 57.345 -0.022 0.000 1.283 287 W CB 0.380 29.890 29.460 0.083 0.000 1.131 287 W HN 0.178 nan 8.180 nan 0.000 0.606 288 N N 0.925 119.720 118.700 0.158 0.000 2.408 288 N HA 0.311 5.054 4.740 0.006 0.000 0.257 288 N C -1.579 173.964 175.510 0.056 0.000 1.064 288 N CA -0.106 52.974 53.050 0.050 0.000 0.952 288 N CB 0.619 39.086 38.487 -0.034 0.000 1.093 288 N HN 0.121 nan 8.380 nan 0.000 0.490 289 V N 5.383 125.307 119.914 0.018 0.000 2.370 289 V HA 0.428 4.551 4.120 0.006 0.000 0.283 289 V C 0.241 176.276 176.094 -0.099 0.000 1.023 289 V CA -0.629 61.641 62.300 -0.050 0.000 0.857 289 V CB 0.827 32.626 31.823 -0.040 0.000 0.985 289 V HN 0.570 nan 8.190 nan 0.000 0.443 290 I N 5.564 126.040 120.570 -0.157 0.000 2.382 290 I HA 0.418 4.591 4.170 0.006 0.000 0.285 290 I C -0.010 175.974 176.117 -0.222 0.000 1.007 290 I CA -0.588 60.605 61.300 -0.178 0.000 1.142 290 I CB 1.348 39.224 38.000 -0.207 0.000 1.289 290 I HN 0.485 nan 8.210 nan 0.000 0.453 291 K N 5.789 126.062 120.400 -0.210 0.000 2.183 291 K HA 0.518 4.841 4.320 0.006 0.000 0.274 291 K C -0.705 175.734 176.600 -0.268 0.000 1.009 291 K CA -0.681 55.444 56.287 -0.270 0.000 0.888 291 K CB 2.630 34.952 32.500 -0.297 0.000 1.078 291 K HN 0.287 nan 8.250 nan 0.000 0.459 292 V N 5.363 125.098 119.914 -0.299 0.000 2.250 292 V HA 0.059 4.183 4.120 0.006 0.000 0.268 292 V C 0.746 176.627 176.094 -0.355 0.000 1.043 292 V CA -0.323 61.824 62.300 -0.256 0.000 0.814 292 V CB 0.698 32.397 31.823 -0.206 0.000 1.072 292 V HN 0.779 nan 8.190 nan 0.000 0.451 293 M N 1.470 120.771 119.600 -0.499 0.000 2.257 293 M HA 0.205 4.689 4.480 0.006 0.000 0.260 293 M C 0.336 176.021 176.300 -1.024 0.000 1.102 293 M CA 1.255 55.979 55.300 -0.959 0.000 1.169 293 M CB -0.154 31.631 32.600 -1.358 0.000 1.323 293 M HN 0.505 nan 8.290 nan 0.000 0.447 294 W N -0.177 121.004 121.300 -0.199 0.000 2.736 294 W HA 0.626 5.289 4.660 0.005 0.000 0.335 294 W C 0.623 177.161 176.519 0.032 0.000 1.059 294 W CA -1.259 55.952 57.345 -0.224 0.000 1.226 294 W CB 0.662 29.790 29.460 -0.554 0.000 1.416 294 W HN 0.145 nan 8.180 nan 0.000 0.505 295 G N 0.336 109.432 108.800 0.493 0.000 2.684 295 G HA2 0.150 4.114 3.960 0.006 0.000 0.255 295 G HA3 0.150 4.114 3.960 0.006 0.000 0.255 295 G C 0.703 175.866 174.900 0.439 0.000 1.219 295 G CA -0.429 44.916 45.100 0.409 0.000 0.901 295 G HN 0.539 nan 8.290 nan 0.000 0.548 296 S N -0.568 115.302 115.700 0.282 0.000 2.419 296 S HA -0.117 4.356 4.470 0.006 0.000 0.235 296 S C 2.310 177.053 174.600 0.238 0.000 1.019 296 S CA 0.952 59.289 58.200 0.228 0.000 0.982 296 S CB -0.159 63.125 63.200 0.140 0.000 0.789 296 S HN 0.551 nan 8.310 nan 0.000 0.490 297 R N -0.601 120.038 120.500 0.232 0.000 2.285 297 R HA -0.045 4.298 4.340 0.006 0.000 0.213 297 R C 1.215 177.616 176.300 0.168 0.000 1.068 297 R CA 0.890 57.082 56.100 0.152 0.000 1.004 297 R CB -0.137 30.203 30.300 0.068 0.000 0.873 297 R HN 0.505 nan 8.270 nan 0.000 0.467 298 W N 0.317 121.735 121.300 0.198 0.000 3.003 298 W HA 0.048 4.711 4.660 0.005 0.000 0.257 298 W C 1.333 177.928 176.519 0.127 0.000 1.308 298 W CA -0.104 57.327 57.345 0.143 0.000 1.529 298 W CB 0.214 29.726 29.460 0.086 0.000 1.115 298 W HN -0.004 nan 8.180 nan 0.000 0.659 299 D N 0.908 121.513 120.400 0.341 0.000 2.123 299 D HA -0.226 4.417 4.640 0.006 0.000 0.196 299 D C 1.890 178.304 176.300 0.192 0.000 0.992 299 D CA 2.058 56.202 54.000 0.240 0.000 0.833 299 D CB -0.515 40.399 40.800 0.189 0.000 0.954 299 D HN 0.464 nan 8.370 nan 0.000 0.455 300 E N 0.421 120.732 120.200 0.185 0.000 2.072 300 E HA -0.147 4.207 4.350 0.006 0.000 0.191 300 E C 2.085 178.778 176.600 0.155 0.000 0.985 300 E CA 0.573 57.068 56.400 0.158 0.000 0.801 300 E CB -0.462 29.337 29.700 0.165 0.000 0.750 300 E HN 0.052 nan 8.360 nan 0.000 0.452 301 L N 0.799 122.124 121.223 0.170 0.000 2.012 301 L HA -0.093 4.251 4.340 0.006 0.000 0.210 301 L C 2.394 179.339 176.870 0.124 0.000 1.073 301 L CA 1.573 56.471 54.840 0.096 0.000 0.748 301 L CB -0.539 41.533 42.059 0.021 0.000 0.891 301 L HN 0.275 nan 8.230 nan 0.000 0.431 302 L N -1.399 119.930 121.223 0.175 0.000 2.156 302 L HA -0.178 4.165 4.340 0.006 0.000 0.208 302 L C 2.697 179.631 176.870 0.107 0.000 1.095 302 L CA 0.953 55.881 54.840 0.146 0.000 0.770 302 L CB -0.382 41.776 42.059 0.166 0.000 0.914 302 L HN 0.255 nan 8.230 nan 0.000 0.439 303 R N 1.307 121.872 120.500 0.107 0.000 2.075 303 R HA -0.176 4.167 4.340 0.006 0.000 0.232 303 R C 2.225 178.564 176.300 0.065 0.000 1.126 303 R CA 1.589 57.739 56.100 0.083 0.000 0.963 303 R CB -0.004 30.347 30.300 0.085 0.000 0.858 303 R HN 0.377 nan 8.270 nan 0.000 0.435 304 K N -0.448 119.991 120.400 0.065 0.000 2.418 304 K HA -0.042 4.281 4.320 0.006 0.000 0.195 304 K C -0.022 176.599 176.600 0.035 0.000 1.035 304 K CA 0.703 57.018 56.287 0.048 0.000 1.003 304 K CB 0.123 32.653 32.500 0.049 0.000 0.793 304 K HN -0.059 nan 8.250 nan 0.000 0.494 305 D N 2.847 123.271 120.400 0.040 0.000 2.498 305 D HA -0.020 4.623 4.640 0.006 0.000 0.229 305 D C 0.885 177.197 176.300 0.020 0.000 1.188 305 D CA 0.069 54.085 54.000 0.027 0.000 1.028 305 D CB 0.885 41.706 40.800 0.034 0.000 1.087 305 D HN 0.319 nan 8.370 nan 0.000 0.510 306 T N -0.979 113.583 114.554 0.014 0.000 2.995 306 T HA -0.180 4.173 4.350 0.006 0.000 0.269 306 T C 1.917 176.615 174.700 -0.002 0.000 1.091 306 T CA 1.026 63.131 62.100 0.009 0.000 1.128 306 T CB -0.302 68.572 68.868 0.009 0.000 0.891 306 T HN 0.241 nan 8.240 nan 0.000 0.492 307 S N 1.071 116.764 115.700 -0.012 0.000 2.447 307 S HA 0.250 4.723 4.470 0.006 0.000 0.233 307 S C 2.187 176.761 174.600 -0.042 0.000 1.006 307 S CA 0.848 59.030 58.200 -0.030 0.000 0.957 307 S CB -1.108 62.068 63.200 -0.041 0.000 0.773 307 S HN 1.355 nan 8.310 nan 0.000 0.507 308 G N 1.205 109.987 108.800 -0.031 0.000 2.179 308 G HA2 -0.272 3.691 3.960 0.006 0.000 0.260 308 G HA3 -0.272 3.691 3.960 0.006 0.000 0.260 308 G C 0.946 175.805 174.900 -0.068 0.000 0.977 308 G CA 0.493 45.574 45.100 -0.032 0.000 0.641 308 G HN 0.413 nan 8.290 nan 0.000 0.533 309 K N -0.378 119.959 120.400 -0.106 0.000 2.148 309 K HA 0.136 4.460 4.320 0.006 0.000 0.204 309 K C 2.471 178.990 176.600 -0.135 0.000 1.050 309 K CA 1.383 57.548 56.287 -0.203 0.000 0.942 309 K CB -0.369 31.974 32.500 -0.262 0.000 0.724 309 K HN 0.507 nan 8.250 nan 0.000 0.446 310 L N 1.448 122.645 121.223 -0.043 0.000 2.017 310 L HA -0.105 4.239 4.340 0.006 0.000 0.208 310 L C 2.040 178.921 176.870 0.020 0.000 1.073 310 L CA 1.446 56.287 54.840 0.001 0.000 0.745 310 L CB -0.476 41.631 42.059 0.080 0.000 0.894 310 L HN 0.061 nan 8.230 nan 0.000 0.432 311 I N -0.808 119.783 120.570 0.034 0.000 2.179 311 I HA -0.337 3.836 4.170 0.006 0.000 0.242 311 I C 2.621 178.777 176.117 0.065 0.000 1.088 311 I CA 1.646 62.991 61.300 0.075 0.000 1.357 311 I CB -0.340 37.700 38.000 0.068 0.000 1.051 311 I HN 0.488 nan 8.210 nan 0.000 0.409 312 Q N 0.836 120.631 119.800 -0.008 0.000 2.096 312 Q HA -0.276 4.067 4.340 0.006 0.000 0.204 312 Q C 2.329 178.341 176.000 0.019 0.000 0.982 312 Q CA 1.908 57.696 55.803 -0.027 0.000 0.850 312 Q CB -0.146 28.512 28.738 -0.134 0.000 0.901 312 Q HN 0.439 nan 8.270 nan 0.000 0.422 313 L N 0.382 121.608 121.223 0.004 0.000 2.017 313 L HA -0.177 4.167 4.340 0.006 0.000 0.208 313 L C 2.248 179.199 176.870 0.135 0.000 1.073 313 L CA 1.871 56.739 54.840 0.048 0.000 0.745 313 L CB -0.401 41.578 42.059 -0.134 0.000 0.894 313 L HN 0.317 nan 8.230 nan 0.000 0.432 314 M N -0.511 119.222 119.600 0.222 0.000 2.108 314 M HA -0.204 4.279 4.480 0.006 0.000 0.261 314 M C 1.939 178.436 176.300 0.329 0.000 1.066 314 M CA 1.648 57.243 55.300 0.492 0.000 1.107 314 M CB -0.655 32.260 32.600 0.525 0.000 1.356 314 M HN 0.348 nan 8.290 nan 0.000 0.406 315 N N 0.831 119.644 118.700 0.189 0.000 2.084 315 N HA -0.177 4.566 4.740 0.006 0.000 0.190 315 N C 1.552 177.056 175.510 -0.010 0.000 1.030 315 N CA 1.759 54.846 53.050 0.063 0.000 0.849 315 N CB -0.507 38.027 38.487 0.078 0.000 1.012 315 N HN 0.604 nan 8.380 nan 0.000 0.423 316 E N -0.006 120.218 120.200 0.041 0.000 2.274 316 E HA -0.025 4.328 4.350 0.006 0.000 0.194 316 E C -0.117 176.492 176.600 0.016 0.000 0.996 316 E CA 0.511 56.928 56.400 0.029 0.000 0.840 316 E CB -0.322 29.415 29.700 0.062 0.000 0.772 316 E HN -0.027 nan 8.360 nan 0.000 0.491 317 T N 2.767 117.343 114.554 0.036 0.000 2.870 317 T HA 0.245 4.598 4.350 0.006 0.000 0.300 317 T C 0.277 174.949 174.700 -0.046 0.000 0.989 317 T CA -0.206 61.866 62.100 -0.047 0.000 1.139 317 T CB 1.382 70.139 68.868 -0.184 0.000 0.920 317 T HN 0.212 nan 8.240 nan 0.000 0.537 318 V N 0.886 120.763 119.914 -0.062 0.000 3.134 318 V HA 0.388 4.511 4.120 0.006 0.000 0.313 318 V C 1.007 177.157 176.094 0.093 0.000 1.069 318 V CA -0.768 61.535 62.300 0.006 0.000 1.048 318 V CB 0.892 32.707 31.823 -0.013 0.000 1.119 318 V HN 0.617 nan 8.190 nan 0.000 0.461 319 D N 2.549 123.027 120.400 0.130 0.000 2.133 319 D HA -0.120 4.524 4.640 0.006 0.000 0.195 319 D C 2.091 178.449 176.300 0.097 0.000 0.997 319 D CA 2.212 56.317 54.000 0.175 0.000 0.840 319 D CB -0.655 40.203 40.800 0.098 0.000 0.947 319 D HN 0.878 nan 8.370 nan 0.000 0.452 320 G N 0.757 109.565 108.800 0.013 0.000 2.440 320 G HA2 -0.263 3.701 3.960 0.006 0.000 0.218 320 G HA3 -0.263 3.701 3.960 0.006 0.000 0.218 320 G C 1.342 176.157 174.900 -0.141 0.000 1.154 320 G CA 0.962 46.037 45.100 -0.041 0.000 0.767 320 G HN 0.169 nan 8.290 nan 0.000 0.552 321 D N -0.324 119.932 120.400 -0.240 0.000 2.123 321 D HA -0.055 4.588 4.640 0.006 0.000 0.200 321 D C 2.126 177.827 176.300 -0.998 0.000 0.976 321 D CA 0.612 54.270 54.000 -0.570 0.000 0.831 321 D CB -0.293 40.211 40.800 -0.494 0.000 0.974 321 D HN 0.356 nan 8.370 nan 0.000 0.469 322 Y N 1.467 121.497 120.300 -0.449 0.000 2.207 322 Y HA -0.151 4.402 4.550 0.006 0.000 0.287 322 Y C 2.538 178.364 175.900 -0.123 0.000 1.156 322 Y CA 0.966 58.952 58.100 -0.191 0.000 1.182 322 Y CB -0.222 38.321 38.460 0.139 0.000 0.979 322 Y HN -0.042 nan 8.280 nan 0.000 0.521 323 Q N -0.793 119.033 119.800 0.043 0.000 2.119 323 Q HA -0.113 4.230 4.340 0.006 0.000 0.201 323 Q C 2.246 178.232 176.000 -0.023 0.000 0.972 323 Q CA 1.677 57.507 55.803 0.045 0.000 0.847 323 Q CB -0.845 27.917 28.738 0.040 0.000 0.903 323 Q HN 0.426 nan 8.270 nan 0.000 0.433 324 T N 1.221 115.674 114.554 -0.169 0.000 2.746 324 T HA -0.103 4.250 4.350 0.006 0.000 0.267 324 T C 1.459 176.101 174.700 -0.098 0.000 1.039 324 T CA 1.018 63.006 62.100 -0.186 0.000 1.142 324 T CB -0.251 68.457 68.868 -0.267 0.000 0.866 324 T HN 0.132 nan 8.240 nan 0.000 0.444 325 F N 1.729 121.708 119.950 0.049 0.000 2.171 325 F HA 0.031 4.561 4.527 0.005 0.000 0.300 325 F C 2.261 178.179 175.800 0.196 0.000 1.090 325 F CA 0.430 58.502 58.000 0.120 0.000 1.293 325 F CB -0.656 38.448 39.000 0.172 0.000 1.013 325 F HN 0.002 nan 8.300 nan 0.000 0.486 326 K N 0.344 120.936 120.400 0.319 0.000 2.362 326 K HA -0.031 4.292 4.320 0.006 0.000 0.200 326 K C 1.894 178.677 176.600 0.304 0.000 1.046 326 K CA 1.198 57.637 56.287 0.254 0.000 0.952 326 K CB -0.633 31.965 32.500 0.164 0.000 0.753 326 K HN 0.401 nan 8.250 nan 0.000 0.466 327 S N -0.750 115.077 115.700 0.211 0.000 2.517 327 S HA 0.137 4.611 4.470 0.006 0.000 0.214 327 S C 1.099 175.759 174.600 0.099 0.000 0.991 327 S CA -0.215 58.069 58.200 0.141 0.000 0.906 327 S CB 0.474 63.698 63.200 0.041 0.000 0.789 327 S HN -0.048 nan 8.310 nan 0.000 0.513 328 K N 2.060 122.522 120.400 0.102 0.000 2.711 328 K HA 0.447 4.771 4.320 0.006 0.000 0.305 328 K C -0.151 176.346 176.600 -0.173 0.000 0.974 328 K CA -0.086 56.157 56.287 -0.075 0.000 1.394 328 K CB -0.300 31.947 32.500 -0.422 0.000 1.670 328 K HN 0.500 nan 8.250 nan 0.000 0.748 329 D N -2.970 117.289 120.400 -0.235 0.000 2.744 329 D HA 0.247 4.891 4.640 0.006 0.000 0.304 329 D C 1.021 177.237 176.300 -0.140 0.000 1.179 329 D CA -0.459 53.041 54.000 -0.833 0.000 1.024 329 D CB 0.006 40.470 40.800 -0.560 0.000 1.453 329 D HN 0.354 nan 8.370 nan 0.000 0.529 330 G N -0.203 108.522 108.800 -0.125 0.000 2.446 330 G HA2 -0.132 3.831 3.960 0.006 0.000 0.217 330 G HA3 -0.132 3.831 3.960 0.006 0.000 0.217 330 G C 1.406 176.446 174.900 0.234 0.000 1.168 330 G CA 1.962 47.241 45.100 0.298 0.000 0.771 330 G HN 0.704 nan 8.290 nan 0.000 0.551 331 A N 0.046 122.943 122.820 0.128 0.000 1.883 331 A HA -0.105 4.219 4.320 0.006 0.000 0.217 331 A C 2.240 179.932 177.584 0.181 0.000 1.186 331 A CA 1.855 53.964 52.037 0.120 0.000 0.624 331 A CB -0.841 18.202 19.000 0.071 0.000 0.822 331 A HN 0.468 nan 8.150 nan 0.000 0.444 332 Y N 0.629 121.016 120.300 0.145 0.000 2.151 332 Y HA -0.219 4.333 4.550 0.004 0.000 0.284 332 Y C 2.419 178.505 175.900 0.310 0.000 1.166 332 Y CA 1.991 60.260 58.100 0.281 0.000 1.163 332 Y CB -0.391 38.231 38.460 0.271 0.000 0.974 332 Y HN 0.072 nan 8.280 nan 0.000 0.511 333 V N 0.769 120.977 119.914 0.491 0.000 2.427 333 V HA -0.288 3.836 4.120 0.006 0.000 0.248 333 V C 2.544 178.794 176.094 0.260 0.000 1.051 333 V CA 2.166 64.636 62.300 0.283 0.000 1.048 333 V CB -0.715 31.298 31.823 0.317 0.000 0.666 333 V HN 0.361 nan 8.190 nan 0.000 0.456 334 R N 0.075 120.736 120.500 0.267 0.000 2.091 334 R HA -0.244 4.099 4.340 0.006 0.000 0.238 334 R C 2.337 178.687 176.300 0.083 0.000 1.136 334 R CA 2.278 58.508 56.100 0.217 0.000 0.959 334 R CB -0.145 30.218 30.300 0.105 0.000 0.856 334 R HN 0.714 nan 8.270 nan 0.000 0.437 335 E N -1.143 119.026 120.200 -0.052 0.000 2.102 335 E HA -0.138 4.216 4.350 0.006 0.000 0.190 335 E C 1.342 177.720 176.600 -0.371 0.000 0.971 335 E CA 0.867 57.110 56.400 -0.262 0.000 0.821 335 E CB 0.088 29.525 29.700 -0.439 0.000 0.777 335 E HN 0.552 nan 8.360 nan 0.000 0.460 336 H N -1.697 117.297 119.070 -0.127 0.000 2.525 336 H HA 0.114 4.673 4.556 0.004 0.000 0.275 336 H C 0.900 176.258 175.328 0.050 0.000 0.984 336 H CA 0.947 56.963 56.048 -0.053 0.000 1.264 336 H CB 0.343 30.079 29.762 -0.042 0.000 1.432 336 H HN 0.176 nan 8.280 nan 0.000 0.549 337 F N -0.709 119.130 119.950 -0.185 0.000 2.484 337 F HA 0.107 4.637 4.527 0.005 0.000 0.268 337 F C 1.246 176.876 175.800 -0.284 0.000 0.965 337 F CA 0.120 57.901 58.000 -0.365 0.000 1.119 337 F CB -0.597 37.873 39.000 -0.884 0.000 1.153 337 F HN -0.089 nan 8.300 nan 0.000 0.689 338 F N 1.215 121.088 119.950 -0.129 0.000 2.269 338 F HA 0.033 4.563 4.527 0.005 0.000 0.301 338 F C 2.566 178.256 175.800 -0.183 0.000 1.082 338 F CA 1.355 59.225 58.000 -0.217 0.000 1.360 338 F CB -1.320 37.611 39.000 -0.116 0.000 1.041 338 F HN 0.178 nan 8.300 nan 0.000 0.512 339 G N -1.027 107.770 108.800 -0.006 0.000 2.776 339 G HA2 -0.172 3.791 3.960 0.006 0.000 0.209 339 G HA3 -0.172 3.791 3.960 0.006 0.000 0.209 339 G C 1.624 176.423 174.900 -0.169 0.000 1.145 339 G CA 0.218 45.271 45.100 -0.079 0.000 0.791 339 G HN 0.149 nan 8.290 nan 0.000 0.530 340 K N -0.531 119.715 120.400 -0.257 0.000 2.211 340 K HA 0.086 4.409 4.320 0.006 0.000 0.203 340 K C -0.449 175.698 176.600 -0.755 0.000 1.050 340 K CA 0.535 56.522 56.287 -0.500 0.000 0.945 340 K CB -0.103 32.040 32.500 -0.595 0.000 0.732 340 K HN 0.402 nan 8.250 nan 0.000 0.451 341 Y N -1.910 118.337 120.300 -0.088 0.000 2.534 341 Y HA 0.240 4.794 4.550 0.007 0.000 0.345 341 Y C -1.966 173.905 175.900 -0.049 0.000 1.031 341 Y CA -2.711 55.350 58.100 -0.065 0.000 1.022 341 Y CB 1.869 40.286 38.460 -0.072 0.000 1.292 341 Y HN -0.186 nan 8.280 nan 0.000 0.459 342 P HA -0.204 nan 4.420 nan 0.000 0.215 342 P C 1.204 178.534 177.300 0.050 0.000 1.157 342 P CA 2.231 65.367 63.100 0.059 0.000 0.874 342 P CB 0.406 32.136 31.700 0.050 0.000 0.790 343 E N -0.600 119.635 120.200 0.059 0.000 2.106 343 E HA -0.145 4.208 4.350 0.006 0.000 0.192 343 E C 1.696 178.314 176.600 0.031 0.000 0.984 343 E CA 2.061 58.476 56.400 0.025 0.000 0.806 343 E CB -1.833 27.865 29.700 -0.003 0.000 0.750 343 E HN 0.346 nan 8.360 nan 0.000 0.458 344 T N -0.660 113.941 114.554 0.078 0.000 2.904 344 T HA 0.202 4.556 4.350 0.006 0.000 0.267 344 T C 2.185 176.941 174.700 0.093 0.000 1.059 344 T CA 1.009 63.174 62.100 0.108 0.000 1.137 344 T CB -0.168 68.772 68.868 0.120 0.000 0.879 344 T HN 0.248 nan 8.240 nan 0.000 0.467 345 A N 1.926 124.778 122.820 0.053 0.000 1.902 345 A HA 0.362 4.686 4.320 0.006 0.000 0.217 345 A C 2.783 180.326 177.584 -0.069 0.000 1.181 345 A CA 1.667 53.704 52.037 0.000 0.000 0.623 345 A CB -1.330 17.668 19.000 -0.004 0.000 0.818 345 A HN 0.705 nan 8.150 nan 0.000 0.443 346 A N -0.253 122.538 122.820 -0.048 0.000 1.969 346 A HA 0.021 4.344 4.320 0.006 0.000 0.218 346 A C 2.082 179.603 177.584 -0.105 0.000 1.169 346 A CA 1.307 53.308 52.037 -0.059 0.000 0.635 346 A CB -0.578 18.406 19.000 -0.027 0.000 0.810 346 A HN 0.480 nan 8.150 nan 0.000 0.445 347 L N -0.294 120.842 121.223 -0.145 0.000 2.131 347 L HA -0.143 4.200 4.340 0.006 0.000 0.210 347 L C 1.997 178.594 176.870 -0.455 0.000 1.092 347 L CA 1.502 56.209 54.840 -0.222 0.000 0.759 347 L CB -0.347 41.589 42.059 -0.205 0.000 0.903 347 L HN 0.452 nan 8.230 nan 0.000 0.435 348 V N -5.323 114.219 119.914 -0.619 0.000 3.427 348 V HA 0.391 4.515 4.120 0.006 0.000 0.305 348 V C 2.118 178.025 176.094 -0.313 0.000 1.412 348 V CA 0.368 62.141 62.300 -0.878 0.000 1.086 348 V CB -0.100 30.909 31.823 -1.357 0.000 0.964 348 V HN 0.155 nan 8.190 nan 0.000 0.439 349 A N 2.571 125.290 122.820 -0.168 0.000 1.917 349 A HA -0.266 4.058 4.320 0.006 0.000 0.219 349 A C 1.876 179.478 177.584 0.030 0.000 1.182 349 A CA 2.344 54.349 52.037 -0.054 0.000 0.633 349 A CB -0.733 18.245 19.000 -0.037 0.000 0.819 349 A HN 0.785 nan 8.150 nan 0.000 0.448 350 D N -2.483 117.976 120.400 0.097 0.000 2.363 350 D HA -0.042 4.602 4.640 0.006 0.000 0.226 350 D C -0.141 176.304 176.300 0.242 0.000 1.020 350 D CA 0.022 54.114 54.000 0.153 0.000 0.892 350 D CB -0.224 40.666 40.800 0.151 0.000 0.900 350 D HN 0.531 nan 8.370 nan 0.000 0.531 351 W N 2.130 123.365 121.300 -0.109 0.000 2.448 351 W HA 0.332 4.995 4.660 0.005 0.000 0.339 351 W C 0.827 177.301 176.519 -0.075 0.000 1.124 351 W CA -1.022 56.259 57.345 -0.107 0.000 1.262 351 W CB 0.875 30.235 29.460 -0.168 0.000 1.251 351 W HN -0.255 nan 8.180 nan 0.000 0.597 352 T N -1.595 113.033 114.554 0.124 0.000 2.849 352 T HA 0.108 4.461 4.350 0.006 0.000 0.284 352 T C 0.741 175.524 174.700 0.138 0.000 1.004 352 T CA -0.464 61.686 62.100 0.083 0.000 1.021 352 T CB 1.194 70.077 68.868 0.025 0.000 1.013 352 T HN 0.339 nan 8.240 nan 0.000 0.527 353 D N 0.813 121.277 120.400 0.107 0.000 2.144 353 D HA -0.083 4.560 4.640 0.006 0.000 0.199 353 D C 1.936 178.351 176.300 0.191 0.000 0.984 353 D CA 1.287 55.369 54.000 0.137 0.000 0.834 353 D CB -0.149 40.698 40.800 0.079 0.000 0.955 353 D HN 0.703 nan 8.370 nan 0.000 0.465 354 E N 0.684 120.967 120.200 0.139 0.000 2.110 354 E HA -0.147 4.207 4.350 0.006 0.000 0.193 354 E C 2.105 178.829 176.600 0.207 0.000 0.988 354 E CA 0.812 57.315 56.400 0.171 0.000 0.804 354 E CB -0.216 29.536 29.700 0.087 0.000 0.745 354 E HN 0.406 nan 8.360 nan 0.000 0.458 355 Q N -0.348 119.536 119.800 0.140 0.000 2.230 355 Q HA 0.014 4.358 4.340 0.006 0.000 0.202 355 Q C 2.080 178.277 176.000 0.329 0.000 0.963 355 Q CA 0.675 56.530 55.803 0.086 0.000 0.866 355 Q CB 0.051 28.689 28.738 -0.167 0.000 0.931 355 Q HN 0.336 nan 8.270 nan 0.000 0.452 356 I N -0.399 120.423 120.570 0.420 0.000 2.353 356 I HA -0.230 3.943 4.170 0.006 0.000 0.248 356 I C 2.065 178.381 176.117 0.332 0.000 1.119 356 I CA 0.757 62.276 61.300 0.364 0.000 1.417 356 I CB -0.276 37.875 38.000 0.250 0.000 1.078 356 I HN 0.470 nan 8.210 nan 0.000 0.421 357 W N 1.772 123.158 121.300 0.143 0.000 2.350 357 W HA -0.234 4.430 4.660 0.006 0.000 0.289 357 W C 2.238 178.829 176.519 0.119 0.000 1.215 357 W CA 1.217 58.638 57.345 0.126 0.000 1.236 357 W CB 0.165 29.683 29.460 0.098 0.000 1.130 357 W HN 0.133 nan 8.180 nan 0.000 0.541 358 A N 0.527 123.411 122.820 0.107 0.000 2.239 358 A HA 0.040 4.363 4.320 0.006 0.000 0.209 358 A C 0.899 178.477 177.584 -0.010 0.000 1.171 358 A CA 0.297 52.337 52.037 0.003 0.000 0.768 358 A CB -0.801 18.224 19.000 0.043 0.000 0.790 358 A HN 0.175 nan 8.150 nan 0.000 0.478 359 L N 1.094 122.302 121.223 -0.025 0.000 2.455 359 L HA 0.103 4.446 4.340 0.006 0.000 0.272 359 L C 0.287 177.282 176.870 0.209 0.000 1.174 359 L CA -0.161 54.644 54.840 -0.058 0.000 0.869 359 L CB 0.170 41.983 42.059 -0.410 0.000 1.130 359 L HN 0.311 nan 8.230 nan 0.000 0.474 360 N N 2.391 121.361 118.700 0.449 0.000 2.380 360 N HA 0.423 5.166 4.740 0.006 0.000 0.290 360 N C -0.907 174.922 175.510 0.533 0.000 1.236 360 N CA -0.786 52.501 53.050 0.394 0.000 0.780 360 N CB 1.836 40.471 38.487 0.246 0.000 1.438 360 N HN 0.387 nan 8.380 nan 0.000 0.491 361 R N -0.318 120.341 120.500 0.264 0.000 2.490 361 R HA 0.271 4.614 4.340 0.006 0.000 0.280 361 R C 1.315 177.637 176.300 0.036 0.000 1.077 361 R CA -0.088 56.017 56.100 0.007 0.000 1.065 361 R CB 0.404 30.491 30.300 -0.355 0.000 1.003 361 R HN 0.753 nan 8.270 nan 0.000 0.470 362 G N 1.931 110.686 108.800 -0.075 0.000 2.469 362 G HA2 -0.276 3.688 3.960 0.006 0.000 0.220 362 G HA3 -0.276 3.688 3.960 0.006 0.000 0.220 362 G C 1.271 176.114 174.900 -0.095 0.000 1.136 362 G CA 0.882 45.952 45.100 -0.051 0.000 0.759 362 G HN 0.756 nan 8.290 nan 0.000 0.562 363 G N -1.147 107.524 108.800 -0.214 0.000 2.708 363 G HA2 -0.038 3.926 3.960 0.006 0.000 0.210 363 G HA3 -0.038 3.926 3.960 0.006 0.000 0.210 363 G C 1.203 175.838 174.900 -0.441 0.000 1.141 363 G CA 0.428 45.344 45.100 -0.307 0.000 0.788 363 G HN 0.577 nan 8.290 nan 0.000 0.531 364 H N -0.749 118.230 119.070 -0.152 0.000 2.755 364 H HA 0.113 4.673 4.556 0.006 0.000 0.273 364 H C -0.446 174.853 175.328 -0.049 0.000 1.055 364 H CA -0.202 55.731 56.048 -0.192 0.000 1.191 364 H CB 1.117 30.661 29.762 -0.364 0.000 1.536 364 H HN 0.259 nan 8.280 nan 0.000 0.529 365 D N 1.420 121.858 120.400 0.063 0.000 2.427 365 D HA 0.144 4.787 4.640 0.006 0.000 0.226 365 D C -1.942 174.380 176.300 0.037 0.000 1.076 365 D CA -2.233 51.807 54.000 0.066 0.000 0.849 365 D CB 2.239 43.097 40.800 0.097 0.000 1.052 365 D HN -0.031 nan 8.370 nan 0.000 0.515 366 P HA -0.150 nan 4.420 nan 0.000 0.217 366 P C 0.988 178.299 177.300 0.018 0.000 1.148 366 P CA 1.331 64.415 63.100 -0.027 0.000 0.828 366 P CB 0.413 31.956 31.700 -0.261 0.000 0.783 367 K N -0.530 119.828 120.400 -0.070 0.000 2.057 367 K HA -0.087 4.236 4.320 0.006 0.000 0.206 367 K C 1.922 178.645 176.600 0.206 0.000 1.050 367 K CA 1.037 57.375 56.287 0.084 0.000 0.935 367 K CB -0.178 32.337 32.500 0.025 0.000 0.715 367 K HN 0.047 nan 8.250 nan 0.000 0.439 368 K N 0.983 121.464 120.400 0.136 0.000 2.103 368 K HA -0.013 4.311 4.320 0.006 0.000 0.204 368 K C 2.107 178.779 176.600 0.120 0.000 1.052 368 K CA 0.974 57.329 56.287 0.114 0.000 0.945 368 K CB -0.255 32.286 32.500 0.068 0.000 0.722 368 K HN 0.170 nan 8.250 nan 0.000 0.443 369 I N 0.075 120.738 120.570 0.156 0.000 2.142 369 I HA -0.330 3.843 4.170 0.006 0.000 0.240 369 I C 2.424 178.745 176.117 0.339 0.000 1.078 369 I CA 1.359 62.782 61.300 0.205 0.000 1.343 369 I CB -0.394 37.750 38.000 0.239 0.000 1.046 369 I HN 0.041 nan 8.210 nan 0.000 0.405 370 Y N 1.700 122.194 120.300 0.323 0.000 2.114 370 Y HA -0.363 4.191 4.550 0.005 0.000 0.282 370 Y C 2.522 178.592 175.900 0.283 0.000 1.165 370 Y CA 1.659 60.000 58.100 0.401 0.000 1.148 370 Y CB -0.443 38.270 38.460 0.422 0.000 0.972 370 Y HN 0.159 nan 8.280 nan 0.000 0.504 371 A N 0.523 123.549 122.820 0.344 0.000 1.892 371 A HA -0.246 4.078 4.320 0.006 0.000 0.218 371 A C 2.447 180.032 177.584 0.000 0.000 1.188 371 A CA 2.450 54.594 52.037 0.179 0.000 0.631 371 A CB -1.650 17.444 19.000 0.158 0.000 0.822 371 A HN 0.656 nan 8.150 nan 0.000 0.447 372 A N -1.272 121.510 122.820 -0.063 0.000 1.858 372 A HA -0.012 4.312 4.320 0.006 0.000 0.216 372 A C 2.013 179.374 177.584 -0.371 0.000 1.190 372 A CA 1.571 53.464 52.037 -0.239 0.000 0.617 372 A CB -0.831 17.958 19.000 -0.351 0.000 0.827 372 A HN 0.484 nan 8.150 nan 0.000 0.443 373 F N -0.116 119.601 119.950 -0.388 0.000 2.171 373 F HA -0.138 4.392 4.527 0.005 0.000 0.300 373 F C 2.331 177.791 175.800 -0.567 0.000 1.090 373 F CA 1.835 59.416 58.000 -0.697 0.000 1.293 373 F CB -0.095 38.026 39.000 -1.465 0.000 1.013 373 F HN 0.117 nan 8.300 nan 0.000 0.486 374 K N 0.936 121.223 120.400 -0.188 0.000 2.057 374 K HA -0.184 4.139 4.320 0.006 0.000 0.206 374 K C 1.971 178.564 176.600 -0.012 0.000 1.050 374 K CA 1.348 57.642 56.287 0.012 0.000 0.935 374 K CB -0.234 32.202 32.500 -0.107 0.000 0.715 374 K HN -0.057 nan 8.250 nan 0.000 0.439 375 K N 0.093 120.455 120.400 -0.065 0.000 2.097 375 K HA 0.017 4.340 4.320 0.006 0.000 0.206 375 K C 1.755 178.306 176.600 -0.082 0.000 1.049 375 K CA 1.434 57.686 56.287 -0.059 0.000 0.933 375 K CB -0.515 31.942 32.500 -0.072 0.000 0.717 375 K HN 0.174 nan 8.250 nan 0.000 0.442 376 A N 0.517 123.257 122.820 -0.132 0.000 1.933 376 A HA -0.234 4.089 4.320 0.006 0.000 0.218 376 A C 2.159 179.698 177.584 -0.075 0.000 1.175 376 A CA 1.784 53.741 52.037 -0.133 0.000 0.628 376 A CB -0.645 18.242 19.000 -0.189 0.000 0.814 376 A HN 0.549 nan 8.150 nan 0.000 0.444 377 Q N -0.684 119.106 119.800 -0.017 0.000 2.170 377 Q HA -0.186 4.157 4.340 0.006 0.000 0.203 377 Q C 1.455 177.460 176.000 0.009 0.000 0.976 377 Q CA 1.637 57.463 55.803 0.039 0.000 0.858 377 Q CB -0.056 28.772 28.738 0.150 0.000 0.907 377 Q HN 0.799 nan 8.270 nan 0.000 0.433 378 E N -0.654 119.544 120.200 -0.004 0.000 2.479 378 E HA 0.031 4.384 4.350 0.006 0.000 0.193 378 E C -0.336 176.243 176.600 -0.034 0.000 1.049 378 E CA 0.027 56.421 56.400 -0.010 0.000 0.870 378 E CB 0.623 30.322 29.700 -0.000 0.000 0.944 378 E HN 0.101 nan 8.360 nan 0.000 0.492 379 T N 2.299 116.820 114.554 -0.055 0.000 2.794 379 T HA 0.197 4.550 4.350 0.006 0.000 0.296 379 T C 0.059 174.707 174.700 -0.087 0.000 0.949 379 T CA -0.231 61.825 62.100 -0.073 0.000 1.101 379 T CB 0.931 69.744 68.868 -0.092 0.000 0.905 379 T HN -0.144 nan 8.240 nan 0.000 0.516 380 K N 1.174 121.526 120.400 -0.081 0.000 2.295 380 K HA 0.646 4.969 4.320 0.006 0.000 0.239 380 K C 1.184 177.723 176.600 -0.101 0.000 0.991 380 K CA -0.615 55.619 56.287 -0.088 0.000 0.845 380 K CB 1.720 34.182 32.500 -0.063 0.000 1.197 380 K HN 0.740 nan 8.250 nan 0.000 0.441 381 G N 0.873 109.608 108.800 -0.109 0.000 2.205 381 G HA2 -0.297 3.666 3.960 0.006 0.000 0.261 381 G HA3 -0.297 3.666 3.960 0.006 0.000 0.261 381 G C -0.078 174.725 174.900 -0.162 0.000 0.980 381 G CA 1.196 46.226 45.100 -0.115 0.000 0.632 381 G HN 0.629 nan 8.290 nan 0.000 0.533 382 K N -1.387 118.885 120.400 -0.213 0.000 2.658 382 K HA 0.770 5.093 4.320 0.006 0.000 0.293 382 K C -0.297 176.043 176.600 -0.433 0.000 1.026 382 K CA -0.443 55.649 56.287 -0.324 0.000 0.871 382 K CB 0.766 33.105 32.500 -0.268 0.000 1.524 382 K HN 1.228 nan 8.250 nan 0.000 0.400 383 A N 0.806 123.174 122.820 -0.753 0.000 2.287 383 A HA 0.605 4.928 4.320 0.006 0.000 0.273 383 A C -0.510 176.731 177.584 -0.572 0.000 1.091 383 A CA -0.222 51.275 52.037 -0.900 0.000 0.817 383 A CB 0.695 18.632 19.000 -1.773 0.000 1.069 383 A HN 0.590 nan 8.150 nan 0.000 0.492 384 T N 0.252 114.627 114.554 -0.299 0.000 2.863 384 T HA 0.525 4.879 4.350 0.006 0.000 0.285 384 T C -0.976 173.797 174.700 0.122 0.000 1.009 384 T CA -0.338 61.737 62.100 -0.042 0.000 0.989 384 T CB 1.443 70.234 68.868 -0.129 0.000 1.004 384 T HN 1.001 nan 8.240 nan 0.000 0.455 385 V N 4.606 124.570 119.914 0.083 0.000 2.531 385 V HA 0.647 4.771 4.120 0.006 0.000 0.301 385 V C -1.177 174.762 176.094 -0.257 0.000 1.034 385 V CA -0.892 61.333 62.300 -0.125 0.000 0.865 385 V CB 1.012 32.511 31.823 -0.541 0.000 0.995 385 V HN 0.842 nan 8.190 nan 0.000 0.424 386 I N 7.403 127.783 120.570 -0.317 0.000 2.339 386 I HA 0.395 4.568 4.170 0.006 0.000 0.290 386 I C -0.457 175.448 176.117 -0.353 0.000 0.994 386 I CA -0.457 60.615 61.300 -0.379 0.000 1.191 386 I CB 1.592 39.258 38.000 -0.556 0.000 1.343 386 I HN 0.416 nan 8.210 nan 0.000 0.458 387 L N 6.922 127.949 121.223 -0.327 0.000 2.272 387 L HA 0.535 4.878 4.340 0.006 0.000 0.284 387 L C 0.313 177.007 176.870 -0.293 0.000 1.045 387 L CA -0.422 54.235 54.840 -0.304 0.000 0.842 387 L CB 0.892 42.770 42.059 -0.301 0.000 1.224 387 L HN 0.642 nan 8.230 nan 0.000 0.430 388 A N 2.842 125.510 122.820 -0.254 0.000 2.253 388 A HA 0.238 4.561 4.320 0.006 0.000 0.316 388 A C -0.358 177.116 177.584 -0.184 0.000 1.327 388 A CA -0.394 51.507 52.037 -0.227 0.000 0.917 388 A CB -0.090 18.791 19.000 -0.198 0.000 1.162 388 A HN 0.781 nan 8.150 nan 0.000 0.535 389 H N 3.192 122.046 119.070 -0.361 0.000 2.944 389 H HA 0.344 4.903 4.556 0.005 0.000 0.278 389 H C 0.408 175.551 175.328 -0.309 0.000 1.083 389 H CA 0.698 56.517 56.048 -0.382 0.000 1.479 389 H CB 0.472 29.874 29.762 -0.601 0.000 1.486 389 H HN 0.781 nan 8.280 nan 0.000 0.493 390 T N 2.221 116.651 114.554 -0.207 0.000 2.858 390 T HA 0.484 4.837 4.350 0.006 0.000 0.285 390 T C -0.189 174.508 174.700 -0.004 0.000 1.052 390 T CA -0.997 60.971 62.100 -0.220 0.000 1.009 390 T CB 1.652 70.332 68.868 -0.313 0.000 1.241 390 T HN 0.403 nan 8.240 nan 0.000 0.542 391 I N 1.077 121.828 120.570 0.303 0.000 2.355 391 I HA 0.404 4.578 4.170 0.006 0.000 0.288 391 I C 0.142 176.413 176.117 0.257 0.000 0.999 391 I CA -0.882 60.554 61.300 0.227 0.000 1.163 391 I CB 1.707 39.847 38.000 0.234 0.000 1.316 391 I HN 0.612 nan 8.210 nan 0.000 0.454 392 K N 4.791 125.303 120.400 0.186 0.000 2.322 392 K HA 0.399 4.722 4.320 0.006 0.000 0.283 392 K C 0.879 177.603 176.600 0.208 0.000 1.042 392 K CA 0.490 56.890 56.287 0.189 0.000 0.958 392 K CB 0.732 33.320 32.500 0.147 0.000 0.984 392 K HN 0.886 nan 8.250 nan 0.000 0.473 393 G N 3.245 112.184 108.800 0.233 0.000 2.149 393 G HA2 -0.305 3.658 3.960 0.006 0.000 0.235 393 G HA3 -0.305 3.658 3.960 0.006 0.000 0.235 393 G C -0.408 174.646 174.900 0.257 0.000 1.018 393 G CA 0.166 45.399 45.100 0.222 0.000 0.728 393 G HN 0.725 nan 8.290 nan 0.000 0.508 394 Y N 0.723 121.119 120.300 0.159 0.000 2.805 394 Y HA 0.290 4.843 4.550 0.005 0.000 0.331 394 Y C 1.629 177.673 175.900 0.240 0.000 1.241 394 Y CA 1.284 59.464 58.100 0.132 0.000 1.546 394 Y CB 0.321 38.857 38.460 0.127 0.000 1.248 394 Y HN 1.474 nan 8.280 nan 0.000 0.559 395 G N 5.163 113.778 108.800 -0.309 0.000 2.196 395 G HA2 -0.360 3.603 3.960 0.006 0.000 0.268 395 G HA3 -0.360 3.603 3.960 0.006 0.000 0.268 395 G C 0.801 175.752 174.900 0.085 0.000 0.975 395 G CA 0.759 45.701 45.100 -0.264 0.000 0.648 395 G HN 0.685 nan 8.290 nan 0.000 0.538 396 M N 0.202 119.916 119.600 0.190 0.000 2.541 396 M HA 0.335 4.819 4.480 0.006 0.000 0.252 396 M C 1.758 178.252 176.300 0.324 0.000 1.125 396 M CA 1.002 56.457 55.300 0.259 0.000 1.091 396 M CB 0.002 32.730 32.600 0.212 0.000 1.420 396 M HN 1.245 nan 8.290 nan 0.000 0.486 397 G N 1.936 110.903 108.800 0.278 0.000 2.698 397 G HA2 -0.299 3.665 3.960 0.006 0.000 0.233 397 G HA3 -0.299 3.665 3.960 0.006 0.000 0.233 397 G C 0.226 175.172 174.900 0.078 0.000 1.352 397 G CA -0.050 45.141 45.100 0.153 0.000 0.879 397 G HN 0.502 nan 8.290 nan 0.000 0.567 398 D N -0.317 120.085 120.400 0.004 0.000 2.347 398 D HA -0.312 4.331 4.640 0.006 0.000 0.189 398 D C 2.513 178.841 176.300 0.047 0.000 1.020 398 D CA 3.443 57.454 54.000 0.017 0.000 0.875 398 D CB -1.240 39.547 40.800 -0.022 0.000 0.928 398 D HN 1.616 nan 8.370 nan 0.000 0.454 399 A N 2.172 125.023 122.820 0.051 0.000 1.948 399 A HA 0.151 4.475 4.320 0.006 0.000 0.220 399 A C 1.544 179.185 177.584 0.094 0.000 1.177 399 A CA 2.971 55.051 52.037 0.072 0.000 0.636 399 A CB -0.998 18.052 19.000 0.083 0.000 0.815 399 A HN 1.349 nan 8.150 nan 0.000 0.449 415 D N -0.812 119.618 120.400 0.050 0.000 2.415 415 D HA 0.390 5.033 4.640 0.006 0.000 0.269 415 D C 1.392 177.748 176.300 0.092 0.000 1.099 415 D CA 1.036 55.080 54.000 0.073 0.000 0.865 415 D CB 0.407 41.242 40.800 0.058 0.000 1.359 415 D HN 0.556 nan 8.370 nan 0.000 0.506 416 G N 0.781 109.628 108.800 0.078 0.000 2.653 416 G HA2 -0.103 3.861 3.960 0.006 0.000 0.212 416 G HA3 -0.103 3.861 3.960 0.006 0.000 0.212 416 G C 1.444 176.428 174.900 0.140 0.000 1.138 416 G CA 1.274 46.433 45.100 0.098 0.000 0.782 416 G HN 0.341 nan 8.290 nan 0.000 0.535 417 V N -0.903 119.087 119.914 0.127 0.000 3.471 417 V HA 0.153 4.276 4.120 0.006 0.000 0.258 417 V C 2.399 178.643 176.094 0.249 0.000 1.192 417 V CA 0.954 63.337 62.300 0.139 0.000 1.116 417 V CB -0.155 31.689 31.823 0.036 0.000 0.792 417 V HN 0.476 nan 8.190 nan 0.000 0.459 418 R N 0.301 120.932 120.500 0.218 0.000 2.237 418 R HA -0.178 4.165 4.340 0.006 0.000 0.219 418 R C 2.125 178.537 176.300 0.186 0.000 1.080 418 R CA 1.855 58.077 56.100 0.204 0.000 0.995 418 R CB -1.081 29.303 30.300 0.141 0.000 0.875 418 R HN 0.689 nan 8.270 nan 0.000 0.462 419 H N 2.277 121.418 119.070 0.119 0.000 2.363 419 H HA -0.056 4.504 4.556 0.006 0.000 0.301 419 H C 1.918 177.313 175.328 0.112 0.000 1.074 419 H CA 1.897 57.997 56.048 0.087 0.000 1.354 419 H CB -0.037 29.765 29.762 0.067 0.000 1.397 419 H HN 0.370 nan 8.280 nan 0.000 0.516 420 I N 0.101 120.645 120.570 -0.044 0.000 2.617 420 I HA 0.016 4.189 4.170 0.006 0.000 0.256 420 I C 2.172 178.414 176.117 0.209 0.000 1.167 420 I CA 1.351 62.658 61.300 0.011 0.000 1.469 420 I CB -0.459 37.688 38.000 0.245 0.000 1.098 420 I HN 0.153 nan 8.210 nan 0.000 0.436 421 R N 0.707 121.370 120.500 0.271 0.000 2.235 421 R HA -0.017 4.326 4.340 0.006 0.000 0.213 421 R C 1.156 177.470 176.300 0.023 0.000 1.059 421 R CA 1.474 57.677 56.100 0.172 0.000 0.997 421 R CB -1.190 29.143 30.300 0.055 0.000 0.884 421 R HN 0.407 nan 8.270 nan 0.000 0.462 422 D N 0.135 120.524 120.400 -0.018 0.000 2.262 422 D HA -0.019 4.625 4.640 0.006 0.000 0.212 422 D C 1.638 177.858 176.300 -0.133 0.000 0.964 422 D CA 0.588 54.556 54.000 -0.055 0.000 0.875 422 D CB -0.073 40.710 40.800 -0.027 0.000 0.996 422 D HN 0.135 nan 8.370 nan 0.000 0.497 423 R N 0.448 120.785 120.500 -0.273 0.000 2.081 423 R HA -0.081 4.262 4.340 0.006 0.000 0.235 423 R C 1.201 177.134 176.300 -0.612 0.000 1.131 423 R CA 1.288 57.075 56.100 -0.523 0.000 0.960 423 R CB -0.593 29.215 30.300 -0.819 0.000 0.856 423 R HN 0.085 nan 8.270 nan 0.000 0.436 424 F N 0.199 120.117 119.950 -0.053 0.000 2.647 424 F HA 0.320 4.851 4.527 0.006 0.000 0.300 424 F C -0.172 175.627 175.800 -0.001 0.000 1.106 424 F CA -0.525 57.474 58.000 -0.001 0.000 1.313 424 F CB -0.430 38.601 39.000 0.052 0.000 1.007 424 F HN 0.008 nan 8.300 nan 0.000 0.536 425 N N 0.125 118.857 118.700 0.053 0.000 2.705 425 N HA -0.172 4.572 4.740 0.006 0.000 0.255 425 N C -0.771 174.746 175.510 0.010 0.000 1.008 425 N CA 0.174 53.234 53.050 0.018 0.000 0.742 425 N CB -1.232 37.267 38.487 0.019 0.000 0.906 425 N HN -0.004 nan 8.380 nan 0.000 0.541 426 V N 1.103 120.995 119.914 -0.035 0.000 2.614 426 V HA 0.232 4.355 4.120 0.006 0.000 0.291 426 V C -1.134 174.811 176.094 -0.248 0.000 1.049 426 V CA -0.936 61.256 62.300 -0.181 0.000 1.038 426 V CB 1.198 32.768 31.823 -0.422 0.000 0.980 426 V HN 0.212 nan 8.190 nan 0.000 0.481 427 P HA 0.180 nan 4.420 nan 0.000 0.220 427 P C -0.688 176.466 177.300 -0.242 0.000 1.806 427 P CA 0.215 63.210 63.100 -0.176 0.000 0.976 427 P CB 0.639 32.285 31.700 -0.090 0.000 1.952 428 V N 0.822 120.544 119.914 -0.319 0.000 2.483 428 V HA 0.298 4.421 4.120 0.006 0.000 0.297 428 V C -0.025 175.979 176.094 -0.150 0.000 1.027 428 V CA -0.569 61.561 62.300 -0.283 0.000 0.855 428 V CB 2.004 33.522 31.823 -0.509 0.000 0.995 428 V HN 0.147 nan 8.190 nan 0.000 0.424 429 S N 4.391 120.044 115.700 -0.078 0.000 2.575 429 S HA -0.041 4.432 4.470 0.006 0.000 0.295 429 S C 1.065 175.658 174.600 -0.010 0.000 1.267 429 S CA 0.778 58.956 58.200 -0.036 0.000 1.074 429 S CB 0.564 63.754 63.200 -0.018 0.000 0.829 429 S HN 1.051 nan 8.310 nan 0.000 0.497 430 D N 3.101 123.501 120.400 -0.001 0.000 2.389 430 D HA -0.106 4.537 4.640 0.006 0.000 0.221 430 D C 1.462 177.780 176.300 0.030 0.000 0.974 430 D CA 1.146 55.161 54.000 0.025 0.000 0.923 430 D CB 0.025 40.839 40.800 0.024 0.000 0.892 430 D HN 0.598 nan 8.370 nan 0.000 0.518 431 A N -0.468 122.364 122.820 0.019 0.000 2.195 431 A HA 0.082 4.405 4.320 0.006 0.000 0.210 431 A C 1.296 178.893 177.584 0.023 0.000 1.165 431 A CA 0.425 52.473 52.037 0.019 0.000 0.806 431 A CB 0.352 19.359 19.000 0.011 0.000 0.847 431 A HN 0.147 nan 8.150 nan 0.000 0.482 432 D N -0.703 119.714 120.400 0.027 0.000 2.469 432 D HA 0.185 4.829 4.640 0.006 0.000 0.213 432 D C 1.399 177.741 176.300 0.069 0.000 1.135 432 D CA -0.042 53.978 54.000 0.035 0.000 0.834 432 D CB 0.129 40.941 40.800 0.021 0.000 1.009 432 D HN 0.421 nan 8.370 nan 0.000 0.507 433 I N 1.109 121.735 120.570 0.095 0.000 2.530 433 I HA -0.248 3.925 4.170 0.006 0.000 0.257 433 I C 1.761 177.949 176.117 0.117 0.000 1.179 433 I CA 1.148 62.554 61.300 0.177 0.000 1.440 433 I CB 0.031 38.143 38.000 0.186 0.000 1.087 433 I HN -0.153 nan 8.210 nan 0.000 0.440 434 E N 1.001 121.240 120.200 0.065 0.000 2.150 434 E HA -0.154 4.199 4.350 0.006 0.000 0.193 434 E C 1.819 178.424 176.600 0.008 0.000 0.985 434 E CA 0.920 57.338 56.400 0.031 0.000 0.814 434 E CB -0.129 29.584 29.700 0.022 0.000 0.752 434 E HN 0.372 nan 8.360 nan 0.000 0.466 435 K N 0.293 120.701 120.400 0.012 0.000 2.487 435 K HA 0.139 4.463 4.320 0.006 0.000 0.192 435 K C -0.124 176.443 176.600 -0.055 0.000 1.027 435 K CA 0.014 56.290 56.287 -0.017 0.000 1.054 435 K CB 0.031 32.526 32.500 -0.008 0.000 0.824 435 K HN 0.051 nan 8.250 nan 0.000 0.510 436 L N 1.264 122.470 121.223 -0.029 0.000 3.762 436 L HA -0.169 4.175 4.340 0.006 0.000 0.460 436 L C -2.174 174.585 176.870 -0.185 0.000 1.255 436 L CA -0.617 54.158 54.840 -0.108 0.000 0.783 436 L CB -1.490 40.442 42.059 -0.212 0.000 1.600 436 L HN 0.124 nan 8.230 nan 0.000 0.862 437 P HA 0.124 nan 4.420 nan 0.000 0.275 437 P C -0.491 176.861 177.300 0.087 0.000 1.228 437 P CA -0.070 63.016 63.100 -0.024 0.000 0.786 437 P CB 0.629 32.375 31.700 0.076 0.000 0.927 438 Y N 0.798 121.188 120.300 0.149 0.000 2.307 438 Y HA 0.338 4.892 4.550 0.006 0.000 0.324 438 Y C 1.100 177.133 175.900 0.223 0.000 1.238 438 Y CA -0.300 57.902 58.100 0.170 0.000 1.280 438 Y CB 0.498 38.945 38.460 -0.022 0.000 1.248 438 Y HN 0.150 nan 8.280 nan 0.000 0.508 439 I N 2.397 123.207 120.570 0.400 0.000 2.412 439 I HA 0.401 4.574 4.170 0.006 0.000 0.296 439 I C -0.146 175.966 176.117 -0.009 0.000 0.987 439 I CA -0.517 60.837 61.300 0.090 0.000 1.180 439 I CB 1.672 39.616 38.000 -0.094 0.000 1.340 439 I HN 0.692 nan 8.210 nan 0.000 0.455 440 T N 1.945 116.396 114.554 -0.172 0.000 2.906 440 T HA 0.619 4.972 4.350 0.006 0.000 0.295 440 T C -0.873 173.614 174.700 -0.354 0.000 1.075 440 T CA -0.656 61.279 62.100 -0.275 0.000 1.005 440 T CB 1.687 70.458 68.868 -0.160 0.000 1.136 440 T HN 0.120 nan 8.240 nan 0.000 0.498 441 F N 2.762 122.745 119.950 0.055 0.000 2.388 441 F HA 0.494 5.024 4.527 0.005 0.000 0.358 441 F C -1.846 174.000 175.800 0.077 0.000 1.122 441 F CA -2.450 55.603 58.000 0.088 0.000 1.056 441 F CB 1.271 40.353 39.000 0.137 0.000 1.155 441 F HN 0.409 nan 8.300 nan 0.000 0.461 442 P HA -0.029 nan 4.420 nan 0.000 0.269 442 P C -0.342 176.867 177.300 -0.151 0.000 1.209 442 P CA -0.262 62.845 63.100 0.013 0.000 0.776 442 P CB 0.900 32.610 31.700 0.017 0.000 0.876 443 E N 0.734 120.708 120.200 -0.377 0.000 2.414 443 E HA 0.220 4.573 4.350 0.006 0.000 0.263 443 E C 1.033 177.468 176.600 -0.276 0.000 1.000 443 E CA 0.671 56.656 56.400 -0.691 0.000 0.914 443 E CB -0.472 28.937 29.700 -0.485 0.000 0.948 443 E HN 0.777 nan 8.360 nan 0.000 0.444 444 G N 3.127 111.821 108.800 -0.176 0.000 2.259 444 G HA2 -0.299 3.664 3.960 0.006 0.000 0.217 444 G HA3 -0.299 3.664 3.960 0.006 0.000 0.217 444 G C 0.189 175.099 174.900 0.018 0.000 1.001 444 G CA 0.139 45.215 45.100 -0.040 0.000 0.627 444 G HN 0.909 nan 8.290 nan 0.000 0.501 445 S N 0.533 116.256 115.700 0.038 0.000 2.585 445 S HA 0.540 5.013 4.470 0.006 0.000 0.273 445 S C 1.050 175.690 174.600 0.068 0.000 1.339 445 S CA 0.611 58.849 58.200 0.064 0.000 1.028 445 S CB 1.957 65.219 63.200 0.103 0.000 0.906 445 S HN 0.364 nan 8.310 nan 0.000 0.528 446 E N 1.348 121.561 120.200 0.021 0.000 2.065 446 E HA -0.246 4.107 4.350 0.006 0.000 0.201 446 E C 1.815 178.399 176.600 -0.028 0.000 1.016 446 E CA 2.084 58.489 56.400 0.008 0.000 0.818 446 E CB -0.209 29.472 29.700 -0.031 0.000 0.749 446 E HN 0.809 nan 8.360 nan 0.000 0.453 447 E N -0.172 119.911 120.200 -0.196 0.000 2.023 447 E HA -0.223 4.130 4.350 0.006 0.000 0.196 447 E C 2.027 178.511 176.600 -0.193 0.000 1.003 447 E CA 1.371 57.495 56.400 -0.460 0.000 0.809 447 E CB -0.425 28.431 29.700 -1.405 0.000 0.755 447 E HN 0.330 nan 8.360 nan 0.000 0.449 448 H N 0.282 119.293 119.070 -0.100 0.000 2.319 448 H HA -0.114 4.446 4.556 0.006 0.000 0.299 448 H C 1.816 177.260 175.328 0.194 0.000 1.092 448 H CA 2.083 58.211 56.048 0.132 0.000 1.302 448 H CB -0.127 29.746 29.762 0.186 0.000 1.373 448 H HN 0.150 nan 8.280 nan 0.000 0.497 449 T N 0.393 115.121 114.554 0.290 0.000 2.684 449 T HA -0.212 4.141 4.350 0.006 0.000 0.267 449 T C 1.801 176.577 174.700 0.127 0.000 1.036 449 T CA 1.688 63.916 62.100 0.214 0.000 1.148 449 T CB -0.788 68.178 68.868 0.163 0.000 0.863 449 T HN 0.422 nan 8.240 nan 0.000 0.436 450 Y N 1.517 121.807 120.300 -0.016 0.000 2.181 450 Y HA -0.098 4.455 4.550 0.006 0.000 0.288 450 Y C 2.183 178.033 175.900 -0.083 0.000 1.146 450 Y CA 0.976 59.047 58.100 -0.049 0.000 1.164 450 Y CB -0.555 37.865 38.460 -0.067 0.000 0.982 450 Y HN 0.110 nan 8.280 nan 0.000 0.515 451 L N -0.136 121.131 121.223 0.073 0.000 1.971 451 L HA -0.310 4.034 4.340 0.006 0.000 0.215 451 L C 2.391 179.126 176.870 -0.224 0.000 1.072 451 L CA 2.296 57.079 54.840 -0.095 0.000 0.758 451 L CB -1.169 40.757 42.059 -0.223 0.000 0.889 451 L HN 0.315 nan 8.230 nan 0.000 0.433 452 H N -0.546 118.469 119.070 -0.091 0.000 2.389 452 H HA 0.023 4.582 4.556 0.006 0.000 0.299 452 H C 2.142 177.410 175.328 -0.100 0.000 1.081 452 H CA 1.286 57.303 56.048 -0.051 0.000 1.345 452 H CB -0.318 29.402 29.762 -0.070 0.000 1.393 452 H HN 0.566 nan 8.280 nan 0.000 0.520 453 A N 1.380 124.176 122.820 -0.040 0.000 1.902 453 A HA -0.176 4.147 4.320 0.006 0.000 0.217 453 A C 2.371 179.821 177.584 -0.224 0.000 1.181 453 A CA 1.242 53.203 52.037 -0.127 0.000 0.623 453 A CB -0.212 18.692 19.000 -0.160 0.000 0.818 453 A HN 0.283 nan 8.150 nan 0.000 0.443 454 Q N -0.517 119.086 119.800 -0.328 0.000 2.084 454 Q HA -0.124 4.220 4.340 0.006 0.000 0.202 454 Q C 2.201 178.066 176.000 -0.224 0.000 0.978 454 Q CA 1.137 56.735 55.803 -0.341 0.000 0.844 454 Q CB -0.409 28.084 28.738 -0.407 0.000 0.898 454 Q HN 0.483 nan 8.270 nan 0.000 0.426 455 R N 0.577 120.962 120.500 -0.192 0.000 2.075 455 R HA -0.034 4.309 4.340 0.006 0.000 0.232 455 R C 2.115 178.260 176.300 -0.258 0.000 1.126 455 R CA 0.836 56.802 56.100 -0.224 0.000 0.963 455 R CB -0.451 29.640 30.300 -0.348 0.000 0.858 455 R HN 0.316 nan 8.270 nan 0.000 0.435 456 Q N 0.880 120.554 119.800 -0.210 0.000 2.135 456 Q HA -0.111 4.233 4.340 0.006 0.000 0.204 456 Q C 1.905 177.791 176.000 -0.191 0.000 0.981 456 Q CA 1.361 57.062 55.803 -0.170 0.000 0.856 456 Q CB -0.150 28.532 28.738 -0.093 0.000 0.902 456 Q HN 0.254 nan 8.270 nan 0.000 0.425 457 K N 0.031 120.319 120.400 -0.186 0.000 2.209 457 K HA -0.023 4.300 4.320 0.006 0.000 0.204 457 K C 1.280 177.755 176.600 -0.208 0.000 1.048 457 K CA 0.609 56.780 56.287 -0.194 0.000 0.940 457 K CB 0.099 32.494 32.500 -0.174 0.000 0.729 457 K HN 0.111 nan 8.250 nan 0.000 0.451 458 L N 0.239 121.369 121.223 -0.155 0.000 2.912 458 L HA 0.163 4.506 4.340 0.006 0.000 0.240 458 L C -0.609 176.281 176.870 0.034 0.000 1.262 458 L CA -0.092 54.718 54.840 -0.051 0.000 1.058 458 L CB -0.458 41.600 42.059 -0.001 0.000 1.383 458 L HN 0.379 nan 8.230 nan 0.000 0.512 459 H N -0.931 118.099 119.070 -0.066 0.000 2.992 459 H HA -0.154 4.405 4.556 0.006 0.000 0.266 459 H C 1.012 176.276 175.328 -0.107 0.000 1.200 459 H CA 0.691 56.703 56.048 -0.060 0.000 1.135 459 H CB -1.057 28.696 29.762 -0.015 0.000 1.282 459 H HN 0.686 nan 8.280 nan 0.000 0.351 460 G N -1.948 106.751 108.800 -0.167 0.000 2.384 460 G HA2 -0.100 3.863 3.960 0.006 0.000 0.200 460 G HA3 -0.100 3.863 3.960 0.006 0.000 0.200 460 G C -1.187 173.331 174.900 -0.637 0.000 1.205 460 G CA -0.453 44.391 45.100 -0.427 0.000 1.116 460 G HN 0.242 nan 8.290 nan 0.000 0.547 461 Y N 0.443 120.802 120.300 0.099 0.000 2.487 461 Y HA 0.804 5.357 4.550 0.005 0.000 0.337 461 Y C 0.825 176.773 175.900 0.080 0.000 1.076 461 Y CA -0.415 57.742 58.100 0.095 0.000 1.115 461 Y CB 1.857 40.349 38.460 0.053 0.000 1.235 461 Y HN 0.877 nan 8.280 nan 0.000 0.468 462 L N 0.942 122.324 121.223 0.265 0.000 2.465 462 L HA 0.838 5.181 4.340 0.006 0.000 0.257 462 L C -3.155 173.781 176.870 0.110 0.000 0.988 462 L CA -2.305 52.622 54.840 0.145 0.000 0.827 462 L CB 2.697 44.856 42.059 0.166 0.000 1.397 462 L HN 0.293 nan 8.230 nan 0.000 0.410 463 P HA 0.366 nan 4.420 nan 0.000 0.277 463 P C -1.060 175.902 177.300 -0.563 0.000 1.240 463 P CA -0.178 62.723 63.100 -0.331 0.000 0.798 463 P CB 1.758 33.242 31.700 -0.360 0.000 0.979 464 S N 1.007 116.528 115.700 -0.298 0.000 2.570 464 S HA 0.730 5.203 4.470 0.006 0.000 0.270 464 S C -1.039 173.475 174.600 -0.143 0.000 1.149 464 S CA -0.928 57.145 58.200 -0.211 0.000 0.837 464 S CB 2.490 65.653 63.200 -0.062 0.000 1.124 464 S HN 0.692 nan 8.310 nan 0.000 0.465 465 R N 0.701 121.149 120.500 -0.087 0.000 2.626 465 R HA 0.421 4.764 4.340 0.006 0.000 0.274 465 R C -1.684 174.600 176.300 -0.026 0.000 1.031 465 R CA -0.434 55.621 56.100 -0.076 0.000 0.898 465 R CB 1.890 32.137 30.300 -0.088 0.000 1.222 465 R HN 0.880 nan 8.270 nan 0.000 0.455 466 Q N 5.776 125.562 119.800 -0.023 0.000 2.340 466 Q HA 0.327 4.670 4.340 0.006 0.000 0.259 466 Q C -2.094 173.926 176.000 0.034 0.000 0.964 466 Q CA -2.066 53.746 55.803 0.014 0.000 0.900 466 Q CB 1.917 30.671 28.738 0.027 0.000 1.228 466 Q HN 0.413 nan 8.270 nan 0.000 0.449 467 P HA -0.030 nan 4.420 nan 0.000 0.221 467 P C -0.608 176.805 177.300 0.187 0.000 1.150 467 P CA 0.937 64.097 63.100 0.100 0.000 0.800 467 P CB 0.395 32.130 31.700 0.059 0.000 0.787 468 N N -0.722 118.050 118.700 0.121 0.000 2.265 468 N HA 0.282 5.025 4.740 0.006 0.000 0.300 468 N C -0.555 175.031 175.510 0.126 0.000 1.148 468 N CA -0.674 52.413 53.050 0.061 0.000 0.772 468 N CB 1.514 39.915 38.487 -0.143 0.000 1.434 468 N HN -0.079 nan 8.380 nan 0.000 0.481 469 F N -1.075 118.998 119.950 0.205 0.000 2.382 469 F HA 0.415 4.945 4.527 0.005 0.000 0.331 469 F C 1.803 177.665 175.800 0.103 0.000 1.121 469 F CA -0.673 57.436 58.000 0.181 0.000 1.183 469 F CB 0.193 39.338 39.000 0.243 0.000 1.207 469 F HN 0.474 nan 8.300 nan 0.000 0.555 470 T N -2.175 112.537 114.554 0.263 0.000 3.009 470 T HA 0.036 4.389 4.350 0.006 0.000 0.258 470 T C 0.487 175.302 174.700 0.192 0.000 1.063 470 T CA 0.379 62.562 62.100 0.139 0.000 1.139 470 T CB -0.642 68.292 68.868 0.111 0.000 0.890 470 T HN 0.814 nan 8.240 nan 0.000 0.471 471 E N 1.504 121.909 120.200 0.342 0.000 2.392 471 E HA 0.202 4.556 4.350 0.006 0.000 0.256 471 E C -0.342 176.458 176.600 0.334 0.000 1.145 471 E CA -0.799 55.767 56.400 0.276 0.000 0.929 471 E CB 0.709 30.541 29.700 0.220 0.000 0.998 471 E HN 0.332 nan 8.360 nan 0.000 0.442 472 K N 2.746 123.275 120.400 0.214 0.000 2.235 472 K HA 0.295 4.619 4.320 0.006 0.000 0.266 472 K C -0.961 175.752 176.600 0.188 0.000 0.980 472 K CA -0.609 55.801 56.287 0.204 0.000 0.849 472 K CB 0.827 33.398 32.500 0.117 0.000 1.098 472 K HN 0.537 nan 8.250 nan 0.000 0.445 473 L N 3.024 124.381 121.223 0.223 0.000 2.343 473 L HA 0.287 4.631 4.340 0.006 0.000 0.275 473 L C 0.236 177.182 176.870 0.126 0.000 1.056 473 L CA -0.725 54.208 54.840 0.155 0.000 0.804 473 L CB 1.409 43.564 42.059 0.160 0.000 1.203 473 L HN 0.575 nan 8.230 nan 0.000 0.440 474 E N 3.912 124.168 120.200 0.094 0.000 2.206 474 E HA 0.303 4.656 4.350 0.006 0.000 0.244 474 E C -0.379 176.274 176.600 0.087 0.000 1.055 474 E CA -0.264 56.185 56.400 0.082 0.000 0.970 474 E CB 0.354 30.089 29.700 0.059 0.000 1.256 474 E HN 0.410 nan 8.360 nan 0.000 0.456 475 L N 3.294 124.585 121.223 0.114 0.000 2.483 475 L HA 0.103 4.446 4.340 0.006 0.000 0.275 475 L C -1.510 175.451 176.870 0.152 0.000 1.220 475 L CA -1.206 53.717 54.840 0.138 0.000 0.833 475 L CB -0.148 42.004 42.059 0.155 0.000 1.102 475 L HN 0.122 nan 8.230 nan 0.000 0.490 476 P HA 0.086 nan 4.420 nan 0.000 0.274 476 P C -0.722 176.768 177.300 0.316 0.000 1.231 476 P CA -0.462 62.735 63.100 0.162 0.000 0.790 476 P CB 1.154 32.901 31.700 0.079 0.000 0.951 477 S N 1.656 117.481 115.700 0.209 0.000 2.681 477 S HA 0.143 4.616 4.470 0.006 0.000 0.270 477 S C 1.200 175.861 174.600 0.102 0.000 1.209 477 S CA -0.679 57.640 58.200 0.199 0.000 0.988 477 S CB 0.317 63.569 63.200 0.087 0.000 1.006 477 S HN 0.342 nan 8.310 nan 0.000 0.558 478 L N 0.985 122.035 121.223 -0.287 0.000 2.141 478 L HA -0.036 4.308 4.340 0.006 0.000 0.209 478 L C 2.643 179.521 176.870 0.014 0.000 1.094 478 L CA 1.742 56.380 54.840 -0.337 0.000 0.763 478 L CB -1.219 40.540 42.059 -0.500 0.000 0.908 478 L HN 0.846 nan 8.230 nan 0.000 0.437 479 Q N -0.696 119.094 119.800 -0.016 0.000 2.181 479 Q HA -0.231 4.113 4.340 0.006 0.000 0.205 479 Q C 1.618 177.614 176.000 -0.006 0.000 0.980 479 Q CA 1.630 57.431 55.803 -0.005 0.000 0.862 479 Q CB -0.236 28.494 28.738 -0.015 0.000 0.905 479 Q HN 0.552 nan 8.270 nan 0.000 0.429 480 D N -0.106 120.277 120.400 -0.029 0.000 2.263 480 D HA -0.126 4.517 4.640 0.006 0.000 0.208 480 D C 0.672 176.801 176.300 -0.285 0.000 0.971 480 D CA 1.016 54.912 54.000 -0.174 0.000 0.867 480 D CB -0.038 40.598 40.800 -0.273 0.000 0.929 480 D HN 0.250 nan 8.370 nan 0.000 0.492 481 F N 0.030 119.949 119.950 -0.052 0.000 2.645 481 F HA 0.278 4.808 4.527 0.006 0.000 0.300 481 F C 2.237 178.012 175.800 -0.042 0.000 1.115 481 F CA -0.411 57.562 58.000 -0.045 0.000 1.355 481 F CB -0.076 38.902 39.000 -0.036 0.000 1.026 481 F HN -0.122 nan 8.300 nan 0.000 0.536 482 G N 0.715 109.559 108.800 0.073 0.000 2.503 482 G HA2 -0.352 3.611 3.960 0.006 0.000 0.221 482 G HA3 -0.352 3.611 3.960 0.006 0.000 0.221 482 G C 1.954 176.871 174.900 0.028 0.000 1.131 482 G CA 1.081 46.202 45.100 0.035 0.000 0.756 482 G HN 0.446 nan 8.290 nan 0.000 0.572 483 A N 0.284 123.114 122.820 0.018 0.000 1.933 483 A HA 0.085 4.408 4.320 0.006 0.000 0.218 483 A C 2.252 179.856 177.584 0.033 0.000 1.175 483 A CA 1.250 53.294 52.037 0.010 0.000 0.628 483 A CB -0.257 18.738 19.000 -0.009 0.000 0.814 483 A HN 0.311 nan 8.150 nan 0.000 0.444 484 L N -0.447 120.819 121.223 0.071 0.000 2.376 484 L HA 0.034 4.378 4.340 0.006 0.000 0.219 484 L C 2.048 178.989 176.870 0.119 0.000 1.133 484 L CA 1.094 55.991 54.840 0.095 0.000 0.816 484 L CB -1.016 41.123 42.059 0.133 0.000 0.933 484 L HN 0.428 nan 8.230 nan 0.000 0.449 485 L N -0.984 120.293 121.223 0.089 0.000 2.418 485 L HA 0.009 4.352 4.340 0.006 0.000 0.218 485 L C 0.941 177.804 176.870 -0.010 0.000 1.125 485 L CA 0.104 54.977 54.840 0.057 0.000 0.835 485 L CB -0.020 42.041 42.059 0.002 0.000 0.953 485 L HN 0.261 nan 8.230 nan 0.000 0.454 486 E N 0.637 120.838 120.200 0.002 0.000 2.312 486 E HA 0.113 4.466 4.350 0.006 0.000 0.259 486 E C -0.176 176.417 176.600 -0.012 0.000 1.122 486 E CA -0.596 55.791 56.400 -0.021 0.000 0.922 486 E CB 0.813 30.505 29.700 -0.014 0.000 1.109 486 E HN 0.064 nan 8.360 nan 0.000 0.442 487 E N 1.290 121.474 120.200 -0.026 0.000 2.376 487 E HA -0.077 4.277 4.350 0.006 0.000 0.266 487 E C -0.558 176.022 176.600 -0.033 0.000 1.009 487 E CA -0.303 56.073 56.400 -0.040 0.000 0.902 487 E CB 0.555 30.257 29.700 0.002 0.000 0.972 487 E HN 0.203 nan 8.360 nan 0.000 0.439 488 Q N 2.373 122.129 119.800 -0.074 0.000 2.259 488 Q HA 0.118 4.462 4.340 0.006 0.000 0.246 488 Q C 0.668 176.664 176.000 -0.007 0.000 0.920 488 Q CA -0.126 55.653 55.803 -0.040 0.000 0.895 488 Q CB 1.840 30.547 28.738 -0.052 0.000 1.220 488 Q HN 0.610 nan 8.270 nan 0.000 0.439 489 S N 1.909 117.616 115.700 0.011 0.000 2.343 489 S HA -0.068 4.405 4.470 0.006 0.000 0.212 489 S C 0.454 175.083 174.600 0.048 0.000 1.033 489 S CA 1.093 59.312 58.200 0.033 0.000 1.004 489 S CB 0.015 63.226 63.200 0.019 0.000 0.977 489 S HN 0.402 nan 8.310 nan 0.000 0.427 490 K N 1.789 122.206 120.400 0.028 0.000 2.126 490 K HA 0.249 4.572 4.320 0.006 0.000 0.257 490 K C -0.250 176.370 176.600 0.033 0.000 1.007 490 K CA -0.108 56.199 56.287 0.033 0.000 0.928 490 K CB 0.453 32.962 32.500 0.014 0.000 1.013 490 K HN 0.307 nan 8.250 nan 0.000 0.473 491 E N 2.431 122.660 120.200 0.049 0.000 2.290 491 E HA 0.154 4.507 4.350 0.006 0.000 0.277 491 E C 0.003 176.593 176.600 -0.017 0.000 1.035 491 E CA -0.041 56.385 56.400 0.044 0.000 0.873 491 E CB 0.499 30.250 29.700 0.086 0.000 1.029 491 E HN 0.395 nan 8.360 nan 0.000 0.419 492 I N -1.446 119.081 120.570 -0.072 0.000 3.457 492 I HA 0.571 4.744 4.170 0.006 0.000 0.307 492 I C -0.146 175.841 176.117 -0.216 0.000 1.138 492 I CA -1.041 60.198 61.300 -0.101 0.000 0.974 492 I CB 1.954 39.913 38.000 -0.068 0.000 1.324 492 I HN 0.412 nan 8.210 nan 0.000 0.485 493 S N -0.926 114.664 115.700 -0.182 0.000 2.726 493 S HA 0.409 4.883 4.470 0.006 0.000 0.308 493 S C 0.779 175.297 174.600 -0.137 0.000 1.115 493 S CA 0.158 58.210 58.200 -0.245 0.000 0.965 493 S CB 1.267 64.380 63.200 -0.145 0.000 1.145 493 S HN 0.864 nan 8.310 nan 0.000 0.532 494 T N -2.176 112.316 114.554 -0.103 0.000 2.995 494 T HA -0.027 4.326 4.350 0.006 0.000 0.269 494 T C 1.549 176.275 174.700 0.043 0.000 1.091 494 T CA 1.517 63.610 62.100 -0.012 0.000 1.128 494 T CB -1.139 67.738 68.868 0.014 0.000 0.891 494 T HN 0.605 nan 8.240 nan 0.000 0.492 495 T N 2.003 116.580 114.554 0.039 0.000 2.857 495 T HA 0.209 4.562 4.350 0.006 0.000 0.266 495 T C 1.857 176.641 174.700 0.141 0.000 1.048 495 T CA 0.810 62.980 62.100 0.117 0.000 1.139 495 T CB -0.344 68.590 68.868 0.111 0.000 0.874 495 T HN 0.376 nan 8.240 nan 0.000 0.455 496 I N 1.402 122.001 120.570 0.048 0.000 2.315 496 I HA -0.152 4.021 4.170 0.006 0.000 0.248 496 I C 2.882 178.996 176.117 -0.005 0.000 1.117 496 I CA 0.911 62.217 61.300 0.009 0.000 1.404 496 I CB -0.428 37.557 38.000 -0.025 0.000 1.071 496 I HN 0.183 nan 8.210 nan 0.000 0.419 497 A N 1.057 123.885 122.820 0.013 0.000 1.883 497 A HA -0.291 4.032 4.320 0.006 0.000 0.217 497 A C 2.246 179.838 177.584 0.013 0.000 1.186 497 A CA 1.836 53.882 52.037 0.015 0.000 0.624 497 A CB -1.082 17.936 19.000 0.031 0.000 0.822 497 A HN 0.500 nan 8.150 nan 0.000 0.444 498 F N 1.060 120.979 119.950 -0.051 0.000 2.095 498 F HA -0.177 4.354 4.527 0.006 0.000 0.298 498 F C 2.090 177.832 175.800 -0.098 0.000 1.104 498 F CA 2.125 60.081 58.000 -0.073 0.000 1.232 498 F CB -0.665 38.292 39.000 -0.072 0.000 0.987 498 F HN 0.011 nan 8.300 nan 0.000 0.475 499 V N 1.197 120.796 119.914 -0.526 0.000 2.407 499 V HA -0.270 3.854 4.120 0.006 0.000 0.248 499 V C 2.541 178.391 176.094 -0.406 0.000 1.055 499 V CA 2.256 64.199 62.300 -0.595 0.000 1.049 499 V CB -0.762 30.920 31.823 -0.235 0.000 0.662 499 V HN 0.327 nan 8.190 nan 0.000 0.455 500 R N 0.004 120.361 120.500 -0.238 0.000 2.115 500 R HA -0.013 4.330 4.340 0.006 0.000 0.226 500 R C 2.430 178.650 176.300 -0.134 0.000 1.100 500 R CA 1.233 57.241 56.100 -0.153 0.000 0.980 500 R CB -0.478 29.776 30.300 -0.077 0.000 0.875 500 R HN 0.530 nan 8.270 nan 0.000 0.445 501 A N 1.364 124.109 122.820 -0.125 0.000 1.898 501 A HA -0.114 4.209 4.320 0.006 0.000 0.216 501 A C 2.147 179.676 177.584 -0.092 0.000 1.181 501 A CA 1.055 53.128 52.037 0.059 0.000 0.620 501 A CB -0.492 18.519 19.000 0.018 0.000 0.819 501 A HN 0.156 nan 8.150 nan 0.000 0.442 502 L N -0.267 120.688 121.223 -0.446 0.000 2.042 502 L HA -0.232 4.111 4.340 0.006 0.000 0.210 502 L C 2.455 179.129 176.870 -0.327 0.000 1.076 502 L CA 1.385 55.890 54.840 -0.558 0.000 0.749 502 L CB -0.719 40.861 42.059 -0.798 0.000 0.893 502 L HN 0.421 nan 8.230 nan 0.000 0.432 503 N N -0.085 118.452 118.700 -0.272 0.000 2.149 503 N HA -0.157 4.587 4.740 0.006 0.000 0.188 503 N C 1.860 177.258 175.510 -0.186 0.000 1.019 503 N CA 1.347 54.280 53.050 -0.194 0.000 0.857 503 N CB -0.135 38.255 38.487 -0.162 0.000 0.997 503 N HN 0.124 nan 8.380 nan 0.000 0.426 504 V N 1.774 121.556 119.914 -0.220 0.000 2.343 504 V HA -0.207 3.916 4.120 0.006 0.000 0.247 504 V C 2.374 178.284 176.094 -0.306 0.000 1.051 504 V CA 1.343 63.444 62.300 -0.332 0.000 1.036 504 V CB -0.365 31.082 31.823 -0.627 0.000 0.654 504 V HN 0.306 nan 8.190 nan 0.000 0.451 505 M N -0.866 118.604 119.600 -0.216 0.000 2.159 505 M HA -0.129 4.354 4.480 0.006 0.000 0.263 505 M C 1.985 178.230 176.300 -0.091 0.000 1.063 505 M CA 1.742 56.977 55.300 -0.108 0.000 1.110 505 M CB -0.400 32.176 32.600 -0.041 0.000 1.374 505 M HN 0.261 nan 8.290 nan 0.000 0.411 506 L N -0.225 120.930 121.223 -0.113 0.000 2.622 506 L HA -0.126 4.217 4.340 0.006 0.000 0.233 506 L C 1.870 178.698 176.870 -0.071 0.000 1.156 506 L CA 0.789 55.583 54.840 -0.077 0.000 0.866 506 L CB -0.323 41.687 42.059 -0.081 0.000 0.980 506 L HN 0.252 nan 8.230 nan 0.000 0.448 507 K N -0.838 119.504 120.400 -0.096 0.000 2.361 507 K HA 0.049 4.372 4.320 0.006 0.000 0.194 507 K C 0.740 177.296 176.600 -0.072 0.000 1.032 507 K CA -0.193 56.043 56.287 -0.086 0.000 1.048 507 K CB 0.220 32.654 32.500 -0.110 0.000 0.842 507 K HN 0.161 nan 8.250 nan 0.000 0.526 508 N N 2.054 120.712 118.700 -0.070 0.000 2.442 508 N HA -0.012 4.732 4.740 0.006 0.000 0.265 508 N C 0.232 175.729 175.510 -0.021 0.000 1.138 508 N CA 0.253 53.277 53.050 -0.042 0.000 0.956 508 N CB 0.852 39.323 38.487 -0.027 0.000 1.067 508 N HN 0.034 nan 8.380 nan 0.000 0.474 509 K N 1.609 122.001 120.400 -0.014 0.000 2.057 509 K HA -0.135 4.189 4.320 0.006 0.000 0.207 509 K C 1.855 178.456 176.600 0.002 0.000 1.049 509 K CA 1.130 57.413 56.287 -0.007 0.000 0.931 509 K CB -0.091 32.407 32.500 -0.004 0.000 0.714 509 K HN 0.444 nan 8.250 nan 0.000 0.440 510 S N 1.265 116.972 115.700 0.012 0.000 2.355 510 S HA -0.085 4.389 4.470 0.006 0.000 0.222 510 S C 1.819 176.426 174.600 0.013 0.000 1.031 510 S CA 1.331 59.543 58.200 0.020 0.000 0.993 510 S CB -0.077 63.146 63.200 0.038 0.000 0.859 510 S HN 0.422 nan 8.310 nan 0.000 0.453 511 I N -0.829 119.750 120.570 0.015 0.000 4.018 511 I HA 0.287 4.460 4.170 0.006 0.000 0.337 511 I C 1.746 177.871 176.117 0.013 0.000 1.327 511 I CA -0.070 61.235 61.300 0.009 0.000 1.100 511 I CB -0.195 37.819 38.000 0.022 0.000 1.025 511 I HN 0.160 nan 8.210 nan 0.000 0.396 512 K N 1.432 121.836 120.400 0.005 0.000 2.059 512 K HA -0.229 4.094 4.320 0.006 0.000 0.212 512 K C 0.857 177.467 176.600 0.017 0.000 1.050 512 K CA 2.319 58.608 56.287 0.003 0.000 0.927 512 K CB -0.577 31.916 32.500 -0.011 0.000 0.714 512 K HN 0.368 nan 8.250 nan 0.000 0.447 513 D N 0.017 120.422 120.400 0.009 0.000 2.349 513 D HA 0.016 4.659 4.640 0.006 0.000 0.215 513 D C 1.497 177.812 176.300 0.024 0.000 1.016 513 D CA 0.231 54.236 54.000 0.009 0.000 0.870 513 D CB 0.256 41.045 40.800 -0.018 0.000 0.917 513 D HN 0.212 nan 8.370 nan 0.000 0.524 514 R N 0.299 120.814 120.500 0.025 0.000 2.297 514 R HA 0.177 4.520 4.340 0.006 0.000 0.197 514 R C 0.844 177.192 176.300 0.080 0.000 0.943 514 R CA -0.049 56.067 56.100 0.027 0.000 1.038 514 R CB -0.029 30.243 30.300 -0.045 0.000 0.957 514 R HN 0.213 nan 8.270 nan 0.000 0.484 515 L N 1.319 122.613 121.223 0.118 0.000 2.380 515 L HA 0.203 4.547 4.340 0.006 0.000 0.273 515 L C 0.108 177.137 176.870 0.265 0.000 1.138 515 L CA -0.347 54.620 54.840 0.212 0.000 0.832 515 L CB 0.995 43.170 42.059 0.193 0.000 1.124 515 L HN -0.288 nan 8.230 nan 0.000 0.454 516 V N 3.464 123.575 119.914 0.327 0.000 2.320 516 V HA 0.251 4.375 4.120 0.006 0.000 0.268 516 V C -2.319 173.993 176.094 0.363 0.000 1.021 516 V CA -1.535 60.954 62.300 0.316 0.000 0.813 516 V CB 1.054 33.031 31.823 0.257 0.000 1.054 516 V HN 0.610 nan 8.190 nan 0.000 0.444 517 P HA 0.385 nan 4.420 nan 0.000 0.276 517 P C -0.518 176.989 177.300 0.344 0.000 1.235 517 P CA 0.241 63.566 63.100 0.375 0.000 0.772 517 P CB 0.723 32.591 31.700 0.281 0.000 0.871 518 I N 4.824 125.633 120.570 0.399 0.000 2.466 518 I HA 0.482 4.656 4.170 0.006 0.000 0.289 518 I C 0.215 176.599 176.117 0.446 0.000 1.026 518 I CA -0.901 60.602 61.300 0.338 0.000 1.078 518 I CB 1.480 39.628 38.000 0.247 0.000 1.249 518 I HN 0.238 nan 8.210 nan 0.000 0.429 519 I N 2.182 122.977 120.570 0.376 0.000 2.828 519 I HA 0.867 5.040 4.170 0.006 0.000 0.302 519 I C -0.479 175.869 176.117 0.385 0.000 1.101 519 I CA -0.910 60.651 61.300 0.435 0.000 1.031 519 I CB 2.368 40.619 38.000 0.418 0.000 1.231 519 I HN 0.542 nan 8.210 nan 0.000 0.427 520 A N 3.260 126.355 122.820 0.459 0.000 2.690 520 A HA 0.505 4.829 4.320 0.006 0.000 0.342 520 A C 0.293 178.078 177.584 0.335 0.000 1.410 520 A CA 0.158 52.409 52.037 0.357 0.000 0.958 520 A CB -0.188 19.060 19.000 0.413 0.000 1.153 520 A HN 1.039 nan 8.150 nan 0.000 0.497 521 D N 1.063 121.623 120.400 0.267 0.000 4.520 521 D HA -0.225 4.419 4.640 0.006 0.000 0.212 521 D C 0.224 176.703 176.300 0.299 0.000 0.773 521 D CA 2.299 56.441 54.000 0.238 0.000 1.822 521 D CB -1.138 39.782 40.800 0.200 0.000 1.073 521 D HN 0.541 nan 8.370 nan 0.000 0.411 522 E N 1.284 121.687 120.200 0.338 0.000 3.111 522 E HA 0.188 4.541 4.350 0.006 0.000 0.230 522 E C 0.592 177.417 176.600 0.375 0.000 1.035 522 E CA 0.931 57.524 56.400 0.322 0.000 0.944 522 E CB -0.048 29.897 29.700 0.407 0.000 0.919 522 E HN 0.483 nan 8.360 nan 0.000 0.554 523 A N 4.779 127.771 122.820 0.286 0.000 1.995 523 A HA 0.059 4.382 4.320 0.006 0.000 0.200 523 A C 1.890 179.531 177.584 0.096 0.000 1.566 523 A CA 0.015 52.233 52.037 0.301 0.000 0.895 523 A CB 0.170 19.491 19.000 0.536 0.000 1.046 523 A HN 0.412 nan 8.150 nan 0.000 0.523 524 R N -0.028 120.507 120.500 0.057 0.000 2.127 524 R HA -0.095 4.249 4.340 0.006 0.000 0.238 524 R C 1.728 177.954 176.300 -0.122 0.000 1.134 524 R CA 1.765 57.850 56.100 -0.025 0.000 0.975 524 R CB -0.639 29.667 30.300 0.011 0.000 0.865 524 R HN 0.442 nan 8.270 nan 0.000 0.447 525 T N 0.113 114.514 114.554 -0.256 0.000 3.051 525 T HA -0.071 4.283 4.350 0.006 0.000 0.269 525 T C 0.356 174.599 174.700 -0.762 0.000 1.127 525 T CA 0.991 62.760 62.100 -0.551 0.000 1.107 525 T CB -0.025 68.360 68.868 -0.806 0.000 0.898 525 T HN 0.115 nan 8.240 nan 0.000 0.517 526 F N -0.388 119.531 119.950 -0.052 0.000 2.775 526 F HA 0.441 4.972 4.527 0.005 0.000 0.313 526 F C 1.478 177.261 175.800 -0.028 0.000 1.121 526 F CA -1.047 56.923 58.000 -0.050 0.000 1.206 526 F CB -0.044 38.934 39.000 -0.036 0.000 1.052 526 F HN 0.078 nan 8.300 nan 0.000 0.524 527 G N 0.786 109.611 108.800 0.041 0.000 2.225 527 G HA2 -0.315 3.648 3.960 0.006 0.000 0.267 527 G HA3 -0.315 3.648 3.960 0.006 0.000 0.267 527 G C 1.013 175.878 174.900 -0.058 0.000 1.024 527 G CA 0.644 45.736 45.100 -0.013 0.000 0.784 527 G HN 0.198 nan 8.290 nan 0.000 0.507 528 M N 0.228 119.779 119.600 -0.082 0.000 2.509 528 M HA 0.069 4.552 4.480 0.006 0.000 0.250 528 M C 2.352 178.246 176.300 -0.678 0.000 1.132 528 M CA 1.255 56.426 55.300 -0.214 0.000 1.080 528 M CB -0.368 32.210 32.600 -0.037 0.000 1.408 528 M HN 0.555 nan 8.290 nan 0.000 0.484 529 E N 0.547 120.329 120.200 -0.697 0.000 2.273 529 E HA -0.155 4.199 4.350 0.006 0.000 0.198 529 E C 1.675 177.933 176.600 -0.570 0.000 1.002 529 E CA 1.800 57.625 56.400 -0.960 0.000 0.828 529 E CB -0.950 28.577 29.700 -0.288 0.000 0.747 529 E HN 0.456 nan 8.360 nan 0.000 0.491 530 G N 1.009 109.607 108.800 -0.337 0.000 2.511 530 G HA2 -0.031 3.932 3.960 0.006 0.000 0.217 530 G HA3 -0.031 3.932 3.960 0.006 0.000 0.217 530 G C 1.741 176.567 174.900 -0.124 0.000 1.133 530 G CA 0.310 45.311 45.100 -0.164 0.000 0.792 530 G HN 0.243 nan 8.290 nan 0.000 0.539 531 L N -0.275 120.838 121.223 -0.184 0.000 2.240 531 L HA 0.095 4.438 4.340 0.006 0.000 0.211 531 L C 2.468 179.414 176.870 0.127 0.000 1.106 531 L CA 0.051 54.865 54.840 -0.044 0.000 0.793 531 L CB -0.414 41.623 42.059 -0.038 0.000 0.927 531 L HN 0.040 nan 8.230 nan 0.000 0.446 532 F N 1.078 121.056 119.950 0.047 0.000 2.008 532 F HA -0.267 4.264 4.527 0.006 0.000 0.297 532 F C 2.751 178.575 175.800 0.039 0.000 1.156 532 F CA 1.275 59.308 58.000 0.054 0.000 1.191 532 F CB -1.299 37.734 39.000 0.055 0.000 0.955 532 F HN -0.027 nan 8.300 nan 0.000 0.497 533 R N -0.120 120.537 120.500 0.262 0.000 2.140 533 R HA -0.278 4.065 4.340 0.006 0.000 0.250 533 R C 2.192 178.549 176.300 0.095 0.000 1.150 533 R CA 2.077 58.259 56.100 0.137 0.000 0.966 533 R CB -0.684 29.670 30.300 0.090 0.000 0.869 533 R HN 0.503 nan 8.270 nan 0.000 0.445 534 Q N 0.448 120.299 119.800 0.085 0.000 2.020 534 Q HA -0.087 4.256 4.340 0.006 0.000 0.198 534 Q C 1.938 177.975 176.000 0.062 0.000 0.974 534 Q CA 1.557 57.392 55.803 0.053 0.000 0.829 534 Q CB 0.217 28.969 28.738 0.023 0.000 0.894 534 Q HN 0.525 nan 8.270 nan 0.000 0.433 535 I N -3.921 116.706 120.570 0.094 0.000 4.082 535 I HA 0.448 4.621 4.170 0.006 0.000 0.337 535 I C 0.697 176.888 176.117 0.124 0.000 1.352 535 I CA 0.114 61.471 61.300 0.095 0.000 1.097 535 I CB 0.472 38.530 38.000 0.097 0.000 1.048 535 I HN 0.181 nan 8.210 nan 0.000 0.393 536 G N 2.642 111.529 108.800 0.144 0.000 2.880 536 G HA2 -0.201 3.762 3.960 0.006 0.000 0.617 536 G HA3 -0.201 3.762 3.960 0.006 0.000 0.617 536 G C -0.776 174.212 174.900 0.147 0.000 1.493 536 G CA -0.372 44.803 45.100 0.126 0.000 0.916 536 G HN 0.349 nan 8.290 nan 0.000 0.553 537 I N 0.463 121.077 120.570 0.073 0.000 2.377 537 I HA 0.303 4.476 4.170 0.006 0.000 0.293 537 I C 0.239 176.445 176.117 0.147 0.000 0.987 537 I CA -0.928 60.420 61.300 0.079 0.000 1.185 537 I CB 1.719 39.652 38.000 -0.112 0.000 1.341 537 I HN 0.587 nan 8.210 nan 0.000 0.455 538 Y N 5.978 126.345 120.300 0.112 0.000 2.650 538 Y HA 0.171 4.724 4.550 0.005 0.000 0.331 538 Y C 0.277 176.218 175.900 0.069 0.000 1.165 538 Y CA 0.179 58.364 58.100 0.143 0.000 1.473 538 Y CB 0.508 39.148 38.460 0.301 0.000 1.224 538 Y HN 0.489 nan 8.280 nan 0.000 0.533 539 S N 9.132 124.579 115.700 -0.422 0.000 2.357 539 S HA 0.352 4.825 4.470 0.006 0.000 0.209 539 S C -2.989 171.340 174.600 -0.452 0.000 0.981 539 S CA -1.100 56.834 58.200 -0.444 0.000 1.106 539 S CB 0.507 63.580 63.200 -0.211 0.000 1.266 539 S HN 0.599 nan 8.310 nan 0.000 0.410 559 D N -0.682 119.691 120.400 -0.045 0.000 2.837 559 D HA 0.077 4.721 4.640 0.006 0.000 0.294 559 D C 0.873 177.123 176.300 -0.083 0.000 1.158 559 D CA -0.625 53.327 54.000 -0.081 0.000 1.073 559 D CB 0.119 40.883 40.800 -0.060 0.000 1.419 559 D HN 0.023 nan 8.370 nan 0.000 0.584 560 E N -0.199 119.924 120.200 -0.128 0.000 2.516 560 E HA -0.107 4.246 4.350 0.006 0.000 0.199 560 E C 0.378 177.046 176.600 0.113 0.000 1.069 560 E CA 0.627 56.961 56.400 -0.111 0.000 0.876 560 E CB -0.004 29.451 29.700 -0.409 0.000 0.843 560 E HN 0.328 nan 8.360 nan 0.000 0.530 561 K N 0.742 121.180 120.400 0.063 0.000 2.367 561 K HA 0.155 4.479 4.320 0.006 0.000 0.194 561 K C 0.879 177.533 176.600 0.090 0.000 1.027 561 K CA 0.495 56.811 56.287 0.049 0.000 1.075 561 K CB 0.472 32.978 32.500 0.011 0.000 0.845 561 K HN 0.105 nan 8.250 nan 0.000 0.529 562 G N 1.664 110.566 108.800 0.170 0.000 2.353 562 G HA2 -0.120 3.844 3.960 0.006 0.000 0.239 562 G HA3 -0.120 3.844 3.960 0.006 0.000 0.239 562 G C 0.529 175.601 174.900 0.287 0.000 1.295 562 G CA -0.099 45.126 45.100 0.208 0.000 0.884 562 G HN 0.238 nan 8.290 nan 0.000 0.537 563 Q N 1.575 121.520 119.800 0.241 0.000 2.297 563 Q HA 0.125 4.468 4.340 0.006 0.000 0.203 563 Q C 0.997 177.221 176.000 0.373 0.000 0.931 563 Q CA 0.058 56.037 55.803 0.294 0.000 0.885 563 Q CB 0.059 28.911 28.738 0.190 0.000 0.991 563 Q HN 0.658 nan 8.270 nan 0.000 0.498 564 I N 2.378 123.134 120.570 0.310 0.000 2.496 564 I HA 0.027 4.200 4.170 0.006 0.000 0.285 564 I C -0.440 175.845 176.117 0.279 0.000 1.080 564 I CA -0.124 61.353 61.300 0.296 0.000 1.404 564 I CB 0.816 39.011 38.000 0.325 0.000 1.403 564 I HN 0.157 nan 8.210 nan 0.000 0.539 565 L N 6.655 128.008 121.223 0.217 0.000 2.260 565 L HA 0.269 4.612 4.340 0.006 0.000 0.289 565 L C -0.106 176.881 176.870 0.196 0.000 1.057 565 L CA -0.456 54.492 54.840 0.180 0.000 0.811 565 L CB 0.919 43.014 42.059 0.060 0.000 1.184 565 L HN 0.550 nan 8.230 nan 0.000 0.429 566 Q N 3.068 122.977 119.800 0.182 0.000 2.400 566 Q HA 0.166 4.510 4.340 0.006 0.000 0.255 566 Q C -0.062 176.023 176.000 0.141 0.000 1.008 566 Q CA -0.058 55.840 55.803 0.159 0.000 0.841 566 Q CB 1.146 29.938 28.738 0.092 0.000 1.220 566 Q HN 0.407 nan 8.270 nan 0.000 0.474 567 E N 3.176 123.460 120.200 0.141 0.000 2.476 567 E HA 0.246 4.599 4.350 0.006 0.000 0.196 567 E C 0.582 177.249 176.600 0.112 0.000 1.029 567 E CA 0.475 56.949 56.400 0.124 0.000 0.896 567 E CB 0.388 30.123 29.700 0.059 0.000 1.012 567 E HN 0.926 nan 8.360 nan 0.000 0.475 568 G N 1.940 110.813 108.800 0.121 0.000 2.642 568 G HA2 -0.296 3.667 3.960 0.006 0.000 0.231 568 G HA3 -0.296 3.667 3.960 0.006 0.000 0.231 568 G C -0.002 174.967 174.900 0.115 0.000 1.338 568 G CA -0.326 44.838 45.100 0.108 0.000 0.883 568 G HN 0.217 nan 8.290 nan 0.000 0.570 569 I N 2.157 122.778 120.570 0.085 0.000 2.227 569 I HA 0.285 4.459 4.170 0.006 0.000 0.297 569 I C 0.408 176.543 176.117 0.030 0.000 1.173 569 I CA 0.008 61.348 61.300 0.066 0.000 1.356 569 I CB -0.078 37.943 38.000 0.035 0.000 1.485 569 I HN 0.401 nan 8.210 nan 0.000 0.604 570 N N 3.877 122.599 118.700 0.037 0.000 2.827 570 N HA 0.297 5.040 4.740 0.006 0.000 0.240 570 N C 0.335 175.822 175.510 -0.037 0.000 1.352 570 N CA -0.106 52.939 53.050 -0.009 0.000 0.760 570 N CB 1.389 39.880 38.487 0.006 0.000 1.426 570 N HN 0.427 nan 8.380 nan 0.000 0.561 571 A N 1.980 124.785 122.820 -0.025 0.000 1.902 571 A HA -0.110 4.213 4.320 0.006 0.000 0.217 571 A C 1.833 179.337 177.584 -0.133 0.000 1.181 571 A CA 1.071 53.102 52.037 -0.010 0.000 0.623 571 A CB -0.302 18.700 19.000 0.004 0.000 0.818 571 A HN 0.508 nan 8.150 nan 0.000 0.443 572 L N 0.122 121.261 121.223 -0.140 0.000 2.046 572 L HA -0.012 4.331 4.340 0.006 0.000 0.208 572 L C 2.431 179.110 176.870 -0.318 0.000 1.077 572 L CA 2.230 56.966 54.840 -0.173 0.000 0.747 572 L CB -1.111 40.887 42.059 -0.101 0.000 0.896 572 L HN 0.317 nan 8.230 nan 0.000 0.432 573 G N -1.185 107.383 108.800 -0.387 0.000 2.418 573 G HA2 -0.257 3.706 3.960 0.006 0.000 0.217 573 G HA3 -0.257 3.706 3.960 0.006 0.000 0.217 573 G C 1.610 175.956 174.900 -0.924 0.000 1.158 573 G CA 0.833 45.393 45.100 -0.900 0.000 0.771 573 G HN 0.616 nan 8.290 nan 0.000 0.545 574 A N 0.908 123.388 122.820 -0.565 0.000 1.902 574 A HA 0.145 4.469 4.320 0.006 0.000 0.217 574 A C 2.722 179.845 177.584 -0.768 0.000 1.181 574 A CA 2.113 53.745 52.037 -0.675 0.000 0.623 574 A CB -1.113 17.375 19.000 -0.853 0.000 0.818 574 A HN 0.547 nan 8.150 nan 0.000 0.443 575 G N -0.908 107.520 108.800 -0.621 0.000 2.440 575 G HA2 -0.287 3.677 3.960 0.006 0.000 0.218 575 G HA3 -0.287 3.677 3.960 0.006 0.000 0.218 575 G C 1.578 176.392 174.900 -0.143 0.000 1.154 575 G CA 1.343 46.242 45.100 -0.336 0.000 0.767 575 G HN 0.525 nan 8.290 nan 0.000 0.552 576 C N 0.356 119.497 119.300 -0.266 0.000 2.440 576 C HA 0.044 4.508 4.460 0.006 0.000 0.278 576 C C 3.387 178.329 174.990 -0.080 0.000 1.295 576 C CA 1.135 60.067 59.018 -0.144 0.000 1.738 576 C CB -0.808 26.823 27.740 -0.182 0.000 1.987 576 C HN 0.408 nan 8.230 nan 0.000 0.492 577 S N -0.681 114.912 115.700 -0.178 0.000 2.355 577 S HA -0.211 4.262 4.470 0.006 0.000 0.222 577 S C 1.440 175.950 174.600 -0.150 0.000 1.031 577 S CA 1.476 59.641 58.200 -0.058 0.000 0.993 577 S CB -0.419 62.760 63.200 -0.035 0.000 0.859 577 S HN 0.822 nan 8.310 nan 0.000 0.453 578 W N 2.197 123.322 121.300 -0.291 0.000 2.335 578 W HA -0.164 4.499 4.660 0.005 0.000 0.311 578 W C 1.861 178.253 176.519 -0.211 0.000 1.213 578 W CA 1.214 58.424 57.345 -0.225 0.000 1.274 578 W CB -0.633 28.711 29.460 -0.193 0.000 1.148 578 W HN 0.267 nan 8.180 nan 0.000 0.498 579 L N 1.690 122.869 121.223 -0.074 0.000 2.046 579 L HA -0.055 4.288 4.340 0.006 0.000 0.208 579 L C 2.438 179.117 176.870 -0.319 0.000 1.077 579 L CA 2.807 57.513 54.840 -0.224 0.000 0.747 579 L CB -1.548 40.545 42.059 0.057 0.000 0.896 579 L HN 0.091 nan 8.230 nan 0.000 0.432 580 A N -0.505 122.144 122.820 -0.286 0.000 1.902 580 A HA -0.103 4.220 4.320 0.006 0.000 0.217 580 A C 2.446 179.578 177.584 -0.754 0.000 1.181 580 A CA 1.953 53.775 52.037 -0.359 0.000 0.623 580 A CB -1.180 17.655 19.000 -0.275 0.000 0.818 580 A HN 0.581 nan 8.150 nan 0.000 0.443 581 A N -0.294 121.869 122.820 -1.095 0.000 1.898 581 A HA 0.246 4.570 4.320 0.006 0.000 0.216 581 A C 2.382 179.667 177.584 -0.498 0.000 1.181 581 A CA 1.771 53.178 52.037 -1.050 0.000 0.620 581 A CB -0.911 17.637 19.000 -0.753 0.000 0.819 581 A HN 1.115 nan 8.150 nan 0.000 0.442 582 A N -0.514 121.936 122.820 -0.616 0.000 2.216 582 A HA 0.099 4.423 4.320 0.006 0.000 0.214 582 A C 1.813 179.327 177.584 -0.116 0.000 1.160 582 A CA 1.891 53.645 52.037 -0.472 0.000 0.725 582 A CB -0.763 17.551 19.000 -1.144 0.000 0.784 582 A HN 0.792 nan 8.150 nan 0.000 0.472 583 T N -5.057 109.384 114.554 -0.188 0.000 3.145 583 T HA 0.195 4.548 4.350 0.006 0.000 0.281 583 T C 1.362 175.904 174.700 -0.264 0.000 1.003 583 T CA 0.679 62.645 62.100 -0.222 0.000 0.901 583 T CB 0.056 68.817 68.868 -0.178 0.000 1.112 583 T HN 0.161 nan 8.240 nan 0.000 0.535 584 S N 1.428 117.069 115.700 -0.098 0.000 2.423 584 S HA -0.123 4.350 4.470 0.006 0.000 0.231 584 S C 1.881 176.496 174.600 0.026 0.000 1.014 584 S CA 1.224 59.440 58.200 0.026 0.000 0.965 584 S CB -0.649 62.662 63.200 0.185 0.000 0.785 584 S HN 0.808 nan 8.310 nan 0.000 0.495 585 Y N 0.903 121.267 120.300 0.106 0.000 2.256 585 Y HA 0.060 4.614 4.550 0.006 0.000 0.288 585 Y C 2.520 178.533 175.900 0.189 0.000 1.155 585 Y CA 1.447 59.640 58.100 0.156 0.000 1.203 585 Y CB -1.091 37.521 38.460 0.254 0.000 0.980 585 Y HN 0.310 nan 8.280 nan 0.000 0.530 586 S N -0.038 115.211 115.700 -0.752 0.000 2.398 586 S HA -0.124 4.350 4.470 0.006 0.000 0.220 586 S C 2.153 176.633 174.600 -0.201 0.000 1.046 586 S CA 1.271 59.181 58.200 -0.484 0.000 0.953 586 S CB -1.112 61.650 63.200 -0.730 0.000 0.856 586 S HN 0.733 nan 8.310 nan 0.000 0.506 587 T N 0.119 114.561 114.554 -0.186 0.000 2.915 587 T HA 0.082 4.435 4.350 0.006 0.000 0.269 587 T C 1.207 175.917 174.700 0.017 0.000 1.071 587 T CA 1.235 63.301 62.100 -0.056 0.000 1.132 587 T CB -0.361 68.532 68.868 0.043 0.000 0.878 587 T HN 0.426 nan 8.240 nan 0.000 0.479 588 N N 0.895 119.616 118.700 0.035 0.000 2.159 588 N HA 0.111 4.854 4.740 0.006 0.000 0.217 588 N C 0.214 175.765 175.510 0.068 0.000 1.223 588 N CA 0.185 53.270 53.050 0.059 0.000 0.896 588 N CB 0.122 38.661 38.487 0.087 0.000 1.064 588 N HN 0.404 nan 8.380 nan 0.000 0.518 589 N N 0.796 119.548 118.700 0.086 0.000 2.721 589 N HA -0.214 4.530 4.740 0.006 0.000 0.249 589 N C -1.255 174.342 175.510 0.145 0.000 1.072 589 N CA 0.288 53.428 53.050 0.151 0.000 0.710 589 N CB -1.262 37.301 38.487 0.126 0.000 0.993 589 N HN 0.299 nan 8.380 nan 0.000 0.547 590 L N 0.490 121.786 121.223 0.121 0.000 2.442 590 L HA 0.571 4.915 4.340 0.006 0.000 0.261 590 L C -2.406 174.502 176.870 0.063 0.000 1.000 590 L CA -1.605 53.280 54.840 0.076 0.000 0.882 590 L CB 1.450 43.550 42.059 0.070 0.000 1.207 590 L HN -0.054 nan 8.230 nan 0.000 0.443 591 P HA 0.176 nan 4.420 nan 0.000 0.271 591 P C -1.058 176.174 177.300 -0.113 0.000 1.220 591 P CA -0.014 63.035 63.100 -0.086 0.000 0.768 591 P CB 0.958 32.326 31.700 -0.554 0.000 0.848 592 M N 3.840 123.403 119.600 -0.061 0.000 2.465 592 M HA 0.452 4.935 4.480 0.006 0.000 0.316 592 M C 0.023 176.165 176.300 -0.264 0.000 1.121 592 M CA -0.787 54.476 55.300 -0.062 0.000 0.934 592 M CB 1.907 34.614 32.600 0.178 0.000 1.692 592 M HN 0.230 nan 8.290 nan 0.000 0.444 593 I N 4.969 125.401 120.570 -0.229 0.000 2.460 593 I HA 0.285 4.459 4.170 0.006 0.000 0.277 593 I C -2.176 173.940 176.117 -0.002 0.000 1.057 593 I CA -1.553 59.596 61.300 -0.253 0.000 1.179 593 I CB 1.434 39.290 38.000 -0.239 0.000 1.329 593 I HN 0.235 nan 8.210 nan 0.000 0.478 594 P HA 0.307 nan 4.420 nan 0.000 0.284 594 P C -1.083 176.340 177.300 0.206 0.000 1.253 594 P CA -0.258 62.920 63.100 0.129 0.000 0.800 594 P CB 0.975 32.633 31.700 -0.071 0.000 0.961 595 F N 2.441 122.683 119.950 0.487 0.000 2.500 595 F HA 0.256 4.786 4.527 0.006 0.000 0.349 595 F C -0.162 175.933 175.800 0.492 0.000 1.127 595 F CA -0.742 57.561 58.000 0.504 0.000 0.998 595 F CB 1.140 40.396 39.000 0.426 0.000 1.237 595 F HN 0.238 nan 8.300 nan 0.000 0.439 596 Y N 5.830 126.377 120.300 0.410 0.000 2.369 596 Y HA 0.622 5.175 4.550 0.006 0.000 0.337 596 Y C -1.101 174.898 175.900 0.165 0.000 0.961 596 Y CA -2.114 56.140 58.100 0.256 0.000 1.186 596 Y CB 0.725 39.239 38.460 0.091 0.000 1.139 596 Y HN 0.566 nan 8.280 nan 0.000 0.494 597 I N 9.262 129.835 120.570 0.006 0.000 2.441 597 I HA 0.532 4.706 4.170 0.006 0.000 0.295 597 I C -1.703 174.037 176.117 -0.629 0.000 0.994 597 I CA -0.689 60.285 61.300 -0.542 0.000 1.144 597 I CB 0.950 38.609 38.000 -0.568 0.000 1.314 597 I HN 0.700 nan 8.210 nan 0.000 0.445 598 Y N 3.686 123.463 120.300 -0.871 0.000 2.788 598 Y HA 0.435 4.989 4.550 0.006 0.000 0.335 598 Y C -1.810 173.935 175.900 -0.258 0.000 1.287 598 Y CA -1.492 56.328 58.100 -0.466 0.000 1.068 598 Y CB 0.234 38.481 38.460 -0.355 0.000 1.340 598 Y HN 0.349 nan 8.280 nan 0.000 0.449 599 Y N 2.189 122.647 120.300 0.264 0.000 2.650 599 Y HA 0.140 4.694 4.550 0.006 0.000 0.331 599 Y C 1.904 177.802 175.900 -0.003 0.000 1.165 599 Y CA 1.059 59.273 58.100 0.191 0.000 1.473 599 Y CB 0.985 39.610 38.460 0.276 0.000 1.224 599 Y HN 0.796 nan 8.280 nan 0.000 0.533 600 S N 2.158 117.832 115.700 -0.043 0.000 2.387 600 S HA -0.355 4.119 4.470 0.006 0.000 0.230 600 S C 1.976 176.607 174.600 0.051 0.000 1.035 600 S CA 1.566 59.769 58.200 0.006 0.000 1.014 600 S CB -0.384 62.817 63.200 0.001 0.000 0.836 600 S HN 0.831 nan 8.310 nan 0.000 0.466 601 M N 1.452 120.950 119.600 -0.169 0.000 2.144 601 M HA 0.034 4.517 4.480 0.006 0.000 0.260 601 M C 0.565 176.698 176.300 -0.279 0.000 1.067 601 M CA 1.445 56.522 55.300 -0.372 0.000 1.095 601 M CB -0.831 31.334 32.600 -0.726 0.000 1.365 601 M HN 0.342 nan 8.290 nan 0.000 0.406 602 F N -0.458 119.594 119.950 0.170 0.000 2.663 602 F HA 0.411 4.942 4.527 0.006 0.000 0.299 602 F C 1.595 177.395 175.800 -0.000 0.000 1.143 602 F CA -0.264 57.790 58.000 0.091 0.000 1.387 602 F CB -1.689 37.362 39.000 0.085 0.000 1.019 602 F HN 0.123 nan 8.300 nan 0.000 0.523 603 G N -0.082 108.812 108.800 0.157 0.000 3.199 603 G HA2 0.010 3.974 3.960 0.006 0.000 0.184 603 G HA3 0.010 3.974 3.960 0.006 0.000 0.184 603 G C 1.115 175.874 174.900 -0.235 0.000 1.974 603 G CA -0.090 44.911 45.100 -0.165 0.000 0.885 603 G HN 0.123 nan 8.290 nan 0.000 0.575 604 F N 0.949 120.811 119.950 -0.147 0.000 2.192 604 F HA -0.100 4.430 4.527 0.005 0.000 0.301 604 F C 2.899 178.681 175.800 -0.029 0.000 1.079 604 F CA 1.729 59.661 58.000 -0.113 0.000 1.303 604 F CB -0.360 38.540 39.000 -0.166 0.000 1.024 604 F HN 0.314 nan 8.300 nan 0.000 0.494 605 Q N 0.318 120.221 119.800 0.172 0.000 2.124 605 Q HA -0.238 4.105 4.340 0.006 0.000 0.202 605 Q C 2.287 178.357 176.000 0.116 0.000 0.977 605 Q CA 1.684 57.582 55.803 0.158 0.000 0.850 605 Q CB -0.003 28.850 28.738 0.191 0.000 0.901 605 Q HN 0.204 nan 8.270 nan 0.000 0.429 606 R N 0.467 121.027 120.500 0.099 0.000 2.156 606 R HA 0.114 4.458 4.340 0.006 0.000 0.207 606 R C 1.409 177.711 176.300 0.003 0.000 1.040 606 R CA 1.132 57.272 56.100 0.068 0.000 1.013 606 R CB 0.159 30.525 30.300 0.111 0.000 0.931 606 R HN 0.487 nan 8.270 nan 0.000 0.465 607 I N -3.105 117.435 120.570 -0.051 0.000 3.707 607 I HA 0.525 4.698 4.170 0.006 0.000 0.330 607 I C 0.924 177.003 176.117 -0.063 0.000 1.572 607 I CA -0.198 61.054 61.300 -0.080 0.000 1.104 607 I CB 0.842 38.748 38.000 -0.157 0.000 1.240 607 I HN 0.062 nan 8.210 nan 0.000 0.475 608 G N 1.251 110.055 108.800 0.007 0.000 2.462 608 G HA2 -0.294 3.669 3.960 0.006 0.000 0.220 608 G HA3 -0.294 3.669 3.960 0.006 0.000 0.220 608 G C 1.114 176.098 174.900 0.140 0.000 1.121 608 G CA 1.273 46.431 45.100 0.096 0.000 0.758 608 G HN 0.468 nan 8.290 nan 0.000 0.559 609 D N -0.324 120.133 120.400 0.096 0.000 2.183 609 D HA -0.051 4.593 4.640 0.006 0.000 0.203 609 D C 2.311 178.724 176.300 0.187 0.000 0.969 609 D CA 0.295 54.376 54.000 0.134 0.000 0.842 609 D CB -0.115 40.731 40.800 0.077 0.000 0.957 609 D HN 0.215 nan 8.370 nan 0.000 0.484 610 L N -0.236 121.053 121.223 0.111 0.000 2.109 610 L HA -0.036 4.308 4.340 0.006 0.000 0.207 610 L C 2.072 179.017 176.870 0.125 0.000 1.086 610 L CA 1.363 56.263 54.840 0.100 0.000 0.760 610 L CB -0.469 41.600 42.059 0.017 0.000 0.910 610 L HN 0.108 nan 8.230 nan 0.000 0.437 611 C N -1.267 118.094 119.300 0.101 0.000 2.440 611 C HA -0.166 4.297 4.460 0.006 0.000 0.278 611 C C 2.515 177.723 174.990 0.364 0.000 1.295 611 C CA 0.575 59.681 59.018 0.146 0.000 1.738 611 C CB -1.355 26.429 27.740 0.073 0.000 1.987 611 C HN 0.805 nan 8.230 nan 0.000 0.492 612 W N 1.635 123.039 121.300 0.174 0.000 2.379 612 W HA -0.114 4.550 4.660 0.006 0.000 0.307 612 W C 2.420 179.045 176.519 0.177 0.000 1.200 612 W CA 1.591 59.040 57.345 0.173 0.000 1.297 612 W CB -0.475 29.057 29.460 0.120 0.000 1.140 612 W HN 0.334 nan 8.180 nan 0.000 0.507 613 A N 1.057 124.069 122.820 0.320 0.000 1.908 613 A HA -0.147 4.176 4.320 0.006 0.000 0.218 613 A C 2.139 179.820 177.584 0.162 0.000 1.181 613 A CA 2.772 54.941 52.037 0.220 0.000 0.627 613 A CB -1.359 17.780 19.000 0.232 0.000 0.818 613 A HN 0.322 nan 8.150 nan 0.000 0.445 614 A N -0.478 122.456 122.820 0.190 0.000 1.908 614 A HA 0.063 4.386 4.320 0.006 0.000 0.218 614 A C 2.441 180.165 177.584 0.235 0.000 1.181 614 A CA 2.081 54.236 52.037 0.197 0.000 0.627 614 A CB -1.466 17.659 19.000 0.208 0.000 0.818 614 A HN 0.786 nan 8.150 nan 0.000 0.445 615 G N -0.317 108.643 108.800 0.267 0.000 2.440 615 G HA2 -0.322 3.642 3.960 0.006 0.000 0.218 615 G HA3 -0.322 3.642 3.960 0.006 0.000 0.218 615 G C 1.360 176.260 174.900 0.001 0.000 1.154 615 G CA 1.430 46.626 45.100 0.160 0.000 0.767 615 G HN 0.528 nan 8.290 nan 0.000 0.552 616 D N 0.036 120.393 120.400 -0.072 0.000 2.144 616 D HA -0.102 4.542 4.640 0.006 0.000 0.199 616 D C 2.252 178.590 176.300 0.064 0.000 0.984 616 D CA 0.875 54.858 54.000 -0.029 0.000 0.834 616 D CB -0.256 40.559 40.800 0.025 0.000 0.955 616 D HN 0.442 nan 8.370 nan 0.000 0.465 617 Q N -0.529 119.324 119.800 0.088 0.000 2.415 617 Q HA 0.026 4.370 4.340 0.006 0.000 0.206 617 Q C -0.209 175.836 176.000 0.075 0.000 0.946 617 Q CA 0.020 55.868 55.803 0.074 0.000 0.951 617 Q CB 0.130 28.920 28.738 0.087 0.000 1.026 617 Q HN 0.178 nan 8.270 nan 0.000 0.510 618 Q N -1.542 118.325 119.800 0.112 0.000 2.468 618 Q HA -0.210 4.134 4.340 0.006 0.000 0.289 618 Q C -0.558 175.574 176.000 0.220 0.000 1.299 618 Q CA 0.861 56.760 55.803 0.159 0.000 0.838 618 Q CB -2.304 26.532 28.738 0.164 0.000 1.195 618 Q HN 0.477 nan 8.270 nan 0.000 0.456 619 A N 1.191 124.124 122.820 0.188 0.000 2.498 619 A HA 0.354 4.677 4.320 0.006 0.000 0.239 619 A C 0.433 178.124 177.584 0.179 0.000 1.068 619 A CA 0.280 52.369 52.037 0.086 0.000 0.766 619 A CB 0.370 19.274 19.000 -0.159 0.000 1.003 619 A HN 0.319 nan 8.150 nan 0.000 0.497 620 R N 1.789 122.347 120.500 0.097 0.000 2.371 620 R HA 0.578 4.921 4.340 0.006 0.000 0.312 620 R C 0.178 176.534 176.300 0.093 0.000 0.980 620 R CA 0.170 56.304 56.100 0.058 0.000 0.867 620 R CB 1.839 31.978 30.300 -0.269 0.000 1.163 620 R HN 1.049 nan 8.270 nan 0.000 0.492 621 G N 1.712 110.591 108.800 0.132 0.000 2.489 621 G HA2 0.469 4.432 3.960 0.006 0.000 0.305 621 G HA3 0.469 4.432 3.960 0.006 0.000 0.305 621 G C -1.835 173.218 174.900 0.255 0.000 1.311 621 G CA -0.623 44.564 45.100 0.145 0.000 0.813 621 G HN 0.228 nan 8.290 nan 0.000 0.480 622 F N 0.133 120.339 119.950 0.427 0.000 2.493 622 F HA 0.656 5.187 4.527 0.006 0.000 0.329 622 F C 0.107 176.095 175.800 0.313 0.000 1.126 622 F CA -0.659 57.541 58.000 0.333 0.000 0.937 622 F CB 2.263 41.268 39.000 0.008 0.000 1.146 622 F HN 0.123 nan 8.300 nan 0.000 0.442 623 L N 5.189 126.635 121.223 0.373 0.000 2.305 623 L HA 0.515 4.858 4.340 0.006 0.000 0.284 623 L C -0.872 176.114 176.870 0.193 0.000 1.013 623 L CA -0.688 54.222 54.840 0.116 0.000 0.819 623 L CB 1.328 43.393 42.059 0.009 0.000 1.227 623 L HN 0.418 nan 8.230 nan 0.000 0.417 624 I N 3.055 123.566 120.570 -0.098 0.000 2.328 624 I HA 0.261 4.435 4.170 0.006 0.000 0.287 624 I C 0.814 176.486 176.117 -0.742 0.000 1.012 624 I CA -0.293 60.762 61.300 -0.408 0.000 1.195 624 I CB 1.341 38.903 38.000 -0.730 0.000 1.350 624 I HN 0.595 nan 8.210 nan 0.000 0.464 625 G N 5.590 114.052 108.800 -0.563 0.000 2.639 625 G HA2 0.464 4.427 3.960 0.006 0.000 0.312 625 G HA3 0.464 4.427 3.960 0.006 0.000 0.312 625 G C 0.535 175.126 174.900 -0.515 0.000 0.911 625 G CA -0.318 44.423 45.100 -0.600 0.000 1.410 625 G HN 0.746 nan 8.290 nan 0.000 0.469 626 G N 1.312 109.706 108.800 -0.677 0.000 2.653 626 G HA2 0.441 4.405 3.960 0.006 0.000 0.265 626 G HA3 0.441 4.405 3.960 0.006 0.000 0.265 626 G C 1.011 175.867 174.900 -0.073 0.000 1.237 626 G CA 0.469 45.349 45.100 -0.368 0.000 0.946 626 G HN 1.560 nan 8.290 nan 0.000 0.522 627 T N -2.474 112.129 114.554 0.081 0.000 3.538 627 T HA -0.214 4.139 4.350 0.006 0.000 0.385 627 T C 0.620 175.344 174.700 0.039 0.000 0.766 627 T CA 0.872 63.008 62.100 0.061 0.000 1.906 627 T CB -2.565 66.332 68.868 0.049 0.000 1.760 627 T HN 1.731 nan 8.240 nan 0.000 0.678 628 S N -0.292 115.412 115.700 0.006 0.000 2.681 628 S HA 0.761 5.234 4.470 0.006 0.000 0.270 628 S C 0.795 175.369 174.600 -0.043 0.000 1.209 628 S CA -0.099 58.105 58.200 0.007 0.000 0.988 628 S CB 1.522 64.759 63.200 0.061 0.000 1.006 628 S HN 2.418 nan 8.310 nan 0.000 0.558 629 G N 0.700 109.387 108.800 -0.189 0.000 3.039 629 G HA2 -0.113 3.850 3.960 0.006 0.000 0.686 629 G HA3 -0.113 3.850 3.960 0.006 0.000 0.686 629 G C -0.026 174.668 174.900 -0.344 0.000 1.066 629 G CA -0.037 44.801 45.100 -0.437 0.000 0.774 629 G HN 0.876 nan 8.290 nan 0.000 0.591 630 R N 0.672 120.887 120.500 -0.475 0.000 2.096 630 R HA -0.110 4.233 4.340 0.006 0.000 0.240 630 R C 3.061 179.230 176.300 -0.218 0.000 1.139 630 R CA 3.441 59.314 56.100 -0.378 0.000 0.952 630 R CB -0.467 29.444 30.300 -0.649 0.000 0.854 630 R HN 1.134 nan 8.270 nan 0.000 0.436 631 T N -4.009 110.433 114.554 -0.187 0.000 3.067 631 T HA 0.044 4.398 4.350 0.006 0.000 0.257 631 T C 1.568 176.270 174.700 0.004 0.000 1.105 631 T CA 1.094 63.178 62.100 -0.026 0.000 1.104 631 T CB -0.036 68.829 68.868 -0.005 0.000 0.925 631 T HN 0.185 nan 8.240 nan 0.000 0.498 632 T N 1.996 116.537 114.554 -0.021 0.000 2.896 632 T HA 0.182 4.535 4.350 0.006 0.000 0.263 632 T C 0.807 175.528 174.700 0.035 0.000 1.050 632 T CA 0.306 62.421 62.100 0.025 0.000 1.140 632 T CB -0.261 68.626 68.868 0.033 0.000 0.877 632 T HN 0.269 nan 8.240 nan 0.000 0.457 633 L N 4.384 125.623 121.223 0.027 0.000 2.648 633 L HA 0.305 4.649 4.340 0.006 0.000 0.238 633 L C 1.346 178.244 176.870 0.047 0.000 1.316 633 L CA -0.631 54.238 54.840 0.048 0.000 1.241 633 L CB -0.828 41.279 42.059 0.081 0.000 1.499 633 L HN 0.100 nan 8.230 nan 0.000 0.411 634 N N 0.510 119.237 118.700 0.045 0.000 2.021 634 N HA -0.234 4.509 4.740 0.006 0.000 0.198 634 N C 1.502 177.038 175.510 0.042 0.000 1.041 634 N CA 1.827 54.909 53.050 0.053 0.000 0.862 634 N CB -0.925 37.593 38.487 0.052 0.000 1.048 634 N HN 0.448 nan 8.380 nan 0.000 0.427 635 G N 0.841 109.655 108.800 0.023 0.000 2.422 635 G HA2 -0.197 3.767 3.960 0.006 0.000 0.218 635 G HA3 -0.197 3.767 3.960 0.006 0.000 0.218 635 G C 1.462 176.355 174.900 -0.012 0.000 1.140 635 G CA 0.423 45.528 45.100 0.007 0.000 0.775 635 G HN 0.298 nan 8.290 nan 0.000 0.545 636 E N 0.619 120.797 120.200 -0.037 0.000 2.153 636 E HA 0.079 4.432 4.350 0.006 0.000 0.194 636 E C 1.827 178.418 176.600 -0.015 0.000 0.988 636 E CA 0.796 57.120 56.400 -0.126 0.000 0.811 636 E CB -0.464 29.078 29.700 -0.264 0.000 0.746 636 E HN 0.506 nan 8.360 nan 0.000 0.466 637 G N 0.613 109.453 108.800 0.066 0.000 2.615 637 G HA2 -0.323 3.640 3.960 0.006 0.000 0.218 637 G HA3 -0.323 3.640 3.960 0.006 0.000 0.218 637 G C 0.617 175.625 174.900 0.181 0.000 1.339 637 G CA -0.049 45.119 45.100 0.115 0.000 0.884 637 G HN 0.305 nan 8.290 nan 0.000 0.559 638 L N -0.184 121.140 121.223 0.169 0.000 2.010 638 L HA -0.174 4.169 4.340 0.006 0.000 0.219 638 L C 2.616 179.618 176.870 0.221 0.000 1.077 638 L CA 3.051 58.008 54.840 0.195 0.000 0.773 638 L CB -0.215 41.902 42.059 0.097 0.000 0.892 638 L HN 0.715 nan 8.230 nan 0.000 0.436 639 Q N -2.252 117.676 119.800 0.213 0.000 2.320 639 Q HA -0.022 4.321 4.340 0.006 0.000 0.201 639 Q C 0.802 176.805 176.000 0.005 0.000 0.910 639 Q CA 0.163 56.058 55.803 0.153 0.000 0.946 639 Q CB 0.356 29.169 28.738 0.125 0.000 1.062 639 Q HN 0.661 nan 8.270 nan 0.000 0.503 640 H N -0.644 118.452 119.070 0.043 0.000 2.926 640 H HA 0.161 4.721 4.556 0.006 0.000 0.249 640 H C -0.201 175.089 175.328 -0.063 0.000 0.963 640 H CA -0.153 55.852 56.048 -0.072 0.000 1.158 640 H CB 0.790 30.561 29.762 0.014 0.000 1.445 640 H HN 0.061 nan 8.280 nan 0.000 0.452 641 E N 2.390 122.667 120.200 0.130 0.000 1.985 641 E HA 0.001 4.355 4.350 0.006 0.000 0.268 641 E C -0.670 175.910 176.600 -0.034 0.000 1.219 641 E CA -0.190 56.237 56.400 0.045 0.000 0.942 641 E CB 0.260 30.001 29.700 0.069 0.000 1.045 641 E HN 0.255 nan 8.360 nan 0.000 0.413 642 D N 2.351 122.682 120.400 -0.116 0.000 2.336 642 D HA 0.136 4.779 4.640 0.006 0.000 0.249 642 D C 0.534 176.653 176.300 -0.301 0.000 1.213 642 D CA -0.314 53.549 54.000 -0.228 0.000 0.870 642 D CB 0.767 41.452 40.800 -0.192 0.000 1.076 642 D HN 0.440 nan 8.370 nan 0.000 0.483 643 G N 2.991 111.654 108.800 -0.228 0.000 3.863 643 G HA2 0.024 3.988 3.960 0.006 0.000 0.290 643 G HA3 0.024 3.988 3.960 0.006 0.000 0.290 643 G C 0.511 175.498 174.900 0.146 0.000 1.018 643 G CA -0.370 44.568 45.100 -0.271 0.000 0.824 643 G HN 0.723 nan 8.290 nan 0.000 0.507 644 H N -1.964 117.201 119.070 0.158 0.000 3.770 644 H HA 0.058 4.617 4.556 0.006 0.000 0.264 644 H C 1.602 176.946 175.328 0.026 0.000 1.164 644 H CA 0.700 56.808 56.048 0.101 0.000 1.158 644 H CB -0.440 29.323 29.762 0.001 0.000 1.653 644 H HN 0.218 nan 8.280 nan 0.000 0.795 645 S N 0.695 116.282 115.700 -0.188 0.000 2.419 645 S HA -0.209 4.265 4.470 0.006 0.000 0.235 645 S C 1.557 175.962 174.600 -0.325 0.000 1.019 645 S CA 1.182 59.277 58.200 -0.174 0.000 0.982 645 S CB -0.825 62.356 63.200 -0.032 0.000 0.789 645 S HN 0.472 nan 8.310 nan 0.000 0.490 646 H N 0.931 119.788 119.070 -0.354 0.000 2.491 646 H HA 0.124 4.683 4.556 0.006 0.000 0.290 646 H C 1.812 176.977 175.328 -0.271 0.000 1.050 646 H CA 1.203 56.972 56.048 -0.465 0.000 1.309 646 H CB -0.043 29.004 29.762 -1.191 0.000 1.392 646 H HN 0.397 nan 8.280 nan 0.000 0.554 647 I N 0.692 121.214 120.570 -0.081 0.000 2.406 647 I HA -0.169 4.004 4.170 0.006 0.000 0.249 647 I C 2.132 178.208 176.117 -0.067 0.000 1.122 647 I CA 0.921 62.218 61.300 -0.005 0.000 1.431 647 I CB -0.811 37.217 38.000 0.046 0.000 1.087 647 I HN 0.248 nan 8.210 nan 0.000 0.424 648 Q N 0.628 120.347 119.800 -0.134 0.000 2.049 648 Q HA -0.127 4.216 4.340 0.006 0.000 0.198 648 Q C 2.394 178.148 176.000 -0.410 0.000 0.971 648 Q CA 1.984 57.681 55.803 -0.177 0.000 0.833 648 Q CB -0.251 28.437 28.738 -0.083 0.000 0.896 648 Q HN 0.561 nan 8.270 nan 0.000 0.434 649 S N 1.591 116.779 115.700 -0.853 0.000 2.399 649 S HA -0.158 4.316 4.470 0.006 0.000 0.231 649 S C 2.026 176.393 174.600 -0.388 0.000 1.022 649 S CA 1.304 58.846 58.200 -1.098 0.000 0.983 649 S CB -0.561 61.869 63.200 -1.284 0.000 0.803 649 S HN 0.434 nan 8.310 nan 0.000 0.480 650 L N 1.976 123.081 121.223 -0.196 0.000 2.456 650 L HA 0.141 4.485 4.340 0.006 0.000 0.224 650 L C 2.182 179.036 176.870 -0.027 0.000 1.148 650 L CA 1.679 56.479 54.840 -0.067 0.000 0.825 650 L CB -2.053 40.014 42.059 0.014 0.000 0.937 650 L HN 0.493 nan 8.230 nan 0.000 0.450 651 T N -2.672 111.874 114.554 -0.012 0.000 3.085 651 T HA 0.209 4.563 4.350 0.006 0.000 0.263 651 T C 0.786 175.628 174.700 0.236 0.000 1.127 651 T CA 0.187 62.341 62.100 0.089 0.000 1.103 651 T CB -0.705 68.208 68.868 0.076 0.000 0.921 651 T HN 0.304 nan 8.240 nan 0.000 0.510 652 I N 2.855 123.513 120.570 0.148 0.000 2.291 652 I HA 0.282 4.455 4.170 0.006 0.000 0.290 652 I C -1.575 174.508 176.117 -0.056 0.000 1.050 652 I CA -2.590 58.784 61.300 0.125 0.000 1.245 652 I CB 1.809 39.888 38.000 0.130 0.000 1.405 652 I HN -0.069 nan 8.210 nan 0.000 0.478 653 P HA -0.207 nan 4.420 nan 0.000 0.216 653 P C 0.496 177.704 177.300 -0.153 0.000 1.157 653 P CA 1.465 64.503 63.100 -0.104 0.000 0.880 653 P CB -0.044 31.591 31.700 -0.109 0.000 0.791 654 N N -1.790 116.789 118.700 -0.202 0.000 2.327 654 N HA 0.033 4.776 4.740 0.006 0.000 0.231 654 N C -0.765 174.509 175.510 -0.393 0.000 1.130 654 N CA -0.364 52.556 53.050 -0.218 0.000 0.845 654 N CB -1.150 37.254 38.487 -0.138 0.000 1.073 654 N HN 0.089 nan 8.380 nan 0.000 0.496 655 C N 1.536 120.560 119.300 -0.459 0.000 2.303 655 C HA 0.590 5.054 4.460 0.006 0.000 0.326 655 C C -0.522 174.257 174.990 -0.351 0.000 1.285 655 C CA -1.016 57.621 59.018 -0.635 0.000 1.675 655 C CB -0.655 26.738 27.740 -0.578 0.000 2.289 655 C HN 0.334 nan 8.230 nan 0.000 0.512 656 I N 6.171 126.521 120.570 -0.367 0.000 2.321 656 I HA 0.329 4.503 4.170 0.006 0.000 0.291 656 I C 0.471 176.394 176.117 -0.324 0.000 0.998 656 I CA 0.304 61.339 61.300 -0.441 0.000 1.227 656 I CB 1.030 38.569 38.000 -0.768 0.000 1.368 656 I HN 0.674 nan 8.210 nan 0.000 0.466 657 S N 6.471 122.018 115.700 -0.254 0.000 2.475 657 S HA 0.718 5.191 4.470 0.006 0.000 0.298 657 S C -0.932 173.557 174.600 -0.185 0.000 1.119 657 S CA -0.433 57.760 58.200 -0.011 0.000 1.085 657 S CB 1.304 64.636 63.200 0.220 0.000 1.028 657 S HN 0.361 nan 8.310 nan 0.000 0.489 658 Y N 0.637 121.019 120.300 0.136 0.000 2.512 658 Y HA 0.428 4.981 4.550 0.006 0.000 0.348 658 Y C -0.292 175.655 175.900 0.078 0.000 0.990 658 Y CA -0.959 57.191 58.100 0.083 0.000 1.033 658 Y CB 1.806 40.312 38.460 0.077 0.000 1.259 658 Y HN 0.580 nan 8.280 nan 0.000 0.461 659 D N 3.743 124.251 120.400 0.179 0.000 2.513 659 D HA 0.262 4.905 4.640 0.006 0.000 0.295 659 D C -2.913 173.467 176.300 0.133 0.000 1.202 659 D CA -2.117 51.958 54.000 0.124 0.000 0.849 659 D CB 0.832 41.627 40.800 -0.009 0.000 1.116 659 D HN 0.061 nan 8.370 nan 0.000 0.502 660 P HA 0.176 nan 4.420 nan 0.000 0.271 660 P C 0.116 177.417 177.300 0.002 0.000 1.218 660 P CA -0.216 62.915 63.100 0.051 0.000 0.780 660 P CB 2.071 33.794 31.700 0.037 0.000 0.901 661 A N 2.386 125.128 122.820 -0.130 0.000 2.014 661 A HA 0.153 4.476 4.320 0.006 0.000 0.210 661 A C 0.284 177.754 177.584 -0.191 0.000 1.188 661 A CA 0.943 52.832 52.037 -0.247 0.000 0.731 661 A CB -0.411 18.214 19.000 -0.626 0.000 0.858 661 A HN 0.536 nan 8.150 nan 0.000 0.464 662 Y N -2.463 117.808 120.300 -0.049 0.000 2.549 662 Y HA 0.616 5.170 4.550 0.006 0.000 0.339 662 Y C 1.423 177.187 175.900 -0.226 0.000 1.053 662 Y CA -1.244 56.759 58.100 -0.162 0.000 1.105 662 Y CB 1.229 39.405 38.460 -0.473 0.000 1.258 662 Y HN 0.062 nan 8.280 nan 0.000 0.478 663 A N 1.228 124.079 122.820 0.051 0.000 1.940 663 A HA -0.245 4.078 4.320 0.006 0.000 0.219 663 A C 1.766 179.367 177.584 0.028 0.000 1.176 663 A CA 2.211 54.264 52.037 0.027 0.000 0.631 663 A CB -1.368 17.659 19.000 0.044 0.000 0.814 663 A HN 0.901 nan 8.150 nan 0.000 0.446 664 Y N -0.427 119.932 120.300 0.099 0.000 2.421 664 Y HA 0.053 4.606 4.550 0.006 0.000 0.292 664 Y C 1.731 177.658 175.900 0.045 0.000 1.136 664 Y CA 1.028 59.158 58.100 0.050 0.000 1.255 664 Y CB -0.731 37.744 38.460 0.024 0.000 0.991 664 Y HN 0.406 nan 8.280 nan 0.000 0.552 665 E N 0.734 120.800 120.200 -0.224 0.000 2.107 665 E HA -0.100 4.253 4.350 0.006 0.000 0.191 665 E C 2.265 178.838 176.600 -0.045 0.000 0.982 665 E CA 1.257 57.612 56.400 -0.075 0.000 0.809 665 E CB -0.184 29.460 29.700 -0.092 0.000 0.756 665 E HN 0.375 nan 8.360 nan 0.000 0.459 666 V N 1.622 121.515 119.914 -0.036 0.000 2.332 666 V HA -0.308 3.815 4.120 0.006 0.000 0.248 666 V C 2.343 178.408 176.094 -0.048 0.000 1.055 666 V CA 1.996 64.290 62.300 -0.010 0.000 1.038 666 V CB -0.709 31.135 31.823 0.034 0.000 0.651 666 V HN 0.331 nan 8.190 nan 0.000 0.450 667 A N -0.434 122.352 122.820 -0.057 0.000 1.873 667 A HA -0.150 4.174 4.320 0.006 0.000 0.215 667 A C 2.393 179.815 177.584 -0.270 0.000 1.186 667 A CA 2.012 53.933 52.037 -0.193 0.000 0.616 667 A CB -0.697 18.266 19.000 -0.062 0.000 0.823 667 A HN 0.322 nan 8.150 nan 0.000 0.442 668 V N 0.326 120.174 119.914 -0.110 0.000 2.295 668 V HA -0.283 3.841 4.120 0.006 0.000 0.246 668 V C 2.439 178.492 176.094 -0.069 0.000 1.049 668 V CA 2.118 64.374 62.300 -0.072 0.000 1.024 668 V CB -0.689 31.129 31.823 -0.008 0.000 0.648 668 V HN 0.574 nan 8.190 nan 0.000 0.447 669 I N -0.850 119.647 120.570 -0.121 0.000 2.226 669 I HA -0.314 3.859 4.170 0.006 0.000 0.245 669 I C 2.478 178.575 176.117 -0.033 0.000 1.100 669 I CA 1.874 63.068 61.300 -0.176 0.000 1.374 669 I CB -0.298 37.485 38.000 -0.362 0.000 1.057 669 I HN 0.277 nan 8.210 nan 0.000 0.413 670 M N -0.665 118.910 119.600 -0.043 0.000 2.229 670 M HA -0.208 4.275 4.480 0.006 0.000 0.264 670 M C 2.460 178.733 176.300 -0.046 0.000 1.063 670 M CA 1.432 56.733 55.300 0.001 0.000 1.114 670 M CB -0.666 31.862 32.600 -0.120 0.000 1.387 670 M HN 0.348 nan 8.290 nan 0.000 0.420 671 H N -0.080 118.803 119.070 -0.311 0.000 2.357 671 H HA -0.176 4.383 4.556 0.006 0.000 0.301 671 H C 1.451 176.757 175.328 -0.037 0.000 1.082 671 H CA 2.104 58.014 56.048 -0.230 0.000 1.342 671 H CB -0.068 29.494 29.762 -0.335 0.000 1.389 671 H HN 0.311 nan 8.280 nan 0.000 0.511 672 D N -0.181 120.148 120.400 -0.118 0.000 2.097 672 D HA -0.085 4.558 4.640 0.006 0.000 0.195 672 D C 2.470 178.680 176.300 -0.150 0.000 0.989 672 D CA 1.683 55.612 54.000 -0.118 0.000 0.827 672 D CB -0.758 40.071 40.800 0.048 0.000 0.966 672 D HN 0.529 nan 8.370 nan 0.000 0.456 673 G N 0.322 108.967 108.800 -0.258 0.000 2.446 673 G HA2 -0.249 3.714 3.960 0.006 0.000 0.217 673 G HA3 -0.249 3.714 3.960 0.006 0.000 0.217 673 G C 1.583 176.327 174.900 -0.260 0.000 1.168 673 G CA 0.888 45.542 45.100 -0.744 0.000 0.771 673 G HN 0.336 nan 8.290 nan 0.000 0.551 674 L N 0.634 121.913 121.223 0.094 0.000 2.012 674 L HA -0.059 4.285 4.340 0.006 0.000 0.210 674 L C 2.695 179.618 176.870 0.088 0.000 1.073 674 L CA 2.564 57.541 54.840 0.228 0.000 0.748 674 L CB -0.534 41.673 42.059 0.247 0.000 0.891 674 L HN 0.329 nan 8.230 nan 0.000 0.431 675 E N -0.449 119.702 120.200 -0.082 0.000 2.047 675 E HA -0.189 4.164 4.350 0.006 0.000 0.191 675 E C 2.347 178.922 176.600 -0.042 0.000 0.987 675 E CA 1.394 57.744 56.400 -0.083 0.000 0.799 675 E CB -0.103 29.457 29.700 -0.233 0.000 0.752 675 E HN 0.384 nan 8.360 nan 0.000 0.449 676 R N -0.631 119.831 120.500 -0.063 0.000 2.073 676 R HA -0.060 4.284 4.340 0.006 0.000 0.234 676 R C 2.517 178.763 176.300 -0.090 0.000 1.134 676 R CA 2.029 58.102 56.100 -0.045 0.000 0.952 676 R CB -0.265 30.044 30.300 0.015 0.000 0.850 676 R HN 0.311 nan 8.270 nan 0.000 0.433 677 M N -1.650 117.869 119.600 -0.135 0.000 2.248 677 M HA -0.036 4.447 4.480 0.006 0.000 0.265 677 M C 0.864 176.851 176.300 -0.522 0.000 1.079 677 M CA 1.426 56.530 55.300 -0.327 0.000 1.150 677 M CB 0.241 32.630 32.600 -0.352 0.000 1.366 677 M HN 0.089 nan 8.290 nan 0.000 0.433 678 Y N -0.061 120.263 120.300 0.040 0.000 2.531 678 Y HA 0.386 4.940 4.550 0.006 0.000 0.249 678 Y C 1.324 177.368 175.900 0.239 0.000 1.168 678 Y CA -0.646 57.555 58.100 0.169 0.000 1.226 678 Y CB 0.014 38.505 38.460 0.052 0.000 1.177 678 Y HN 0.054 nan 8.280 nan 0.000 0.527 679 G N -0.467 108.438 108.800 0.175 0.000 2.532 679 G HA2 0.115 4.079 3.960 0.006 0.000 0.291 679 G HA3 0.115 4.079 3.960 0.006 0.000 0.291 679 G C 0.689 175.621 174.900 0.053 0.000 1.349 679 G CA -0.300 44.878 45.100 0.130 0.000 1.038 679 G HN 0.012 nan 8.290 nan 0.000 0.518 680 E N -0.317 119.895 120.200 0.019 0.000 2.147 680 E HA -0.192 4.162 4.350 0.006 0.000 0.199 680 E C 2.143 178.690 176.600 -0.088 0.000 1.005 680 E CA 1.120 57.495 56.400 -0.040 0.000 0.810 680 E CB -0.165 29.524 29.700 -0.019 0.000 0.736 680 E HN 0.605 nan 8.360 nan 0.000 0.460 681 K N 0.669 121.029 120.400 -0.067 0.000 2.103 681 K HA -0.172 4.152 4.320 0.006 0.000 0.207 681 K C 0.394 176.915 176.600 -0.131 0.000 1.048 681 K CA 0.990 57.228 56.287 -0.082 0.000 0.930 681 K CB 0.056 32.522 32.500 -0.057 0.000 0.716 681 K HN 0.067 nan 8.250 nan 0.000 0.444 682 Q N 1.066 120.764 119.800 -0.170 0.000 2.439 682 Q HA -0.204 4.139 4.340 0.006 0.000 0.325 682 Q C -0.987 174.882 176.000 -0.217 0.000 1.372 682 Q CA 0.585 56.233 55.803 -0.259 0.000 0.909 682 Q CB -1.381 27.138 28.738 -0.365 0.000 1.167 682 Q HN 0.455 nan 8.270 nan 0.000 0.418 683 E N 0.931 121.032 120.200 -0.166 0.000 2.344 683 E HA 0.027 4.381 4.350 0.006 0.000 0.270 683 E C -0.096 176.427 176.600 -0.127 0.000 1.021 683 E CA -0.294 56.038 56.400 -0.112 0.000 0.887 683 E CB 0.554 30.217 29.700 -0.061 0.000 0.997 683 E HN 0.176 nan 8.360 nan 0.000 0.429 684 N N 4.149 122.800 118.700 -0.081 0.000 2.739 684 N HA 0.122 4.865 4.740 0.006 0.000 0.266 684 N C -1.029 174.477 175.510 -0.005 0.000 1.168 684 N CA 0.105 53.131 53.050 -0.041 0.000 1.055 684 N CB 0.899 39.389 38.487 0.004 0.000 1.393 684 N HN 0.178 nan 8.380 nan 0.000 0.514 685 V N 2.653 122.575 119.914 0.014 0.000 3.147 685 V HA 0.570 4.693 4.120 0.006 0.000 0.306 685 V C -1.706 174.496 176.094 0.179 0.000 1.209 685 V CA -0.841 61.482 62.300 0.039 0.000 1.023 685 V CB 2.133 33.964 31.823 0.014 0.000 1.059 685 V HN 0.472 nan 8.190 nan 0.000 0.435 686 Y N 3.051 123.445 120.300 0.158 0.000 2.598 686 Y HA 0.860 5.414 4.550 0.005 0.000 0.340 686 Y C -1.650 174.428 175.900 0.297 0.000 1.038 686 Y CA -1.473 56.780 58.100 0.256 0.000 1.100 686 Y CB 1.294 40.007 38.460 0.422 0.000 1.281 686 Y HN 0.526 nan 8.280 nan 0.000 0.488 687 Y N 1.331 121.794 120.300 0.270 0.000 2.420 687 Y HA 0.461 5.015 4.550 0.006 0.000 0.334 687 Y C -1.131 175.052 175.900 0.472 0.000 1.094 687 Y CA -1.456 56.792 58.100 0.247 0.000 1.126 687 Y CB 1.665 40.163 38.460 0.063 0.000 1.217 687 Y HN 0.688 nan 8.280 nan 0.000 0.462 688 Y N 4.089 124.591 120.300 0.336 0.000 2.326 688 Y HA 0.652 5.205 4.550 0.006 0.000 0.329 688 Y C -1.563 174.501 175.900 0.272 0.000 0.973 688 Y CA -1.844 56.437 58.100 0.302 0.000 1.162 688 Y CB 0.556 39.179 38.460 0.272 0.000 1.147 688 Y HN 0.486 nan 8.280 nan 0.000 0.456 689 I N 6.175 126.665 120.570 -0.134 0.000 2.418 689 I HA 0.327 4.500 4.170 0.006 0.000 0.287 689 I C -0.314 175.526 176.117 -0.462 0.000 1.008 689 I CA -0.919 60.279 61.300 -0.169 0.000 1.104 689 I CB 2.221 40.271 38.000 0.083 0.000 1.264 689 I HN 0.637 nan 8.210 nan 0.000 0.438 690 T N 1.511 115.823 114.554 -0.404 0.000 2.856 690 T HA 0.566 4.919 4.350 0.006 0.000 0.292 690 T C 0.122 174.747 174.700 -0.125 0.000 0.980 690 T CA -0.622 61.295 62.100 -0.305 0.000 1.091 690 T CB 1.301 70.112 68.868 -0.094 0.000 0.936 690 T HN 0.702 nan 8.240 nan 0.000 0.503 691 T N 0.730 115.197 114.554 -0.145 0.000 2.907 691 T HA 0.757 5.110 4.350 0.006 0.000 0.290 691 T C -0.491 174.193 174.700 -0.027 0.000 1.066 691 T CA -1.115 60.940 62.100 -0.075 0.000 1.012 691 T CB 1.031 69.830 68.868 -0.115 0.000 1.184 691 T HN 0.576 nan 8.240 nan 0.000 0.522 692 L N 1.714 122.940 121.223 0.005 0.000 2.319 692 L HA 0.560 4.904 4.340 0.006 0.000 0.267 692 L C 0.788 177.665 176.870 0.011 0.000 1.011 692 L CA -1.184 53.670 54.840 0.023 0.000 0.818 692 L CB 1.577 43.670 42.059 0.057 0.000 1.316 692 L HN 0.897 nan 8.230 nan 0.000 0.432 693 N N -0.379 118.332 118.700 0.018 0.000 2.214 693 N HA 0.012 4.755 4.740 0.006 0.000 0.214 693 N C -0.212 175.296 175.510 -0.004 0.000 1.132 693 N CA -0.206 52.845 53.050 0.002 0.000 0.856 693 N CB 0.491 38.973 38.487 -0.007 0.000 1.020 693 N HN 0.691 nan 8.380 nan 0.000 0.509 694 E N 0.916 121.118 120.200 0.002 0.000 2.133 694 E HA 0.212 4.566 4.350 0.006 0.000 0.274 694 E C -0.979 175.553 176.600 -0.113 0.000 0.930 694 E CA -0.640 55.775 56.400 0.026 0.000 0.770 694 E CB 0.625 30.419 29.700 0.156 0.000 1.104 694 E HN 0.083 nan 8.360 nan 0.000 0.403 695 N N 3.540 122.199 118.700 -0.069 0.000 2.499 695 N HA 0.245 4.989 4.740 0.006 0.000 0.281 695 N C -1.011 174.492 175.510 -0.011 0.000 1.098 695 N CA 0.115 53.081 53.050 -0.140 0.000 0.979 695 N CB 0.751 39.212 38.487 -0.043 0.000 1.121 695 N HN 0.424 nan 8.380 nan 0.000 0.466 696 Y N -2.507 117.843 120.300 0.082 0.000 2.764 696 Y HA 0.319 4.872 4.550 0.006 0.000 0.331 696 Y C -0.271 175.707 175.900 0.130 0.000 1.280 696 Y CA -1.226 56.939 58.100 0.107 0.000 1.065 696 Y CB 0.526 39.050 38.460 0.108 0.000 1.319 696 Y HN 0.432 nan 8.280 nan 0.000 0.453 697 H N 3.024 122.307 119.070 0.354 0.000 2.886 697 H HA 0.231 4.790 4.556 0.006 0.000 0.329 697 H C -0.895 174.588 175.328 0.259 0.000 1.044 697 H CA 0.345 56.522 56.048 0.214 0.000 1.456 697 H CB 0.741 30.578 29.762 0.126 0.000 1.464 697 H HN 0.543 nan 8.280 nan 0.000 0.573 698 M N 8.640 127.991 119.600 -0.416 0.000 2.060 698 M HA 0.229 4.713 4.480 0.006 0.000 0.342 698 M C -2.383 173.615 176.300 -0.505 0.000 1.031 698 M CA -2.327 52.802 55.300 -0.285 0.000 0.981 698 M CB 0.911 33.456 32.600 -0.091 0.000 1.376 698 M HN 0.485 nan 8.290 nan 0.000 0.397 699 P HA 0.236 nan 4.420 nan 0.000 0.273 699 P C -0.425 176.837 177.300 -0.063 0.000 1.250 699 P CA -0.300 62.662 63.100 -0.229 0.000 0.793 699 P CB 0.819 32.433 31.700 -0.143 0.000 1.011 700 A N 2.011 124.780 122.820 -0.085 0.000 2.351 700 A HA 0.329 4.652 4.320 0.006 0.000 0.257 700 A C 0.682 177.971 177.584 -0.490 0.000 1.087 700 A CA -0.619 51.318 52.037 -0.167 0.000 0.798 700 A CB -0.283 18.643 19.000 -0.122 0.000 1.033 700 A HN 0.712 nan 8.150 nan 0.000 0.488 701 M N 2.336 121.422 119.600 -0.857 0.000 2.238 701 M HA 0.213 4.696 4.480 0.006 0.000 0.350 701 M C -2.195 173.738 176.300 -0.610 0.000 1.321 701 M CA -1.218 53.211 55.300 -1.451 0.000 1.097 701 M CB 0.218 32.218 32.600 -0.999 0.000 1.713 701 M HN 0.319 nan 8.290 nan 0.000 0.455 702 P HA 0.019 nan 4.420 nan 0.000 0.268 702 P C -1.214 175.988 177.300 -0.164 0.000 1.204 702 P CA -0.030 62.968 63.100 -0.170 0.000 0.768 702 P CB 0.419 32.110 31.700 -0.015 0.000 0.842 703 E N 2.089 122.225 120.200 -0.108 0.000 2.465 703 E HA 0.175 4.529 4.350 0.006 0.000 0.260 703 E C 1.049 177.612 176.600 -0.063 0.000 0.980 703 E CA 0.769 57.118 56.400 -0.086 0.000 0.927 703 E CB -0.402 29.264 29.700 -0.057 0.000 0.934 703 E HN 0.757 nan 8.360 nan 0.000 0.459 704 G N 2.868 111.630 108.800 -0.063 0.000 2.179 704 G HA2 -0.362 3.601 3.960 0.006 0.000 0.260 704 G HA3 -0.362 3.601 3.960 0.006 0.000 0.260 704 G C 0.795 175.667 174.900 -0.046 0.000 0.977 704 G CA 0.489 45.566 45.100 -0.038 0.000 0.641 704 G HN 0.765 nan 8.290 nan 0.000 0.533 705 A N -0.076 122.677 122.820 -0.111 0.000 2.167 705 A HA 0.405 4.729 4.320 0.006 0.000 0.214 705 A C 1.838 179.303 177.584 -0.198 0.000 1.151 705 A CA 1.804 53.716 52.037 -0.209 0.000 0.735 705 A CB -0.231 18.511 19.000 -0.431 0.000 0.802 705 A HN 0.569 nan 8.150 nan 0.000 0.467 706 E N 0.223 120.356 120.200 -0.111 0.000 2.048 706 E HA -0.277 4.077 4.350 0.006 0.000 0.202 706 E C 1.926 178.514 176.600 -0.021 0.000 1.021 706 E CA 1.837 58.200 56.400 -0.060 0.000 0.825 706 E CB -0.220 29.461 29.700 -0.033 0.000 0.756 706 E HN 0.641 nan 8.360 nan 0.000 0.454 707 E N -0.017 120.188 120.200 0.009 0.000 2.077 707 E HA -0.102 4.251 4.350 0.006 0.000 0.193 707 E C 2.118 178.748 176.600 0.049 0.000 0.989 707 E CA 1.495 57.916 56.400 0.035 0.000 0.800 707 E CB -0.746 28.989 29.700 0.059 0.000 0.746 707 E HN 0.284 nan 8.360 nan 0.000 0.452 708 G N 0.641 109.507 108.800 0.111 0.000 2.442 708 G HA2 -0.251 3.712 3.960 0.006 0.000 0.219 708 G HA3 -0.251 3.712 3.960 0.006 0.000 0.219 708 G C 1.698 176.711 174.900 0.187 0.000 1.141 708 G CA 1.014 46.257 45.100 0.238 0.000 0.763 708 G HN 0.337 nan 8.290 nan 0.000 0.554 709 I N 0.087 120.692 120.570 0.058 0.000 2.226 709 I HA -0.175 3.998 4.170 0.006 0.000 0.245 709 I C 3.047 179.246 176.117 0.138 0.000 1.100 709 I CA 1.067 62.429 61.300 0.102 0.000 1.374 709 I CB -0.150 37.841 38.000 -0.015 0.000 1.057 709 I HN 0.101 nan 8.210 nan 0.000 0.413 710 R N 0.437 120.985 120.500 0.079 0.000 2.092 710 R HA -0.092 4.251 4.340 0.006 0.000 0.231 710 R C 2.179 178.551 176.300 0.120 0.000 1.119 710 R CA 0.836 57.006 56.100 0.117 0.000 0.970 710 R CB -0.139 30.201 30.300 0.066 0.000 0.864 710 R HN 0.166 nan 8.270 nan 0.000 0.440 711 K N -0.907 119.443 120.400 -0.084 0.000 2.217 711 K HA 0.043 4.366 4.320 0.006 0.000 0.202 711 K C 1.339 177.803 176.600 -0.227 0.000 1.051 711 K CA 1.239 57.305 56.287 -0.367 0.000 0.952 711 K CB 0.444 32.253 32.500 -1.152 0.000 0.736 711 K HN 0.478 nan 8.250 nan 0.000 0.453 712 G N 0.808 109.602 108.800 -0.010 0.000 2.260 712 G HA2 -0.138 3.825 3.960 0.006 0.000 0.179 712 G HA3 -0.138 3.825 3.960 0.006 0.000 0.179 712 G C 0.092 175.004 174.900 0.021 0.000 1.002 712 G CA -0.074 45.023 45.100 -0.006 0.000 0.677 712 G HN 0.267 nan 8.290 nan 0.000 0.486 713 I N 0.086 120.766 120.570 0.184 0.000 2.771 713 I HA 0.596 4.769 4.170 0.006 0.000 0.291 713 I C -1.728 174.637 176.117 0.413 0.000 1.527 713 I CA -1.404 60.011 61.300 0.191 0.000 1.024 713 I CB 1.805 39.822 38.000 0.027 0.000 1.388 713 I HN 0.501 nan 8.210 nan 0.000 0.447 714 Y N 4.004 124.436 120.300 0.220 0.000 2.592 714 Y HA 0.481 5.034 4.550 0.006 0.000 0.334 714 Y C -1.483 174.557 175.900 0.233 0.000 1.136 714 Y CA -1.345 56.891 58.100 0.227 0.000 1.042 714 Y CB 0.845 39.420 38.460 0.191 0.000 1.325 714 Y HN 0.503 nan 8.280 nan 0.000 0.457 715 K N 3.136 123.644 120.400 0.179 0.000 2.349 715 K HA 0.315 4.639 4.320 0.006 0.000 0.288 715 K C -0.011 176.551 176.600 -0.062 0.000 1.058 715 K CA -0.217 55.990 56.287 -0.134 0.000 0.953 715 K CB 0.603 33.006 32.500 -0.161 0.000 0.997 715 K HN 0.998 nan 8.250 nan 0.000 0.477 716 L N 3.125 124.241 121.223 -0.178 0.000 2.034 716 L HA -0.069 4.274 4.340 0.006 0.000 0.203 716 L C 0.633 177.497 176.870 -0.010 0.000 1.074 716 L CA 1.280 56.114 54.840 -0.010 0.000 0.748 716 L CB 0.014 42.068 42.059 -0.008 0.000 0.905 716 L HN 0.801 nan 8.230 nan 0.000 0.439 717 E N -2.624 117.520 120.200 -0.094 0.000 2.429 717 E HA 0.296 4.649 4.350 0.006 0.000 0.280 717 E C -1.330 175.202 176.600 -0.114 0.000 1.068 717 E CA -0.839 55.519 56.400 -0.070 0.000 0.837 717 E CB 1.474 31.162 29.700 -0.021 0.000 1.357 717 E HN -0.287 nan 8.360 nan 0.000 0.455 718 T N 1.429 115.941 114.554 -0.071 0.000 2.812 718 T HA 0.518 4.871 4.350 0.006 0.000 0.282 718 T C -0.414 174.270 174.700 -0.026 0.000 0.990 718 T CA -0.500 61.564 62.100 -0.060 0.000 0.960 718 T CB 0.450 69.290 68.868 -0.047 0.000 0.948 718 T HN 0.330 nan 8.240 nan 0.000 0.438 719 I N 2.815 123.377 120.570 -0.014 0.000 2.377 719 I HA 0.343 4.516 4.170 0.006 0.000 0.293 719 I C 0.399 176.523 176.117 0.012 0.000 0.987 719 I CA -1.010 60.292 61.300 0.004 0.000 1.185 719 I CB 1.434 39.443 38.000 0.014 0.000 1.341 719 I HN 0.372 nan 8.210 nan 0.000 0.455 720 E N 3.694 123.902 120.200 0.013 0.000 2.373 720 E HA 0.628 4.981 4.350 0.006 0.000 0.263 720 E C 0.012 176.628 176.600 0.025 0.000 1.073 720 E CA -0.122 56.288 56.400 0.017 0.000 0.894 720 E CB 1.661 31.369 29.700 0.013 0.000 1.008 720 E HN 0.848 nan 8.360 nan 0.000 0.420 721 G N -0.409 108.407 108.800 0.028 0.000 2.658 721 G HA2 0.196 4.160 3.960 0.006 0.000 0.301 721 G HA3 0.196 4.160 3.960 0.006 0.000 0.301 721 G C 0.009 174.929 174.900 0.034 0.000 1.481 721 G CA -0.042 45.080 45.100 0.036 0.000 0.931 721 G HN 0.364 nan 8.290 nan 0.000 0.573 722 S N 0.296 116.015 115.700 0.032 0.000 2.556 722 S HA 0.145 4.618 4.470 0.006 0.000 0.216 722 S C 1.297 175.917 174.600 0.033 0.000 0.970 722 S CA 0.004 58.221 58.200 0.028 0.000 0.912 722 S CB 0.255 63.469 63.200 0.022 0.000 0.790 722 S HN 0.494 nan 8.310 nan 0.000 0.504 723 K N 0.994 121.420 120.400 0.043 0.000 2.393 723 K HA 0.394 4.717 4.320 0.006 0.000 0.193 723 K C 0.797 177.424 176.600 0.046 0.000 1.026 723 K CA 0.334 56.649 56.287 0.046 0.000 1.064 723 K CB 0.622 33.160 32.500 0.063 0.000 0.833 723 K HN 0.494 nan 8.250 nan 0.000 0.521 724 G N 0.878 109.705 108.800 0.045 0.000 2.328 724 G HA2 0.304 4.267 3.960 0.006 0.000 0.295 724 G HA3 0.304 4.267 3.960 0.006 0.000 0.295 724 G C -2.167 172.758 174.900 0.042 0.000 1.413 724 G CA -0.812 44.313 45.100 0.041 0.000 0.817 724 G HN -0.073 nan 8.290 nan 0.000 0.546 725 K N -0.575 119.849 120.400 0.040 0.000 2.513 725 K HA 0.764 5.088 4.320 0.006 0.000 0.251 725 K C -0.517 176.114 176.600 0.051 0.000 0.939 725 K CA -0.275 56.039 56.287 0.045 0.000 0.793 725 K CB 2.025 34.550 32.500 0.041 0.000 1.241 725 K HN 1.557 nan 8.250 nan 0.000 0.431 726 V N -0.454 119.497 119.914 0.061 0.000 3.167 726 V HA 0.656 4.780 4.120 0.006 0.000 0.310 726 V C -1.391 174.768 176.094 0.108 0.000 1.207 726 V CA -0.863 61.483 62.300 0.076 0.000 1.059 726 V CB 2.050 33.912 31.823 0.065 0.000 1.079 726 V HN 0.769 nan 8.190 nan 0.000 0.446 727 Q N 1.209 121.095 119.800 0.144 0.000 2.337 727 Q HA 0.765 5.108 4.340 0.006 0.000 0.266 727 Q C -1.538 174.591 176.000 0.215 0.000 1.023 727 Q CA -0.595 55.350 55.803 0.237 0.000 0.829 727 Q CB 2.586 31.488 28.738 0.274 0.000 1.306 727 Q HN 0.716 nan 8.270 nan 0.000 0.449 728 L N 3.541 124.911 121.223 0.246 0.000 2.349 728 L HA 0.514 4.857 4.340 0.006 0.000 0.278 728 L C -1.285 175.737 176.870 0.253 0.000 0.996 728 L CA -0.805 54.151 54.840 0.192 0.000 0.825 728 L CB 1.098 43.228 42.059 0.119 0.000 1.243 728 L HN 0.331 nan 8.230 nan 0.000 0.412 729 L N 2.699 124.056 121.223 0.224 0.000 2.346 729 L HA 0.935 5.278 4.340 0.006 0.000 0.276 729 L C 0.390 177.371 176.870 0.186 0.000 1.006 729 L CA -0.099 54.871 54.840 0.216 0.000 0.817 729 L CB 1.948 44.154 42.059 0.245 0.000 1.272 729 L HN 0.616 nan 8.230 nan 0.000 0.421 730 G N 0.270 109.148 108.800 0.131 0.000 2.690 730 G HA2 0.769 4.732 3.960 0.006 0.000 0.291 730 G HA3 0.769 4.732 3.960 0.006 0.000 0.291 730 G C -1.492 173.461 174.900 0.088 0.000 1.403 730 G CA -0.254 44.922 45.100 0.128 0.000 0.864 730 G HN 0.682 nan 8.290 nan 0.000 0.480 731 S N -1.066 114.718 115.700 0.142 0.000 2.638 731 S HA 0.886 5.359 4.470 0.006 0.000 0.274 731 S C 0.754 175.428 174.600 0.123 0.000 1.157 731 S CA 0.510 58.780 58.200 0.116 0.000 0.826 731 S CB 1.306 64.641 63.200 0.224 0.000 1.139 731 S HN 2.682 nan 8.310 nan 0.000 0.474 732 G N 1.927 110.788 108.800 0.101 0.000 2.581 732 G HA2 -0.335 3.629 3.960 0.006 0.000 0.291 732 G HA3 -0.335 3.629 3.960 0.006 0.000 0.291 732 G C 1.067 176.021 174.900 0.089 0.000 1.277 732 G CA 1.498 46.675 45.100 0.128 0.000 0.959 732 G HN 2.216 nan 8.290 nan 0.000 0.554 733 S N -0.619 115.168 115.700 0.144 0.000 2.474 733 S HA 0.044 4.517 4.470 0.006 0.000 0.235 733 S C 2.155 176.835 174.600 0.133 0.000 0.997 733 S CA 1.662 59.961 58.200 0.166 0.000 0.949 733 S CB 0.010 63.336 63.200 0.211 0.000 0.766 733 S HN 0.575 nan 8.310 nan 0.000 0.517 734 I N 1.171 121.820 120.570 0.132 0.000 2.876 734 I HA 0.129 4.302 4.170 0.006 0.000 0.264 734 I C 2.128 178.316 176.117 0.119 0.000 1.204 734 I CA 0.204 61.620 61.300 0.194 0.000 1.485 734 I CB -1.307 36.760 38.000 0.112 0.000 1.103 734 I HN 0.339 nan 8.210 nan 0.000 0.446 735 L N 2.331 123.553 121.223 -0.001 0.000 2.043 735 L HA -0.229 4.114 4.340 0.006 0.000 0.212 735 L C 2.841 179.651 176.870 -0.100 0.000 1.075 735 L CA 1.989 56.791 54.840 -0.063 0.000 0.752 735 L CB -0.644 41.307 42.059 -0.179 0.000 0.891 735 L HN 0.329 nan 8.230 nan 0.000 0.432 736 R N -1.953 118.403 120.500 -0.240 0.000 2.152 736 R HA -0.176 4.167 4.340 0.006 0.000 0.232 736 R C 1.921 178.033 176.300 -0.314 0.000 1.117 736 R CA 1.711 57.629 56.100 -0.302 0.000 0.981 736 R CB -1.021 28.957 30.300 -0.536 0.000 0.870 736 R HN 0.550 nan 8.270 nan 0.000 0.451 737 H N 0.148 119.185 119.070 -0.055 0.000 2.436 737 H HA 0.053 4.613 4.556 0.006 0.000 0.294 737 H C 2.237 177.563 175.328 -0.004 0.000 1.048 737 H CA 1.336 57.372 56.048 -0.019 0.000 1.353 737 H CB 0.246 30.003 29.762 -0.008 0.000 1.414 737 H HN 0.074 nan 8.280 nan 0.000 0.536 738 V N 1.389 121.356 119.914 0.089 0.000 2.427 738 V HA -0.207 3.916 4.120 0.006 0.000 0.248 738 V C 2.460 178.581 176.094 0.045 0.000 1.051 738 V CA 1.453 63.795 62.300 0.070 0.000 1.048 738 V CB -0.315 31.551 31.823 0.072 0.000 0.666 738 V HN 0.336 nan 8.190 nan 0.000 0.456 739 R N 0.027 120.540 120.500 0.022 0.000 2.092 739 R HA -0.192 4.152 4.340 0.006 0.000 0.231 739 R C 2.338 178.650 176.300 0.020 0.000 1.119 739 R CA 1.601 57.715 56.100 0.023 0.000 0.970 739 R CB -0.310 30.007 30.300 0.028 0.000 0.864 739 R HN 0.697 nan 8.270 nan 0.000 0.440 740 E N 1.208 121.411 120.200 0.005 0.000 2.077 740 E HA -0.202 4.151 4.350 0.006 0.000 0.193 740 E C 1.938 178.560 176.600 0.037 0.000 0.989 740 E CA 1.318 57.726 56.400 0.014 0.000 0.800 740 E CB -0.065 29.641 29.700 0.009 0.000 0.746 740 E HN 0.338 nan 8.360 nan 0.000 0.452 741 A N 1.251 124.095 122.820 0.040 0.000 1.933 741 A HA -0.074 4.250 4.320 0.006 0.000 0.218 741 A C 2.453 180.076 177.584 0.065 0.000 1.175 741 A CA 1.792 53.855 52.037 0.044 0.000 0.628 741 A CB -0.879 18.143 19.000 0.037 0.000 0.814 741 A HN 0.458 nan 8.150 nan 0.000 0.444 742 A N -0.199 122.655 122.820 0.056 0.000 1.883 742 A HA -0.193 4.130 4.320 0.006 0.000 0.217 742 A C 1.953 179.576 177.584 0.064 0.000 1.186 742 A CA 1.809 53.880 52.037 0.057 0.000 0.624 742 A CB -0.486 18.538 19.000 0.040 0.000 0.822 742 A HN 0.476 nan 8.150 nan 0.000 0.444 743 E N 0.033 120.267 120.200 0.057 0.000 2.058 743 E HA -0.186 4.167 4.350 0.006 0.000 0.194 743 E C 2.034 178.685 176.600 0.085 0.000 0.997 743 E CA 1.350 57.784 56.400 0.057 0.000 0.801 743 E CB -0.529 29.198 29.700 0.044 0.000 0.746 743 E HN 0.742 nan 8.360 nan 0.000 0.450 744 I N 0.879 121.515 120.570 0.111 0.000 2.163 744 I HA -0.289 3.884 4.170 0.006 0.000 0.243 744 I C 2.584 178.851 176.117 0.251 0.000 1.085 744 I CA 0.911 62.317 61.300 0.177 0.000 1.347 744 I CB -0.338 37.791 38.000 0.215 0.000 1.044 744 I HN 0.045 nan 8.210 nan 0.000 0.408 745 L N 0.468 121.827 121.223 0.226 0.000 2.042 745 L HA -0.242 4.101 4.340 0.006 0.000 0.210 745 L C 2.802 179.803 176.870 0.217 0.000 1.076 745 L CA 1.545 56.539 54.840 0.257 0.000 0.749 745 L CB -0.617 41.524 42.059 0.137 0.000 0.893 745 L HN 0.270 nan 8.230 nan 0.000 0.432 746 A N -0.544 122.356 122.820 0.133 0.000 1.854 746 A HA -0.136 4.187 4.320 0.006 0.000 0.214 746 A C 2.282 179.908 177.584 0.069 0.000 1.192 746 A CA 1.239 53.331 52.037 0.090 0.000 0.611 746 A CB -0.213 18.824 19.000 0.060 0.000 0.832 746 A HN 0.168 nan 8.150 nan 0.000 0.442 747 K N -0.107 120.328 120.400 0.058 0.000 2.167 747 K HA -0.041 4.283 4.320 0.006 0.000 0.203 747 K C 0.871 177.449 176.600 -0.036 0.000 1.052 747 K CA 1.392 57.690 56.287 0.017 0.000 0.956 747 K CB -0.314 32.198 32.500 0.020 0.000 0.735 747 K HN 0.452 nan 8.250 nan 0.000 0.451 748 D N -1.135 119.229 120.400 -0.059 0.000 2.324 748 D HA 0.005 4.648 4.640 0.006 0.000 0.212 748 D C 0.809 176.755 176.300 -0.590 0.000 0.984 748 D CA 0.735 54.533 54.000 -0.336 0.000 0.885 748 D CB 0.164 40.720 40.800 -0.407 0.000 0.996 748 D HN 0.204 nan 8.370 nan 0.000 0.505 749 Y N -0.927 119.394 120.300 0.035 0.000 2.588 749 Y HA 0.362 4.916 4.550 0.006 0.000 0.247 749 Y C 1.593 177.508 175.900 0.024 0.000 1.157 749 Y CA -0.159 57.958 58.100 0.027 0.000 1.215 749 Y CB 0.932 39.413 38.460 0.035 0.000 1.245 749 Y HN -0.038 nan 8.280 nan 0.000 0.534 750 G N 0.905 109.775 108.800 0.116 0.000 2.187 750 G HA2 -0.289 3.675 3.960 0.006 0.000 0.261 750 G HA3 -0.289 3.675 3.960 0.006 0.000 0.261 750 G C -0.149 174.807 174.900 0.094 0.000 1.000 750 G CA 0.448 45.597 45.100 0.082 0.000 0.718 750 G HN 0.157 nan 8.290 nan 0.000 0.519 751 V N 1.011 121.002 119.914 0.129 0.000 2.385 751 V HA 0.643 4.766 4.120 0.006 0.000 0.269 751 V C 1.286 177.427 176.094 0.078 0.000 1.043 751 V CA 0.069 62.428 62.300 0.098 0.000 0.906 751 V CB 1.100 32.983 31.823 0.100 0.000 0.995 751 V HN 0.602 nan 8.190 nan 0.000 0.467 752 G N 3.841 112.675 108.800 0.058 0.000 2.547 752 G HA2 0.672 4.636 3.960 0.006 0.000 0.291 752 G HA3 0.672 4.636 3.960 0.006 0.000 0.291 752 G C -0.210 174.717 174.900 0.044 0.000 1.211 752 G CA 0.208 45.336 45.100 0.045 0.000 0.950 752 G HN 1.025 nan 8.290 nan 0.000 0.504 753 S N -0.903 114.816 115.700 0.032 0.000 2.587 753 S HA 0.472 4.945 4.470 0.006 0.000 0.269 753 S C -2.024 172.574 174.600 -0.004 0.000 1.154 753 S CA -1.012 57.208 58.200 0.033 0.000 0.824 753 S CB 2.276 65.503 63.200 0.046 0.000 1.118 753 S HN 0.423 nan 8.310 nan 0.000 0.462 754 D N 1.046 121.442 120.400 -0.007 0.000 2.256 754 D HA 0.571 5.214 4.640 0.006 0.000 0.240 754 D C -0.778 175.389 176.300 -0.221 0.000 1.062 754 D CA -0.188 53.718 54.000 -0.157 0.000 0.832 754 D CB 1.989 42.723 40.800 -0.110 0.000 1.135 754 D HN 0.426 nan 8.370 nan 0.000 0.484 755 V N 3.331 123.039 119.914 -0.343 0.000 2.459 755 V HA 0.348 4.472 4.120 0.006 0.000 0.295 755 V C -0.876 174.983 176.094 -0.392 0.000 1.029 755 V CA -0.680 61.496 62.300 -0.208 0.000 0.874 755 V CB 0.830 32.603 31.823 -0.083 0.000 0.985 755 V HN 0.369 nan 8.190 nan 0.000 0.438 756 Y N 1.702 121.963 120.300 -0.065 0.000 2.409 756 Y HA 0.554 5.107 4.550 0.006 0.000 0.343 756 Y C 0.464 176.229 175.900 -0.226 0.000 0.973 756 Y CA -0.678 57.328 58.100 -0.157 0.000 1.064 756 Y CB 2.162 40.551 38.460 -0.118 0.000 1.207 756 Y HN 0.533 nan 8.280 nan 0.000 0.452 757 S N 2.206 117.725 115.700 -0.302 0.000 2.438 757 S HA 0.559 5.032 4.470 0.006 0.000 0.293 757 S C -1.023 173.431 174.600 -0.243 0.000 1.141 757 S CA -0.562 57.452 58.200 -0.310 0.000 1.080 757 S CB 0.105 63.029 63.200 -0.461 0.000 0.978 757 S HN 0.451 nan 8.310 nan 0.000 0.479 758 V N 6.330 126.129 119.914 -0.190 0.000 2.304 758 V HA 0.227 4.350 4.120 0.006 0.000 0.269 758 V C 1.481 177.469 176.094 -0.177 0.000 1.036 758 V CA -0.210 61.901 62.300 -0.316 0.000 0.840 758 V CB 0.482 31.818 31.823 -0.810 0.000 1.036 758 V HN 1.078 nan 8.190 nan 0.000 0.466 759 T N -0.091 114.451 114.554 -0.019 0.000 3.023 759 T HA 0.019 4.372 4.350 0.006 0.000 0.266 759 T C 0.856 175.622 174.700 0.110 0.000 1.093 759 T CA 0.765 62.945 62.100 0.133 0.000 1.129 759 T CB 0.231 69.276 68.868 0.295 0.000 0.899 759 T HN 0.580 nan 8.240 nan 0.000 0.491 760 S N -0.424 115.211 115.700 -0.109 0.000 2.446 760 S HA 0.437 4.910 4.470 0.006 0.000 0.230 760 S C -0.210 174.185 174.600 -0.342 0.000 1.051 760 S CA -0.825 57.226 58.200 -0.248 0.000 1.113 760 S CB -0.355 62.545 63.200 -0.501 0.000 1.184 760 S HN 0.159 nan 8.310 nan 0.000 0.435 761 F N 2.426 122.101 119.950 -0.459 0.000 2.171 761 F HA -0.042 4.488 4.527 0.006 0.000 0.300 761 F C 2.651 178.240 175.800 -0.352 0.000 1.090 761 F CA 1.840 59.530 58.000 -0.517 0.000 1.293 761 F CB -0.361 38.035 39.000 -1.006 0.000 1.013 761 F HN 0.502 nan 8.300 nan 0.000 0.486 762 T N -0.915 113.568 114.554 -0.117 0.000 2.777 762 T HA -0.144 4.209 4.350 0.006 0.000 0.266 762 T C 1.844 176.473 174.700 -0.120 0.000 1.040 762 T CA 1.290 63.358 62.100 -0.054 0.000 1.141 762 T CB -0.152 68.732 68.868 0.027 0.000 0.868 762 T HN 0.122 nan 8.240 nan 0.000 0.444 763 E N 1.032 121.104 120.200 -0.212 0.000 2.150 763 E HA 0.035 4.388 4.350 0.006 0.000 0.193 763 E C 2.269 178.765 176.600 -0.172 0.000 0.985 763 E CA 0.556 56.820 56.400 -0.227 0.000 0.814 763 E CB -0.344 29.161 29.700 -0.325 0.000 0.752 763 E HN 0.472 nan 8.360 nan 0.000 0.466 764 L N 0.321 121.454 121.223 -0.151 0.000 2.093 764 L HA -0.131 4.212 4.340 0.006 0.000 0.208 764 L C 2.504 179.319 176.870 -0.091 0.000 1.085 764 L CA 1.111 55.889 54.840 -0.103 0.000 0.755 764 L CB -0.468 41.540 42.059 -0.085 0.000 0.904 764 L HN 0.047 nan 8.230 nan 0.000 0.435 765 A N 0.109 122.911 122.820 -0.030 0.000 1.902 765 A HA -0.191 4.132 4.320 0.006 0.000 0.217 765 A C 2.389 179.916 177.584 -0.095 0.000 1.181 765 A CA 1.404 53.464 52.037 0.037 0.000 0.623 765 A CB -0.418 18.644 19.000 0.104 0.000 0.818 765 A HN 0.307 nan 8.150 nan 0.000 0.443 766 R N -0.640 119.800 120.500 -0.099 0.000 2.075 766 R HA -0.138 4.206 4.340 0.006 0.000 0.232 766 R C 2.026 178.227 176.300 -0.165 0.000 1.126 766 R CA 1.587 57.621 56.100 -0.110 0.000 0.963 766 R CB -0.414 29.826 30.300 -0.100 0.000 0.858 766 R HN 0.736 nan 8.270 nan 0.000 0.435 767 D N -0.377 119.911 120.400 -0.187 0.000 2.117 767 D HA -0.111 4.532 4.640 0.006 0.000 0.197 767 D C 1.935 178.054 176.300 -0.302 0.000 0.987 767 D CA 1.517 55.403 54.000 -0.190 0.000 0.829 767 D CB -0.200 40.511 40.800 -0.148 0.000 0.961 767 D HN 0.223 nan 8.370 nan 0.000 0.460 768 G N -0.337 108.134 108.800 -0.547 0.000 2.421 768 G HA2 -0.297 3.666 3.960 0.006 0.000 0.216 768 G HA3 -0.297 3.666 3.960 0.006 0.000 0.216 768 G C 1.626 175.969 174.900 -0.929 0.000 1.171 768 G CA 0.802 45.189 45.100 -1.189 0.000 0.775 768 G HN 0.351 nan 8.290 nan 0.000 0.543 769 Q N 0.165 119.636 119.800 -0.548 0.000 2.096 769 Q HA -0.112 4.231 4.340 0.006 0.000 0.204 769 Q C 2.214 178.178 176.000 -0.060 0.000 0.982 769 Q CA 1.451 57.184 55.803 -0.116 0.000 0.850 769 Q CB -0.114 28.622 28.738 -0.002 0.000 0.901 769 Q HN 0.344 nan 8.270 nan 0.000 0.422 770 D N -0.101 120.245 120.400 -0.090 0.000 2.144 770 D HA -0.123 4.520 4.640 0.006 0.000 0.199 770 D C 1.854 178.174 176.300 0.032 0.000 0.984 770 D CA 0.808 54.798 54.000 -0.017 0.000 0.834 770 D CB -0.356 40.415 40.800 -0.047 0.000 0.955 770 D HN 0.259 nan 8.370 nan 0.000 0.465 771 C N 0.940 120.217 119.300 -0.038 0.000 2.453 771 C HA -0.049 4.415 4.460 0.006 0.000 0.277 771 C C 2.478 177.547 174.990 0.133 0.000 1.262 771 C CA 0.462 59.495 59.018 0.025 0.000 1.718 771 C CB -0.452 27.257 27.740 -0.052 0.000 2.031 771 C HN 0.303 nan 8.230 nan 0.000 0.480 772 E N 0.504 120.764 120.200 0.100 0.000 2.152 772 E HA -0.119 4.235 4.350 0.006 0.000 0.192 772 E C 2.177 178.864 176.600 0.144 0.000 0.983 772 E CA 0.569 57.058 56.400 0.149 0.000 0.818 772 E CB -0.524 29.291 29.700 0.191 0.000 0.758 772 E HN 0.640 nan 8.360 nan 0.000 0.467 773 R N -0.338 120.242 120.500 0.134 0.000 2.070 773 R HA -0.178 4.165 4.340 0.006 0.000 0.233 773 R C 2.189 178.589 176.300 0.167 0.000 1.137 773 R CA 1.742 57.914 56.100 0.120 0.000 0.945 773 R CB -0.605 29.757 30.300 0.104 0.000 0.845 773 R HN 0.219 nan 8.270 nan 0.000 0.430 774 W N 2.179 123.518 121.300 0.065 0.000 2.335 774 W HA -0.191 4.472 4.660 0.006 0.000 0.311 774 W C 1.726 178.366 176.519 0.202 0.000 1.213 774 W CA 1.957 59.380 57.345 0.131 0.000 1.274 774 W CB -0.287 29.181 29.460 0.014 0.000 1.148 774 W HN 0.220 nan 8.180 nan 0.000 0.498 775 N N 0.126 119.052 118.700 0.377 0.000 2.104 775 N HA -0.261 4.482 4.740 0.006 0.000 0.190 775 N C 1.793 177.321 175.510 0.031 0.000 1.024 775 N CA 2.122 55.307 53.050 0.225 0.000 0.853 775 N CB -1.213 37.414 38.487 0.233 0.000 1.008 775 N HN 0.387 nan 8.380 nan 0.000 0.424 776 M N 0.231 119.848 119.600 0.028 0.000 2.159 776 M HA -0.062 4.421 4.480 0.006 0.000 0.263 776 M C 1.184 177.410 176.300 -0.124 0.000 1.063 776 M CA 1.406 56.690 55.300 -0.028 0.000 1.110 776 M CB 0.018 32.616 32.600 -0.004 0.000 1.374 776 M HN 0.024 nan 8.290 nan 0.000 0.411 777 L N -0.769 120.336 121.223 -0.197 0.000 2.554 777 L HA -0.009 4.335 4.340 0.006 0.000 0.226 777 L C 0.092 176.468 176.870 -0.824 0.000 1.137 777 L CA 0.257 54.847 54.840 -0.417 0.000 0.863 777 L CB -0.353 41.468 42.059 -0.397 0.000 0.985 777 L HN 0.400 nan 8.230 nan 0.000 0.451 778 H N -1.412 117.351 119.070 -0.512 0.000 2.511 778 H HA 0.150 4.709 4.556 0.006 0.000 0.228 778 H C -1.669 173.474 175.328 -0.307 0.000 1.424 778 H CA -1.341 54.377 56.048 -0.551 0.000 1.321 778 H CB 0.235 29.285 29.762 -1.186 0.000 1.720 778 H HN -0.086 nan 8.280 nan 0.000 0.512 779 P HA -0.166 nan 4.420 nan 0.000 0.221 779 P C 0.840 178.128 177.300 -0.021 0.000 1.145 779 P CA 1.123 64.186 63.100 -0.061 0.000 0.795 779 P CB 0.566 32.224 31.700 -0.069 0.000 0.775 780 L N -1.626 119.585 121.223 -0.021 0.000 2.554 780 L HA 0.187 4.530 4.340 0.006 0.000 0.225 780 L C 1.466 178.363 176.870 0.045 0.000 1.104 780 L CA 0.079 54.924 54.840 0.009 0.000 0.866 780 L CB -0.466 41.593 42.059 -0.000 0.000 1.047 780 L HN -0.072 nan 8.230 nan 0.000 0.468 781 E N 0.378 120.619 120.200 0.068 0.000 2.322 781 E HA 0.189 4.543 4.350 0.006 0.000 0.257 781 E C -0.214 176.498 176.600 0.188 0.000 1.155 781 E CA -0.523 55.966 56.400 0.148 0.000 0.936 781 E CB 0.737 30.577 29.700 0.234 0.000 1.130 781 E HN -0.088 nan 8.360 nan 0.000 0.465 782 T N 3.720 118.397 114.554 0.204 0.000 2.793 782 T HA 0.090 4.444 4.350 0.006 0.000 0.289 782 T C -2.196 172.641 174.700 0.229 0.000 0.956 782 T CA -0.918 61.276 62.100 0.158 0.000 1.177 782 T CB -0.038 68.888 68.868 0.096 0.000 0.897 782 T HN 0.179 nan 8.240 nan 0.000 0.533 783 P HA 0.192 nan 4.420 nan 0.000 0.267 783 P C 0.064 177.441 177.300 0.127 0.000 1.200 783 P CA -0.264 62.957 63.100 0.202 0.000 0.772 783 P CB 0.582 32.357 31.700 0.125 0.000 0.855 784 R N 1.063 121.642 120.500 0.131 0.000 2.404 784 R HA 0.457 4.800 4.340 0.006 0.000 0.291 784 R C -0.803 175.499 176.300 0.004 0.000 1.025 784 R CA -0.826 55.264 56.100 -0.018 0.000 0.991 784 R CB 0.902 31.123 30.300 -0.132 0.000 1.053 784 R HN 0.235 nan 8.270 nan 0.000 0.479 785 V N 5.085 124.981 119.914 -0.030 0.000 2.370 785 V HA 0.251 4.374 4.120 0.006 0.000 0.283 785 V C -2.109 173.965 176.094 -0.034 0.000 1.023 785 V CA -2.291 59.997 62.300 -0.020 0.000 0.857 785 V CB 1.383 33.188 31.823 -0.030 0.000 0.985 785 V HN 0.677 nan 8.190 nan 0.000 0.443 786 P HA -0.002 nan 4.420 nan 0.000 0.264 786 P C 0.412 177.703 177.300 -0.014 0.000 1.193 786 P CA 0.192 63.260 63.100 -0.054 0.000 0.763 786 P CB 0.343 32.003 31.700 -0.066 0.000 0.810 787 Y N 4.157 124.396 120.300 -0.102 0.000 2.102 787 Y HA -0.268 4.286 4.550 0.006 0.000 0.280 787 Y C 2.024 177.882 175.900 -0.069 0.000 1.178 787 Y CA 1.640 59.695 58.100 -0.075 0.000 1.146 787 Y CB -0.504 37.911 38.460 -0.074 0.000 0.968 787 Y HN 0.339 nan 8.280 nan 0.000 0.504 788 I N -0.378 120.215 120.570 0.038 0.000 2.454 788 I HA -0.282 3.891 4.170 0.006 0.000 0.254 788 I C 2.154 178.188 176.117 -0.138 0.000 1.156 788 I CA 1.460 62.724 61.300 -0.059 0.000 1.433 788 I CB -0.275 37.698 38.000 -0.045 0.000 1.082 788 I HN 0.346 nan 8.210 nan 0.000 0.432 789 A N -0.562 122.199 122.820 -0.099 0.000 2.169 789 A HA -0.089 4.234 4.320 0.006 0.000 0.212 789 A C 1.987 179.498 177.584 -0.122 0.000 1.153 789 A CA 0.604 52.584 52.037 -0.095 0.000 0.756 789 A CB -0.270 18.706 19.000 -0.040 0.000 0.813 789 A HN 0.580 nan 8.150 nan 0.000 0.471 790 Q N -0.914 118.772 119.800 -0.190 0.000 2.360 790 Q HA 0.135 4.478 4.340 0.006 0.000 0.202 790 Q C 1.091 176.956 176.000 -0.225 0.000 0.915 790 Q CA 0.432 56.106 55.803 -0.214 0.000 0.943 790 Q CB 0.479 29.039 28.738 -0.297 0.000 1.064 790 Q HN 0.497 nan 8.270 nan 0.000 0.511 791 V N -0.619 119.167 119.914 -0.213 0.000 3.090 791 V HA 0.130 4.253 4.120 0.006 0.000 0.237 791 V C 0.783 176.871 176.094 -0.010 0.000 1.209 791 V CA 0.474 62.712 62.300 -0.103 0.000 1.209 791 V CB 0.383 32.135 31.823 -0.118 0.000 0.971 791 V HN 0.247 nan 8.190 nan 0.000 0.477 792 M N 1.637 121.135 119.600 -0.169 0.000 2.291 792 M HA 0.317 4.800 4.480 0.006 0.000 0.324 792 M C 0.261 176.529 176.300 -0.052 0.000 1.148 792 M CA 0.032 55.210 55.300 -0.202 0.000 1.104 792 M CB 1.015 33.402 32.600 -0.356 0.000 1.483 792 M HN 0.518 nan 8.290 nan 0.000 0.467 793 N N -0.242 118.465 118.700 0.013 0.000 2.938 793 N HA 0.286 5.029 4.740 0.006 0.000 0.335 793 N C -0.313 175.198 175.510 0.002 0.000 1.358 793 N CA -0.662 52.400 53.050 0.019 0.000 0.812 793 N CB 0.259 38.779 38.487 0.055 0.000 1.233 793 N HN 0.615 nan 8.380 nan 0.000 0.593 794 D N -1.687 118.720 120.400 0.013 0.000 2.349 794 D HA 0.173 4.816 4.640 0.006 0.000 0.214 794 D C -0.024 176.290 176.300 0.023 0.000 1.063 794 D CA -0.430 53.575 54.000 0.008 0.000 0.847 794 D CB -0.475 40.328 40.800 0.005 0.000 0.933 794 D HN 0.638 nan 8.370 nan 0.000 0.513 795 A N 2.221 125.065 122.820 0.040 0.000 2.483 795 A HA 0.360 4.684 4.320 0.006 0.000 0.238 795 A C -2.087 175.532 177.584 0.057 0.000 1.070 795 A CA -0.960 51.107 52.037 0.050 0.000 0.770 795 A CB -0.227 18.811 19.000 0.064 0.000 1.008 795 A HN 0.110 nan 8.150 nan 0.000 0.497 796 P HA 0.229 nan 4.420 nan 0.000 0.265 796 P C -0.459 176.895 177.300 0.091 0.000 1.187 796 P CA 0.529 63.668 63.100 0.065 0.000 0.766 796 P CB 0.687 32.415 31.700 0.047 0.000 0.820 797 A N 3.157 126.054 122.820 0.129 0.000 2.380 797 A HA 0.678 5.002 4.320 0.006 0.000 0.315 797 A C -0.917 176.750 177.584 0.139 0.000 1.101 797 A CA -0.685 51.456 52.037 0.174 0.000 0.771 797 A CB 1.585 20.736 19.000 0.251 0.000 1.287 797 A HN 0.330 nan 8.150 nan 0.000 0.436 798 V N 0.661 120.640 119.914 0.109 0.000 2.588 798 V HA 0.754 4.878 4.120 0.006 0.000 0.304 798 V C 0.118 176.243 176.094 0.052 0.000 1.042 798 V CA -0.199 62.112 62.300 0.019 0.000 0.877 798 V CB 1.563 33.400 31.823 0.022 0.000 0.996 798 V HN 1.389 nan 8.190 nan 0.000 0.425 799 A N 3.040 125.829 122.820 -0.050 0.000 2.365 799 A HA 0.920 5.243 4.320 0.006 0.000 0.318 799 A C -0.496 177.083 177.584 -0.010 0.000 1.091 799 A CA -0.578 51.488 52.037 0.047 0.000 0.763 799 A CB 2.020 21.086 19.000 0.110 0.000 1.248 799 A HN 0.792 nan 8.150 nan 0.000 0.442 800 S N 0.349 116.088 115.700 0.066 0.000 2.571 800 S HA 0.826 5.299 4.470 0.006 0.000 0.284 800 S C -0.345 174.316 174.600 0.103 0.000 1.128 800 S CA 0.271 58.497 58.200 0.043 0.000 0.970 800 S CB 1.324 64.548 63.200 0.041 0.000 1.039 800 S HN 1.790 nan 8.310 nan 0.000 0.485 801 T N 0.589 115.198 114.554 0.091 0.000 2.812 801 T HA 0.494 4.847 4.350 0.006 0.000 0.294 801 T C -0.324 174.409 174.700 0.055 0.000 1.159 801 T CA -0.484 61.719 62.100 0.173 0.000 1.008 801 T CB 1.470 70.569 68.868 0.386 0.000 1.289 801 T HN 0.318 nan 8.240 nan 0.000 0.514 802 D N -0.829 119.575 120.400 0.006 0.000 2.328 802 D HA 0.260 4.903 4.640 0.006 0.000 0.221 802 D C -0.680 175.268 176.300 -0.588 0.000 1.072 802 D CA 0.069 53.906 54.000 -0.273 0.000 0.850 802 D CB -0.201 40.419 40.800 -0.299 0.000 0.922 802 D HN 0.449 nan 8.370 nan 0.000 0.516 803 Y N -0.025 120.230 120.300 -0.076 0.000 2.602 803 Y HA 0.342 4.895 4.550 0.005 0.000 0.330 803 Y C 1.003 176.856 175.900 -0.079 0.000 1.114 803 Y CA -1.474 56.555 58.100 -0.118 0.000 1.182 803 Y CB 0.674 38.992 38.460 -0.238 0.000 1.305 803 Y HN -0.195 nan 8.280 nan 0.000 0.502 804 M N -0.043 119.604 119.600 0.078 0.000 2.245 804 M HA 0.144 4.628 4.480 0.006 0.000 0.312 804 M C 0.548 176.869 176.300 0.036 0.000 1.070 804 M CA 0.049 55.360 55.300 0.018 0.000 1.162 804 M CB 0.434 33.039 32.600 0.009 0.000 1.448 804 M HN 0.677 nan 8.290 nan 0.000 0.446 805 K N 0.595 120.980 120.400 -0.024 0.000 2.089 805 K HA -0.194 4.130 4.320 0.006 0.000 0.210 805 K C 1.767 178.327 176.600 -0.067 0.000 1.048 805 K CA 1.601 57.849 56.287 -0.064 0.000 0.926 805 K CB -0.487 31.963 32.500 -0.084 0.000 0.714 805 K HN 0.618 nan 8.250 nan 0.000 0.448 806 L N 0.693 121.903 121.223 -0.023 0.000 2.189 806 L HA -0.179 4.164 4.340 0.006 0.000 0.214 806 L C 1.885 178.759 176.870 0.005 0.000 1.097 806 L CA 1.455 56.287 54.840 -0.013 0.000 0.764 806 L CB -0.524 41.542 42.059 0.011 0.000 0.900 806 L HN 0.110 nan 8.230 nan 0.000 0.436 807 F N 0.084 119.944 119.950 -0.150 0.000 2.134 807 F HA -0.154 4.376 4.527 0.006 0.000 0.299 807 F C 2.196 177.693 175.800 -0.505 0.000 1.097 807 F CA 1.466 59.341 58.000 -0.210 0.000 1.264 807 F CB -0.612 38.307 39.000 -0.135 0.000 1.001 807 F HN 0.145 nan 8.300 nan 0.000 0.479 808 A N -0.645 121.725 122.820 -0.751 0.000 1.984 808 A HA 0.008 4.331 4.320 0.006 0.000 0.214 808 A C 2.097 179.401 177.584 -0.466 0.000 1.173 808 A CA 0.782 52.002 52.037 -1.362 0.000 0.673 808 A CB -0.623 17.767 19.000 -1.016 0.000 0.830 808 A HN 0.423 nan 8.150 nan 0.000 0.453 809 E N 0.370 120.431 120.200 -0.232 0.000 2.204 809 E HA -0.246 4.108 4.350 0.006 0.000 0.195 809 E C 2.120 178.726 176.600 0.010 0.000 0.990 809 E CA 1.188 57.566 56.400 -0.036 0.000 0.821 809 E CB -0.181 29.481 29.700 -0.062 0.000 0.750 809 E HN 0.915 nan 8.360 nan 0.000 0.477 810 Q N 0.480 120.255 119.800 -0.043 0.000 2.297 810 Q HA -0.130 4.213 4.340 0.006 0.000 0.208 810 Q C 1.867 177.902 176.000 0.058 0.000 0.981 810 Q CA 1.680 57.488 55.803 0.008 0.000 0.876 810 Q CB -0.394 28.353 28.738 0.015 0.000 0.921 810 Q HN 0.302 nan 8.270 nan 0.000 0.446 811 V N -2.792 117.172 119.914 0.084 0.000 3.647 811 V HA 0.199 4.322 4.120 0.006 0.000 0.279 811 V C 2.010 178.022 176.094 -0.137 0.000 1.314 811 V CA 0.372 62.735 62.300 0.104 0.000 1.125 811 V CB -0.206 31.717 31.823 0.167 0.000 0.907 811 V HN 0.109 nan 8.190 nan 0.000 0.434 812 R N 2.350 122.785 120.500 -0.108 0.000 2.136 812 R HA -0.193 4.150 4.340 0.006 0.000 0.242 812 R C 2.120 178.230 176.300 -0.317 0.000 1.131 812 R CA 2.988 59.000 56.100 -0.147 0.000 0.937 812 R CB -1.669 28.637 30.300 0.010 0.000 0.863 812 R HN 0.539 nan 8.270 nan 0.000 0.435 813 T N -0.082 114.181 114.554 -0.486 0.000 2.685 813 T HA -0.203 4.150 4.350 0.006 0.000 0.268 813 T C 1.234 175.559 174.700 -0.625 0.000 1.034 813 T CA 2.004 63.726 62.100 -0.631 0.000 1.149 813 T CB -0.432 67.895 68.868 -0.901 0.000 0.860 813 T HN 0.381 nan 8.240 nan 0.000 0.449 814 Y N 0.394 120.644 120.300 -0.083 0.000 2.490 814 Y HA 0.373 4.927 4.550 0.006 0.000 0.281 814 Y C 0.914 176.726 175.900 -0.148 0.000 1.174 814 Y CA -1.095 56.950 58.100 -0.092 0.000 1.295 814 Y CB -0.634 37.783 38.460 -0.072 0.000 1.062 814 Y HN -0.042 nan 8.280 nan 0.000 0.522 815 V N 5.386 125.183 119.914 -0.196 0.000 2.470 815 V HA 0.061 4.185 4.120 0.006 0.000 0.276 815 V C -1.289 174.704 176.094 -0.169 0.000 1.040 815 V CA -1.288 60.851 62.300 -0.269 0.000 1.008 815 V CB 1.158 32.628 31.823 -0.589 0.000 0.990 815 V HN 0.123 nan 8.190 nan 0.000 0.477 816 P HA 0.162 nan 4.420 nan 0.000 0.263 816 P C -0.080 177.187 177.300 -0.056 0.000 1.386 816 P CA 0.294 63.350 63.100 -0.072 0.000 0.797 816 P CB 0.363 32.028 31.700 -0.058 0.000 1.381 817 A N -0.053 122.729 122.820 -0.064 0.000 2.365 817 A HA 0.433 4.757 4.320 0.006 0.000 0.318 817 A C 0.505 178.087 177.584 -0.004 0.000 1.091 817 A CA -0.485 51.540 52.037 -0.020 0.000 0.763 817 A CB 0.957 19.957 19.000 0.001 0.000 1.248 817 A HN -0.233 nan 8.150 nan 0.000 0.442 818 D N 0.221 120.626 120.400 0.009 0.000 2.348 818 D HA 0.040 4.683 4.640 0.006 0.000 0.216 818 D C -0.507 175.813 176.300 0.033 0.000 0.970 818 D CA 1.394 55.401 54.000 0.013 0.000 0.889 818 D CB 0.365 41.171 40.800 0.009 0.000 0.912 818 D HN 0.479 nan 8.370 nan 0.000 0.524 819 D N -0.623 119.809 120.400 0.054 0.000 2.549 819 D HA 0.119 4.762 4.640 0.006 0.000 0.251 819 D C -1.549 174.838 176.300 0.144 0.000 1.153 819 D CA -0.625 53.418 54.000 0.071 0.000 0.861 819 D CB 0.787 41.614 40.800 0.045 0.000 1.207 819 D HN -0.111 nan 8.370 nan 0.000 0.543 820 Y N 3.776 124.064 120.300 -0.021 0.000 2.373 820 Y HA 0.386 4.939 4.550 0.006 0.000 0.327 820 Y C -0.892 174.993 175.900 -0.024 0.000 1.036 820 Y CA -0.733 57.354 58.100 -0.022 0.000 1.265 820 Y CB 0.613 39.053 38.460 -0.034 0.000 1.108 820 Y HN 0.188 nan 8.280 nan 0.000 0.471 821 R N 4.129 124.491 120.500 -0.231 0.000 2.368 821 R HA 0.716 5.059 4.340 0.006 0.000 0.302 821 R C -1.290 174.755 176.300 -0.425 0.000 1.002 821 R CA -0.930 55.013 56.100 -0.262 0.000 0.929 821 R CB 1.810 32.039 30.300 -0.118 0.000 1.073 821 R HN 0.389 nan 8.270 nan 0.000 0.464 822 V N 5.336 125.025 119.914 -0.375 0.000 2.487 822 V HA 0.388 4.511 4.120 0.006 0.000 0.298 822 V C -0.165 175.812 176.094 -0.195 0.000 1.028 822 V CA -0.780 61.308 62.300 -0.353 0.000 0.860 822 V CB 1.756 33.334 31.823 -0.408 0.000 0.991 822 V HN 0.571 nan 8.190 nan 0.000 0.427 823 L N 3.928 125.064 121.223 -0.145 0.000 2.334 823 L HA 0.993 5.336 4.340 0.006 0.000 0.275 823 L C 0.629 177.442 176.870 -0.094 0.000 1.036 823 L CA -0.177 54.602 54.840 -0.102 0.000 0.807 823 L CB 1.852 43.870 42.059 -0.067 0.000 1.231 823 L HN 0.819 nan 8.230 nan 0.000 0.438 824 G N -0.729 108.017 108.800 -0.089 0.000 2.608 824 G HA2 0.392 4.356 3.960 0.006 0.000 0.291 824 G HA3 0.392 4.356 3.960 0.006 0.000 0.291 824 G C -0.380 174.468 174.900 -0.087 0.000 1.425 824 G CA -0.126 44.929 45.100 -0.076 0.000 0.787 824 G HN 0.496 nan 8.290 nan 0.000 0.484 825 T N -1.179 113.280 114.554 -0.158 0.000 3.284 825 T HA 0.312 4.665 4.350 0.006 0.000 0.249 825 T C -0.265 174.286 174.700 -0.249 0.000 0.944 825 T CA -0.313 61.588 62.100 -0.331 0.000 0.919 825 T CB -0.500 67.952 68.868 -0.694 0.000 1.089 825 T HN 0.289 nan 8.240 nan 0.000 0.576 826 D N 1.759 122.128 120.400 -0.052 0.000 2.525 826 D HA 0.465 5.108 4.640 0.006 0.000 0.235 826 D C 1.008 177.371 176.300 0.105 0.000 1.137 826 D CA 1.555 55.541 54.000 -0.023 0.000 0.868 826 D CB 0.150 40.933 40.800 -0.027 0.000 1.180 826 D HN 0.769 nan 8.370 nan 0.000 0.465 827 G N 0.341 109.155 108.800 0.022 0.000 2.459 827 G HA2 -0.008 3.956 3.960 0.006 0.000 0.685 827 G HA3 -0.008 3.956 3.960 0.006 0.000 0.685 827 G C -1.000 173.989 174.900 0.148 0.000 1.303 827 G CA -1.225 43.945 45.100 0.116 0.000 0.907 827 G HN 0.236 nan 8.290 nan 0.000 0.632 828 F N 1.332 121.422 119.950 0.233 0.000 2.471 828 F HA 0.510 5.040 4.527 0.005 0.000 0.353 828 F C 1.623 177.637 175.800 0.356 0.000 1.113 828 F CA 1.215 59.338 58.000 0.206 0.000 1.262 828 F CB 1.080 40.155 39.000 0.126 0.000 1.146 828 F HN 0.732 nan 8.300 nan 0.000 0.578 829 G N 2.694 111.795 108.800 0.501 0.000 2.616 829 G HA2 0.604 4.568 3.960 0.006 0.000 0.268 829 G HA3 0.604 4.568 3.960 0.006 0.000 0.268 829 G C -0.730 174.349 174.900 0.299 0.000 1.213 829 G CA -0.744 44.627 45.100 0.451 0.000 0.926 829 G HN 0.760 nan 8.290 nan 0.000 0.523 830 R N -1.684 118.945 120.500 0.216 0.000 2.712 830 R HA 0.461 4.804 4.340 0.006 0.000 0.272 830 R C -1.309 175.030 176.300 0.064 0.000 1.032 830 R CA -0.824 55.327 56.100 0.085 0.000 0.874 830 R CB 0.666 30.951 30.300 -0.025 0.000 1.256 830 R HN 0.379 nan 8.270 nan 0.000 0.468 831 S N 0.706 116.421 115.700 0.025 0.000 2.499 831 S HA 0.398 4.871 4.470 0.006 0.000 0.275 831 S C -0.652 173.949 174.600 0.002 0.000 1.257 831 S CA -0.232 57.979 58.200 0.019 0.000 1.050 831 S CB 0.512 63.717 63.200 0.008 0.000 0.937 831 S HN 0.557 nan 8.310 nan 0.000 0.490 832 D N -0.024 120.386 120.400 0.016 0.000 2.879 832 D HA 0.163 4.807 4.640 0.006 0.000 0.346 832 D C -0.788 175.529 176.300 0.029 0.000 1.390 832 D CA -0.344 53.663 54.000 0.012 0.000 0.838 832 D CB 1.081 41.878 40.800 -0.004 0.000 1.416 832 D HN 0.537 nan 8.370 nan 0.000 0.493 833 S N -0.344 115.374 115.700 0.030 0.000 2.614 833 S HA 0.366 4.840 4.470 0.006 0.000 0.265 833 S C 1.289 175.922 174.600 0.054 0.000 1.303 833 S CA -0.346 57.878 58.200 0.039 0.000 1.000 833 S CB 1.659 64.880 63.200 0.035 0.000 0.935 833 S HN 0.482 nan 8.310 nan 0.000 0.551 834 R N 0.647 121.183 120.500 0.060 0.000 2.091 834 R HA -0.132 4.211 4.340 0.006 0.000 0.238 834 R C 2.386 178.721 176.300 0.058 0.000 1.136 834 R CA 1.819 57.958 56.100 0.065 0.000 0.959 834 R CB -0.514 29.833 30.300 0.078 0.000 0.856 834 R HN 0.899 nan 8.270 nan 0.000 0.437 835 E N 0.680 120.915 120.200 0.059 0.000 2.038 835 E HA -0.217 4.136 4.350 0.006 0.000 0.195 835 E C 1.664 178.311 176.600 0.078 0.000 1.000 835 E CA 1.334 57.768 56.400 0.057 0.000 0.803 835 E CB 0.052 29.780 29.700 0.047 0.000 0.750 835 E HN 0.242 nan 8.360 nan 0.000 0.448 836 N N 0.423 119.166 118.700 0.071 0.000 2.120 836 N HA -0.145 4.598 4.740 0.006 0.000 0.188 836 N C 1.979 177.570 175.510 0.134 0.000 1.024 836 N CA 0.865 53.969 53.050 0.091 0.000 0.852 836 N CB -0.253 38.261 38.487 0.046 0.000 1.003 836 N HN 0.234 nan 8.380 nan 0.000 0.424 837 L N 0.552 121.851 121.223 0.126 0.000 2.056 837 L HA -0.059 4.285 4.340 0.006 0.000 0.207 837 L C 2.290 179.312 176.870 0.254 0.000 1.078 837 L CA 0.951 55.916 54.840 0.208 0.000 0.749 837 L CB -0.229 41.970 42.059 0.233 0.000 0.901 837 L HN 0.103 nan 8.230 nan 0.000 0.433 838 R N -1.347 119.236 120.500 0.139 0.000 2.148 838 R HA -0.169 4.175 4.340 0.006 0.000 0.227 838 R C 2.151 178.485 176.300 0.057 0.000 1.103 838 R CA 0.958 57.089 56.100 0.052 0.000 0.983 838 R CB -0.268 29.973 30.300 -0.099 0.000 0.874 838 R HN 0.348 nan 8.270 nan 0.000 0.451 839 H N -0.755 118.333 119.070 0.030 0.000 2.384 839 H HA -0.067 4.493 4.556 0.006 0.000 0.300 839 H C 1.988 177.290 175.328 -0.045 0.000 1.057 839 H CA 1.712 57.798 56.048 0.064 0.000 1.370 839 H CB 0.063 29.902 29.762 0.128 0.000 1.417 839 H HN 0.242 nan 8.280 nan 0.000 0.527 840 H N -0.829 118.204 119.070 -0.062 0.000 2.353 840 H HA -0.112 4.447 4.556 0.006 0.000 0.300 840 H C 1.078 176.153 175.328 -0.421 0.000 1.090 840 H CA 1.926 57.824 56.048 -0.250 0.000 1.327 840 H CB -0.441 29.131 29.762 -0.317 0.000 1.383 840 H HN 0.297 nan 8.280 nan 0.000 0.508 841 F N 1.298 121.091 119.950 -0.261 0.000 2.804 841 F HA 0.100 4.630 4.527 0.005 0.000 0.303 841 F C 0.352 175.873 175.800 -0.465 0.000 1.154 841 F CA 0.758 58.556 58.000 -0.337 0.000 1.401 841 F CB -0.340 38.568 39.000 -0.153 0.000 1.106 841 F HN 0.251 nan 8.300 nan 0.000 0.568 842 E N -0.715 119.113 120.200 -0.618 0.000 2.297 842 E HA -0.197 4.157 4.350 0.006 0.000 0.228 842 E C 0.658 176.867 176.600 -0.652 0.000 1.213 842 E CA 0.514 56.151 56.400 -1.271 0.000 0.712 842 E CB -1.833 27.191 29.700 -1.127 0.000 1.202 842 E HN 0.424 nan 8.360 nan 0.000 0.376 843 V N -3.058 116.657 119.914 -0.332 0.000 3.398 843 V HA 0.075 4.199 4.120 0.006 0.000 0.298 843 V C 0.676 176.742 176.094 -0.047 0.000 1.496 843 V CA 0.320 62.543 62.300 -0.129 0.000 1.044 843 V CB 0.132 31.899 31.823 -0.093 0.000 0.880 843 V HN 0.284 nan 8.190 nan 0.000 0.443 844 D N 1.506 121.897 120.400 -0.015 0.000 2.393 844 D HA 0.431 5.075 4.640 0.006 0.000 0.246 844 D C 1.625 177.975 176.300 0.083 0.000 1.275 844 D CA 0.433 54.442 54.000 0.014 0.000 0.979 844 D CB 1.179 42.016 40.800 0.063 0.000 1.101 844 D HN 0.193 nan 8.370 nan 0.000 0.505 845 A N 0.353 123.219 122.820 0.076 0.000 1.917 845 A HA -0.222 4.101 4.320 0.006 0.000 0.219 845 A C 2.251 179.752 177.584 -0.138 0.000 1.182 845 A CA 2.302 54.346 52.037 0.013 0.000 0.633 845 A CB -1.176 17.834 19.000 0.016 0.000 0.819 845 A HN 0.532 nan 8.150 nan 0.000 0.448 846 S N -1.421 114.121 115.700 -0.263 0.000 2.359 846 S HA -0.196 4.278 4.470 0.006 0.000 0.224 846 S C 1.811 176.207 174.600 -0.341 0.000 1.035 846 S CA 1.837 59.650 58.200 -0.644 0.000 1.018 846 S CB -0.574 62.289 63.200 -0.561 0.000 0.876 846 S HN 0.697 nan 8.310 nan 0.000 0.448 847 Y N 1.019 121.230 120.300 -0.148 0.000 2.314 847 Y HA -0.043 4.511 4.550 0.006 0.000 0.293 847 Y C 2.431 178.292 175.900 -0.064 0.000 1.129 847 Y CA 0.415 58.462 58.100 -0.089 0.000 1.201 847 Y CB -0.643 37.755 38.460 -0.104 0.000 0.999 847 Y HN 0.044 nan 8.280 nan 0.000 0.541 848 V N -1.131 118.831 119.914 0.080 0.000 2.343 848 V HA -0.268 3.856 4.120 0.006 0.000 0.247 848 V C 2.196 178.299 176.094 0.015 0.000 1.051 848 V CA 1.556 63.882 62.300 0.044 0.000 1.036 848 V CB -0.859 30.991 31.823 0.045 0.000 0.654 848 V HN 0.218 nan 8.190 nan 0.000 0.451 849 V N -0.349 119.557 119.914 -0.014 0.000 2.261 849 V HA -0.239 3.884 4.120 0.006 0.000 0.246 849 V C 2.445 178.532 176.094 -0.011 0.000 1.047 849 V CA 2.073 64.375 62.300 0.002 0.000 1.015 849 V CB -0.487 31.375 31.823 0.064 0.000 0.642 849 V HN 0.392 nan 8.190 nan 0.000 0.446 850 V N 0.257 120.177 119.914 0.010 0.000 2.332 850 V HA -0.307 3.817 4.120 0.006 0.000 0.248 850 V C 2.687 178.768 176.094 -0.022 0.000 1.055 850 V CA 2.173 64.466 62.300 -0.011 0.000 1.038 850 V CB -1.133 30.671 31.823 -0.033 0.000 0.651 850 V HN 0.582 nan 8.190 nan 0.000 0.450 851 A N -0.280 122.540 122.820 -0.000 0.000 1.902 851 A HA -0.100 4.224 4.320 0.006 0.000 0.217 851 A C 2.417 179.994 177.584 -0.012 0.000 1.181 851 A CA 2.082 54.118 52.037 -0.000 0.000 0.623 851 A CB -0.731 18.275 19.000 0.009 0.000 0.818 851 A HN 0.576 nan 8.150 nan 0.000 0.443 852 A N -0.166 122.647 122.820 -0.012 0.000 1.873 852 A HA -0.016 4.308 4.320 0.006 0.000 0.215 852 A C 2.171 179.734 177.584 -0.035 0.000 1.186 852 A CA 1.443 53.474 52.037 -0.010 0.000 0.616 852 A CB -0.653 18.347 19.000 0.001 0.000 0.823 852 A HN 0.463 nan 8.150 nan 0.000 0.442 853 L N -0.558 120.618 121.223 -0.079 0.000 2.042 853 L HA -0.163 4.181 4.340 0.006 0.000 0.210 853 L C 2.847 179.678 176.870 -0.065 0.000 1.076 853 L CA 1.198 55.970 54.840 -0.114 0.000 0.749 853 L CB -0.965 40.962 42.059 -0.220 0.000 0.893 853 L HN 0.497 nan 8.230 nan 0.000 0.432 854 G N -0.425 108.345 108.800 -0.049 0.000 2.442 854 G HA2 -0.252 3.712 3.960 0.006 0.000 0.219 854 G HA3 -0.252 3.712 3.960 0.006 0.000 0.219 854 G C 1.434 176.323 174.900 -0.018 0.000 1.141 854 G CA 0.732 45.813 45.100 -0.030 0.000 0.763 854 G HN 0.445 nan 8.290 nan 0.000 0.554 855 E N -0.089 120.103 120.200 -0.013 0.000 2.072 855 E HA -0.001 4.352 4.350 0.006 0.000 0.191 855 E C 2.583 179.183 176.600 0.000 0.000 0.985 855 E CA 0.442 56.841 56.400 -0.002 0.000 0.801 855 E CB -0.154 29.551 29.700 0.009 0.000 0.750 855 E HN 0.403 nan 8.360 nan 0.000 0.452 856 L N 0.570 121.790 121.223 -0.005 0.000 2.056 856 L HA -0.133 4.211 4.340 0.006 0.000 0.207 856 L C 2.610 179.479 176.870 -0.002 0.000 1.078 856 L CA 0.920 55.760 54.840 -0.000 0.000 0.749 856 L CB -0.483 41.575 42.059 -0.003 0.000 0.901 856 L HN 0.134 nan 8.230 nan 0.000 0.433 857 A N 0.127 122.941 122.820 -0.011 0.000 1.972 857 A HA -0.203 4.120 4.320 0.006 0.000 0.219 857 A C 2.264 179.846 177.584 -0.004 0.000 1.169 857 A CA 1.529 53.561 52.037 -0.008 0.000 0.635 857 A CB -0.333 18.657 19.000 -0.016 0.000 0.810 857 A HN 0.328 nan 8.150 nan 0.000 0.446 858 K N -0.836 119.561 120.400 -0.004 0.000 2.365 858 K HA -0.009 4.314 4.320 0.006 0.000 0.199 858 K C 1.462 178.063 176.600 0.002 0.000 1.045 858 K CA 0.803 57.089 56.287 -0.001 0.000 0.962 858 K CB -0.008 32.491 32.500 -0.001 0.000 0.759 858 K HN 0.390 nan 8.250 nan 0.000 0.469 859 R N -0.433 120.069 120.500 0.004 0.000 2.393 859 R HA 0.086 4.430 4.340 0.006 0.000 0.244 859 R C 0.696 177.000 176.300 0.007 0.000 0.920 859 R CA 0.374 56.478 56.100 0.007 0.000 1.076 859 R CB 0.744 31.050 30.300 0.010 0.000 1.119 859 R HN 0.222 nan 8.270 nan 0.000 0.524 860 G N 1.541 110.344 108.800 0.006 0.000 2.198 860 G HA2 -0.307 3.657 3.960 0.006 0.000 0.260 860 G HA3 -0.307 3.657 3.960 0.006 0.000 0.260 860 G C 0.521 175.427 174.900 0.010 0.000 1.025 860 G CA 0.479 45.583 45.100 0.007 0.000 0.769 860 G HN 0.459 nan 8.290 nan 0.000 0.507 861 E N -0.839 119.367 120.200 0.011 0.000 2.318 861 E HA 0.265 4.619 4.350 0.006 0.000 0.193 861 E C 1.457 178.068 176.600 0.019 0.000 0.998 861 E CA 1.099 57.508 56.400 0.015 0.000 0.859 861 E CB 0.316 30.026 29.700 0.017 0.000 0.812 861 E HN 0.920 nan 8.360 nan 0.000 0.492 862 I N -3.287 117.292 120.570 0.015 0.000 3.195 862 I HA 0.412 4.585 4.170 0.006 0.000 0.313 862 I C -1.082 175.043 176.117 0.012 0.000 1.237 862 I CA -1.222 60.090 61.300 0.020 0.000 0.963 862 I CB 2.281 40.294 38.000 0.022 0.000 1.278 862 I HN -0.369 nan 8.210 nan 0.000 0.460 863 D N 1.891 122.301 120.400 0.017 0.000 2.256 863 D HA 0.214 4.857 4.640 0.006 0.000 0.250 863 D C 0.613 176.914 176.300 0.003 0.000 1.093 863 D CA -0.114 53.892 54.000 0.010 0.000 0.882 863 D CB 2.041 42.849 40.800 0.013 0.000 1.185 863 D HN 0.588 nan 8.370 nan 0.000 0.437 864 K N 2.039 122.438 120.400 -0.002 0.000 2.173 864 K HA -0.193 4.130 4.320 0.006 0.000 0.207 864 K C 1.715 178.310 176.600 -0.009 0.000 1.046 864 K CA 1.284 57.567 56.287 -0.008 0.000 0.929 864 K CB 0.218 32.714 32.500 -0.006 0.000 0.720 864 K HN 0.348 nan 8.250 nan 0.000 0.453 865 K N 0.383 120.782 120.400 -0.003 0.000 2.211 865 K HA -0.093 4.230 4.320 0.006 0.000 0.203 865 K C 1.930 178.531 176.600 0.001 0.000 1.050 865 K CA 0.979 57.265 56.287 -0.002 0.000 0.945 865 K CB 0.033 32.534 32.500 0.002 0.000 0.732 865 K HN -0.035 nan 8.250 nan 0.000 0.451 866 V N 0.809 120.729 119.914 0.010 0.000 2.295 866 V HA -0.230 3.893 4.120 0.006 0.000 0.246 866 V C 2.227 178.311 176.094 -0.017 0.000 1.049 866 V CA 1.530 63.850 62.300 0.033 0.000 1.024 866 V CB -0.400 31.455 31.823 0.054 0.000 0.648 866 V HN 0.064 nan 8.190 nan 0.000 0.447 867 V N 0.528 120.414 119.914 -0.047 0.000 2.343 867 V HA -0.246 3.878 4.120 0.006 0.000 0.247 867 V C 2.732 178.796 176.094 -0.049 0.000 1.051 867 V CA 2.001 64.260 62.300 -0.068 0.000 1.036 867 V CB -1.288 30.503 31.823 -0.054 0.000 0.654 867 V HN 0.547 nan 8.190 nan 0.000 0.451 868 A N 0.025 122.826 122.820 -0.032 0.000 1.902 868 A HA -0.235 4.088 4.320 0.006 0.000 0.217 868 A C 1.999 179.561 177.584 -0.037 0.000 1.181 868 A CA 1.953 53.973 52.037 -0.028 0.000 0.623 868 A CB -0.575 18.414 19.000 -0.018 0.000 0.818 868 A HN 0.551 nan 8.150 nan 0.000 0.443 869 D N 0.129 120.509 120.400 -0.033 0.000 2.178 869 D HA -0.010 4.634 4.640 0.006 0.000 0.202 869 D C 2.205 178.446 176.300 -0.099 0.000 0.974 869 D CA 1.307 55.280 54.000 -0.045 0.000 0.841 869 D CB -0.397 40.392 40.800 -0.018 0.000 0.953 869 D HN 0.433 nan 8.370 nan 0.000 0.478 870 A N 1.093 123.852 122.820 -0.102 0.000 1.877 870 A HA -0.149 4.174 4.320 0.006 0.000 0.216 870 A C 2.368 179.816 177.584 -0.227 0.000 1.186 870 A CA 0.892 52.792 52.037 -0.227 0.000 0.620 870 A CB -0.767 18.153 19.000 -0.133 0.000 0.822 870 A HN 0.169 nan 8.150 nan 0.000 0.443 871 I N -0.272 120.253 120.570 -0.074 0.000 2.208 871 I HA -0.316 3.857 4.170 0.006 0.000 0.245 871 I C 2.967 179.066 176.117 -0.030 0.000 1.097 871 I CA 1.074 62.359 61.300 -0.025 0.000 1.363 871 I CB -0.324 37.657 38.000 -0.032 0.000 1.051 871 I HN 0.388 nan 8.210 nan 0.000 0.413 872 A N 0.759 123.542 122.820 -0.061 0.000 1.858 872 A HA -0.272 4.051 4.320 0.006 0.000 0.216 872 A C 2.385 179.928 177.584 -0.067 0.000 1.190 872 A CA 2.013 54.022 52.037 -0.046 0.000 0.617 872 A CB -0.631 18.341 19.000 -0.047 0.000 0.827 872 A HN 0.346 nan 8.150 nan 0.000 0.443 873 K N -1.365 118.933 120.400 -0.169 0.000 2.044 873 K HA -0.187 4.136 4.320 0.006 0.000 0.210 873 K C 1.195 177.720 176.600 -0.125 0.000 1.049 873 K CA 1.919 58.071 56.287 -0.226 0.000 0.927 873 K CB -0.336 31.906 32.500 -0.429 0.000 0.713 873 K HN 0.370 nan 8.250 nan 0.000 0.443 874 F N 1.544 121.504 119.950 0.017 0.000 2.802 874 F HA 0.096 4.626 4.527 0.006 0.000 0.300 874 F C 0.334 176.159 175.800 0.041 0.000 1.168 874 F CA 0.057 58.070 58.000 0.022 0.000 1.433 874 F CB -0.518 38.479 39.000 -0.006 0.000 1.115 874 F HN 0.139 nan 8.300 nan 0.000 0.582 875 N N 0.740 119.544 118.700 0.174 0.000 2.740 875 N HA -0.234 4.510 4.740 0.006 0.000 0.248 875 N C -0.265 175.384 175.510 0.231 0.000 1.062 875 N CA 0.470 53.606 53.050 0.143 0.000 0.704 875 N CB -1.593 36.950 38.487 0.094 0.000 0.968 875 N HN 0.296 nan 8.380 nan 0.000 0.547 876 I N 0.637 121.304 120.570 0.162 0.000 2.395 876 I HA 0.041 4.214 4.170 0.006 0.000 0.289 876 I C 0.687 176.854 176.117 0.083 0.000 1.023 876 I CA -0.336 61.013 61.300 0.082 0.000 1.350 876 I CB 0.900 38.790 38.000 -0.183 0.000 1.409 876 I HN -0.066 nan 8.210 nan 0.000 0.507 877 D N 6.119 126.591 120.400 0.120 0.000 2.441 877 D HA 0.268 4.912 4.640 0.006 0.000 0.221 877 D C 0.867 177.206 176.300 0.065 0.000 1.156 877 D CA -0.252 53.800 54.000 0.086 0.000 0.896 877 D CB 1.480 42.337 40.800 0.096 0.000 1.028 877 D HN 0.606 nan 8.370 nan 0.000 0.509 878 A N 3.772 126.617 122.820 0.041 0.000 2.076 878 A HA -0.137 4.187 4.320 0.006 0.000 0.220 878 A C 1.316 178.917 177.584 0.028 0.000 1.160 878 A CA 1.107 53.164 52.037 0.032 0.000 0.653 878 A CB 0.088 19.098 19.000 0.017 0.000 0.801 878 A HN 0.557 nan 8.150 nan 0.000 0.455 879 D N -0.318 120.098 120.400 0.027 0.000 2.431 879 D HA 0.063 4.707 4.640 0.006 0.000 0.213 879 D C 0.065 176.375 176.300 0.017 0.000 1.130 879 D CA -0.049 53.962 54.000 0.019 0.000 0.834 879 D CB 0.160 40.970 40.800 0.016 0.000 0.985 879 D HN 0.699 nan 8.370 nan 0.000 0.504 880 K N 0.800 121.213 120.400 0.022 0.000 2.414 880 K HA 0.157 4.481 4.320 0.006 0.000 0.272 880 K C 0.525 177.121 176.600 -0.006 0.000 0.993 880 K CA -0.477 55.820 56.287 0.016 0.000 0.964 880 K CB 1.486 33.998 32.500 0.020 0.000 0.925 880 K HN -0.224 nan 8.250 nan 0.000 0.487 881 V N 2.140 122.051 119.914 -0.004 0.000 3.032 881 V HA -0.090 4.033 4.120 0.006 0.000 0.307 881 V C 0.299 176.365 176.094 -0.047 0.000 1.097 881 V CA -0.180 62.113 62.300 -0.012 0.000 1.191 881 V CB 0.603 32.429 31.823 0.005 0.000 0.964 881 V HN 0.986 nan 8.190 nan 0.000 0.494 882 N N 5.932 124.606 118.700 -0.043 0.000 2.447 882 N HA 0.113 4.857 4.740 0.006 0.000 0.263 882 N C -1.765 173.691 175.510 -0.090 0.000 1.226 882 N CA -1.025 51.984 53.050 -0.069 0.000 0.906 882 N CB 1.424 39.886 38.487 -0.042 0.000 1.060 882 N HN 0.439 nan 8.380 nan 0.000 0.468 883 P HA -0.148 nan 4.420 nan 0.000 0.217 883 P C 1.214 178.508 177.300 -0.009 0.000 1.148 883 P CA 1.149 64.120 63.100 -0.215 0.000 0.828 883 P CB 0.143 31.622 31.700 -0.368 0.000 0.783 884 R N -0.003 120.495 120.500 -0.002 0.000 2.159 884 R HA -0.085 4.259 4.340 0.006 0.000 0.237 884 R C 1.664 177.984 176.300 0.034 0.000 1.131 884 R CA 1.165 57.272 56.100 0.010 0.000 0.982 884 R CB -0.580 29.706 30.300 -0.024 0.000 0.868 884 R HN 0.226 nan 8.270 nan 0.000 0.453 885 L N 0.128 121.371 121.223 0.034 0.000 2.585 885 L HA 0.267 4.610 4.340 0.006 0.000 0.226 885 L C 1.164 178.087 176.870 0.088 0.000 1.113 885 L CA -0.262 54.612 54.840 0.058 0.000 0.876 885 L CB -0.013 42.064 42.059 0.030 0.000 1.072 885 L HN 0.127 nan 8.230 nan 0.000 0.468 886 A N 0.000 122.878 122.820 0.097 0.000 2.254 886 A HA 0.000 4.323 4.320 0.006 0.000 0.244 886 A CA 0.000 52.107 52.037 0.117 0.000 0.836 886 A CB 0.000 19.098 19.000 0.164 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486