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 3gqn_1_A DATA FIRST_RESID 88 DATA SEQUENCE HFADLVIQVI DELKQFGVSV KTYGAKGDGV TDDIRAFEKA IESGFPVYVP DATA SEQUENCE YGTFMVSRGI KLPSNTVLTG AGKRNAVIRF MDSVGRGESL MYNENVTTGN DATA SEQUENCE ENIFLSSFTL DGNNKRLGQG ISGIGGSRES NLSIRACHNV YIRDIEAVDC DATA SEQUENCE TLHGIDITCG GLDYPYLGDG TTAPNPSENI WIENCEATGF GDDGITTHHS DATA SEQUENCE QYINILNCYS HDPRLTANCN GFEIDDGSRH VVLSNNRSKG CYGGIEIKAH DATA SEQUENCE GDAPAAYNIS INGHMSVEDV RSYNFRHIGH HAATAPQSVS AKNIVASNLV DATA SEQUENCE SIRPNNKRGF QDNATPRVLA VSAYYGVVIN GLTGYTDDPN LLTETVVSVQ DATA SEQUENCE FRARNCSLNG VVLTGFSNSE NGIYVIGGSR GGDAVNISNV TLNNSGRYGV DATA SEQUENCE SIGSGIENVS ITNISGIGDG INSPVALVST INSNPEISGL SSIGYPTVAR DATA SEQUENCE VAGTDYNDGL TLFNGAFRAS TTSSGKIHSE GFIMGSTSGC EASVSKSGVL DATA SEQUENCE TSSSSKTSSE RSLIAGSSTS EAKGTYNTIL GSLGAVADEQ FAALISASQS DATA SEQUENCE RASGNHNLIL SSYGINTTGS YKVNGGFEKI NWELDSLNGR IKARDTVTGG DATA SEQUENCE NTWSDFAEYF ESLGGQVIET GYLVTLEKGK IRKAEKGEKI IGVISETAGF DATA SEQUENCE VLGESSFEWQ GAVLKNEFGG IIYEEVTTED GVKFKRPLPN PDFDPNKNYI DATA SEQUENCE PRSQRREWHV VGLLGQIAVR IDETVKQGHS IDAVGGVATD GDNFIVQEIT DATA SEQUENCE TPYTKEKGYG VAIVLVK 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 88 H HA 0.000 nan 4.556 nan 0.000 0.296 88 H C 0.000 175.387 175.328 0.098 0.000 0.993 88 H CA 0.000 56.087 56.048 0.065 0.000 1.023 88 H CB 0.000 29.799 29.762 0.061 0.000 1.292 89 F N 2.738 122.685 119.950 -0.005 0.000 2.149 89 F HA 0.362 4.888 4.527 -0.001 0.000 0.294 89 F C 2.568 178.364 175.800 -0.006 0.000 1.095 89 F CA 2.540 60.537 58.000 -0.005 0.000 1.276 89 F CB -0.730 38.268 39.000 -0.004 0.000 1.023 89 F HN 0.414 nan 8.300 nan 0.000 0.480 90 A N 0.311 122.959 122.820 -0.286 0.000 1.978 90 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 90 A C 1.771 179.193 177.584 -0.270 0.000 1.170 90 A CA 2.060 53.875 52.037 -0.370 0.000 0.636 90 A CB -1.116 17.810 19.000 -0.123 0.000 0.810 90 A HN 0.486 nan 8.150 nan 0.000 0.448 91 D N -0.145 120.158 120.400 -0.160 0.000 2.218 91 D HA -0.087 4.553 4.640 -0.001 0.000 0.204 91 D C 1.774 177.996 176.300 -0.130 0.000 0.976 91 D CA 0.756 54.688 54.000 -0.113 0.000 0.853 91 D CB -0.216 40.547 40.800 -0.062 0.000 0.939 91 D HN 0.471 nan 8.370 nan 0.000 0.481 92 L N -0.055 121.069 121.223 -0.164 0.000 2.095 92 L HA -0.085 4.254 4.340 -0.001 0.000 0.204 92 L C 2.288 179.051 176.870 -0.179 0.000 1.080 92 L CA 0.464 55.220 54.840 -0.141 0.000 0.759 92 L CB -0.185 41.817 42.059 -0.096 0.000 0.914 92 L HN -0.022 nan 8.230 nan 0.000 0.439 93 V N 0.290 120.024 119.914 -0.301 0.000 2.295 93 V HA -0.312 3.807 4.120 -0.001 0.000 0.246 93 V C 2.325 178.319 176.094 -0.166 0.000 1.049 93 V CA 1.841 63.983 62.300 -0.264 0.000 1.024 93 V CB -0.369 31.215 31.823 -0.397 0.000 0.648 93 V HN 0.303 nan 8.190 nan 0.000 0.447 94 I N -0.312 120.163 120.570 -0.159 0.000 2.163 94 I HA -0.327 3.842 4.170 -0.001 0.000 0.243 94 I C 2.602 178.662 176.117 -0.095 0.000 1.085 94 I CA 1.772 63.010 61.300 -0.105 0.000 1.347 94 I CB -0.361 37.584 38.000 -0.091 0.000 1.044 94 I HN 0.347 nan 8.210 nan 0.000 0.408 95 Q N -0.220 119.518 119.800 -0.104 0.000 2.488 95 Q HA -0.071 4.268 4.340 -0.001 0.000 0.211 95 Q C 2.160 178.106 176.000 -0.090 0.000 0.967 95 Q CA 0.589 56.334 55.803 -0.098 0.000 0.926 95 Q CB 0.298 28.980 28.738 -0.093 0.000 0.992 95 Q HN 0.421 nan 8.270 nan 0.000 0.506 96 V N 0.196 120.057 119.914 -0.088 0.000 2.379 96 V HA -0.198 3.921 4.120 -0.001 0.000 0.243 96 V C 1.944 177.992 176.094 -0.077 0.000 1.035 96 V CA 1.271 63.525 62.300 -0.076 0.000 1.035 96 V CB -0.186 31.595 31.823 -0.071 0.000 0.673 96 V HN 0.329 nan 8.190 nan 0.000 0.457 97 I N 0.426 120.951 120.570 -0.075 0.000 2.226 97 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 97 I C 2.051 178.125 176.117 -0.071 0.000 1.100 97 I CA 1.517 62.777 61.300 -0.067 0.000 1.374 97 I CB -0.498 37.475 38.000 -0.045 0.000 1.057 97 I HN 0.283 nan 8.210 nan 0.000 0.413 98 D N 0.677 121.030 120.400 -0.077 0.000 2.309 98 D HA -0.148 4.492 4.640 -0.001 0.000 0.212 98 D C 1.854 178.078 176.300 -0.127 0.000 0.968 98 D CA 1.005 54.948 54.000 -0.095 0.000 0.882 98 D CB -0.102 40.627 40.800 -0.118 0.000 0.918 98 D HN 0.477 nan 8.370 nan 0.000 0.503 99 E N -0.632 119.500 120.200 -0.114 0.000 2.431 99 E HA 0.131 4.481 4.350 -0.001 0.000 0.200 99 E C 1.986 178.523 176.600 -0.105 0.000 0.995 99 E CA -0.199 56.132 56.400 -0.116 0.000 0.915 99 E CB 0.462 30.107 29.700 -0.092 0.000 0.930 99 E HN 0.225 nan 8.360 nan 0.000 0.496 100 L N 0.837 122.000 121.223 -0.101 0.000 2.093 100 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 100 L C 0.387 177.181 176.870 -0.126 0.000 1.085 100 L CA 0.828 55.605 54.840 -0.106 0.000 0.755 100 L CB -0.186 41.808 42.059 -0.109 0.000 0.904 100 L HN 0.009 nan 8.230 nan 0.000 0.435 101 K N 0.358 120.679 120.400 -0.133 0.000 3.653 101 K HA -0.262 4.057 4.320 -0.001 0.000 0.275 101 K C 0.843 177.328 176.600 -0.192 0.000 0.962 101 K CA 0.092 56.300 56.287 -0.132 0.000 0.773 101 K CB -1.083 31.339 32.500 -0.131 0.000 1.463 101 K HN 0.397 nan 8.250 nan 0.000 0.450 102 Q N -0.518 119.076 119.800 -0.342 0.000 2.124 102 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 102 Q C 0.842 176.378 176.000 -0.773 0.000 0.977 102 Q CA 1.659 57.074 55.803 -0.646 0.000 0.850 102 Q CB 0.013 28.158 28.738 -0.988 0.000 0.901 102 Q HN 0.614 nan 8.270 nan 0.000 0.429 103 F N -1.326 118.500 119.950 -0.206 0.000 2.688 103 F HA 0.444 4.971 4.527 -0.001 0.000 0.310 103 F C 1.043 176.807 175.800 -0.060 0.000 1.098 103 F CA 0.056 57.934 58.000 -0.204 0.000 1.228 103 F CB 0.733 39.407 39.000 -0.543 0.000 1.042 103 F HN 0.064 nan 8.300 nan 0.000 0.557 104 G N 0.778 109.622 108.800 0.072 0.000 2.482 104 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.214 104 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.214 104 G C -0.706 174.230 174.900 0.061 0.000 1.271 104 G CA -0.730 44.421 45.100 0.084 0.000 0.944 104 G HN 0.614 nan 8.290 nan 0.000 0.568 105 V N -1.076 118.867 119.914 0.049 0.000 2.508 105 V HA 0.673 4.792 4.120 -0.001 0.000 0.281 105 V C 0.979 177.170 176.094 0.162 0.000 1.041 105 V CA 0.576 62.910 62.300 0.057 0.000 1.016 105 V CB 0.770 32.647 31.823 0.089 0.000 0.984 105 V HN 1.950 nan 8.190 nan 0.000 0.478 106 S N 3.188 118.985 115.700 0.161 0.000 2.593 106 S HA 0.250 4.720 4.470 -0.001 0.000 0.269 106 S C 0.836 175.503 174.600 0.112 0.000 1.334 106 S CA 0.154 58.459 58.200 0.175 0.000 1.015 106 S CB 1.623 64.929 63.200 0.177 0.000 0.912 106 S HN 1.041 nan 8.310 nan 0.000 0.541 107 V N 4.070 123.966 119.914 -0.030 0.000 2.951 107 V HA 0.053 4.172 4.120 -0.001 0.000 0.255 107 V C 2.025 178.090 176.094 -0.050 0.000 1.088 107 V CA 1.499 63.690 62.300 -0.181 0.000 1.109 107 V CB -0.499 30.919 31.823 -0.674 0.000 0.724 107 V HN 0.881 nan 8.190 nan 0.000 0.471 108 K N -0.557 119.864 120.400 0.034 0.000 2.288 108 K HA -0.091 4.228 4.320 -0.001 0.000 0.201 108 K C 1.954 178.569 176.600 0.025 0.000 1.048 108 K CA 1.572 57.896 56.287 0.062 0.000 0.956 108 K CB -0.281 32.274 32.500 0.092 0.000 0.746 108 K HN 0.470 nan 8.250 nan 0.000 0.461 109 T N 0.456 115.018 114.554 0.013 0.000 2.759 109 T HA -0.158 4.192 4.350 -0.001 0.000 0.269 109 T C 1.045 175.610 174.700 -0.225 0.000 1.042 109 T CA 1.327 63.357 62.100 -0.118 0.000 1.140 109 T CB -0.205 68.559 68.868 -0.173 0.000 0.864 109 T HN 0.247 nan 8.240 nan 0.000 0.455 110 Y N 0.497 120.763 120.300 -0.056 0.000 2.493 110 Y HA 0.433 4.982 4.550 -0.001 0.000 0.275 110 Y C 1.626 177.503 175.900 -0.038 0.000 1.183 110 Y CA -0.304 57.768 58.100 -0.047 0.000 1.258 110 Y CB 0.139 38.565 38.460 -0.056 0.000 1.108 110 Y HN 0.299 nan 8.280 nan 0.000 0.521 111 G N -0.068 108.768 108.800 0.059 0.000 2.145 111 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.176 111 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.176 111 G C -0.050 174.875 174.900 0.041 0.000 1.013 111 G CA -0.270 44.853 45.100 0.038 0.000 0.689 111 G HN 0.550 nan 8.290 nan 0.000 0.506 112 A N -0.106 122.739 122.820 0.040 0.000 2.331 112 A HA 0.785 5.104 4.320 -0.001 0.000 0.283 112 A C 1.218 178.816 177.584 0.022 0.000 1.142 112 A CA 0.162 52.239 52.037 0.066 0.000 0.812 112 A CB 0.793 19.856 19.000 0.106 0.000 1.074 112 A HN 0.130 nan 8.150 nan 0.000 0.497 113 K N 1.805 122.173 120.400 -0.053 0.000 2.108 113 K HA 0.141 4.461 4.320 -0.001 0.000 0.204 113 K C 1.183 177.552 176.600 -0.386 0.000 1.036 113 K CA 1.109 57.310 56.287 -0.144 0.000 0.965 113 K CB -0.153 32.286 32.500 -0.102 0.000 0.804 113 K HN 1.652 nan 8.250 nan 0.000 0.454 114 G N 3.928 112.340 108.800 -0.647 0.000 2.298 114 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.287 114 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.287 114 G C -0.120 174.418 174.900 -0.603 0.000 1.075 114 G CA 0.842 45.234 45.100 -1.180 0.000 0.960 114 G HN 0.477 nan 8.290 nan 0.000 0.502 115 D N -1.492 118.707 120.400 -0.336 0.000 2.398 115 D HA 0.386 5.025 4.640 -0.001 0.000 0.210 115 D C 1.764 177.981 176.300 -0.138 0.000 1.094 115 D CA 0.397 54.280 54.000 -0.195 0.000 0.839 115 D CB -0.276 40.453 40.800 -0.119 0.000 0.963 115 D HN 1.495 nan 8.370 nan 0.000 0.506 116 G N -0.389 108.323 108.800 -0.147 0.000 2.159 116 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.256 116 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.256 116 G C 0.771 175.648 174.900 -0.039 0.000 0.977 116 G CA 0.524 45.577 45.100 -0.079 0.000 0.652 116 G HN 0.403 nan 8.290 nan 0.000 0.531 117 V N -0.756 119.133 119.914 -0.042 0.000 3.141 117 V HA 0.218 4.337 4.120 -0.001 0.000 0.225 117 V C 1.458 177.549 176.094 -0.006 0.000 1.352 117 V CA 1.303 63.593 62.300 -0.016 0.000 1.316 117 V CB 0.093 31.907 31.823 -0.015 0.000 1.126 117 V HN 0.316 nan 8.190 nan 0.000 0.493 118 T N 2.182 116.725 114.554 -0.019 0.000 2.870 118 T HA 0.176 4.526 4.350 -0.001 0.000 0.300 118 T C -0.316 174.401 174.700 0.029 0.000 0.989 118 T CA 0.285 62.386 62.100 0.000 0.000 1.139 118 T CB 0.823 69.683 68.868 -0.013 0.000 0.920 118 T HN 0.293 nan 8.240 nan 0.000 0.537 119 D N 2.043 122.472 120.400 0.049 0.000 2.344 119 D HA 0.094 4.733 4.640 -0.001 0.000 0.253 119 D C 0.092 176.457 176.300 0.109 0.000 1.255 119 D CA -0.346 53.702 54.000 0.079 0.000 0.894 119 D CB 0.442 41.283 40.800 0.069 0.000 1.067 119 D HN 0.322 nan 8.370 nan 0.000 0.492 120 D N 3.638 124.141 120.400 0.171 0.000 2.368 120 D HA -0.003 4.636 4.640 -0.001 0.000 0.218 120 D C 1.756 178.261 176.300 0.341 0.000 1.112 120 D CA -0.278 53.870 54.000 0.247 0.000 0.834 120 D CB 0.200 41.214 40.800 0.356 0.000 0.953 120 D HN 0.424 nan 8.370 nan 0.000 0.505 121 I N 1.161 121.875 120.570 0.240 0.000 2.151 121 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 121 I C 1.911 178.147 176.117 0.198 0.000 1.080 121 I CA 1.644 63.068 61.300 0.206 0.000 1.339 121 I CB 0.200 38.268 38.000 0.113 0.000 1.039 121 I HN -0.186 nan 8.210 nan 0.000 0.409 122 R N 0.761 121.346 120.500 0.142 0.000 2.115 122 R HA 0.028 4.368 4.340 -0.001 0.000 0.230 122 R C 2.241 178.598 176.300 0.096 0.000 1.111 122 R CA 1.238 57.399 56.100 0.102 0.000 0.976 122 R CB -1.278 29.071 30.300 0.082 0.000 0.870 122 R HN 0.538 nan 8.270 nan 0.000 0.445 123 A N 0.242 123.125 122.820 0.104 0.000 1.933 123 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 123 A C 2.035 179.564 177.584 -0.092 0.000 1.175 123 A CA 1.049 53.108 52.037 0.037 0.000 0.628 123 A CB -0.582 18.417 19.000 -0.001 0.000 0.814 123 A HN 0.183 nan 8.150 nan 0.000 0.444 124 F N 0.239 120.165 119.950 -0.040 0.000 2.060 124 F HA -0.135 4.391 4.527 -0.001 0.000 0.295 124 F C 2.517 178.235 175.800 -0.138 0.000 1.120 124 F CA 1.911 59.846 58.000 -0.109 0.000 1.205 124 F CB -0.448 38.483 39.000 -0.114 0.000 0.986 124 F HN 0.271 nan 8.300 nan 0.000 0.470 125 E N 0.205 120.464 120.200 0.098 0.000 2.130 125 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 125 E C 2.076 178.638 176.600 -0.064 0.000 0.998 125 E CA 1.425 57.831 56.400 0.010 0.000 0.806 125 E CB -0.247 29.466 29.700 0.022 0.000 0.738 125 E HN 0.439 nan 8.360 nan 0.000 0.459 126 K N 0.379 120.714 120.400 -0.109 0.000 2.025 126 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 126 K C 2.253 178.522 176.600 -0.552 0.000 1.049 126 K CA 1.016 57.173 56.287 -0.216 0.000 0.933 126 K CB -0.130 32.316 32.500 -0.090 0.000 0.714 126 K HN 0.049 nan 8.250 nan 0.000 0.438 127 A N 1.388 123.757 122.820 -0.752 0.000 1.933 127 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 127 A C 2.086 179.490 177.584 -0.300 0.000 1.175 127 A CA 1.334 52.880 52.037 -0.819 0.000 0.628 127 A CB -0.575 18.106 19.000 -0.531 0.000 0.814 127 A HN 0.192 nan 8.150 nan 0.000 0.444 128 I N 0.277 120.747 120.570 -0.167 0.000 2.286 128 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 128 I C 2.460 178.548 176.117 -0.047 0.000 1.104 128 I CA 1.525 62.789 61.300 -0.059 0.000 1.397 128 I CB -0.457 37.527 38.000 -0.026 0.000 1.072 128 I HN 0.589 nan 8.210 nan 0.000 0.417 129 E N 1.459 121.619 120.200 -0.066 0.000 2.418 129 E HA -0.144 4.206 4.350 -0.001 0.000 0.197 129 E C 1.931 178.519 176.600 -0.020 0.000 1.026 129 E CA 1.192 57.570 56.400 -0.037 0.000 0.862 129 E CB -0.217 29.466 29.700 -0.028 0.000 0.799 129 E HN 0.527 nan 8.360 nan 0.000 0.518 130 S N 0.384 116.077 115.700 -0.011 0.000 2.474 130 S HA 0.060 4.529 4.470 -0.001 0.000 0.235 130 S C 1.794 176.393 174.600 -0.003 0.000 0.997 130 S CA 0.738 59.000 58.200 0.104 0.000 0.949 130 S CB -0.357 63.014 63.200 0.284 0.000 0.766 130 S HN 0.616 nan 8.310 nan 0.000 0.517 131 G N -0.153 108.605 108.800 -0.069 0.000 2.157 131 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.248 131 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.248 131 G C -0.107 174.607 174.900 -0.311 0.000 0.979 131 G CA 0.161 45.137 45.100 -0.206 0.000 0.650 131 G HN 0.523 nan 8.290 nan 0.000 0.529 132 F N 0.675 120.634 119.950 0.015 0.000 2.470 132 F HA 0.573 5.099 4.527 -0.001 0.000 0.329 132 F C -1.860 173.958 175.800 0.030 0.000 1.072 132 F CA -2.584 55.434 58.000 0.030 0.000 0.989 132 F CB 1.556 40.591 39.000 0.058 0.000 1.193 132 F HN -0.206 nan 8.300 nan 0.000 0.481 133 P HA 0.057 nan 4.420 nan 0.000 0.265 133 P C -0.831 176.581 177.300 0.187 0.000 1.222 133 P CA 0.035 63.238 63.100 0.172 0.000 0.767 133 P CB 0.273 32.060 31.700 0.145 0.000 0.801 134 V N 5.448 125.444 119.914 0.138 0.000 2.530 134 V HA 0.141 4.260 4.120 -0.001 0.000 0.282 134 V C -0.042 176.124 176.094 0.120 0.000 1.048 134 V CA -0.238 62.119 62.300 0.095 0.000 0.997 134 V CB 0.047 31.877 31.823 0.011 0.000 0.987 134 V HN 0.418 nan 8.190 nan 0.000 0.477 135 Y N 4.509 124.793 120.300 -0.027 0.000 2.387 135 Y HA 0.669 5.218 4.550 -0.001 0.000 0.336 135 Y C -0.371 175.412 175.900 -0.196 0.000 1.067 135 Y CA -0.819 57.230 58.100 -0.086 0.000 1.114 135 Y CB 1.927 40.339 38.460 -0.081 0.000 1.208 135 Y HN 0.377 nan 8.280 nan 0.000 0.458 136 V N 8.472 127.803 119.914 -0.972 0.000 2.350 136 V HA 0.400 4.520 4.120 -0.001 0.000 0.285 136 V C -2.227 173.284 176.094 -0.973 0.000 1.014 136 V CA -1.718 60.056 62.300 -0.876 0.000 0.831 136 V CB 0.956 32.327 31.823 -0.754 0.000 1.000 136 V HN 0.693 nan 8.190 nan 0.000 0.433 137 P HA 0.188 nan 4.420 nan 0.000 0.302 137 P C -0.532 176.875 177.300 0.178 0.000 1.307 137 P CA -0.611 62.450 63.100 -0.064 0.000 0.754 137 P CB 0.704 32.521 31.700 0.194 0.000 1.298 138 Y N 0.152 120.534 120.300 0.138 0.000 2.788 138 Y HA 0.323 4.873 4.550 -0.001 0.000 0.341 138 Y C 0.668 176.709 175.900 0.235 0.000 1.258 138 Y CA 2.012 60.210 58.100 0.164 0.000 1.503 138 Y CB -0.567 37.950 38.460 0.095 0.000 1.325 138 Y HN 0.874 nan 8.280 nan 0.000 0.614 139 G N 2.747 111.106 108.800 -0.736 0.000 2.334 139 G HA2 0.071 4.030 3.960 -0.001 0.000 0.566 139 G HA3 0.071 4.030 3.960 -0.001 0.000 0.566 139 G C -1.294 173.376 174.900 -0.384 0.000 1.413 139 G CA -0.634 43.969 45.100 -0.828 0.000 0.993 139 G HN 0.715 nan 8.290 nan 0.000 0.642 140 T N 1.790 116.098 114.554 -0.411 0.000 3.005 140 T HA 0.448 4.797 4.350 -0.001 0.000 0.323 140 T C -0.234 174.373 174.700 -0.154 0.000 1.131 140 T CA -0.000 62.010 62.100 -0.150 0.000 0.977 140 T CB -0.249 68.551 68.868 -0.113 0.000 1.055 140 T HN 0.372 nan 8.240 nan 0.000 0.562 141 F N 4.269 124.196 119.950 -0.038 0.000 2.464 141 F HA 0.271 4.798 4.527 -0.001 0.000 0.353 141 F C 1.004 176.812 175.800 0.014 0.000 1.191 141 F CA -0.987 57.039 58.000 0.044 0.000 1.147 141 F CB -0.103 39.012 39.000 0.192 0.000 1.294 141 F HN 0.243 nan 8.300 nan 0.000 0.583 142 M N 2.444 122.111 119.600 0.112 0.000 2.232 142 M HA 0.328 4.808 4.480 -0.001 0.000 0.321 142 M C -0.127 176.235 176.300 0.102 0.000 1.101 142 M CA -0.183 55.167 55.300 0.083 0.000 1.181 142 M CB 0.943 33.577 32.600 0.057 0.000 1.432 142 M HN 0.225 nan 8.290 nan 0.000 0.457 143 V N 0.976 120.949 119.914 0.099 0.000 2.932 143 V HA 0.312 4.432 4.120 -0.001 0.000 0.307 143 V C 0.427 176.660 176.094 0.231 0.000 1.147 143 V CA -0.256 62.112 62.300 0.114 0.000 0.951 143 V CB 2.555 34.357 31.823 -0.036 0.000 1.031 143 V HN 1.046 nan 8.190 nan 0.000 0.426 144 S N 3.436 119.245 115.700 0.182 0.000 2.502 144 S HA 0.282 4.752 4.470 -0.001 0.000 0.215 144 S C 0.461 175.147 174.600 0.142 0.000 1.009 144 S CA -0.188 58.096 58.200 0.140 0.000 0.908 144 S CB 0.185 63.432 63.200 0.079 0.000 0.801 144 S HN 0.854 nan 8.310 nan 0.000 0.505 145 R N -0.229 120.409 120.500 0.230 0.000 2.680 145 R HA 0.631 4.971 4.340 -0.001 0.000 0.269 145 R C -0.081 176.419 176.300 0.332 0.000 1.026 145 R CA -0.675 55.577 56.100 0.253 0.000 0.889 145 R CB 0.325 30.701 30.300 0.127 0.000 1.241 145 R HN 0.041 nan 8.270 nan 0.000 0.463 146 G N 2.183 111.226 108.800 0.405 0.000 2.321 146 G HA2 0.182 4.141 3.960 -0.001 0.000 0.237 146 G HA3 0.182 4.141 3.960 -0.001 0.000 0.237 146 G C 0.135 175.013 174.900 -0.036 0.000 1.282 146 G CA -0.534 44.746 45.100 0.300 0.000 0.886 146 G HN 0.482 nan 8.290 nan 0.000 0.528 147 I N 2.127 122.572 120.570 -0.207 0.000 2.436 147 I HA 0.097 4.266 4.170 -0.001 0.000 0.289 147 I C 0.758 176.597 176.117 -0.463 0.000 1.083 147 I CA 0.119 61.238 61.300 -0.301 0.000 1.372 147 I CB 0.643 38.427 38.000 -0.360 0.000 1.408 147 I HN 0.305 nan 8.210 nan 0.000 0.516 148 K N 7.226 127.379 120.400 -0.412 0.000 2.174 148 K HA 0.574 4.893 4.320 -0.001 0.000 0.275 148 K C -0.864 175.598 176.600 -0.229 0.000 1.015 148 K CA -0.532 55.483 56.287 -0.453 0.000 0.933 148 K CB 1.363 33.686 32.500 -0.296 0.000 1.025 148 K HN 0.489 nan 8.250 nan 0.000 0.463 149 L N 5.518 126.637 121.223 -0.174 0.000 2.345 149 L HA 0.369 4.709 4.340 -0.001 0.000 0.274 149 L C -2.133 174.728 176.870 -0.015 0.000 0.999 149 L CA -2.115 52.688 54.840 -0.062 0.000 0.849 149 L CB 1.493 43.538 42.059 -0.022 0.000 1.220 149 L HN 0.442 nan 8.230 nan 0.000 0.422 150 P HA 0.188 nan 4.420 nan 0.000 0.279 150 P C -0.280 177.044 177.300 0.039 0.000 1.282 150 P CA -0.472 62.637 63.100 0.015 0.000 0.788 150 P CB 0.786 32.490 31.700 0.006 0.000 1.139 151 S N 0.277 116.002 115.700 0.041 0.000 2.566 151 S HA 0.012 4.481 4.470 -0.001 0.000 0.280 151 S C 0.560 175.202 174.600 0.069 0.000 1.343 151 S CA -0.001 58.234 58.200 0.058 0.000 1.036 151 S CB -0.959 62.268 63.200 0.045 0.000 0.866 151 S HN 0.542 nan 8.310 nan 0.000 0.526 152 N N 0.306 119.070 118.700 0.106 0.000 2.727 152 N HA -0.163 4.576 4.740 -0.001 0.000 0.251 152 N C -0.500 175.082 175.510 0.120 0.000 1.040 152 N CA 0.796 53.921 53.050 0.125 0.000 0.712 152 N CB -1.224 37.307 38.487 0.073 0.000 0.912 152 N HN 0.661 nan 8.380 nan 0.000 0.545 153 T N -0.654 113.997 114.554 0.162 0.000 2.797 153 T HA 0.518 4.867 4.350 -0.001 0.000 0.279 153 T C -0.213 174.624 174.700 0.228 0.000 0.991 153 T CA -0.495 61.693 62.100 0.148 0.000 0.979 153 T CB 1.603 70.535 68.868 0.107 0.000 0.943 153 T HN 0.005 nan 8.240 nan 0.000 0.444 154 V N 6.646 126.661 119.914 0.169 0.000 2.357 154 V HA 0.569 4.688 4.120 -0.001 0.000 0.284 154 V C -0.517 175.677 176.094 0.168 0.000 1.018 154 V CA -0.808 61.600 62.300 0.180 0.000 0.841 154 V CB 1.126 32.984 31.823 0.058 0.000 0.991 154 V HN 0.786 nan 8.190 nan 0.000 0.437 155 L N 5.631 126.980 121.223 0.210 0.000 2.417 155 L HA 0.631 4.970 4.340 -0.001 0.000 0.259 155 L C -0.113 176.911 176.870 0.257 0.000 1.023 155 L CA 0.284 55.227 54.840 0.172 0.000 0.901 155 L CB 1.629 43.761 42.059 0.121 0.000 1.227 155 L HN 0.723 nan 8.230 nan 0.000 0.454 156 T N 2.512 117.185 114.554 0.199 0.000 2.807 156 T HA 0.835 5.184 4.350 -0.001 0.000 0.279 156 T C 0.266 174.996 174.700 0.050 0.000 0.993 156 T CA 0.112 62.346 62.100 0.222 0.000 0.970 156 T CB 1.042 70.048 68.868 0.229 0.000 0.950 156 T HN 0.711 nan 8.240 nan 0.000 0.441 157 G N 1.613 110.465 108.800 0.087 0.000 2.671 157 G HA2 0.623 4.582 3.960 -0.001 0.000 0.275 157 G HA3 0.623 4.582 3.960 -0.001 0.000 0.275 157 G C 0.835 175.631 174.900 -0.173 0.000 1.368 157 G CA -0.227 44.749 45.100 -0.207 0.000 1.044 157 G HN 0.984 nan 8.290 nan 0.000 0.543 158 A N -1.890 120.825 122.820 -0.175 0.000 2.238 158 A HA 0.614 4.933 4.320 -0.001 0.000 0.210 158 A C 1.135 178.769 177.584 0.083 0.000 1.179 158 A CA 1.309 53.346 52.037 -0.001 0.000 0.827 158 A CB -0.547 18.470 19.000 0.029 0.000 0.856 158 A HN 2.297 nan 8.150 nan 0.000 0.488 159 G N -0.835 108.018 108.800 0.088 0.000 2.351 159 G HA2 0.163 4.123 3.960 -0.001 0.000 0.353 159 G HA3 0.163 4.123 3.960 -0.001 0.000 0.353 159 G C -1.048 173.913 174.900 0.103 0.000 1.358 159 G CA -0.971 44.185 45.100 0.093 0.000 0.995 159 G HN 0.236 nan 8.290 nan 0.000 0.611 160 K N 0.513 120.962 120.400 0.080 0.000 2.382 160 K HA 0.389 4.708 4.320 -0.001 0.000 0.275 160 K C 0.818 177.482 176.600 0.106 0.000 1.009 160 K CA 0.018 56.355 56.287 0.084 0.000 0.970 160 K CB 0.284 32.824 32.500 0.068 0.000 0.934 160 K HN 0.655 nan 8.250 nan 0.000 0.479 161 R N 1.259 121.827 120.500 0.114 0.000 3.322 161 R HA -0.290 4.049 4.340 -0.001 0.000 0.253 161 R C 0.255 176.653 176.300 0.163 0.000 0.987 161 R CA 0.470 56.645 56.100 0.124 0.000 0.666 161 R CB -1.406 28.960 30.300 0.110 0.000 1.072 161 R HN 0.766 nan 8.270 nan 0.000 0.447 162 N N -0.756 118.052 118.700 0.180 0.000 2.836 162 N HA 0.088 4.827 4.740 -0.001 0.000 0.311 162 N C -0.917 174.727 175.510 0.223 0.000 0.752 162 N CA 0.768 53.974 53.050 0.260 0.000 1.351 162 N CB 0.247 38.856 38.487 0.203 0.000 1.334 162 N HN 0.206 nan 8.380 nan 0.000 1.396 163 A N 2.579 125.493 122.820 0.156 0.000 2.391 163 A HA 0.616 4.935 4.320 -0.001 0.000 0.316 163 A C -0.531 177.135 177.584 0.136 0.000 1.381 163 A CA -0.300 51.803 52.037 0.110 0.000 0.998 163 A CB 0.093 19.074 19.000 -0.032 0.000 1.147 163 A HN 0.071 nan 8.150 nan 0.000 0.545 164 V N 4.221 124.237 119.914 0.170 0.000 2.483 164 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 164 V C -0.132 176.052 176.094 0.150 0.000 1.035 164 V CA -0.306 62.079 62.300 0.141 0.000 0.896 164 V CB 1.550 33.429 31.823 0.093 0.000 0.986 164 V HN 0.729 nan 8.190 nan 0.000 0.447 165 I N 4.876 125.475 120.570 0.048 0.000 2.418 165 I HA 0.620 4.789 4.170 -0.001 0.000 0.287 165 I C -0.124 175.947 176.117 -0.076 0.000 1.008 165 I CA -0.432 60.834 61.300 -0.057 0.000 1.104 165 I CB 1.666 39.502 38.000 -0.272 0.000 1.264 165 I HN 0.531 nan 8.210 nan 0.000 0.438 166 R N 5.404 125.866 120.500 -0.064 0.000 2.686 166 R HA 0.543 4.882 4.340 -0.001 0.000 0.283 166 R C -1.362 174.932 176.300 -0.011 0.000 0.978 166 R CA -0.650 55.429 56.100 -0.035 0.000 0.897 166 R CB 1.876 32.195 30.300 0.031 0.000 1.192 166 R HN 0.413 nan 8.270 nan 0.000 0.457 167 F N 3.533 123.484 119.950 0.002 0.000 2.471 167 F HA 0.198 4.725 4.527 -0.001 0.000 0.353 167 F C 0.990 176.793 175.800 0.005 0.000 1.113 167 F CA -0.284 57.717 58.000 0.001 0.000 1.262 167 F CB 1.024 40.028 39.000 0.006 0.000 1.146 167 F HN 0.256 nan 8.300 nan 0.000 0.578 168 M N 2.568 122.322 119.600 0.256 0.000 2.228 168 M HA 0.034 4.513 4.480 -0.001 0.000 0.326 168 M C 0.738 177.075 176.300 0.062 0.000 1.122 168 M CA -0.297 55.074 55.300 0.117 0.000 1.161 168 M CB 0.563 33.215 32.600 0.086 0.000 1.437 168 M HN 0.504 nan 8.290 nan 0.000 0.465 169 D N 0.074 120.497 120.400 0.039 0.000 2.403 169 D HA -0.080 4.560 4.640 -0.001 0.000 0.227 169 D C 1.052 177.346 176.300 -0.010 0.000 0.995 169 D CA 0.914 54.923 54.000 0.016 0.000 0.928 169 D CB -0.084 40.725 40.800 0.015 0.000 0.887 169 D HN 0.567 nan 8.370 nan 0.000 0.529 170 S N -1.291 114.398 115.700 -0.019 0.000 2.855 170 S HA 0.226 4.696 4.470 -0.001 0.000 0.249 170 S C 0.209 174.767 174.600 -0.070 0.000 1.033 170 S CA -0.636 57.543 58.200 -0.036 0.000 1.038 170 S CB 0.146 63.336 63.200 -0.018 0.000 0.960 170 S HN -0.138 nan 8.310 nan 0.000 0.548 171 V N 2.343 122.183 119.914 -0.124 0.000 2.686 171 V HA 0.569 4.688 4.120 -0.001 0.000 0.295 171 V C 1.536 177.493 176.094 -0.228 0.000 1.055 171 V CA 0.084 62.246 62.300 -0.230 0.000 1.050 171 V CB 0.751 32.268 31.823 -0.510 0.000 0.984 171 V HN 0.553 nan 8.190 nan 0.000 0.482 172 G N 4.663 113.347 108.800 -0.193 0.000 2.468 172 G HA2 0.301 4.260 3.960 -0.001 0.000 0.264 172 G HA3 0.301 4.260 3.960 -0.001 0.000 0.264 172 G C -0.083 174.712 174.900 -0.174 0.000 1.460 172 G CA -0.518 44.494 45.100 -0.146 0.000 1.060 172 G HN 0.542 nan 8.290 nan 0.000 0.543 173 R N -1.193 119.235 120.500 -0.120 0.000 2.711 173 R HA 0.574 4.914 4.340 -0.001 0.000 0.284 173 R C 0.428 176.676 176.300 -0.088 0.000 0.968 173 R CA -0.054 55.982 56.100 -0.106 0.000 0.924 173 R CB 1.170 31.424 30.300 -0.077 0.000 1.162 173 R HN 1.301 nan 8.270 nan 0.000 0.465 174 G N 0.882 109.632 108.800 -0.083 0.000 2.205 174 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.180 174 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.180 174 G C -0.153 174.699 174.900 -0.081 0.000 1.004 174 G CA -0.423 44.630 45.100 -0.078 0.000 0.670 174 G HN 0.459 nan 8.290 nan 0.000 0.496 175 E N 0.498 120.673 120.200 -0.042 0.000 2.266 175 E HA 0.578 4.928 4.350 -0.001 0.000 0.268 175 E C -0.616 176.080 176.600 0.160 0.000 0.879 175 E CA -0.541 55.878 56.400 0.032 0.000 0.762 175 E CB 1.739 31.543 29.700 0.173 0.000 1.199 175 E HN 0.108 nan 8.360 nan 0.000 0.422 176 S N 2.586 118.347 115.700 0.102 0.000 2.565 176 S HA 0.126 4.595 4.470 -0.001 0.000 0.274 176 S C 1.336 176.166 174.600 0.384 0.000 1.309 176 S CA -0.376 57.961 58.200 0.227 0.000 1.043 176 S CB 0.829 64.098 63.200 0.115 0.000 0.939 176 S HN 0.543 nan 8.310 nan 0.000 0.504 177 L N 2.240 123.550 121.223 0.144 0.000 2.021 177 L HA -0.038 4.301 4.340 -0.001 0.000 0.215 177 L C 0.799 177.560 176.870 -0.182 0.000 1.074 177 L CA 1.529 56.134 54.840 -0.391 0.000 0.760 177 L CB -0.036 41.725 42.059 -0.496 0.000 0.889 177 L HN 0.619 nan 8.230 nan 0.000 0.433 178 M N -1.253 118.346 119.600 -0.001 0.000 2.393 178 M HA 0.367 4.847 4.480 -0.001 0.000 0.299 178 M C -1.754 174.651 176.300 0.175 0.000 1.103 178 M CA -0.737 54.559 55.300 -0.008 0.000 0.910 178 M CB 1.992 34.581 32.600 -0.018 0.000 1.659 178 M HN 0.114 nan 8.290 nan 0.000 0.445 179 Y N 1.198 121.500 120.300 0.003 0.000 2.677 179 Y HA 0.486 5.035 4.550 -0.001 0.000 0.334 179 Y C -1.467 174.449 175.900 0.027 0.000 1.196 179 Y CA -1.615 56.500 58.100 0.025 0.000 1.059 179 Y CB 0.427 38.904 38.460 0.030 0.000 1.315 179 Y HN 0.833 nan 8.280 nan 0.000 0.455 180 N N 0.481 119.293 118.700 0.188 0.000 2.508 180 N HA 0.125 4.864 4.740 -0.001 0.000 0.264 180 N C 0.453 176.031 175.510 0.113 0.000 1.216 180 N CA -0.154 52.954 53.050 0.096 0.000 0.943 180 N CB 1.812 40.367 38.487 0.114 0.000 1.113 180 N HN 0.945 nan 8.380 nan 0.000 0.447 181 E N 1.428 121.643 120.200 0.025 0.000 2.007 181 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 181 E C 0.097 176.756 176.600 0.098 0.000 0.999 181 E CA 0.715 57.134 56.400 0.032 0.000 0.811 181 E CB -0.034 29.666 29.700 -0.000 0.000 0.762 181 E HN 0.654 nan 8.360 nan 0.000 0.450 182 N N 0.983 119.728 118.700 0.074 0.000 2.498 182 N HA -0.046 4.693 4.740 -0.001 0.000 0.277 182 N C 0.628 176.186 175.510 0.081 0.000 1.208 182 N CA 0.009 53.100 53.050 0.068 0.000 1.029 182 N CB 0.925 39.440 38.487 0.047 0.000 1.403 182 N HN 0.023 nan 8.380 nan 0.000 0.500 183 V N 2.486 122.454 119.914 0.091 0.000 2.407 183 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 183 V C 1.978 178.094 176.094 0.037 0.000 1.055 183 V CA 1.853 64.196 62.300 0.071 0.000 1.049 183 V CB -0.506 31.345 31.823 0.047 0.000 0.662 183 V HN 0.583 nan 8.190 nan 0.000 0.455 184 T N -0.727 113.845 114.554 0.030 0.000 2.770 184 T HA -0.099 4.250 4.350 -0.001 0.000 0.258 184 T C 1.688 176.403 174.700 0.024 0.000 1.039 184 T CA 1.877 63.988 62.100 0.018 0.000 1.143 184 T CB -0.229 68.647 68.868 0.012 0.000 0.866 184 T HN 0.522 nan 8.240 nan 0.000 0.428 185 T N 0.299 114.871 114.554 0.030 0.000 3.054 185 T HA 0.515 4.864 4.350 -0.001 0.000 0.255 185 T C 0.943 175.668 174.700 0.041 0.000 1.035 185 T CA 0.175 62.293 62.100 0.030 0.000 0.941 185 T CB 0.147 69.025 68.868 0.017 0.000 1.026 185 T HN 0.701 nan 8.240 nan 0.000 0.533 186 G N 1.962 110.794 108.800 0.055 0.000 2.796 186 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.226 186 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.226 186 G C -0.880 174.056 174.900 0.060 0.000 1.381 186 G CA -0.697 44.447 45.100 0.073 0.000 0.867 186 G HN 0.366 nan 8.290 nan 0.000 0.552 187 N N -0.109 118.637 118.700 0.076 0.000 3.091 187 N HA 0.634 5.373 4.740 -0.001 0.000 0.329 187 N C -0.634 174.924 175.510 0.081 0.000 1.430 187 N CA -0.595 52.493 53.050 0.064 0.000 0.755 187 N CB 1.722 40.247 38.487 0.065 0.000 1.626 187 N HN 0.730 nan 8.380 nan 0.000 0.614 188 E N 0.378 120.626 120.200 0.080 0.000 2.367 188 E HA 0.315 4.664 4.350 -0.001 0.000 0.273 188 E C -1.124 175.553 176.600 0.129 0.000 0.903 188 E CA -0.701 55.763 56.400 0.107 0.000 0.764 188 E CB 1.731 31.478 29.700 0.079 0.000 1.252 188 E HN 0.397 nan 8.360 nan 0.000 0.446 189 N N 1.242 120.035 118.700 0.155 0.000 2.696 189 N HA -0.193 4.546 4.740 -0.001 0.000 0.256 189 N C -0.906 174.740 175.510 0.227 0.000 1.031 189 N CA 0.903 54.082 53.050 0.214 0.000 0.730 189 N CB -1.189 37.477 38.487 0.298 0.000 0.894 189 N HN 0.442 nan 8.380 nan 0.000 0.544 190 I N 0.408 121.017 120.570 0.064 0.000 2.392 190 I HA 0.403 4.572 4.170 -0.001 0.000 0.295 190 I C -0.001 176.092 176.117 -0.040 0.000 0.985 190 I CA -0.475 60.895 61.300 0.116 0.000 1.221 190 I CB 0.659 38.713 38.000 0.091 0.000 1.366 190 I HN -0.087 nan 8.210 nan 0.000 0.467 191 F N 6.521 126.573 119.950 0.171 0.000 2.553 191 F HA 0.511 5.037 4.527 -0.001 0.000 0.335 191 F C -0.545 175.356 175.800 0.168 0.000 1.148 191 F CA -0.489 57.614 58.000 0.172 0.000 0.963 191 F CB 1.225 40.283 39.000 0.096 0.000 1.217 191 F HN 0.103 nan 8.300 nan 0.000 0.441 192 L N 3.398 124.795 121.223 0.289 0.000 2.325 192 L HA 0.702 5.041 4.340 -0.001 0.000 0.281 192 L C -0.549 176.395 176.870 0.123 0.000 1.004 192 L CA -0.411 54.590 54.840 0.268 0.000 0.823 192 L CB 1.809 44.007 42.059 0.231 0.000 1.236 192 L HN 0.490 nan 8.230 nan 0.000 0.415 193 S N 0.606 116.401 115.700 0.158 0.000 2.571 193 S HA 0.450 4.920 4.470 -0.001 0.000 0.284 193 S C -0.238 174.367 174.600 0.009 0.000 1.128 193 S CA -0.750 57.477 58.200 0.045 0.000 0.970 193 S CB 1.868 65.150 63.200 0.136 0.000 1.039 193 S HN 0.606 nan 8.310 nan 0.000 0.485 194 S N 1.188 116.817 115.700 -0.120 0.000 3.766 194 S HA -0.133 4.336 4.470 -0.001 0.000 0.416 194 S C -0.514 174.130 174.600 0.073 0.000 0.902 194 S CA 1.040 59.225 58.200 -0.024 0.000 1.283 194 S CB -1.901 61.342 63.200 0.071 0.000 0.891 194 S HN 1.061 nan 8.310 nan 0.000 0.556 195 F N -2.796 117.155 119.950 0.001 0.000 2.678 195 F HA 0.744 5.270 4.527 -0.001 0.000 0.308 195 F C -0.266 175.534 175.800 -0.001 0.000 1.118 195 F CA -1.190 56.798 58.000 -0.018 0.000 0.959 195 F CB 0.755 39.714 39.000 -0.068 0.000 1.305 195 F HN -0.080 nan 8.300 nan 0.000 0.443 196 T N 3.005 117.704 114.554 0.242 0.000 2.856 196 T HA 0.609 4.959 4.350 -0.001 0.000 0.292 196 T C -0.448 174.375 174.700 0.204 0.000 0.980 196 T CA -0.321 61.874 62.100 0.158 0.000 1.091 196 T CB 0.833 69.772 68.868 0.118 0.000 0.936 196 T HN 0.545 nan 8.240 nan 0.000 0.503 197 L N 3.393 124.695 121.223 0.132 0.000 2.318 197 L HA 0.361 4.700 4.340 -0.001 0.000 0.277 197 L C -0.076 176.815 176.870 0.035 0.000 1.008 197 L CA -0.774 54.114 54.840 0.081 0.000 0.846 197 L CB 1.231 43.341 42.059 0.086 0.000 1.220 197 L HN 0.548 nan 8.230 nan 0.000 0.423 198 D N 2.485 122.895 120.400 0.017 0.000 2.396 198 D HA 0.166 4.805 4.640 -0.001 0.000 0.225 198 D C 1.119 177.433 176.300 0.022 0.000 1.121 198 D CA -0.177 53.840 54.000 0.029 0.000 0.853 198 D CB 2.117 42.942 40.800 0.042 0.000 1.043 198 D HN 0.645 nan 8.370 nan 0.000 0.500 199 G N 3.358 112.190 108.800 0.055 0.000 2.509 199 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 199 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 199 G C 0.914 175.957 174.900 0.238 0.000 1.124 199 G CA 0.091 45.267 45.100 0.127 0.000 0.776 199 G HN 0.881 nan 8.290 nan 0.000 0.547 200 N N -0.414 118.376 118.700 0.150 0.000 2.714 200 N HA -0.258 4.481 4.740 -0.001 0.000 0.253 200 N C 1.028 176.604 175.510 0.110 0.000 1.024 200 N CA 0.500 53.630 53.050 0.133 0.000 0.726 200 N CB -0.996 37.590 38.487 0.166 0.000 0.908 200 N HN 0.447 nan 8.380 nan 0.000 0.542 201 N N 0.751 119.503 118.700 0.086 0.000 2.331 201 N HA -0.075 4.665 4.740 -0.001 0.000 0.180 201 N C 1.655 177.181 175.510 0.028 0.000 1.019 201 N CA 1.217 54.299 53.050 0.052 0.000 0.881 201 N CB 0.077 38.591 38.487 0.045 0.000 0.972 201 N HN 0.380 nan 8.380 nan 0.000 0.435 202 K N 0.795 121.213 120.400 0.030 0.000 2.144 202 K HA -0.273 4.046 4.320 -0.001 0.000 0.209 202 K C 1.979 178.586 176.600 0.012 0.000 1.047 202 K CA 1.736 58.034 56.287 0.018 0.000 0.927 202 K CB -0.148 32.366 32.500 0.024 0.000 0.716 202 K HN 0.377 nan 8.250 nan 0.000 0.454 203 R N 0.469 120.979 120.500 0.016 0.000 2.193 203 R HA -0.139 4.201 4.340 -0.001 0.000 0.229 203 R C 1.764 178.059 176.300 -0.008 0.000 1.110 203 R CA 1.490 57.593 56.100 0.005 0.000 0.988 203 R CB -0.374 29.928 30.300 0.005 0.000 0.871 203 R HN 0.234 nan 8.270 nan 0.000 0.458 204 L N 0.009 121.227 121.223 -0.010 0.000 2.477 204 L HA 0.306 4.646 4.340 -0.001 0.000 0.220 204 L C 1.065 177.927 176.870 -0.015 0.000 1.106 204 L CA 0.423 55.252 54.840 -0.018 0.000 0.851 204 L CB -0.006 42.040 42.059 -0.021 0.000 0.994 204 L HN 0.596 nan 8.230 nan 0.000 0.462 205 G N -0.421 108.372 108.800 -0.010 0.000 2.422 205 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.607 205 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.607 205 G C -1.127 173.765 174.900 -0.013 0.000 1.270 205 G CA -0.920 44.173 45.100 -0.011 0.000 0.992 205 G HN -0.083 nan 8.290 nan 0.000 0.499 206 Q N 0.442 120.233 119.800 -0.016 0.000 2.304 206 Q HA 0.497 4.836 4.340 -0.001 0.000 0.260 206 Q C 1.084 177.070 176.000 -0.023 0.000 0.965 206 Q CA 0.934 56.725 55.803 -0.020 0.000 0.898 206 Q CB 0.811 29.536 28.738 -0.022 0.000 1.196 206 Q HN 2.478 nan 8.270 nan 0.000 0.402 207 G N 3.259 112.043 108.800 -0.027 0.000 2.298 207 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.287 207 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.287 207 G C -0.154 174.733 174.900 -0.021 0.000 1.075 207 G CA -0.039 45.044 45.100 -0.029 0.000 0.960 207 G HN 0.516 nan 8.290 nan 0.000 0.502 208 I N -0.091 120.470 120.570 -0.016 0.000 2.509 208 I HA 0.684 4.853 4.170 -0.001 0.000 0.293 208 I C 0.354 176.468 176.117 -0.005 0.000 1.020 208 I CA -0.799 60.493 61.300 -0.012 0.000 1.088 208 I CB 2.138 40.129 38.000 -0.015 0.000 1.267 208 I HN 0.207 nan 8.210 nan 0.000 0.430 209 S N 2.726 118.424 115.700 -0.004 0.000 2.751 209 S HA 0.728 5.197 4.470 -0.001 0.000 0.310 209 S C 0.024 174.616 174.600 -0.013 0.000 1.128 209 S CA -0.459 57.741 58.200 -0.001 0.000 0.931 209 S CB 1.636 64.843 63.200 0.011 0.000 1.177 209 S HN 0.823 nan 8.310 nan 0.000 0.530 210 G N 0.807 109.592 108.800 -0.025 0.000 2.368 210 G HA2 0.195 4.154 3.960 -0.001 0.000 0.233 210 G HA3 0.195 4.154 3.960 -0.001 0.000 0.233 210 G C 0.723 175.604 174.900 -0.033 0.000 1.267 210 G CA 0.315 45.392 45.100 -0.039 0.000 0.873 210 G HN 0.765 nan 8.290 nan 0.000 0.539 211 I N -0.367 120.177 120.570 -0.042 0.000 3.564 211 I HA 0.471 4.640 4.170 -0.001 0.000 0.294 211 I C 1.064 177.157 176.117 -0.040 0.000 1.289 211 I CA -0.033 61.243 61.300 -0.039 0.000 1.325 211 I CB -0.510 37.463 38.000 -0.045 0.000 1.039 211 I HN 0.800 nan 8.210 nan 0.000 0.474 212 G N -0.747 108.024 108.800 -0.048 0.000 2.277 212 G HA2 0.510 4.469 3.960 -0.001 0.000 0.272 212 G HA3 0.510 4.469 3.960 -0.001 0.000 0.272 212 G C -0.194 174.640 174.900 -0.111 0.000 1.692 212 G CA -0.283 44.787 45.100 -0.049 0.000 0.926 212 G HN 0.977 nan 8.290 nan 0.000 0.720 213 G N 0.800 109.518 108.800 -0.137 0.000 2.598 213 G HA2 0.161 4.121 3.960 -0.001 0.000 0.244 213 G HA3 0.161 4.121 3.960 -0.001 0.000 0.244 213 G C 1.435 175.974 174.900 -0.601 0.000 1.302 213 G CA 0.919 45.760 45.100 -0.433 0.000 0.903 213 G HN 2.335 nan 8.290 nan 0.000 0.575 214 S N -0.054 115.168 115.700 -0.798 0.000 2.701 214 S HA 0.223 4.692 4.470 -0.001 0.000 0.220 214 S C 0.987 175.471 174.600 -0.193 0.000 0.954 214 S CA 0.807 58.738 58.200 -0.448 0.000 0.936 214 S CB -0.023 62.955 63.200 -0.371 0.000 0.777 214 S HN 0.727 nan 8.310 nan 0.000 0.518 215 R N 1.764 122.139 120.500 -0.207 0.000 2.491 215 R HA 0.266 4.606 4.340 -0.001 0.000 0.283 215 R C 0.084 176.332 176.300 -0.087 0.000 1.072 215 R CA 0.071 56.078 56.100 -0.154 0.000 1.048 215 R CB -0.024 30.187 30.300 -0.149 0.000 0.983 215 R HN 0.411 nan 8.270 nan 0.000 0.450 216 E N -0.487 119.688 120.200 -0.041 0.000 3.293 216 E HA -0.136 4.213 4.350 -0.001 0.000 0.316 216 E C -0.888 175.747 176.600 0.059 0.000 0.881 216 E CA 0.194 56.612 56.400 0.030 0.000 1.096 216 E CB -1.198 28.502 29.700 0.000 0.000 1.543 216 E HN 0.566 nan 8.360 nan 0.000 0.406 217 S N 0.157 115.897 115.700 0.066 0.000 2.672 217 S HA 0.278 4.747 4.470 -0.001 0.000 0.276 217 S C 1.106 175.774 174.600 0.114 0.000 1.207 217 S CA -0.698 57.562 58.200 0.099 0.000 1.002 217 S CB 0.958 64.246 63.200 0.147 0.000 0.998 217 S HN 0.189 nan 8.310 nan 0.000 0.542 218 N N 0.038 118.796 118.700 0.097 0.000 2.396 218 N HA 0.101 4.841 4.740 -0.001 0.000 0.180 218 N C -0.374 175.174 175.510 0.065 0.000 1.028 218 N CA 0.592 53.678 53.050 0.061 0.000 0.893 218 N CB -0.265 38.252 38.487 0.049 0.000 0.967 218 N HN 0.332 nan 8.380 nan 0.000 0.440 219 L N -0.786 120.491 121.223 0.091 0.000 2.526 219 L HA 0.473 4.812 4.340 -0.001 0.000 0.263 219 L C -1.401 175.543 176.870 0.124 0.000 0.943 219 L CA -0.351 54.552 54.840 0.105 0.000 0.859 219 L CB 2.098 44.204 42.059 0.080 0.000 1.313 219 L HN -0.302 nan 8.230 nan 0.000 0.406 220 S N 6.009 121.801 115.700 0.154 0.000 2.779 220 S HA 0.668 5.137 4.470 -0.001 0.000 0.293 220 S C -0.975 173.715 174.600 0.149 0.000 1.150 220 S CA -0.425 57.861 58.200 0.144 0.000 1.057 220 S CB 1.105 64.368 63.200 0.105 0.000 1.021 220 S HN 0.393 nan 8.310 nan 0.000 0.485 221 I N 4.001 124.639 120.570 0.113 0.000 2.328 221 I HA 0.396 4.566 4.170 -0.001 0.000 0.287 221 I C 0.194 176.365 176.117 0.090 0.000 1.012 221 I CA -0.383 60.976 61.300 0.098 0.000 1.195 221 I CB 0.876 38.914 38.000 0.064 0.000 1.350 221 I HN 0.469 nan 8.210 nan 0.000 0.464 222 R N 4.484 125.041 120.500 0.096 0.000 2.437 222 R HA 0.625 4.965 4.340 -0.001 0.000 0.310 222 R C 0.687 177.037 176.300 0.083 0.000 0.955 222 R CA -0.551 55.598 56.100 0.081 0.000 0.851 222 R CB 1.774 32.111 30.300 0.061 0.000 1.161 222 R HN 0.705 nan 8.270 nan 0.000 0.446 223 A N 1.139 124.006 122.820 0.079 0.000 2.790 223 A HA -0.223 4.096 4.320 -0.001 0.000 0.277 223 A C 0.139 177.821 177.584 0.162 0.000 1.435 223 A CA 0.869 52.966 52.037 0.101 0.000 0.877 223 A CB -2.213 16.837 19.000 0.083 0.000 1.007 223 A HN 0.707 nan 8.150 nan 0.000 0.613 224 C N 0.359 119.741 119.300 0.138 0.000 2.405 224 C HA 0.645 5.104 4.460 -0.001 0.000 0.365 224 C C 0.723 175.839 174.990 0.210 0.000 1.233 224 C CA -0.483 58.640 59.018 0.174 0.000 2.230 224 C CB 0.343 28.145 27.740 0.104 0.000 2.443 224 C HN 0.609 nan 8.230 nan 0.000 0.556 225 H N 2.595 121.686 119.070 0.035 0.000 2.492 225 H HA 0.240 4.795 4.556 -0.001 0.000 0.345 225 H C -0.347 175.003 175.328 0.036 0.000 1.136 225 H CA -0.388 55.685 56.048 0.043 0.000 1.202 225 H CB 1.042 30.842 29.762 0.063 0.000 1.524 225 H HN 0.777 nan 8.280 nan 0.000 0.506 226 N N 1.217 119.974 118.700 0.095 0.000 2.608 226 N HA -0.166 4.573 4.740 -0.001 0.000 0.273 226 N C -1.039 174.428 175.510 -0.073 0.000 1.133 226 N CA 0.266 53.343 53.050 0.045 0.000 0.726 226 N CB -1.231 37.403 38.487 0.245 0.000 0.890 226 N HN 0.179 nan 8.380 nan 0.000 0.548 227 V N 1.747 121.512 119.914 -0.249 0.000 2.417 227 V HA 0.437 4.557 4.120 -0.001 0.000 0.291 227 V C -0.350 175.526 176.094 -0.364 0.000 1.024 227 V CA -0.619 61.556 62.300 -0.209 0.000 0.861 227 V CB 1.235 33.011 31.823 -0.077 0.000 0.985 227 V HN 0.257 nan 8.190 nan 0.000 0.436 228 Y N 4.900 125.047 120.300 -0.255 0.000 2.376 228 Y HA 0.630 5.180 4.550 -0.001 0.000 0.326 228 Y C -0.055 175.839 175.900 -0.010 0.000 0.970 228 Y CA -0.834 57.200 58.100 -0.110 0.000 1.248 228 Y CB 1.291 39.602 38.460 -0.248 0.000 1.117 228 Y HN 0.451 nan 8.280 nan 0.000 0.476 229 I N 4.850 125.508 120.570 0.145 0.000 2.355 229 I HA 0.514 4.683 4.170 -0.001 0.000 0.288 229 I C -0.262 175.906 176.117 0.086 0.000 0.999 229 I CA -0.561 60.792 61.300 0.089 0.000 1.163 229 I CB 1.011 39.035 38.000 0.040 0.000 1.316 229 I HN 0.472 nan 8.210 nan 0.000 0.454 230 R N 3.840 124.372 120.500 0.052 0.000 2.686 230 R HA 0.271 4.610 4.340 -0.001 0.000 0.286 230 R C -0.623 175.658 176.300 -0.033 0.000 0.969 230 R CA -0.920 55.208 56.100 0.047 0.000 0.898 230 R CB 1.616 31.971 30.300 0.091 0.000 1.183 230 R HN 0.617 nan 8.270 nan 0.000 0.456 231 D N 1.568 121.962 120.400 -0.011 0.000 2.708 231 D HA -0.158 4.482 4.640 -0.001 0.000 0.236 231 D C -0.773 175.456 176.300 -0.119 0.000 1.146 231 D CA 0.721 54.704 54.000 -0.028 0.000 0.662 231 D CB -0.351 40.449 40.800 -0.000 0.000 1.059 231 D HN 0.268 nan 8.370 nan 0.000 0.428 232 I N 1.014 121.491 120.570 -0.155 0.000 2.359 232 I HA 0.298 4.468 4.170 -0.001 0.000 0.294 232 I C 0.731 176.788 176.117 -0.101 0.000 0.987 232 I CA -0.481 60.665 61.300 -0.257 0.000 1.225 232 I CB 1.488 39.281 38.000 -0.344 0.000 1.366 232 I HN 0.125 nan 8.210 nan 0.000 0.466 233 E N 4.928 125.090 120.200 -0.063 0.000 2.133 233 E HA 0.621 4.970 4.350 -0.001 0.000 0.274 233 E C -1.085 175.524 176.600 0.015 0.000 0.930 233 E CA -0.670 55.735 56.400 0.009 0.000 0.770 233 E CB 1.566 31.296 29.700 0.049 0.000 1.104 233 E HN 0.727 nan 8.360 nan 0.000 0.403 234 A N 4.785 127.613 122.820 0.013 0.000 2.277 234 A HA 0.496 4.815 4.320 -0.001 0.000 0.318 234 A C -0.737 176.865 177.584 0.031 0.000 1.339 234 A CA -0.581 51.469 52.037 0.022 0.000 0.875 234 A CB 0.705 19.710 19.000 0.008 0.000 1.158 234 A HN 0.394 nan 8.150 nan 0.000 0.514 235 V N 1.656 121.594 119.914 0.041 0.000 2.881 235 V HA 0.443 4.562 4.120 -0.001 0.000 0.316 235 V C 0.295 176.417 176.094 0.047 0.000 1.070 235 V CA -0.413 61.908 62.300 0.036 0.000 0.976 235 V CB 1.512 33.359 31.823 0.040 0.000 1.038 235 V HN 1.003 nan 8.190 nan 0.000 0.446 236 D N 1.274 121.695 120.400 0.035 0.000 3.003 236 D HA -0.187 4.452 4.640 -0.001 0.000 0.223 236 D C -0.335 176.007 176.300 0.070 0.000 1.204 236 D CA 0.392 54.416 54.000 0.040 0.000 0.828 236 D CB -0.669 40.154 40.800 0.040 0.000 0.918 236 D HN 0.732 nan 8.370 nan 0.000 0.401 237 C N 1.476 120.831 119.300 0.092 0.000 2.365 237 C HA 0.518 4.977 4.460 -0.001 0.000 0.351 237 C C 2.113 177.164 174.990 0.102 0.000 1.240 237 C CA -0.584 58.505 59.018 0.118 0.000 2.062 237 C CB 1.286 29.123 27.740 0.163 0.000 2.387 237 C HN 0.571 nan 8.230 nan 0.000 0.537 238 T N 1.049 115.657 114.554 0.090 0.000 2.770 238 T HA -0.044 4.305 4.350 -0.001 0.000 0.258 238 T C 1.439 176.156 174.700 0.029 0.000 1.039 238 T CA 1.009 63.142 62.100 0.055 0.000 1.143 238 T CB -0.010 68.888 68.868 0.049 0.000 0.866 238 T HN 0.573 nan 8.240 nan 0.000 0.428 239 L N -0.986 120.236 121.223 -0.002 0.000 2.838 239 L HA 0.319 4.659 4.340 -0.001 0.000 0.184 239 L C 0.446 177.247 176.870 -0.114 0.000 1.336 239 L CA -0.193 54.563 54.840 -0.139 0.000 2.330 239 L CB 0.269 42.181 42.059 -0.244 0.000 2.220 239 L HN 0.264 nan 8.230 nan 0.000 1.026 240 H N -1.081 118.050 119.070 0.102 0.000 2.508 240 H HA 0.227 4.783 4.556 -0.001 0.000 0.344 240 H C 0.541 175.870 175.328 0.000 0.000 1.192 240 H CA 0.041 56.103 56.048 0.024 0.000 1.290 240 H CB 1.382 31.155 29.762 0.018 0.000 1.571 240 H HN 0.470 nan 8.280 nan 0.000 0.555 241 G N 0.946 109.760 108.800 0.024 0.000 2.496 241 G HA2 0.017 3.977 3.960 -0.001 0.000 0.214 241 G HA3 0.017 3.977 3.960 -0.001 0.000 0.214 241 G C 0.413 175.318 174.900 0.008 0.000 1.234 241 G CA 0.356 45.449 45.100 -0.013 0.000 0.807 241 G HN 0.493 nan 8.290 nan 0.000 0.543 242 I N 0.526 121.072 120.570 -0.041 0.000 2.466 242 I HA 0.372 4.541 4.170 -0.001 0.000 0.289 242 I C -1.713 174.392 176.117 -0.021 0.000 1.026 242 I CA -0.739 60.554 61.300 -0.012 0.000 1.078 242 I CB 2.469 40.447 38.000 -0.037 0.000 1.249 242 I HN 0.004 nan 8.210 nan 0.000 0.429 243 D N 7.155 127.585 120.400 0.050 0.000 2.629 243 D HA 0.485 5.125 4.640 -0.001 0.000 0.250 243 D C -1.158 175.193 176.300 0.084 0.000 1.126 243 D CA -0.355 53.681 54.000 0.060 0.000 0.852 243 D CB 1.560 42.499 40.800 0.232 0.000 1.335 243 D HN 0.149 nan 8.370 nan 0.000 0.518 244 I N 2.955 123.558 120.570 0.054 0.000 2.378 244 I HA 0.462 4.631 4.170 -0.001 0.000 0.291 244 I C 0.575 176.769 176.117 0.128 0.000 0.992 244 I CA -0.487 60.844 61.300 0.052 0.000 1.154 244 I CB 0.700 38.682 38.000 -0.031 0.000 1.315 244 I HN 0.395 nan 8.210 nan 0.000 0.448 245 T N 4.926 119.568 114.554 0.147 0.000 2.681 245 T HA 0.534 4.883 4.350 -0.001 0.000 0.296 245 T C -0.152 174.628 174.700 0.132 0.000 1.157 245 T CA -0.340 61.886 62.100 0.210 0.000 1.025 245 T CB 1.230 70.286 68.868 0.313 0.000 1.441 245 T HN 0.808 nan 8.240 nan 0.000 0.504 246 C N 0.392 119.778 119.300 0.142 0.000 2.517 246 C HA 0.933 5.392 4.460 -0.001 0.000 0.357 246 C C 1.453 176.466 174.990 0.038 0.000 1.485 246 C CA -0.318 58.744 59.018 0.073 0.000 2.148 246 C CB -0.986 26.780 27.740 0.044 0.000 2.019 246 C HN 1.061 nan 8.230 nan 0.000 0.576 247 G N -0.265 108.547 108.800 0.019 0.000 2.432 247 G HA2 0.527 4.486 3.960 -0.001 0.000 0.239 247 G HA3 0.527 4.486 3.960 -0.001 0.000 0.239 247 G C 0.472 175.356 174.900 -0.026 0.000 1.291 247 G CA 0.674 45.778 45.100 0.007 0.000 0.863 247 G HN 2.442 nan 8.290 nan 0.000 0.560 248 G N 0.222 109.002 108.800 -0.033 0.000 2.629 248 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.686 248 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.686 248 G C 0.485 175.320 174.900 -0.108 0.000 1.232 248 G CA -0.219 44.843 45.100 -0.063 0.000 0.803 248 G HN 0.866 nan 8.290 nan 0.000 0.638 249 L N 0.073 121.218 121.223 -0.130 0.000 2.209 249 L HA 0.204 4.544 4.340 -0.001 0.000 0.207 249 L C 1.074 177.778 176.870 -0.277 0.000 1.094 249 L CA 0.509 55.233 54.840 -0.193 0.000 0.790 249 L CB -0.153 41.807 42.059 -0.164 0.000 0.932 249 L HN 0.494 nan 8.230 nan 0.000 0.447 250 D N -0.934 119.339 120.400 -0.211 0.000 2.264 250 D HA 0.161 4.801 4.640 -0.001 0.000 0.249 250 D C -0.625 175.539 176.300 -0.226 0.000 1.070 250 D CA -0.177 53.692 54.000 -0.218 0.000 0.912 250 D CB 0.799 41.557 40.800 -0.070 0.000 1.193 250 D HN -0.068 nan 8.370 nan 0.000 0.427 251 Y N 1.494 121.761 120.300 -0.056 0.000 2.377 251 Y HA 0.185 4.734 4.550 -0.001 0.000 0.330 251 Y C -1.336 174.389 175.900 -0.291 0.000 1.108 251 Y CA -1.693 56.298 58.100 -0.182 0.000 1.308 251 Y CB 0.443 38.793 38.460 -0.182 0.000 1.216 251 Y HN 0.083 nan 8.280 nan 0.000 0.518 252 P HA 0.085 nan 4.420 nan 0.000 0.279 252 P C -1.453 175.591 177.300 -0.427 0.000 1.239 252 P CA -0.248 62.684 63.100 -0.280 0.000 0.789 252 P CB 0.691 32.184 31.700 -0.345 0.000 0.933 253 Y N 1.723 122.050 120.300 0.045 0.000 2.748 253 Y HA 0.296 4.845 4.550 -0.001 0.000 0.359 253 Y C 0.971 176.907 175.900 0.061 0.000 1.030 253 Y CA -0.328 57.826 58.100 0.090 0.000 1.169 253 Y CB 0.594 39.111 38.460 0.095 0.000 1.127 253 Y HN 0.108 nan 8.280 nan 0.000 0.644 254 L N 1.708 123.009 121.223 0.131 0.000 2.653 254 L HA 0.426 4.765 4.340 -0.001 0.000 0.232 254 L C 1.182 178.115 176.870 0.104 0.000 1.169 254 L CA 0.172 55.067 54.840 0.091 0.000 0.951 254 L CB -0.573 41.511 42.059 0.042 0.000 1.181 254 L HN 0.752 nan 8.230 nan 0.000 0.460 255 G N 0.439 109.330 108.800 0.152 0.000 2.698 255 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.225 255 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.225 255 G C -0.986 174.002 174.900 0.147 0.000 1.345 255 G CA -0.542 44.643 45.100 0.142 0.000 0.871 255 G HN 0.215 nan 8.290 nan 0.000 0.540 256 D N 0.145 120.627 120.400 0.137 0.000 2.283 256 D HA 0.577 5.216 4.640 -0.001 0.000 0.248 256 D C 1.421 177.748 176.300 0.046 0.000 1.072 256 D CA 1.421 55.488 54.000 0.112 0.000 0.929 256 D CB 0.703 41.574 40.800 0.118 0.000 1.182 256 D HN 2.043 nan 8.370 nan 0.000 0.433 257 G N 1.763 110.568 108.800 0.008 0.000 2.159 257 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.256 257 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.256 257 G C 0.362 175.257 174.900 -0.008 0.000 0.977 257 G CA 0.738 45.820 45.100 -0.029 0.000 0.652 257 G HN 0.827 nan 8.290 nan 0.000 0.531 258 T N -1.932 112.638 114.554 0.027 0.000 2.925 258 T HA 0.680 5.030 4.350 -0.001 0.000 0.285 258 T C -0.103 174.633 174.700 0.059 0.000 1.021 258 T CA 0.184 62.307 62.100 0.038 0.000 1.042 258 T CB 2.517 71.414 68.868 0.049 0.000 1.037 258 T HN 0.943 nan 8.240 nan 0.000 0.481 259 T N 0.633 115.220 114.554 0.055 0.000 2.815 259 T HA 0.615 4.965 4.350 -0.001 0.000 0.289 259 T C 0.127 174.857 174.700 0.051 0.000 1.000 259 T CA -0.611 61.533 62.100 0.074 0.000 0.958 259 T CB 0.090 69.002 68.868 0.073 0.000 0.944 259 T HN 1.047 nan 8.240 nan 0.000 0.442 260 A N 7.019 129.874 122.820 0.058 0.000 2.462 260 A HA 0.598 4.917 4.320 -0.001 0.000 0.243 260 A C -1.898 175.681 177.584 -0.009 0.000 1.076 260 A CA -1.023 50.999 52.037 -0.025 0.000 0.773 260 A CB -0.265 18.625 19.000 -0.183 0.000 1.010 260 A HN 0.776 nan 8.150 nan 0.000 0.493 261 P HA 0.151 nan 4.420 nan 0.000 0.274 261 P C -0.833 176.472 177.300 0.008 0.000 1.231 261 P CA -0.383 62.718 63.100 0.002 0.000 0.790 261 P CB 0.325 32.024 31.700 -0.002 0.000 0.951 262 N N -1.549 117.171 118.700 0.034 0.000 2.641 262 N HA -0.098 4.641 4.740 -0.001 0.000 0.267 262 N C -2.347 173.198 175.510 0.058 0.000 1.087 262 N CA 0.385 53.470 53.050 0.057 0.000 0.731 262 N CB -1.580 36.933 38.487 0.043 0.000 0.886 262 N HN 0.414 nan 8.380 nan 0.000 0.547 263 P HA 0.258 nan 4.420 nan 0.000 0.284 263 P C -0.025 177.269 177.300 -0.011 0.000 1.258 263 P CA -0.318 62.791 63.100 0.015 0.000 0.824 263 P CB 0.951 32.634 31.700 -0.029 0.000 1.038 264 S N 0.668 116.348 115.700 -0.034 0.000 2.576 264 S HA 0.228 4.698 4.470 -0.001 0.000 0.276 264 S C 0.022 174.500 174.600 -0.204 0.000 1.339 264 S CA 0.022 58.174 58.200 -0.079 0.000 1.039 264 S CB -0.076 63.099 63.200 -0.041 0.000 0.902 264 S HN 0.519 nan 8.310 nan 0.000 0.516 265 E N 1.365 121.396 120.200 -0.280 0.000 2.335 265 E HA 0.314 4.663 4.350 -0.001 0.000 0.280 265 E C -1.151 175.355 176.600 -0.157 0.000 0.918 265 E CA -0.598 55.627 56.400 -0.292 0.000 0.765 265 E CB 0.749 30.114 29.700 -0.557 0.000 1.218 265 E HN 0.530 nan 8.360 nan 0.000 0.425 266 N N 3.520 122.208 118.700 -0.020 0.000 2.610 266 N HA -0.135 4.604 4.740 -0.001 0.000 0.271 266 N C -1.602 173.828 175.510 -0.133 0.000 1.146 266 N CA 0.648 53.687 53.050 -0.019 0.000 0.711 266 N CB -0.674 37.855 38.487 0.069 0.000 0.883 266 N HN 0.427 nan 8.380 nan 0.000 0.548 267 I N 1.010 121.440 120.570 -0.233 0.000 2.493 267 I HA 0.469 4.639 4.170 -0.001 0.000 0.298 267 I C 0.076 175.977 176.117 -0.359 0.000 0.998 267 I CA -0.473 60.687 61.300 -0.234 0.000 1.137 267 I CB 0.984 38.880 38.000 -0.174 0.000 1.310 267 I HN 0.260 nan 8.210 nan 0.000 0.445 268 W N 6.311 127.434 121.300 -0.295 0.000 2.715 268 W HA 0.633 5.292 4.660 -0.001 0.000 0.331 268 W C -0.639 175.833 176.519 -0.077 0.000 1.031 268 W CA -0.265 56.981 57.345 -0.166 0.000 1.237 268 W CB 1.499 30.866 29.460 -0.156 0.000 1.378 268 W HN 0.168 nan 8.180 nan 0.000 0.454 269 I N 3.607 124.257 120.570 0.133 0.000 2.448 269 I HA 0.327 4.496 4.170 -0.001 0.000 0.281 269 I C -0.461 175.737 176.117 0.135 0.000 1.027 269 I CA -0.733 60.631 61.300 0.106 0.000 1.111 269 I CB 1.316 39.346 38.000 0.051 0.000 1.236 269 I HN 0.325 nan 8.210 nan 0.000 0.452 270 E N 4.808 125.094 120.200 0.144 0.000 2.293 270 E HA 0.437 4.787 4.350 -0.001 0.000 0.270 270 E C -0.394 176.271 176.600 0.108 0.000 0.879 270 E CA -0.816 55.669 56.400 0.140 0.000 0.756 270 E CB 1.383 31.184 29.700 0.168 0.000 1.208 270 E HN 0.500 nan 8.360 nan 0.000 0.428 271 N N -0.528 118.237 118.700 0.109 0.000 2.753 271 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 271 N C -0.916 174.650 175.510 0.094 0.000 1.097 271 N CA 0.715 53.823 53.050 0.096 0.000 0.786 271 N CB -1.993 36.540 38.487 0.075 0.000 1.137 271 N HN 0.374 nan 8.380 nan 0.000 0.566 272 C N 0.551 119.911 119.300 0.100 0.000 2.443 272 C HA 0.551 5.010 4.460 -0.001 0.000 0.369 272 C C 1.064 176.121 174.990 0.111 0.000 1.241 272 C CA -0.690 58.371 59.018 0.071 0.000 2.413 272 C CB 1.133 28.896 27.740 0.037 0.000 2.451 272 C HN 0.348 nan 8.230 nan 0.000 0.595 273 E N 0.394 120.640 120.200 0.077 0.000 2.234 273 E HA 0.636 4.985 4.350 -0.001 0.000 0.266 273 E C -1.216 175.388 176.600 0.007 0.000 0.877 273 E CA -0.312 56.147 56.400 0.098 0.000 0.758 273 E CB 1.520 31.318 29.700 0.164 0.000 1.170 273 E HN 0.853 nan 8.360 nan 0.000 0.415 274 A N 3.125 125.906 122.820 -0.066 0.000 2.356 274 A HA 0.708 5.027 4.320 -0.001 0.000 0.310 274 A C -0.739 176.767 177.584 -0.130 0.000 1.075 274 A CA -0.452 51.519 52.037 -0.110 0.000 0.746 274 A CB 2.095 20.940 19.000 -0.259 0.000 1.221 274 A HN 0.488 nan 8.150 nan 0.000 0.443 275 T N 0.179 114.711 114.554 -0.036 0.000 2.821 275 T HA 0.556 4.906 4.350 -0.001 0.000 0.306 275 T C 0.603 175.270 174.700 -0.055 0.000 1.313 275 T CA 0.829 62.796 62.100 -0.221 0.000 1.012 275 T CB 1.048 69.531 68.868 -0.642 0.000 1.298 275 T HN 2.493 nan 8.240 nan 0.000 0.502 276 G N 2.464 111.092 108.800 -0.287 0.000 2.395 276 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.300 276 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.300 276 G C -0.084 174.732 174.900 -0.140 0.000 0.998 276 G CA 0.989 45.947 45.100 -0.235 0.000 1.046 276 G HN 0.958 nan 8.290 nan 0.000 0.513 277 F N -2.279 117.645 119.950 -0.043 0.000 2.408 277 F HA 0.771 5.297 4.527 -0.001 0.000 0.325 277 F C 1.250 177.059 175.800 0.014 0.000 1.082 277 F CA -1.177 56.817 58.000 -0.011 0.000 1.032 277 F CB 0.658 39.655 39.000 -0.004 0.000 1.259 277 F HN 0.016 nan 8.300 nan 0.000 0.503 278 G N -0.589 108.352 108.800 0.235 0.000 2.441 278 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.212 278 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.212 278 G C 0.547 175.569 174.900 0.203 0.000 1.164 278 G CA 0.930 46.108 45.100 0.131 0.000 0.811 278 G HN 0.657 nan 8.290 nan 0.000 0.535 279 D N -0.398 120.173 120.400 0.285 0.000 2.949 279 D HA 0.142 4.781 4.640 -0.001 0.000 0.247 279 D C -0.494 176.120 176.300 0.523 0.000 1.552 279 D CA 0.078 54.276 54.000 0.330 0.000 1.231 279 D CB 0.642 41.558 40.800 0.194 0.000 0.990 279 D HN -0.005 nan 8.370 nan 0.000 0.270 280 D N -0.671 120.006 120.400 0.462 0.000 2.619 280 D HA 0.383 5.023 4.640 -0.001 0.000 0.241 280 D C 0.774 176.619 176.300 -0.758 0.000 1.087 280 D CA -0.506 53.477 54.000 -0.029 0.000 0.851 280 D CB 2.044 42.829 40.800 -0.026 0.000 1.474 280 D HN 0.296 nan 8.370 nan 0.000 0.478 281 G N 1.572 109.357 108.800 -1.692 0.000 2.552 281 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.216 281 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.216 281 G C 0.616 175.066 174.900 -0.749 0.000 1.240 281 G CA 0.694 44.819 45.100 -1.626 0.000 0.796 281 G HN 0.524 nan 8.290 nan 0.000 0.568 282 I N -0.294 119.878 120.570 -0.664 0.000 2.498 282 I HA 0.514 4.683 4.170 -0.001 0.000 0.290 282 I C -0.554 175.377 176.117 -0.310 0.000 1.032 282 I CA -0.396 60.666 61.300 -0.397 0.000 1.073 282 I CB 2.696 40.513 38.000 -0.304 0.000 1.251 282 I HN 0.091 nan 8.210 nan 0.000 0.426 283 T N 3.313 117.693 114.554 -0.290 0.000 2.894 283 T HA 0.657 5.006 4.350 -0.001 0.000 0.309 283 T C -0.870 173.632 174.700 -0.329 0.000 1.208 283 T CA -0.429 61.455 62.100 -0.361 0.000 1.016 283 T CB 1.661 70.195 68.868 -0.556 0.000 1.192 283 T HN 0.734 nan 8.240 nan 0.000 0.491 284 T N 1.110 115.395 114.554 -0.448 0.000 2.887 284 T HA 0.811 5.161 4.350 -0.001 0.000 0.288 284 T C -1.209 173.074 174.700 -0.695 0.000 1.021 284 T CA -0.704 61.162 62.100 -0.389 0.000 1.000 284 T CB 1.365 70.056 68.868 -0.295 0.000 1.034 284 T HN 0.745 nan 8.240 nan 0.000 0.467 285 H N 0.016 118.969 119.070 -0.195 0.000 2.894 285 H HA 0.454 5.009 4.556 -0.001 0.000 0.367 285 H C -0.172 175.063 175.328 -0.155 0.000 1.144 285 H CA -0.754 55.140 56.048 -0.257 0.000 1.180 285 H CB 0.888 30.578 29.762 -0.119 0.000 1.758 285 H HN 0.866 nan 8.280 nan 0.000 0.541 286 H N 0.248 119.288 119.070 -0.051 0.000 2.580 286 H HA -0.147 4.409 4.556 -0.001 0.000 0.316 286 H C -0.591 174.673 175.328 -0.107 0.000 1.073 286 H CA 1.054 57.057 56.048 -0.075 0.000 1.135 286 H CB -1.303 28.442 29.762 -0.028 0.000 1.437 286 H HN 0.430 nan 8.280 nan 0.000 0.404 287 S N 0.188 115.814 115.700 -0.123 0.000 2.595 287 S HA 0.494 4.963 4.470 -0.001 0.000 0.281 287 S C 0.062 174.478 174.600 -0.307 0.000 1.117 287 S CA -1.080 57.016 58.200 -0.173 0.000 0.873 287 S CB 3.268 66.392 63.200 -0.127 0.000 1.108 287 S HN 0.448 nan 8.310 nan 0.000 0.477 288 Q N 0.143 119.711 119.800 -0.387 0.000 2.496 288 Q HA 0.660 5.000 4.340 -0.001 0.000 0.286 288 Q C -1.384 174.327 176.000 -0.482 0.000 1.103 288 Q CA -1.162 54.292 55.803 -0.582 0.000 0.813 288 Q CB 0.973 29.149 28.738 -0.938 0.000 1.444 288 Q HN 0.786 nan 8.270 nan 0.000 0.443 289 Y N -0.610 119.622 120.300 -0.112 0.000 2.973 289 Y HA -0.187 4.362 4.550 -0.001 0.000 0.153 289 Y C -0.956 174.762 175.900 -0.303 0.000 1.748 289 Y CA -0.255 57.736 58.100 -0.181 0.000 0.920 289 Y CB -1.720 36.648 38.460 -0.153 0.000 1.478 289 Y HN 0.468 nan 8.280 nan 0.000 0.366 290 I N 2.125 122.563 120.570 -0.221 0.000 2.533 290 I HA 0.312 4.481 4.170 -0.001 0.000 0.290 290 I C -0.236 175.628 176.117 -0.423 0.000 1.056 290 I CA -0.592 60.502 61.300 -0.344 0.000 1.057 290 I CB 1.887 39.735 38.000 -0.254 0.000 1.240 290 I HN 0.354 nan 8.210 nan 0.000 0.423 291 N N 7.155 125.488 118.700 -0.612 0.000 2.476 291 N HA 0.524 5.263 4.740 -0.001 0.000 0.257 291 N C -1.073 174.295 175.510 -0.237 0.000 0.970 291 N CA -0.442 52.308 53.050 -0.500 0.000 0.938 291 N CB 1.921 39.899 38.487 -0.848 0.000 1.144 291 N HN 0.406 nan 8.380 nan 0.000 0.500 292 I N 4.418 124.903 120.570 -0.142 0.000 2.328 292 I HA 0.342 4.511 4.170 -0.001 0.000 0.287 292 I C -0.494 175.614 176.117 -0.014 0.000 1.012 292 I CA -0.361 60.918 61.300 -0.034 0.000 1.195 292 I CB 0.747 38.744 38.000 -0.005 0.000 1.350 292 I HN 0.227 nan 8.210 nan 0.000 0.464 293 L N 6.372 127.627 121.223 0.054 0.000 2.408 293 L HA 0.511 4.850 4.340 -0.001 0.000 0.268 293 L C 0.030 176.955 176.870 0.092 0.000 0.986 293 L CA -0.991 53.887 54.840 0.063 0.000 0.820 293 L CB 1.634 43.753 42.059 0.100 0.000 1.303 293 L HN 0.588 nan 8.230 nan 0.000 0.411 294 N N -0.089 118.653 118.700 0.071 0.000 2.721 294 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 294 N C -0.250 175.343 175.510 0.139 0.000 1.072 294 N CA 0.567 53.666 53.050 0.082 0.000 0.710 294 N CB -1.704 36.825 38.487 0.070 0.000 0.993 294 N HN 0.542 nan 8.380 nan 0.000 0.547 295 C N -0.236 119.192 119.300 0.213 0.000 2.365 295 C HA 0.597 5.056 4.460 -0.001 0.000 0.374 295 C C 0.566 175.844 174.990 0.479 0.000 1.318 295 C CA -0.551 58.664 59.018 0.329 0.000 2.239 295 C CB 0.680 28.666 27.740 0.411 0.000 2.144 295 C HN 0.456 nan 8.230 nan 0.000 0.581 296 Y N 0.657 121.122 120.300 0.275 0.000 2.317 296 Y HA 0.417 4.967 4.550 -0.001 0.000 0.329 296 Y C -0.578 175.462 175.900 0.233 0.000 1.101 296 Y CA -0.551 57.706 58.100 0.262 0.000 1.228 296 Y CB 0.627 39.183 38.460 0.160 0.000 1.123 296 Y HN 0.669 nan 8.280 nan 0.000 0.457 297 S N 6.152 121.870 115.700 0.030 0.000 2.451 297 S HA 0.690 5.160 4.470 -0.001 0.000 0.301 297 S C -1.177 173.415 174.600 -0.013 0.000 1.116 297 S CA -0.429 57.640 58.200 -0.218 0.000 1.093 297 S CB 0.562 63.342 63.200 -0.700 0.000 1.017 297 S HN 0.836 nan 8.310 nan 0.000 0.482 298 H N -1.155 117.858 119.070 -0.095 0.000 3.014 298 H HA 0.511 5.067 4.556 -0.001 0.000 0.337 298 H C -1.599 173.711 175.328 -0.030 0.000 1.320 298 H CA -1.115 54.888 56.048 -0.074 0.000 1.128 298 H CB 0.343 29.898 29.762 -0.345 0.000 1.862 298 H HN 0.368 nan 8.280 nan 0.000 0.536 299 D N 1.127 121.526 120.400 -0.002 0.000 2.904 299 D HA -0.110 4.530 4.640 -0.001 0.000 0.231 299 D C -2.241 173.820 176.300 -0.399 0.000 1.185 299 D CA 0.613 54.552 54.000 -0.101 0.000 0.783 299 D CB -0.736 40.065 40.800 0.002 0.000 0.961 299 D HN 0.525 nan 8.370 nan 0.000 0.409 300 P HA 0.039 nan 4.420 nan 0.000 0.272 300 P C 1.005 178.074 177.300 -0.384 0.000 1.230 300 P CA -0.235 62.302 63.100 -0.938 0.000 0.788 300 P CB 0.935 32.249 31.700 -0.643 0.000 0.949 301 R N 0.223 120.524 120.500 -0.332 0.000 2.115 301 R HA 0.064 4.403 4.340 -0.001 0.000 0.226 301 R C 1.269 177.498 176.300 -0.119 0.000 1.100 301 R CA 0.966 56.967 56.100 -0.166 0.000 0.980 301 R CB -0.245 29.988 30.300 -0.112 0.000 0.875 301 R HN 0.466 nan 8.270 nan 0.000 0.445 302 L N -1.850 119.320 121.223 -0.089 0.000 2.935 302 L HA 0.305 4.644 4.340 -0.001 0.000 0.214 302 L C 0.852 177.637 176.870 -0.142 0.000 1.574 302 L CA -0.346 54.451 54.840 -0.071 0.000 1.628 302 L CB 0.783 42.838 42.059 -0.007 0.000 2.455 302 L HN -0.135 nan 8.230 nan 0.000 0.578 303 T N -1.294 113.189 114.554 -0.118 0.000 3.328 303 T HA 0.269 4.618 4.350 -0.001 0.000 0.297 303 T C 0.300 174.990 174.700 -0.016 0.000 0.882 303 T CA 0.171 62.084 62.100 -0.310 0.000 0.906 303 T CB 0.716 69.380 68.868 -0.341 0.000 1.210 303 T HN 0.542 nan 8.240 nan 0.000 0.631 304 A N 1.898 124.768 122.820 0.084 0.000 2.911 304 A HA 0.490 4.810 4.320 -0.001 0.000 0.202 304 A C 0.711 178.400 177.584 0.175 0.000 2.026 304 A CA -0.113 51.983 52.037 0.099 0.000 0.923 304 A CB -0.327 18.724 19.000 0.086 0.000 1.859 304 A HN 0.243 nan 8.150 nan 0.000 0.782 305 N N -0.360 118.435 118.700 0.159 0.000 3.103 305 N HA 0.142 4.881 4.740 -0.001 0.000 0.305 305 N C -1.213 174.474 175.510 0.296 0.000 1.232 305 N CA 0.014 53.191 53.050 0.211 0.000 1.190 305 N CB -0.930 37.690 38.487 0.222 0.000 1.461 305 N HN 0.420 nan 8.380 nan 0.000 0.538 306 C N 2.423 121.934 119.300 0.353 0.000 2.116 306 C HA 0.376 4.836 4.460 -0.001 0.000 0.367 306 C C -0.143 175.029 174.990 0.304 0.000 1.039 306 C CA -1.240 58.015 59.018 0.395 0.000 1.465 306 C CB -1.626 26.410 27.740 0.493 0.000 1.783 306 C HN 0.492 nan 8.230 nan 0.000 0.470 307 N N 1.246 120.107 118.700 0.269 0.000 2.430 307 N HA 0.266 5.005 4.740 -0.001 0.000 0.292 307 N C 1.108 176.661 175.510 0.071 0.000 1.051 307 N CA -0.083 53.044 53.050 0.129 0.000 0.917 307 N CB 1.854 40.389 38.487 0.080 0.000 1.164 307 N HN 0.622 nan 8.380 nan 0.000 0.484 308 G N 1.402 110.236 108.800 0.057 0.000 2.514 308 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.217 308 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.217 308 G C -0.132 174.512 174.900 -0.427 0.000 1.198 308 G CA 0.975 46.033 45.100 -0.070 0.000 0.780 308 G HN 0.496 nan 8.290 nan 0.000 0.565 309 F N -0.364 119.542 119.950 -0.074 0.000 2.507 309 F HA 0.552 5.079 4.527 -0.001 0.000 0.325 309 F C -0.094 175.624 175.800 -0.136 0.000 1.116 309 F CA -1.025 56.903 58.000 -0.120 0.000 0.930 309 F CB 2.474 41.416 39.000 -0.096 0.000 1.146 309 F HN 0.052 nan 8.300 nan 0.000 0.447 310 E N 4.180 124.356 120.200 -0.041 0.000 2.279 310 E HA 0.369 4.719 4.350 -0.001 0.000 0.252 310 E C -1.352 175.123 176.600 -0.207 0.000 0.894 310 E CA -0.547 55.792 56.400 -0.100 0.000 0.785 310 E CB 0.900 30.538 29.700 -0.104 0.000 1.237 310 E HN 0.428 nan 8.360 nan 0.000 0.418 311 I N 4.133 124.594 120.570 -0.181 0.000 2.269 311 I HA 0.227 4.396 4.170 -0.001 0.000 0.293 311 I C 0.347 176.282 176.117 -0.303 0.000 1.106 311 I CA -0.132 61.009 61.300 -0.264 0.000 1.248 311 I CB -0.273 37.592 38.000 -0.226 0.000 1.444 311 I HN 0.597 nan 8.210 nan 0.000 0.497 312 D N 4.309 124.433 120.400 -0.460 0.000 2.567 312 D HA 0.185 4.825 4.640 -0.001 0.000 0.275 312 D C -0.430 175.597 176.300 -0.455 0.000 1.195 312 D CA -0.450 53.284 54.000 -0.443 0.000 1.087 312 D CB 0.974 41.478 40.800 -0.493 0.000 1.165 312 D HN 0.314 nan 8.370 nan 0.000 0.609 313 D N -0.198 119.960 120.400 -0.404 0.000 3.139 313 D HA 0.102 4.741 4.640 -0.001 0.000 0.212 313 D C 1.126 176.934 176.300 -0.819 0.000 1.084 313 D CA 1.577 55.292 54.000 -0.474 0.000 0.777 313 D CB -0.069 40.534 40.800 -0.329 0.000 1.156 313 D HN 0.701 nan 8.370 nan 0.000 0.537 314 G N 2.109 110.586 108.800 -0.539 0.000 2.184 314 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.264 314 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.264 314 G C 0.506 175.180 174.900 -0.378 0.000 0.975 314 G CA 0.532 45.390 45.100 -0.402 0.000 0.642 314 G HN 0.599 nan 8.290 nan 0.000 0.536 315 S N 1.498 116.930 115.700 -0.447 0.000 2.572 315 S HA 0.593 5.062 4.470 -0.001 0.000 0.279 315 S C 0.568 174.782 174.600 -0.644 0.000 1.341 315 S CA 0.554 58.477 58.200 -0.460 0.000 1.043 315 S CB 1.103 64.051 63.200 -0.420 0.000 0.887 315 S HN 0.995 nan 8.310 nan 0.000 0.516 316 R N 1.301 121.360 120.500 -0.734 0.000 2.716 316 R HA 0.292 4.631 4.340 -0.001 0.000 0.271 316 R C -1.390 174.441 176.300 -0.783 0.000 1.028 316 R CA -0.704 54.733 56.100 -1.106 0.000 0.883 316 R CB 0.152 29.288 30.300 -1.941 0.000 1.250 316 R HN 0.809 nan 8.270 nan 0.000 0.465 317 H N -0.866 117.986 119.070 -0.364 0.000 2.672 317 H HA -0.087 4.468 4.556 -0.001 0.000 0.325 317 H C -0.762 174.452 175.328 -0.190 0.000 1.158 317 H CA 0.667 56.604 56.048 -0.185 0.000 1.134 317 H CB -1.903 27.838 29.762 -0.035 0.000 1.553 317 H HN 0.391 nan 8.280 nan 0.000 0.419 318 V N 0.931 120.744 119.914 -0.168 0.000 2.459 318 V HA 0.427 4.546 4.120 -0.001 0.000 0.295 318 V C 0.729 176.718 176.094 -0.175 0.000 1.029 318 V CA -0.910 61.274 62.300 -0.193 0.000 0.874 318 V CB 2.628 34.310 31.823 -0.236 0.000 0.985 318 V HN 0.163 nan 8.190 nan 0.000 0.438 319 V N 6.092 125.895 119.914 -0.185 0.000 2.398 319 V HA 0.502 4.621 4.120 -0.001 0.000 0.286 319 V C -0.499 175.493 176.094 -0.170 0.000 1.026 319 V CA -0.451 61.749 62.300 -0.167 0.000 0.868 319 V CB 1.566 33.295 31.823 -0.157 0.000 0.982 319 V HN 0.632 nan 8.190 nan 0.000 0.443 320 L N 4.418 125.544 121.223 -0.160 0.000 2.325 320 L HA 0.671 5.011 4.340 -0.001 0.000 0.281 320 L C 0.004 176.803 176.870 -0.120 0.000 1.004 320 L CA 0.258 54.998 54.840 -0.166 0.000 0.823 320 L CB 1.917 43.835 42.059 -0.234 0.000 1.236 320 L HN 0.624 nan 8.230 nan 0.000 0.415 321 S N 2.973 118.620 115.700 -0.088 0.000 2.614 321 S HA 0.475 4.944 4.470 -0.001 0.000 0.288 321 S C -0.113 174.471 174.600 -0.026 0.000 1.137 321 S CA -0.543 57.630 58.200 -0.045 0.000 0.992 321 S CB 0.444 63.628 63.200 -0.027 0.000 1.026 321 S HN 0.702 nan 8.310 nan 0.000 0.486 322 N N 2.594 121.284 118.700 -0.017 0.000 2.725 322 N HA -0.144 4.596 4.740 -0.001 0.000 0.249 322 N C -0.510 174.981 175.510 -0.033 0.000 1.103 322 N CA 0.910 53.947 53.050 -0.022 0.000 0.707 322 N CB -1.491 36.991 38.487 -0.009 0.000 1.043 322 N HN 0.720 nan 8.380 nan 0.000 0.553 323 N N 0.693 119.363 118.700 -0.049 0.000 2.379 323 N HA 0.367 5.107 4.740 -0.001 0.000 0.260 323 N C 0.324 175.748 175.510 -0.143 0.000 1.254 323 N CA -0.090 52.938 53.050 -0.037 0.000 0.958 323 N CB 1.472 39.789 38.487 -0.283 0.000 1.208 323 N HN 0.208 nan 8.380 nan 0.000 0.532 324 R N -0.216 120.350 120.500 0.110 0.000 2.725 324 R HA 0.339 4.678 4.340 -0.001 0.000 0.277 324 R C -1.316 175.316 176.300 0.553 0.000 0.987 324 R CA -0.501 55.628 56.100 0.049 0.000 0.901 324 R CB 1.406 31.679 30.300 -0.045 0.000 1.207 324 R HN 0.827 nan 8.270 nan 0.000 0.463 325 S N 2.327 118.276 115.700 0.414 0.000 2.548 325 S HA 0.612 5.081 4.470 -0.001 0.000 0.286 325 S C -1.091 173.712 174.600 0.338 0.000 1.098 325 S CA -0.922 57.567 58.200 0.481 0.000 0.930 325 S CB 2.461 65.969 63.200 0.514 0.000 1.070 325 S HN 0.609 nan 8.310 nan 0.000 0.480 326 K N 0.189 120.777 120.400 0.313 0.000 2.523 326 K HA 0.528 4.848 4.320 -0.001 0.000 0.257 326 K C 0.520 177.231 176.600 0.185 0.000 0.932 326 K CA -0.045 56.388 56.287 0.244 0.000 0.812 326 K CB 1.269 33.954 32.500 0.309 0.000 1.326 326 K HN 1.457 nan 8.250 nan 0.000 0.433 327 G N 1.791 110.673 108.800 0.137 0.000 2.233 327 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.270 327 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.270 327 G C 0.049 175.013 174.900 0.107 0.000 1.011 327 G CA 0.638 45.822 45.100 0.140 0.000 0.762 327 G HN 0.584 nan 8.290 nan 0.000 0.511 328 C N -2.081 117.203 119.300 -0.027 0.000 2.380 328 C HA 0.702 5.161 4.460 -0.001 0.000 0.393 328 C C 1.612 176.201 174.990 -0.668 0.000 1.284 328 C CA -0.193 58.686 59.018 -0.232 0.000 2.033 328 C CB 0.913 28.643 27.740 -0.015 0.000 2.165 328 C HN 0.394 nan 8.230 nan 0.000 0.540 329 Y N 1.573 121.235 120.300 -1.063 0.000 2.117 329 Y HA 0.246 4.795 4.550 -0.001 0.000 0.277 329 Y C 1.370 177.069 175.900 -0.336 0.000 1.104 329 Y CA 1.715 59.314 58.100 -0.836 0.000 1.089 329 Y CB -1.012 37.117 38.460 -0.552 0.000 0.999 329 Y HN 0.688 nan 8.280 nan 0.000 0.480 330 G N -0.108 108.367 108.800 -0.542 0.000 2.325 330 G HA2 0.409 4.368 3.960 -0.001 0.000 0.298 330 G HA3 0.409 4.368 3.960 -0.001 0.000 0.298 330 G C 0.877 175.634 174.900 -0.238 0.000 1.134 330 G CA -0.073 44.732 45.100 -0.491 0.000 0.876 330 G HN 0.705 nan 8.290 nan 0.000 0.452 331 G N 1.660 110.300 108.800 -0.268 0.000 2.453 331 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.215 331 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.215 331 G C 0.599 175.451 174.900 -0.079 0.000 1.201 331 G CA 0.400 45.422 45.100 -0.128 0.000 0.784 331 G HN 0.580 nan 8.290 nan 0.000 0.545 332 I N 0.130 120.554 120.570 -0.243 0.000 2.447 332 I HA 0.324 4.493 4.170 -0.001 0.000 0.287 332 I C -1.035 175.077 176.117 -0.008 0.000 1.023 332 I CA -0.509 60.737 61.300 -0.090 0.000 1.083 332 I CB 2.598 40.514 38.000 -0.140 0.000 1.245 332 I HN 0.111 nan 8.210 nan 0.000 0.434 333 E N 7.415 127.630 120.200 0.025 0.000 2.158 333 E HA 0.557 4.906 4.350 -0.001 0.000 0.271 333 E C -1.305 175.345 176.600 0.083 0.000 0.911 333 E CA -0.614 55.825 56.400 0.065 0.000 0.767 333 E CB 1.507 31.228 29.700 0.034 0.000 1.120 333 E HN 0.519 nan 8.360 nan 0.000 0.405 334 I N 5.998 126.683 120.570 0.191 0.000 2.405 334 I HA 0.313 4.482 4.170 -0.001 0.000 0.280 334 I C -0.104 176.103 176.117 0.149 0.000 1.027 334 I CA -0.406 60.911 61.300 0.027 0.000 1.161 334 I CB 0.678 38.524 38.000 -0.256 0.000 1.300 334 I HN 0.500 nan 8.210 nan 0.000 0.463 335 K N 5.446 125.889 120.400 0.073 0.000 2.175 335 K HA 1.009 5.328 4.320 -0.001 0.000 0.257 335 K C -1.362 175.161 176.600 -0.128 0.000 1.026 335 K CA -0.893 55.451 56.287 0.095 0.000 0.866 335 K CB 2.075 34.642 32.500 0.113 0.000 1.474 335 K HN 0.390 nan 8.250 nan 0.000 0.442 336 A N -0.114 122.588 122.820 -0.197 0.000 2.586 336 A HA 0.518 4.838 4.320 -0.001 0.000 0.290 336 A C -1.612 175.890 177.584 -0.136 0.000 1.086 336 A CA -0.895 50.956 52.037 -0.311 0.000 0.665 336 A CB 0.727 19.420 19.000 -0.513 0.000 1.279 336 A HN 0.689 nan 8.150 nan 0.000 0.423 337 H N -0.360 118.821 119.070 0.185 0.000 2.499 337 H HA 0.426 4.981 4.556 -0.001 0.000 0.352 337 H C 1.745 177.271 175.328 0.329 0.000 1.237 337 H CA 0.279 56.484 56.048 0.261 0.000 1.343 337 H CB 0.974 30.920 29.762 0.307 0.000 1.578 337 H HN 0.900 nan 8.280 nan 0.000 0.577 338 G N 0.429 109.445 108.800 0.360 0.000 2.574 338 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 338 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 338 G C 0.719 175.791 174.900 0.288 0.000 1.173 338 G CA 0.952 46.183 45.100 0.219 0.000 0.772 338 G HN 0.578 nan 8.290 nan 0.000 0.585 339 D N 1.080 121.653 120.400 0.288 0.000 2.325 339 D HA 0.412 5.052 4.640 -0.001 0.000 0.234 339 D C 0.808 177.343 176.300 0.392 0.000 1.122 339 D CA 0.462 54.639 54.000 0.295 0.000 0.850 339 D CB 0.420 41.358 40.800 0.229 0.000 0.921 339 D HN 0.334 nan 8.370 nan 0.000 0.513 340 A N 1.537 124.603 122.820 0.410 0.000 2.355 340 A HA 0.608 4.928 4.320 -0.001 0.000 0.324 340 A C -2.622 175.077 177.584 0.192 0.000 1.117 340 A CA -1.526 50.686 52.037 0.291 0.000 0.785 340 A CB 1.752 20.904 19.000 0.253 0.000 1.254 340 A HN -0.178 nan 8.150 nan 0.000 0.453 341 P HA 0.362 nan 4.420 nan 0.000 0.275 341 P C -0.167 177.002 177.300 -0.218 0.000 1.227 341 P CA 0.144 63.233 63.100 -0.019 0.000 0.781 341 P CB 1.172 32.891 31.700 0.031 0.000 0.906 342 A N 3.328 125.893 122.820 -0.426 0.000 2.407 342 A HA 0.490 4.809 4.320 -0.001 0.000 0.248 342 A C 0.630 178.121 177.584 -0.155 0.000 1.082 342 A CA -0.301 51.424 52.037 -0.521 0.000 0.785 342 A CB -0.300 18.224 19.000 -0.792 0.000 1.020 342 A HN 0.635 nan 8.150 nan 0.000 0.489 343 A N 1.357 124.094 122.820 -0.138 0.000 2.524 343 A HA 0.496 4.815 4.320 -0.001 0.000 0.250 343 A C -0.167 177.439 177.584 0.037 0.000 1.078 343 A CA 0.402 52.352 52.037 -0.145 0.000 0.761 343 A CB -0.677 18.206 19.000 -0.196 0.000 1.012 343 A HN 1.510 nan 8.150 nan 0.000 0.500 344 Y N 0.089 120.298 120.300 -0.151 0.000 2.576 344 Y HA 0.639 5.188 4.550 -0.001 0.000 0.346 344 Y C 0.119 175.905 175.900 -0.190 0.000 1.018 344 Y CA -1.726 56.311 58.100 -0.104 0.000 1.050 344 Y CB 0.952 39.347 38.460 -0.109 0.000 1.280 344 Y HN 0.682 nan 8.280 nan 0.000 0.474 345 N N 1.018 119.745 118.700 0.045 0.000 2.671 345 N HA -0.148 4.591 4.740 -0.001 0.000 0.261 345 N C -1.682 173.743 175.510 -0.141 0.000 1.053 345 N CA 0.552 53.592 53.050 -0.017 0.000 0.732 345 N CB -0.784 37.772 38.487 0.113 0.000 0.887 345 N HN 0.652 nan 8.380 nan 0.000 0.546 346 I N -0.041 120.415 120.570 -0.189 0.000 2.404 346 I HA 0.371 4.541 4.170 -0.001 0.000 0.293 346 I C 0.739 176.723 176.117 -0.222 0.000 0.992 346 I CA -0.642 60.515 61.300 -0.239 0.000 1.149 346 I CB 1.363 39.172 38.000 -0.317 0.000 1.315 346 I HN 0.286 nan 8.210 nan 0.000 0.446 347 S N 6.842 122.432 115.700 -0.184 0.000 2.501 347 S HA 0.785 5.255 4.470 -0.001 0.000 0.301 347 S C -0.714 173.785 174.600 -0.168 0.000 1.096 347 S CA -0.536 57.568 58.200 -0.161 0.000 1.063 347 S CB 1.029 64.161 63.200 -0.113 0.000 1.042 347 S HN 0.417 nan 8.310 nan 0.000 0.494 348 I N 4.270 124.746 120.570 -0.156 0.000 2.448 348 I HA 0.316 4.485 4.170 -0.001 0.000 0.281 348 I C -0.429 175.632 176.117 -0.093 0.000 1.027 348 I CA -0.603 60.620 61.300 -0.129 0.000 1.111 348 I CB 1.610 39.531 38.000 -0.132 0.000 1.236 348 I HN 0.538 nan 8.210 nan 0.000 0.452 349 N N 5.854 124.511 118.700 -0.072 0.000 3.083 349 N HA 0.428 5.168 4.740 -0.001 0.000 0.260 349 N C 0.011 175.504 175.510 -0.028 0.000 1.163 349 N CA 0.362 53.383 53.050 -0.049 0.000 1.060 349 N CB 0.390 38.852 38.487 -0.041 0.000 1.345 349 N HN 0.871 nan 8.380 nan 0.000 0.515 350 G N 1.611 110.399 108.800 -0.020 0.000 2.862 350 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.686 350 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.686 350 G C -1.263 173.685 174.900 0.080 0.000 1.134 350 G CA -0.487 44.621 45.100 0.012 0.000 0.791 350 G HN 0.862 nan 8.290 nan 0.000 0.592 351 H N 1.420 120.494 119.070 0.007 0.000 3.079 351 H HA 0.688 5.244 4.556 -0.001 0.000 0.356 351 H C -0.598 174.802 175.328 0.120 0.000 1.221 351 H CA -0.845 55.236 56.048 0.056 0.000 1.185 351 H CB 1.484 31.332 29.762 0.144 0.000 1.882 351 H HN 0.769 nan 8.280 nan 0.000 0.543 352 M N 4.168 123.459 119.600 -0.514 0.000 2.167 352 M HA 0.339 4.818 4.480 -0.001 0.000 0.333 352 M C -1.087 175.013 176.300 -0.334 0.000 1.030 352 M CA -0.559 54.583 55.300 -0.264 0.000 0.963 352 M CB 1.086 33.576 32.600 -0.184 0.000 1.589 352 M HN 0.556 nan 8.290 nan 0.000 0.431 353 S N 4.816 120.522 115.700 0.011 0.000 2.498 353 S HA 0.597 5.067 4.470 -0.001 0.000 0.324 353 S C -1.140 173.485 174.600 0.043 0.000 1.071 353 S CA -0.630 57.600 58.200 0.049 0.000 1.113 353 S CB 0.639 63.779 63.200 -0.100 0.000 0.976 353 S HN 0.546 nan 8.310 nan 0.000 0.462 354 V N 5.360 125.313 119.914 0.065 0.000 2.398 354 V HA 0.450 4.569 4.120 -0.001 0.000 0.286 354 V C 0.582 176.722 176.094 0.077 0.000 1.026 354 V CA -0.627 61.716 62.300 0.070 0.000 0.868 354 V CB 0.878 32.744 31.823 0.072 0.000 0.982 354 V HN 1.083 nan 8.190 nan 0.000 0.443 355 E N 1.468 121.711 120.200 0.072 0.000 2.494 355 E HA -0.218 4.131 4.350 -0.001 0.000 0.249 355 E C 0.047 176.682 176.600 0.058 0.000 1.184 355 E CA 0.678 57.122 56.400 0.074 0.000 0.727 355 E CB -0.523 29.229 29.700 0.086 0.000 1.281 355 E HN 0.825 nan 8.360 nan 0.000 0.405 356 D N -1.099 119.309 120.400 0.013 0.000 2.411 356 D HA 0.128 4.767 4.640 -0.001 0.000 0.251 356 D C 1.474 177.738 176.300 -0.060 0.000 1.201 356 D CA -0.211 53.751 54.000 -0.062 0.000 0.996 356 D CB 1.205 41.925 40.800 -0.133 0.000 1.101 356 D HN -0.117 nan 8.370 nan 0.000 0.504 357 V N 0.276 120.112 119.914 -0.130 0.000 2.341 357 V HA -0.028 4.091 4.120 -0.001 0.000 0.240 357 V C 1.122 177.128 176.094 -0.147 0.000 1.035 357 V CA 1.133 63.408 62.300 -0.041 0.000 1.033 357 V CB -0.153 31.767 31.823 0.162 0.000 0.678 357 V HN 0.321 nan 8.190 nan 0.000 0.464 358 R N 0.104 120.366 120.500 -0.398 0.000 2.505 358 R HA 0.384 4.723 4.340 -0.001 0.000 0.284 358 R C 1.132 177.177 176.300 -0.425 0.000 1.324 358 R CA -0.043 55.822 56.100 -0.392 0.000 1.432 358 R CB 1.101 31.106 30.300 -0.492 0.000 1.107 358 R HN 0.285 nan 8.270 nan 0.000 0.587 359 S N 1.012 116.503 115.700 -0.350 0.000 2.393 359 S HA -0.202 4.267 4.470 -0.001 0.000 0.234 359 S C 0.183 174.231 174.600 -0.919 0.000 1.064 359 S CA 1.665 59.533 58.200 -0.553 0.000 1.088 359 S CB -0.141 62.790 63.200 -0.448 0.000 0.939 359 S HN 0.475 nan 8.310 nan 0.000 0.448 360 Y N 0.512 120.636 120.300 -0.294 0.000 2.327 360 Y HA 0.457 5.007 4.550 -0.001 0.000 0.325 360 Y C -0.115 175.305 175.900 -0.801 0.000 0.999 360 Y CA -0.744 57.066 58.100 -0.484 0.000 1.195 360 Y CB 0.888 39.098 38.460 -0.416 0.000 1.132 360 Y HN 0.057 nan 8.280 nan 0.000 0.455 361 N N 5.040 123.365 118.700 -0.626 0.000 2.531 361 N HA 0.456 5.195 4.740 -0.001 0.000 0.268 361 N C -1.920 173.434 175.510 -0.260 0.000 1.023 361 N CA -0.346 52.417 53.050 -0.478 0.000 0.896 361 N CB 0.815 39.122 38.487 -0.299 0.000 1.233 361 N HN 0.458 nan 8.380 nan 0.000 0.512 362 F N 3.449 123.394 119.950 -0.008 0.000 2.482 362 F HA 0.614 5.140 4.527 -0.001 0.000 0.331 362 F C 0.667 176.612 175.800 0.242 0.000 1.115 362 F CA -1.050 56.956 58.000 0.010 0.000 0.955 362 F CB 1.619 40.466 39.000 -0.255 0.000 1.136 362 F HN 0.306 nan 8.300 nan 0.000 0.452 363 R N 0.897 121.778 120.500 0.635 0.000 2.752 363 R HA 0.404 4.744 4.340 -0.001 0.000 0.277 363 R C -2.236 174.413 176.300 0.581 0.000 1.024 363 R CA -1.102 55.388 56.100 0.650 0.000 0.866 363 R CB 2.139 32.754 30.300 0.525 0.000 1.278 363 R HN 0.883 nan 8.270 nan 0.000 0.473 364 H N 1.060 120.383 119.070 0.422 0.000 3.036 364 H HA 0.400 4.955 4.556 -0.001 0.000 0.295 364 H C -0.487 174.697 175.328 -0.241 0.000 1.124 364 H CA -0.786 55.279 56.048 0.028 0.000 1.507 364 H CB 0.816 30.467 29.762 -0.184 0.000 1.591 364 H HN 0.465 nan 8.280 nan 0.000 0.510 365 I N 4.232 124.906 120.570 0.173 0.000 2.826 365 I HA -0.060 4.110 4.170 -0.001 0.000 0.295 365 I C 1.378 177.455 176.117 -0.067 0.000 1.213 365 I CA 1.884 63.192 61.300 0.014 0.000 1.436 365 I CB 0.560 38.691 38.000 0.218 0.000 1.348 365 I HN 1.069 nan 8.210 nan 0.000 0.570 366 G N 4.466 113.098 108.800 -0.279 0.000 2.157 366 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.239 366 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.239 366 G C 0.164 174.614 174.900 -0.751 0.000 0.982 366 G CA -0.120 44.748 45.100 -0.388 0.000 0.650 366 G HN 0.826 nan 8.290 nan 0.000 0.527 367 H N -1.716 117.038 119.070 -0.527 0.000 2.750 367 H HA 0.432 4.988 4.556 -0.001 0.000 0.239 367 H C 1.137 176.322 175.328 -0.238 0.000 1.210 367 H CA -0.066 55.738 56.048 -0.406 0.000 0.936 367 H CB 0.162 29.602 29.762 -0.537 0.000 2.074 367 H HN 0.582 nan 8.280 nan 0.000 0.622 368 H N -0.789 118.231 119.070 -0.083 0.000 2.594 368 H HA 0.471 5.027 4.556 -0.001 0.000 0.274 368 H C 1.220 176.416 175.328 -0.221 0.000 0.982 368 H CA 0.158 56.110 56.048 -0.160 0.000 1.228 368 H CB 0.843 30.315 29.762 -0.483 0.000 1.447 368 H HN 0.287 nan 8.280 nan 0.000 0.485 369 A N 0.982 123.735 122.820 -0.112 0.000 2.366 369 A HA 0.443 4.762 4.320 -0.001 0.000 0.249 369 A C 1.629 179.191 177.584 -0.037 0.000 1.084 369 A CA 0.382 52.358 52.037 -0.101 0.000 0.794 369 A CB 0.122 19.054 19.000 -0.114 0.000 1.034 369 A HN 0.460 nan 8.150 nan 0.000 0.491 370 A N 0.604 123.415 122.820 -0.015 0.000 1.877 370 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 370 A C 2.172 179.750 177.584 -0.010 0.000 1.186 370 A CA 2.524 54.565 52.037 0.005 0.000 0.620 370 A CB -1.365 17.643 19.000 0.013 0.000 0.822 370 A HN 1.424 nan 8.150 nan 0.000 0.443 371 T N -2.026 112.512 114.554 -0.027 0.000 3.055 371 T HA 0.417 4.766 4.350 -0.001 0.000 0.265 371 T C 0.953 175.621 174.700 -0.054 0.000 1.111 371 T CA 0.556 62.636 62.100 -0.034 0.000 1.118 371 T CB -0.659 68.188 68.868 -0.036 0.000 0.909 371 T HN 0.689 nan 8.240 nan 0.000 0.501 372 A N 3.573 126.346 122.820 -0.077 0.000 2.483 372 A HA 0.494 4.813 4.320 -0.001 0.000 0.238 372 A C -1.801 175.723 177.584 -0.100 0.000 1.070 372 A CA -1.316 50.645 52.037 -0.127 0.000 0.770 372 A CB -0.234 18.654 19.000 -0.187 0.000 1.008 372 A HN 0.377 nan 8.150 nan 0.000 0.497 373 P HA 0.090 nan 4.420 nan 0.000 0.271 373 P C -0.620 176.701 177.300 0.035 0.000 1.218 373 P CA -0.204 62.867 63.100 -0.049 0.000 0.780 373 P CB 0.480 32.149 31.700 -0.051 0.000 0.901 374 Q N 1.169 120.992 119.800 0.039 0.000 2.314 374 Q HA 0.172 4.512 4.340 -0.001 0.000 0.258 374 Q C 0.107 176.107 176.000 -0.001 0.000 0.954 374 Q CA -0.281 55.541 55.803 0.033 0.000 0.890 374 Q CB 0.460 29.189 28.738 -0.015 0.000 1.210 374 Q HN 0.419 nan 8.270 nan 0.000 0.410 375 S N 1.979 117.603 115.700 -0.127 0.000 2.549 375 S HA 0.045 4.514 4.470 -0.001 0.000 0.286 375 S C 0.646 175.084 174.600 -0.271 0.000 1.314 375 S CA -0.214 57.751 58.200 -0.392 0.000 1.062 375 S CB 0.439 63.407 63.200 -0.386 0.000 0.865 375 S HN 0.572 nan 8.310 nan 0.000 0.498 376 V N 2.547 122.318 119.914 -0.238 0.000 3.578 376 V HA 0.266 4.385 4.120 -0.001 0.000 0.290 376 V C 1.116 177.070 176.094 -0.233 0.000 1.376 376 V CA 0.665 62.837 62.300 -0.212 0.000 1.083 376 V CB -0.256 31.478 31.823 -0.148 0.000 0.911 376 V HN 0.836 nan 8.190 nan 0.000 0.433 377 S N 0.132 115.695 115.700 -0.229 0.000 2.619 377 S HA 0.482 4.952 4.470 -0.001 0.000 0.238 377 S C 1.279 175.743 174.600 -0.227 0.000 1.068 377 S CA 0.566 58.619 58.200 -0.245 0.000 0.926 377 S CB 0.107 63.206 63.200 -0.167 0.000 0.864 377 S HN 0.949 nan 8.310 nan 0.000 0.493 378 A N 2.026 124.668 122.820 -0.297 0.000 2.899 378 A HA 0.585 4.905 4.320 -0.001 0.000 0.287 378 A C -0.149 177.340 177.584 -0.158 0.000 1.715 378 A CA -0.138 51.560 52.037 -0.566 0.000 1.393 378 A CB -0.609 17.811 19.000 -0.966 0.000 1.070 378 A HN 0.462 nan 8.150 nan 0.000 0.587 379 K N 1.009 121.489 120.400 0.134 0.000 2.443 379 K HA 0.544 4.863 4.320 -0.001 0.000 0.251 379 K C -0.714 176.041 176.600 0.259 0.000 0.972 379 K CA -0.928 55.487 56.287 0.214 0.000 0.833 379 K CB 1.218 33.753 32.500 0.058 0.000 1.317 379 K HN 0.458 nan 8.250 nan 0.000 0.441 380 N N 0.779 119.579 118.700 0.166 0.000 2.441 380 N HA -0.182 4.557 4.740 -0.001 0.000 0.292 380 N C -1.635 173.838 175.510 -0.061 0.000 1.378 380 N CA 0.625 53.710 53.050 0.059 0.000 0.651 380 N CB -1.026 37.506 38.487 0.075 0.000 0.926 380 N HN 0.485 nan 8.380 nan 0.000 0.517 381 I N 1.036 121.514 120.570 -0.154 0.000 2.466 381 I HA 0.464 4.633 4.170 -0.001 0.000 0.289 381 I C -0.332 175.653 176.117 -0.219 0.000 1.026 381 I CA -1.063 60.049 61.300 -0.313 0.000 1.078 381 I CB 1.950 39.563 38.000 -0.644 0.000 1.249 381 I HN 0.014 nan 8.210 nan 0.000 0.429 382 V N 5.352 125.149 119.914 -0.195 0.000 2.409 382 V HA 0.795 4.914 4.120 -0.001 0.000 0.291 382 V C -0.079 175.922 176.094 -0.154 0.000 1.020 382 V CA -0.441 61.776 62.300 -0.140 0.000 0.848 382 V CB 1.505 33.272 31.823 -0.093 0.000 0.990 382 V HN 0.810 nan 8.190 nan 0.000 0.430 383 A N 3.815 126.552 122.820 -0.139 0.000 2.393 383 A HA 0.931 5.250 4.320 -0.001 0.000 0.306 383 A C -0.359 177.155 177.584 -0.117 0.000 1.050 383 A CA -0.464 51.487 52.037 -0.142 0.000 0.724 383 A CB 1.836 20.736 19.000 -0.167 0.000 1.248 383 A HN 0.709 nan 8.150 nan 0.000 0.424 384 S N 1.057 116.695 115.700 -0.104 0.000 2.599 384 S HA 0.553 5.023 4.470 -0.001 0.000 0.294 384 S C 0.086 174.643 174.600 -0.072 0.000 1.094 384 S CA -0.882 57.271 58.200 -0.078 0.000 0.931 384 S CB 1.173 64.340 63.200 -0.055 0.000 1.093 384 S HN 0.755 nan 8.310 nan 0.000 0.488 385 N N 0.871 119.540 118.700 -0.052 0.000 2.716 385 N HA -0.144 4.595 4.740 -0.001 0.000 0.250 385 N C -1.006 174.491 175.510 -0.021 0.000 1.033 385 N CA 0.425 53.458 53.050 -0.029 0.000 0.727 385 N CB -1.087 37.390 38.487 -0.016 0.000 0.950 385 N HN 0.528 nan 8.380 nan 0.000 0.541 386 L N 0.661 121.840 121.223 -0.074 0.000 2.319 386 L HA 0.282 4.621 4.340 -0.001 0.000 0.280 386 L C 0.617 177.534 176.870 0.078 0.000 1.099 386 L CA -0.332 54.449 54.840 -0.098 0.000 0.828 386 L CB 1.087 42.831 42.059 -0.525 0.000 1.150 386 L HN -0.193 nan 8.230 nan 0.000 0.442 387 V N 2.536 122.593 119.914 0.238 0.000 2.409 387 V HA 0.286 4.405 4.120 -0.001 0.000 0.291 387 V C 0.087 176.370 176.094 0.314 0.000 1.020 387 V CA -0.399 62.032 62.300 0.218 0.000 0.848 387 V CB 1.603 33.494 31.823 0.113 0.000 0.990 387 V HN 0.786 nan 8.190 nan 0.000 0.430 388 S N 6.091 121.963 115.700 0.287 0.000 2.530 388 S HA 0.738 5.207 4.470 -0.001 0.000 0.322 388 S C -0.749 173.980 174.600 0.215 0.000 1.085 388 S CA -0.469 57.868 58.200 0.230 0.000 1.096 388 S CB 0.347 63.690 63.200 0.238 0.000 0.988 388 S HN 0.539 nan 8.310 nan 0.000 0.466 389 I N 4.586 125.250 120.570 0.158 0.000 2.378 389 I HA 0.501 4.671 4.170 -0.001 0.000 0.291 389 I C 0.591 176.790 176.117 0.136 0.000 0.992 389 I CA -0.860 60.537 61.300 0.160 0.000 1.154 389 I CB 1.369 39.431 38.000 0.103 0.000 1.315 389 I HN 0.719 nan 8.210 nan 0.000 0.448 390 R N 3.130 123.710 120.500 0.134 0.000 3.158 390 R HA -0.140 4.200 4.340 -0.001 0.000 0.244 390 R C -2.356 174.003 176.300 0.097 0.000 0.900 390 R CA -0.276 55.870 56.100 0.077 0.000 0.618 390 R CB -1.618 28.720 30.300 0.064 0.000 1.061 390 R HN 0.396 nan 8.270 nan 0.000 0.471 391 P HA -0.012 nan 4.420 nan 0.000 0.267 391 P C -0.663 176.710 177.300 0.122 0.000 1.205 391 P CA 0.273 63.448 63.100 0.125 0.000 0.765 391 P CB 0.749 32.541 31.700 0.153 0.000 0.828 392 N N 1.042 119.803 118.700 0.101 0.000 2.927 392 N HA 0.322 5.061 4.740 -0.001 0.000 0.248 392 N C -1.050 174.546 175.510 0.144 0.000 1.443 392 N CA -0.863 52.254 53.050 0.112 0.000 0.870 392 N CB 0.782 39.328 38.487 0.098 0.000 1.444 392 N HN 0.005 nan 8.380 nan 0.000 0.519 393 N N -0.342 118.451 118.700 0.156 0.000 2.679 393 N HA 0.274 5.013 4.740 -0.001 0.000 0.302 393 N C -0.559 175.048 175.510 0.162 0.000 1.941 393 N CA -0.241 52.936 53.050 0.211 0.000 0.875 393 N CB 0.494 39.113 38.487 0.219 0.000 1.278 393 N HN 0.595 nan 8.380 nan 0.000 0.490 394 K N -0.322 120.163 120.400 0.142 0.000 2.148 394 K HA 0.085 4.404 4.320 -0.001 0.000 0.204 394 K C 1.367 178.006 176.600 0.064 0.000 1.050 394 K CA 0.849 57.191 56.287 0.091 0.000 0.942 394 K CB 0.358 32.906 32.500 0.080 0.000 0.724 394 K HN 0.192 nan 8.250 nan 0.000 0.446 395 R N -0.231 120.321 120.500 0.087 0.000 2.276 395 R HA 0.003 4.342 4.340 -0.001 0.000 0.203 395 R C 0.557 176.756 176.300 -0.169 0.000 1.017 395 R CA 0.615 56.681 56.100 -0.058 0.000 1.010 395 R CB 0.264 30.501 30.300 -0.105 0.000 0.900 395 R HN 0.351 nan 8.270 nan 0.000 0.469 396 G N 1.450 110.239 108.800 -0.019 0.000 2.256 396 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.272 396 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.272 396 G C -0.116 174.741 174.900 -0.072 0.000 1.076 396 G CA -0.356 44.730 45.100 -0.022 0.000 0.882 396 G HN 0.167 nan 8.290 nan 0.000 0.497 397 F N 0.087 120.041 119.950 0.008 0.000 2.553 397 F HA 0.350 4.876 4.527 -0.001 0.000 0.356 397 F C 1.826 177.523 175.800 -0.172 0.000 1.142 397 F CA 1.028 58.988 58.000 -0.066 0.000 1.322 397 F CB 0.584 39.581 39.000 -0.004 0.000 1.126 397 F HN 0.386 nan 8.300 nan 0.000 0.599 398 Q N 2.333 122.094 119.800 -0.065 0.000 2.451 398 Q HA -0.300 4.039 4.340 -0.001 0.000 0.305 398 Q C -0.516 175.452 176.000 -0.055 0.000 1.345 398 Q CA 1.014 56.721 55.803 -0.160 0.000 0.854 398 Q CB -1.503 26.956 28.738 -0.464 0.000 1.162 398 Q HN 0.841 nan 8.270 nan 0.000 0.440 399 D N 0.572 120.956 120.400 -0.026 0.000 2.699 399 D HA -0.201 4.438 4.640 -0.001 0.000 0.239 399 D C 0.026 176.339 176.300 0.020 0.000 1.136 399 D CA 1.090 55.088 54.000 -0.004 0.000 0.668 399 D CB -1.013 39.790 40.800 0.004 0.000 1.060 399 D HN 0.639 nan 8.370 nan 0.000 0.429 400 N N -1.952 116.767 118.700 0.032 0.000 2.725 400 N HA -0.237 4.502 4.740 -0.001 0.000 0.251 400 N C 0.260 175.825 175.510 0.090 0.000 1.031 400 N CA 0.954 54.044 53.050 0.067 0.000 0.720 400 N CB -0.821 37.696 38.487 0.050 0.000 0.930 400 N HN 0.558 nan 8.380 nan 0.000 0.543 401 A N 0.786 123.669 122.820 0.104 0.000 2.561 401 A HA 0.200 4.520 4.320 -0.001 0.000 0.234 401 A C 1.229 178.913 177.584 0.167 0.000 1.055 401 A CA 0.720 52.842 52.037 0.143 0.000 0.756 401 A CB 0.179 19.293 19.000 0.189 0.000 0.986 401 A HN 0.427 nan 8.150 nan 0.000 0.505 402 T N 1.595 116.229 114.554 0.133 0.000 2.930 402 T HA 0.453 4.802 4.350 -0.001 0.000 0.306 402 T C -2.498 172.270 174.700 0.113 0.000 1.045 402 T CA -1.226 60.941 62.100 0.111 0.000 1.134 402 T CB 0.290 69.208 68.868 0.083 0.000 0.961 402 T HN 0.442 nan 8.240 nan 0.000 0.545 403 P HA 0.379 nan 4.420 nan 0.000 0.272 403 P C -0.271 177.048 177.300 0.033 0.000 1.223 403 P CA -0.537 62.612 63.100 0.080 0.000 0.784 403 P CB 0.486 32.249 31.700 0.106 0.000 0.923 404 R N 1.351 121.840 120.500 -0.018 0.000 2.698 404 R HA 0.277 4.616 4.340 -0.001 0.000 0.275 404 R C 0.619 176.875 176.300 -0.074 0.000 1.001 404 R CA -0.857 55.202 56.100 -0.067 0.000 0.896 404 R CB 1.388 31.624 30.300 -0.106 0.000 1.218 404 R HN 0.117 nan 8.270 nan 0.000 0.462 405 V N 1.254 121.114 119.914 -0.090 0.000 2.407 405 V HA 0.005 4.124 4.120 -0.001 0.000 0.245 405 V C 0.545 176.644 176.094 0.008 0.000 1.041 405 V CA 1.226 63.510 62.300 -0.028 0.000 1.040 405 V CB -0.105 31.677 31.823 -0.068 0.000 0.671 405 V HN 0.529 nan 8.190 nan 0.000 0.455 406 L N -0.531 120.646 121.223 -0.076 0.000 2.482 406 L HA 0.798 5.137 4.340 -0.001 0.000 0.263 406 L C -0.962 175.792 176.870 -0.192 0.000 0.957 406 L CA -0.415 54.347 54.840 -0.130 0.000 0.836 406 L CB 1.756 43.753 42.059 -0.104 0.000 1.324 406 L HN -0.029 nan 8.230 nan 0.000 0.406 407 A N 4.359 127.010 122.820 -0.283 0.000 2.381 407 A HA 0.811 5.130 4.320 -0.001 0.000 0.299 407 A C -1.696 175.740 177.584 -0.245 0.000 1.049 407 A CA -0.510 51.385 52.037 -0.237 0.000 0.715 407 A CB 1.662 20.543 19.000 -0.199 0.000 1.222 407 A HN 0.576 nan 8.150 nan 0.000 0.428 408 V N 1.886 121.723 119.914 -0.128 0.000 2.448 408 V HA 0.736 4.855 4.120 -0.001 0.000 0.295 408 V C -0.006 176.119 176.094 0.052 0.000 1.025 408 V CA -0.399 61.922 62.300 0.035 0.000 0.859 408 V CB 1.540 33.423 31.823 0.100 0.000 0.988 408 V HN 0.894 nan 8.190 nan 0.000 0.431 409 S N 2.285 118.111 115.700 0.209 0.000 2.549 409 S HA 0.761 5.230 4.470 -0.001 0.000 0.280 409 S C 0.799 175.665 174.600 0.444 0.000 1.109 409 S CA 0.155 58.494 58.200 0.231 0.000 0.905 409 S CB 1.828 65.082 63.200 0.090 0.000 1.081 409 S HN 1.760 nan 8.310 nan 0.000 0.477 410 A N 0.835 123.908 122.820 0.421 0.000 3.976 410 A HA -0.273 4.047 4.320 -0.001 0.000 0.246 410 A C 0.119 177.883 177.584 0.301 0.000 0.591 410 A CA 1.529 53.788 52.037 0.371 0.000 1.143 410 A CB -2.384 16.834 19.000 0.363 0.000 1.238 410 A HN 0.788 nan 8.150 nan 0.000 0.666 411 Y N -1.166 119.300 120.300 0.277 0.000 2.497 411 Y HA 0.402 4.952 4.550 -0.001 0.000 0.334 411 Y C 0.625 176.699 175.900 0.289 0.000 1.199 411 Y CA 0.798 59.044 58.100 0.244 0.000 1.425 411 Y CB 0.233 38.788 38.460 0.158 0.000 1.291 411 Y HN 0.323 nan 8.280 nan 0.000 0.562 412 Y N 0.508 120.918 120.300 0.182 0.000 2.360 412 Y HA 0.467 5.017 4.550 -0.001 0.000 0.337 412 Y C 0.549 176.513 175.900 0.107 0.000 1.039 412 Y CA -1.237 56.927 58.100 0.107 0.000 1.109 412 Y CB 1.749 40.237 38.460 0.047 0.000 1.201 412 Y HN 0.727 nan 8.280 nan 0.000 0.458 413 G N 2.186 111.067 108.800 0.135 0.000 2.473 413 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.289 413 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.289 413 G C -1.297 173.625 174.900 0.038 0.000 1.084 413 G CA -0.238 44.908 45.100 0.078 0.000 1.215 413 G HN 0.540 nan 8.290 nan 0.000 0.527 414 V N 1.339 121.259 119.914 0.010 0.000 2.357 414 V HA 0.584 4.703 4.120 -0.001 0.000 0.284 414 V C 0.516 176.588 176.094 -0.037 0.000 1.018 414 V CA -0.890 61.389 62.300 -0.036 0.000 0.841 414 V CB 1.898 33.718 31.823 -0.006 0.000 0.991 414 V HN 0.465 nan 8.190 nan 0.000 0.437 415 V N 6.399 126.277 119.914 -0.061 0.000 2.370 415 V HA 0.509 4.628 4.120 -0.001 0.000 0.283 415 V C -0.306 175.751 176.094 -0.063 0.000 1.023 415 V CA -0.429 61.840 62.300 -0.052 0.000 0.857 415 V CB 1.686 33.480 31.823 -0.048 0.000 0.985 415 V HN 0.601 nan 8.190 nan 0.000 0.443 416 I N 4.532 125.070 120.570 -0.052 0.000 2.410 416 I HA 0.450 4.620 4.170 -0.001 0.000 0.286 416 I C -0.415 175.668 176.117 -0.057 0.000 1.009 416 I CA -0.573 60.689 61.300 -0.064 0.000 1.111 416 I CB 1.508 39.472 38.000 -0.060 0.000 1.262 416 I HN 0.608 nan 8.210 nan 0.000 0.443 417 N N 4.379 123.042 118.700 -0.061 0.000 2.479 417 N HA 0.602 5.342 4.740 -0.001 0.000 0.261 417 N C 0.002 175.484 175.510 -0.047 0.000 0.979 417 N CA -0.346 52.676 53.050 -0.046 0.000 0.930 417 N CB 1.805 40.269 38.487 -0.039 0.000 1.172 417 N HN 0.894 nan 8.380 nan 0.000 0.499 418 G N 1.737 110.515 108.800 -0.037 0.000 2.905 418 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.245 418 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.245 418 G C -1.159 173.718 174.900 -0.038 0.000 1.004 418 G CA -0.620 44.463 45.100 -0.028 0.000 1.089 418 G HN 0.483 nan 8.290 nan 0.000 0.456 419 L N 2.520 123.727 121.223 -0.028 0.000 2.381 419 L HA 0.934 5.273 4.340 -0.001 0.000 0.274 419 L C 0.023 176.909 176.870 0.025 0.000 0.988 419 L CA -0.233 54.592 54.840 -0.025 0.000 0.824 419 L CB 2.535 44.560 42.059 -0.057 0.000 1.263 419 L HN 0.646 nan 8.230 nan 0.000 0.410 420 T N 3.523 118.115 114.554 0.063 0.000 2.786 420 T HA 0.774 5.124 4.350 -0.001 0.000 0.283 420 T C -0.188 174.617 174.700 0.175 0.000 0.992 420 T CA -0.114 62.054 62.100 0.113 0.000 0.954 420 T CB 0.508 69.442 68.868 0.110 0.000 0.934 420 T HN 0.958 nan 8.240 nan 0.000 0.440 421 G N 3.717 112.642 108.800 0.209 0.000 2.368 421 G HA2 0.580 4.539 3.960 -0.001 0.000 0.320 421 G HA3 0.580 4.539 3.960 -0.001 0.000 0.320 421 G C -1.805 173.378 174.900 0.472 0.000 1.158 421 G CA -0.494 44.801 45.100 0.325 0.000 0.912 421 G HN 0.736 nan 8.290 nan 0.000 0.456 422 Y N 1.246 121.709 120.300 0.272 0.000 2.442 422 Y HA 0.681 5.231 4.550 -0.001 0.000 0.344 422 Y C -0.270 175.578 175.900 -0.086 0.000 0.976 422 Y CA -0.645 57.514 58.100 0.098 0.000 1.040 422 Y CB 2.748 41.239 38.460 0.051 0.000 1.228 422 Y HN 0.666 nan 8.280 nan 0.000 0.451 423 T N 3.335 117.455 114.554 -0.723 0.000 2.916 423 T HA 0.246 4.595 4.350 -0.001 0.000 0.305 423 T C -0.463 173.894 174.700 -0.572 0.000 1.119 423 T CA -0.473 61.301 62.100 -0.543 0.000 1.008 423 T CB 0.963 69.380 68.868 -0.750 0.000 1.129 423 T HN 0.771 nan 8.240 nan 0.000 0.480 424 D N 1.570 121.856 120.400 -0.189 0.000 2.389 424 D HA 0.181 4.820 4.640 -0.001 0.000 0.206 424 D C 0.068 176.294 176.300 -0.124 0.000 1.055 424 D CA 0.025 53.957 54.000 -0.112 0.000 0.856 424 D CB 0.328 41.162 40.800 0.057 0.000 0.957 424 D HN 0.374 nan 8.370 nan 0.000 0.509 425 D N 0.351 120.666 120.400 -0.141 0.000 2.461 425 D HA 0.255 4.894 4.640 -0.001 0.000 0.240 425 D C -1.969 174.250 176.300 -0.134 0.000 1.094 425 D CA -2.328 51.611 54.000 -0.102 0.000 0.868 425 D CB 2.113 42.884 40.800 -0.049 0.000 1.062 425 D HN -0.205 nan 8.370 nan 0.000 0.530 426 P HA 0.007 nan 4.420 nan 0.000 0.230 426 P C 0.720 178.002 177.300 -0.030 0.000 1.158 426 P CA 0.490 63.529 63.100 -0.101 0.000 0.769 426 P CB 0.403 32.058 31.700 -0.075 0.000 0.807 427 N N -0.782 117.907 118.700 -0.020 0.000 2.424 427 N HA 0.059 4.798 4.740 -0.001 0.000 0.178 427 N C 1.571 177.099 175.510 0.030 0.000 1.060 427 N CA 0.563 53.619 53.050 0.010 0.000 0.901 427 N CB -0.286 38.204 38.487 0.006 0.000 0.979 427 N HN 0.247 nan 8.380 nan 0.000 0.451 428 L N 0.022 121.261 121.223 0.027 0.000 2.093 428 L HA 0.062 4.402 4.340 -0.001 0.000 0.208 428 L C 0.949 177.874 176.870 0.093 0.000 1.085 428 L CA 0.796 55.669 54.840 0.055 0.000 0.755 428 L CB -0.129 41.957 42.059 0.045 0.000 0.904 428 L HN 0.072 nan 8.230 nan 0.000 0.435 429 L N -0.913 120.385 121.223 0.124 0.000 2.356 429 L HA 0.306 4.645 4.340 -0.001 0.000 0.277 429 L C 0.155 177.117 176.870 0.153 0.000 0.996 429 L CA -0.008 54.936 54.840 0.173 0.000 0.822 429 L CB 2.002 44.247 42.059 0.311 0.000 1.256 429 L HN -0.130 nan 8.230 nan 0.000 0.413 430 T N 1.070 115.690 114.554 0.110 0.000 3.010 430 T HA 0.077 4.427 4.350 -0.001 0.000 0.253 430 T C 0.955 175.700 174.700 0.074 0.000 0.939 430 T CA -0.005 62.147 62.100 0.086 0.000 0.910 430 T CB 0.583 69.490 68.868 0.065 0.000 1.226 430 T HN 0.639 nan 8.240 nan 0.000 0.508 431 E N 1.419 121.660 120.200 0.069 0.000 2.025 431 E HA 0.077 4.426 4.350 -0.001 0.000 0.198 431 E C -0.343 176.286 176.600 0.048 0.000 0.955 431 E CA 0.862 57.295 56.400 0.056 0.000 0.862 431 E CB 0.507 30.241 29.700 0.057 0.000 0.837 431 E HN 0.150 nan 8.360 nan 0.000 0.488 432 T N 0.300 114.877 114.554 0.039 0.000 2.928 432 T HA 0.231 4.581 4.350 -0.001 0.000 0.296 432 T C 0.629 175.300 174.700 -0.048 0.000 1.000 432 T CA -0.640 61.473 62.100 0.022 0.000 0.989 432 T CB 2.023 70.942 68.868 0.084 0.000 1.005 432 T HN 0.003 nan 8.240 nan 0.000 0.442 433 V N 2.716 122.553 119.914 -0.129 0.000 2.323 433 V HA 0.041 4.160 4.120 -0.001 0.000 0.244 433 V C 0.786 176.745 176.094 -0.226 0.000 1.041 433 V CA 1.031 63.143 62.300 -0.313 0.000 1.025 433 V CB -0.110 31.352 31.823 -0.601 0.000 0.656 433 V HN 0.641 nan 8.190 nan 0.000 0.451 434 V N 0.558 120.384 119.914 -0.147 0.000 2.709 434 V HA 0.686 4.805 4.120 -0.001 0.000 0.308 434 V C -0.597 175.452 176.094 -0.075 0.000 1.062 434 V CA -0.128 62.103 62.300 -0.114 0.000 0.901 434 V CB 1.957 33.718 31.823 -0.104 0.000 1.003 434 V HN 0.477 nan 8.190 nan 0.000 0.425 435 S N 3.290 118.924 115.700 -0.110 0.000 2.548 435 S HA 0.834 5.304 4.470 -0.001 0.000 0.276 435 S C -1.279 173.211 174.600 -0.183 0.000 1.129 435 S CA -0.714 57.397 58.200 -0.148 0.000 0.931 435 S CB 1.930 65.023 63.200 -0.177 0.000 1.068 435 S HN 0.465 nan 8.310 nan 0.000 0.480 436 V N 3.991 123.783 119.914 -0.204 0.000 2.448 436 V HA 0.718 4.838 4.120 -0.001 0.000 0.295 436 V C -0.023 175.924 176.094 -0.245 0.000 1.025 436 V CA -0.377 61.819 62.300 -0.174 0.000 0.859 436 V CB 0.761 32.515 31.823 -0.114 0.000 0.988 436 V HN 1.091 nan 8.190 nan 0.000 0.431 437 Q N 3.212 122.872 119.800 -0.233 0.000 2.833 437 Q HA 0.574 4.914 4.340 -0.001 0.000 0.340 437 Q C -0.446 175.492 176.000 -0.104 0.000 0.800 437 Q CA -1.201 54.412 55.803 -0.316 0.000 0.821 437 Q CB 1.232 29.556 28.738 -0.690 0.000 1.340 437 Q HN 0.401 nan 8.270 nan 0.000 0.515 438 F N 1.498 121.414 119.950 -0.057 0.000 2.694 438 F HA -0.296 4.231 4.527 -0.001 0.000 0.215 438 F C 0.433 176.296 175.800 0.105 0.000 1.032 438 F CA 0.854 58.858 58.000 0.007 0.000 0.871 438 F CB -0.981 37.940 39.000 -0.131 0.000 0.776 438 F HN 0.775 nan 8.300 nan 0.000 0.850 439 R N -2.386 118.262 120.500 0.247 0.000 3.989 439 R HA -0.203 4.136 4.340 -0.001 0.000 0.377 439 R C 0.495 176.904 176.300 0.182 0.000 1.158 439 R CA 0.567 56.787 56.100 0.200 0.000 1.035 439 R CB -1.608 28.828 30.300 0.227 0.000 1.557 439 R HN 0.569 nan 8.270 nan 0.000 0.551 440 A N 1.506 124.406 122.820 0.134 0.000 2.477 440 A HA 0.477 4.797 4.320 -0.001 0.000 0.246 440 A C 0.374 177.900 177.584 -0.097 0.000 1.078 440 A CA 0.304 52.389 52.037 0.079 0.000 0.770 440 A CB 0.363 19.411 19.000 0.080 0.000 1.011 440 A HN 0.166 nan 8.150 nan 0.000 0.494 441 R N 1.379 121.700 120.500 -0.299 0.000 2.837 441 R HA 0.391 4.731 4.340 -0.001 0.000 0.271 441 R C -0.686 175.394 176.300 -0.366 0.000 0.993 441 R CA -0.917 54.876 56.100 -0.512 0.000 0.931 441 R CB 1.036 30.647 30.300 -1.149 0.000 1.206 441 R HN 0.911 nan 8.270 nan 0.000 0.474 442 N N 0.073 118.621 118.700 -0.252 0.000 2.641 442 N HA -0.197 4.543 4.740 -0.001 0.000 0.267 442 N C -0.723 174.745 175.510 -0.070 0.000 1.087 442 N CA 0.590 53.559 53.050 -0.134 0.000 0.731 442 N CB -1.096 37.323 38.487 -0.114 0.000 0.886 442 N HN 0.505 nan 8.380 nan 0.000 0.547 443 C N 1.174 120.438 119.300 -0.060 0.000 2.379 443 C HA 0.572 5.032 4.460 -0.001 0.000 0.323 443 C C 0.385 175.356 174.990 -0.032 0.000 1.262 443 C CA -0.204 58.793 59.018 -0.034 0.000 1.581 443 C CB 1.288 29.010 27.740 -0.030 0.000 2.221 443 C HN 0.489 nan 8.230 nan 0.000 0.497 444 S N 5.452 121.136 115.700 -0.027 0.000 2.530 444 S HA 0.589 5.058 4.470 -0.001 0.000 0.322 444 S C -0.826 173.757 174.600 -0.029 0.000 1.085 444 S CA -0.303 57.881 58.200 -0.027 0.000 1.096 444 S CB 0.689 63.874 63.200 -0.024 0.000 0.988 444 S HN 0.674 nan 8.310 nan 0.000 0.466 445 L N 4.491 125.696 121.223 -0.030 0.000 2.276 445 L HA 0.518 4.857 4.340 -0.001 0.000 0.286 445 L C 0.273 177.125 176.870 -0.029 0.000 1.024 445 L CA -0.302 54.518 54.840 -0.032 0.000 0.826 445 L CB 0.665 42.703 42.059 -0.035 0.000 1.211 445 L HN 0.537 nan 8.230 nan 0.000 0.422 446 N N 2.768 121.450 118.700 -0.029 0.000 2.346 446 N HA 0.395 5.134 4.740 -0.001 0.000 0.289 446 N C 0.015 175.512 175.510 -0.022 0.000 1.027 446 N CA -0.053 52.983 53.050 -0.024 0.000 0.864 446 N CB 2.168 40.642 38.487 -0.021 0.000 1.370 446 N HN 0.743 nan 8.380 nan 0.000 0.481 447 G N 1.928 110.718 108.800 -0.016 0.000 2.473 447 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.289 447 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.289 447 G C -0.793 174.102 174.900 -0.007 0.000 1.084 447 G CA -0.153 44.941 45.100 -0.010 0.000 1.215 447 G HN 0.434 nan 8.290 nan 0.000 0.527 448 V N 1.011 120.922 119.914 -0.005 0.000 2.448 448 V HA 0.648 4.768 4.120 -0.001 0.000 0.295 448 V C 0.413 176.519 176.094 0.019 0.000 1.025 448 V CA -0.857 61.443 62.300 -0.000 0.000 0.859 448 V CB 2.099 33.913 31.823 -0.015 0.000 0.988 448 V HN 0.576 nan 8.190 nan 0.000 0.431 449 V N 6.575 126.513 119.914 0.040 0.000 2.350 449 V HA 0.491 4.610 4.120 -0.001 0.000 0.285 449 V C -0.348 175.805 176.094 0.099 0.000 1.014 449 V CA -0.425 61.916 62.300 0.068 0.000 0.831 449 V CB 1.353 33.226 31.823 0.083 0.000 1.000 449 V HN 0.639 nan 8.190 nan 0.000 0.433 450 L N 5.192 126.472 121.223 0.095 0.000 2.305 450 L HA 0.789 5.128 4.340 -0.001 0.000 0.284 450 L C 0.201 177.198 176.870 0.213 0.000 1.013 450 L CA -0.188 54.739 54.840 0.145 0.000 0.819 450 L CB 1.995 44.059 42.059 0.008 0.000 1.227 450 L HN 0.782 nan 8.230 nan 0.000 0.417 451 T N -1.104 113.612 114.554 0.269 0.000 2.900 451 T HA 0.673 5.022 4.350 -0.001 0.000 0.295 451 T C 0.622 175.215 174.700 -0.179 0.000 1.044 451 T CA 0.200 62.347 62.100 0.078 0.000 0.995 451 T CB 2.073 70.945 68.868 0.006 0.000 1.072 451 T HN 0.881 nan 8.240 nan 0.000 0.473 452 G N 1.477 110.144 108.800 -0.222 0.000 2.195 452 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.246 452 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.246 452 G C 0.114 174.780 174.900 -0.391 0.000 0.984 452 G CA 0.033 44.880 45.100 -0.422 0.000 0.633 452 G HN 0.775 nan 8.290 nan 0.000 0.525 453 F N 2.967 122.857 119.950 -0.099 0.000 2.783 453 F HA 0.371 4.897 4.527 -0.001 0.000 0.338 453 F C 1.859 177.638 175.800 -0.036 0.000 1.178 453 F CA 0.475 58.444 58.000 -0.052 0.000 1.343 453 F CB 0.305 39.289 39.000 -0.025 0.000 1.496 453 F HN 0.210 nan 8.300 nan 0.000 0.583 454 S N -1.586 114.133 115.700 0.031 0.000 2.754 454 S HA 0.010 4.479 4.470 -0.001 0.000 0.223 454 S C 1.158 175.763 174.600 0.007 0.000 0.951 454 S CA 0.040 58.244 58.200 0.006 0.000 0.954 454 S CB -0.275 62.899 63.200 -0.043 0.000 0.780 454 S HN 0.495 nan 8.310 nan 0.000 0.509 455 N N 1.196 119.920 118.700 0.041 0.000 2.167 455 N HA 0.121 4.860 4.740 -0.001 0.000 0.234 455 N C -0.699 174.850 175.510 0.065 0.000 1.312 455 N CA 0.132 53.203 53.050 0.035 0.000 0.861 455 N CB 1.382 39.879 38.487 0.018 0.000 1.217 455 N HN 0.496 nan 8.380 nan 0.000 0.504 456 S N -0.353 115.408 115.700 0.101 0.000 2.616 456 S HA 0.336 4.805 4.470 -0.001 0.000 0.277 456 S C 1.126 175.777 174.600 0.085 0.000 1.234 456 S CA -0.483 57.778 58.200 0.102 0.000 1.028 456 S CB 2.600 65.879 63.200 0.131 0.000 0.988 456 S HN 0.008 nan 8.310 nan 0.000 0.522 457 E N 1.461 121.706 120.200 0.076 0.000 2.072 457 E HA 0.001 4.350 4.350 -0.001 0.000 0.190 457 E C -0.227 176.448 176.600 0.126 0.000 0.982 457 E CA 1.081 57.541 56.400 0.100 0.000 0.803 457 E CB 0.117 29.852 29.700 0.058 0.000 0.755 457 E HN 0.725 nan 8.360 nan 0.000 0.453 458 N N -0.920 117.813 118.700 0.055 0.000 2.258 458 N HA 0.252 4.991 4.740 -0.001 0.000 0.299 458 N C 0.248 175.775 175.510 0.028 0.000 1.047 458 N CA 0.216 53.289 53.050 0.038 0.000 0.814 458 N CB 1.847 40.297 38.487 -0.061 0.000 1.413 458 N HN 0.135 nan 8.380 nan 0.000 0.478 459 G N 1.556 110.377 108.800 0.035 0.000 2.605 459 G HA2 0.071 4.030 3.960 -0.001 0.000 0.215 459 G HA3 0.071 4.030 3.960 -0.001 0.000 0.215 459 G C 0.389 175.267 174.900 -0.036 0.000 1.279 459 G CA 0.489 45.577 45.100 -0.020 0.000 0.831 459 G HN 0.545 nan 8.290 nan 0.000 0.560 460 I N -0.356 120.215 120.570 0.000 0.000 2.354 460 I HA 0.367 4.537 4.170 -0.001 0.000 0.292 460 I C -1.445 174.736 176.117 0.106 0.000 0.989 460 I CA -0.876 60.433 61.300 0.016 0.000 1.188 460 I CB 2.042 40.036 38.000 -0.009 0.000 1.342 460 I HN 0.145 nan 8.210 nan 0.000 0.457 461 Y N 6.871 127.127 120.300 -0.072 0.000 2.327 461 Y HA 0.485 5.035 4.550 -0.001 0.000 0.325 461 Y C -1.028 174.822 175.900 -0.084 0.000 0.999 461 Y CA -1.451 56.605 58.100 -0.073 0.000 1.195 461 Y CB 1.438 39.852 38.460 -0.077 0.000 1.132 461 Y HN 0.223 nan 8.280 nan 0.000 0.455 462 V N 8.280 128.168 119.914 -0.043 0.000 2.353 462 V HA 0.247 4.367 4.120 -0.001 0.000 0.264 462 V C 0.470 176.280 176.094 -0.472 0.000 1.049 462 V CA -0.461 61.701 62.300 -0.230 0.000 0.896 462 V CB 0.061 31.829 31.823 -0.092 0.000 1.025 462 V HN 0.602 nan 8.190 nan 0.000 0.475 463 I N 4.456 124.564 120.570 -0.770 0.000 2.556 463 I HA 0.344 4.513 4.170 -0.001 0.000 0.284 463 I C 1.335 177.280 176.117 -0.288 0.000 1.114 463 I CA 0.458 61.287 61.300 -0.784 0.000 1.418 463 I CB 0.649 38.223 38.000 -0.709 0.000 1.394 463 I HN 0.667 nan 8.210 nan 0.000 0.552 464 G N 3.473 112.194 108.800 -0.131 0.000 2.975 464 G HA2 0.660 4.619 3.960 -0.001 0.000 0.159 464 G HA3 0.660 4.619 3.960 -0.001 0.000 0.159 464 G C 0.300 175.193 174.900 -0.012 0.000 1.525 464 G CA -0.014 45.061 45.100 -0.041 0.000 1.075 464 G HN 1.064 nan 8.290 nan 0.000 0.574 465 G N -1.404 107.405 108.800 0.015 0.000 2.584 465 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.229 465 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.229 465 G C 1.180 176.100 174.900 0.034 0.000 1.320 465 G CA 0.736 45.854 45.100 0.030 0.000 0.891 465 G HN 1.264 nan 8.290 nan 0.000 0.573 466 S N 0.322 116.049 115.700 0.044 0.000 2.406 466 S HA -0.024 4.445 4.470 -0.001 0.000 0.228 466 S C 1.812 176.445 174.600 0.054 0.000 1.020 466 S CA 1.883 60.108 58.200 0.042 0.000 0.965 466 S CB -0.247 62.976 63.200 0.038 0.000 0.798 466 S HN 0.949 nan 8.310 nan 0.000 0.488 467 R N 0.615 121.163 120.500 0.080 0.000 2.690 467 R HA 0.310 4.649 4.340 -0.001 0.000 0.419 467 R C 0.490 176.869 176.300 0.131 0.000 1.090 467 R CA -0.165 56.002 56.100 0.112 0.000 1.064 467 R CB -0.634 29.745 30.300 0.132 0.000 1.391 467 R HN 0.205 nan 8.270 nan 0.000 0.586 468 G N 0.056 108.894 108.800 0.063 0.000 2.653 468 G HA2 0.423 4.383 3.960 -0.001 0.000 0.265 468 G HA3 0.423 4.383 3.960 -0.001 0.000 0.265 468 G C -0.217 174.676 174.900 -0.011 0.000 1.237 468 G CA -0.122 44.978 45.100 0.001 0.000 0.946 468 G HN 0.293 nan 8.290 nan 0.000 0.522 469 G N -1.235 107.522 108.800 -0.072 0.000 2.507 469 G HA2 0.493 4.452 3.960 -0.001 0.000 0.271 469 G HA3 0.493 4.452 3.960 -0.001 0.000 0.271 469 G C -0.952 173.906 174.900 -0.069 0.000 1.189 469 G CA -0.086 44.971 45.100 -0.071 0.000 0.859 469 G HN 0.539 nan 8.290 nan 0.000 0.542 470 D N -1.106 119.248 120.400 -0.076 0.000 2.643 470 D HA 0.488 5.128 4.640 -0.001 0.000 0.283 470 D C 0.049 176.293 176.300 -0.093 0.000 1.242 470 D CA 0.547 54.505 54.000 -0.071 0.000 0.863 470 D CB 1.836 42.606 40.800 -0.051 0.000 1.382 470 D HN 1.247 nan 8.370 nan 0.000 0.444 471 A N -0.047 122.730 122.820 -0.073 0.000 2.360 471 A HA 0.052 4.371 4.320 -0.001 0.000 0.289 471 A C -0.355 177.186 177.584 -0.071 0.000 1.437 471 A CA 0.966 52.960 52.037 -0.073 0.000 0.734 471 A CB -1.850 17.091 19.000 -0.098 0.000 1.145 471 A HN 0.951 nan 8.150 nan 0.000 0.374 472 V N 2.030 121.911 119.914 -0.054 0.000 2.709 472 V HA 0.767 4.887 4.120 -0.001 0.000 0.308 472 V C -0.180 175.893 176.094 -0.036 0.000 1.062 472 V CA -0.442 61.829 62.300 -0.049 0.000 0.901 472 V CB 1.915 33.705 31.823 -0.054 0.000 1.003 472 V HN 1.041 nan 8.190 nan 0.000 0.425 473 N N 5.358 124.039 118.700 -0.032 0.000 2.419 473 N HA 0.494 5.234 4.740 -0.001 0.000 0.277 473 N C -1.492 174.001 175.510 -0.028 0.000 1.006 473 N CA -0.438 52.596 53.050 -0.026 0.000 0.923 473 N CB 1.564 40.039 38.487 -0.020 0.000 1.140 473 N HN 0.683 nan 8.380 nan 0.000 0.488 474 I N 2.546 123.099 120.570 -0.029 0.000 2.420 474 I HA 0.184 4.353 4.170 -0.001 0.000 0.282 474 I C -0.295 175.805 176.117 -0.029 0.000 1.019 474 I CA -0.258 61.024 61.300 -0.030 0.000 1.130 474 I CB 1.519 39.500 38.000 -0.031 0.000 1.262 474 I HN 0.504 nan 8.210 nan 0.000 0.454 475 S N 4.123 119.809 115.700 -0.024 0.000 2.569 475 S HA 0.589 5.059 4.470 -0.001 0.000 0.280 475 S C -0.314 174.276 174.600 -0.017 0.000 1.111 475 S CA -0.824 57.364 58.200 -0.020 0.000 0.887 475 S CB 1.736 64.927 63.200 -0.014 0.000 1.095 475 S HN 0.567 nan 8.310 nan 0.000 0.476 476 N N -0.216 118.475 118.700 -0.015 0.000 2.696 476 N HA -0.107 4.632 4.740 -0.001 0.000 0.256 476 N C -1.049 174.456 175.510 -0.009 0.000 1.031 476 N CA 0.694 53.738 53.050 -0.010 0.000 0.730 476 N CB -1.505 36.979 38.487 -0.006 0.000 0.894 476 N HN 0.640 nan 8.380 nan 0.000 0.544 477 V N 0.427 120.334 119.914 -0.012 0.000 2.417 477 V HA 0.545 4.665 4.120 -0.001 0.000 0.291 477 V C 0.721 176.814 176.094 -0.002 0.000 1.024 477 V CA -0.536 61.759 62.300 -0.009 0.000 0.861 477 V CB 2.071 33.882 31.823 -0.019 0.000 0.985 477 V HN 0.419 nan 8.190 nan 0.000 0.436 478 T N 6.219 120.781 114.554 0.013 0.000 2.786 478 T HA 0.668 5.017 4.350 -0.001 0.000 0.283 478 T C -0.841 173.885 174.700 0.043 0.000 0.992 478 T CA -0.464 61.651 62.100 0.026 0.000 0.954 478 T CB 0.502 69.390 68.868 0.033 0.000 0.934 478 T HN 0.428 nan 8.240 nan 0.000 0.440 479 L N 5.324 126.578 121.223 0.052 0.000 2.276 479 L HA 0.480 4.820 4.340 -0.001 0.000 0.286 479 L C 0.511 177.448 176.870 0.111 0.000 1.024 479 L CA -0.724 54.167 54.840 0.085 0.000 0.826 479 L CB 0.944 43.057 42.059 0.090 0.000 1.211 479 L HN 0.708 nan 8.230 nan 0.000 0.422 480 N N 4.295 123.056 118.700 0.101 0.000 2.500 480 N HA 0.131 4.870 4.740 -0.001 0.000 0.236 480 N C -0.330 175.221 175.510 0.067 0.000 1.022 480 N CA -0.372 52.726 53.050 0.080 0.000 0.935 480 N CB 0.247 38.773 38.487 0.065 0.000 1.147 480 N HN 0.542 nan 8.380 nan 0.000 0.512 481 N N 1.538 120.276 118.700 0.063 0.000 2.688 481 N HA -0.171 4.568 4.740 -0.001 0.000 0.258 481 N C -1.351 174.204 175.510 0.074 0.000 1.016 481 N CA 0.820 53.885 53.050 0.025 0.000 0.747 481 N CB -0.966 37.506 38.487 -0.025 0.000 0.895 481 N HN 0.350 nan 8.380 nan 0.000 0.543 482 S N 0.213 115.997 115.700 0.141 0.000 2.652 482 S HA 0.650 5.119 4.470 -0.001 0.000 0.252 482 S C 0.465 175.164 174.600 0.165 0.000 1.219 482 S CA -0.091 58.224 58.200 0.191 0.000 1.151 482 S CB 1.732 65.068 63.200 0.227 0.000 1.080 482 S HN 0.858 nan 8.310 nan 0.000 0.481 483 G N 2.339 111.227 108.800 0.146 0.000 3.067 483 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 483 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 483 G C 0.066 175.058 174.900 0.153 0.000 1.119 483 G CA -0.914 44.266 45.100 0.134 0.000 0.790 483 G HN 0.568 nan 8.290 nan 0.000 0.605 484 R N 0.387 120.946 120.500 0.099 0.000 2.073 484 R HA 0.017 4.357 4.340 -0.001 0.000 0.229 484 R C 0.330 176.589 176.300 -0.068 0.000 1.120 484 R CA 1.202 57.298 56.100 -0.007 0.000 0.967 484 R CB 0.023 30.293 30.300 -0.050 0.000 0.862 484 R HN 0.569 nan 8.270 nan 0.000 0.436 485 Y N -0.369 119.973 120.300 0.072 0.000 2.367 485 Y HA 0.235 4.785 4.550 -0.001 0.000 0.342 485 Y C 1.329 177.241 175.900 0.019 0.000 0.979 485 Y CA -0.586 57.533 58.100 0.032 0.000 1.161 485 Y CB 1.509 39.928 38.460 -0.068 0.000 1.155 485 Y HN 0.055 nan 8.280 nan 0.000 0.503 486 G N 2.371 111.217 108.800 0.077 0.000 2.505 486 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.214 486 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.214 486 G C -0.078 174.822 174.900 0.000 0.000 1.237 486 G CA 0.458 45.551 45.100 -0.012 0.000 0.802 486 G HN 0.384 nan 8.290 nan 0.000 0.549 487 V N 0.284 120.186 119.914 -0.020 0.000 2.448 487 V HA 0.617 4.737 4.120 -0.001 0.000 0.295 487 V C -0.510 175.605 176.094 0.036 0.000 1.025 487 V CA -0.569 61.735 62.300 0.006 0.000 0.859 487 V CB 1.632 33.442 31.823 -0.021 0.000 0.988 487 V HN 0.234 nan 8.190 nan 0.000 0.431 488 S N 5.407 121.148 115.700 0.068 0.000 2.519 488 S HA 0.737 5.206 4.470 -0.001 0.000 0.309 488 S C -0.856 173.859 174.600 0.192 0.000 1.100 488 S CA -0.548 57.687 58.200 0.058 0.000 1.059 488 S CB 0.675 63.772 63.200 -0.172 0.000 1.008 488 S HN 0.488 nan 8.310 nan 0.000 0.478 489 I N 3.976 124.617 120.570 0.118 0.000 2.406 489 I HA 0.419 4.588 4.170 -0.001 0.000 0.290 489 I C 1.146 177.335 176.117 0.120 0.000 0.999 489 I CA -0.524 60.842 61.300 0.110 0.000 1.124 489 I CB 0.768 38.791 38.000 0.039 0.000 1.289 489 I HN 0.710 nan 8.210 nan 0.000 0.441 490 G N 4.285 113.165 108.800 0.134 0.000 2.553 490 G HA2 0.365 4.324 3.960 -0.001 0.000 0.278 490 G HA3 0.365 4.324 3.960 -0.001 0.000 0.278 490 G C 0.119 175.048 174.900 0.048 0.000 1.349 490 G CA -0.315 44.855 45.100 0.116 0.000 1.037 490 G HN 0.704 nan 8.290 nan 0.000 0.508 491 S N -1.946 113.778 115.700 0.040 0.000 2.592 491 S HA 0.462 4.932 4.470 -0.001 0.000 0.271 491 S C 1.328 175.938 174.600 0.017 0.000 1.326 491 S CA 0.470 58.685 58.200 0.025 0.000 1.024 491 S CB 1.104 64.319 63.200 0.026 0.000 0.921 491 S HN 2.350 nan 8.310 nan 0.000 0.527 492 G N 0.755 109.565 108.800 0.015 0.000 2.168 492 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.263 492 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.263 492 G C -0.028 174.877 174.900 0.007 0.000 0.977 492 G CA 0.326 45.434 45.100 0.013 0.000 0.659 492 G HN 0.809 nan 8.290 nan 0.000 0.533 493 I N 1.162 121.734 120.570 0.003 0.000 2.416 493 I HA 0.224 4.394 4.170 -0.001 0.000 0.288 493 I C 1.480 177.595 176.117 -0.003 0.000 1.051 493 I CA -0.563 60.733 61.300 -0.005 0.000 1.375 493 I CB 0.976 38.969 38.000 -0.012 0.000 1.407 493 I HN 0.092 nan 8.210 nan 0.000 0.516 494 E N 4.480 124.676 120.200 -0.006 0.000 2.127 494 E HA 0.084 4.434 4.350 -0.001 0.000 0.191 494 E C -0.221 176.375 176.600 -0.006 0.000 0.964 494 E CA 0.735 57.133 56.400 -0.003 0.000 0.832 494 E CB 0.115 29.814 29.700 -0.001 0.000 0.790 494 E HN 0.538 nan 8.360 nan 0.000 0.465 495 N N 0.930 119.622 118.700 -0.013 0.000 2.609 495 N HA 0.234 4.973 4.740 -0.001 0.000 0.268 495 N C -0.811 174.686 175.510 -0.023 0.000 1.106 495 N CA -0.148 52.894 53.050 -0.014 0.000 0.823 495 N CB 2.556 41.035 38.487 -0.013 0.000 1.263 495 N HN -0.085 nan 8.380 nan 0.000 0.533 496 V N -1.185 118.715 119.914 -0.022 0.000 2.925 496 V HA 0.734 4.853 4.120 -0.001 0.000 0.311 496 V C -0.213 175.862 176.094 -0.030 0.000 1.104 496 V CA -0.635 61.649 62.300 -0.028 0.000 0.954 496 V CB 2.182 33.987 31.823 -0.030 0.000 1.022 496 V HN 0.319 nan 8.190 nan 0.000 0.427 497 S N 4.049 119.731 115.700 -0.030 0.000 2.498 497 S HA 0.761 5.230 4.470 -0.001 0.000 0.317 497 S C -0.542 174.032 174.600 -0.043 0.000 1.090 497 S CA -0.359 57.820 58.200 -0.035 0.000 1.089 497 S CB 0.948 64.140 63.200 -0.014 0.000 0.997 497 S HN 0.696 nan 8.310 nan 0.000 0.470 498 I N 3.689 124.221 120.570 -0.063 0.000 2.390 498 I HA 0.366 4.535 4.170 -0.001 0.000 0.283 498 I C 0.113 176.187 176.117 -0.072 0.000 1.016 498 I CA -0.248 61.014 61.300 -0.063 0.000 1.151 498 I CB 1.611 39.570 38.000 -0.069 0.000 1.293 498 I HN 0.579 nan 8.210 nan 0.000 0.458 499 T N 1.653 116.177 114.554 -0.051 0.000 2.893 499 T HA 0.441 4.791 4.350 -0.001 0.000 0.293 499 T C -0.253 174.427 174.700 -0.034 0.000 1.027 499 T CA -0.794 61.279 62.100 -0.045 0.000 0.988 499 T CB 1.516 70.369 68.868 -0.023 0.000 1.043 499 T HN 0.519 nan 8.240 nan 0.000 0.461 500 N N 1.561 120.241 118.700 -0.033 0.000 2.608 500 N HA -0.105 4.634 4.740 -0.001 0.000 0.273 500 N C -0.909 174.584 175.510 -0.028 0.000 1.133 500 N CA 0.487 53.522 53.050 -0.025 0.000 0.726 500 N CB -1.203 37.276 38.487 -0.013 0.000 0.890 500 N HN 0.713 nan 8.380 nan 0.000 0.548 501 I N 0.091 120.637 120.570 -0.040 0.000 2.406 501 I HA 0.406 4.576 4.170 -0.001 0.000 0.290 501 I C 0.599 176.688 176.117 -0.046 0.000 0.999 501 I CA -0.731 60.541 61.300 -0.046 0.000 1.124 501 I CB 1.689 39.649 38.000 -0.068 0.000 1.289 501 I HN 0.326 nan 8.210 nan 0.000 0.441 502 S N 3.839 119.520 115.700 -0.030 0.000 2.594 502 S HA 0.891 5.361 4.470 -0.001 0.000 0.296 502 S C -0.448 174.153 174.600 0.001 0.000 1.124 502 S CA -0.607 57.582 58.200 -0.018 0.000 1.011 502 S CB 2.033 65.234 63.200 0.002 0.000 1.016 502 S HN 0.897 nan 8.310 nan 0.000 0.485 503 G N 1.641 110.446 108.800 0.009 0.000 2.498 503 G HA2 0.749 4.709 3.960 -0.001 0.000 0.312 503 G HA3 0.749 4.709 3.960 -0.001 0.000 0.312 503 G C -1.231 173.798 174.900 0.215 0.000 1.230 503 G CA -1.049 44.115 45.100 0.106 0.000 0.968 503 G HN 0.792 nan 8.290 nan 0.000 0.481 504 I N 0.445 121.159 120.570 0.240 0.000 2.466 504 I HA 0.530 4.700 4.170 -0.001 0.000 0.289 504 I C 0.761 176.924 176.117 0.076 0.000 1.026 504 I CA -0.704 60.685 61.300 0.149 0.000 1.078 504 I CB 2.691 40.735 38.000 0.073 0.000 1.249 504 I HN 0.649 nan 8.210 nan 0.000 0.429 505 G N 3.247 111.981 108.800 -0.111 0.000 3.979 505 G HA2 0.081 4.040 3.960 -0.001 0.000 0.287 505 G HA3 0.081 4.040 3.960 -0.001 0.000 0.287 505 G C 0.482 175.219 174.900 -0.273 0.000 1.011 505 G CA -0.185 44.667 45.100 -0.413 0.000 0.818 505 G HN 0.567 nan 8.290 nan 0.000 0.470 506 D N 1.686 122.002 120.400 -0.140 0.000 2.087 506 D HA -0.112 4.528 4.640 -0.001 0.000 0.192 506 D C 2.340 178.580 176.300 -0.100 0.000 0.993 506 D CA 1.595 55.534 54.000 -0.102 0.000 0.828 506 D CB -0.284 40.482 40.800 -0.057 0.000 0.968 506 D HN 0.296 nan 8.370 nan 0.000 0.448 507 G N 0.267 109.016 108.800 -0.085 0.000 3.124 507 G HA2 0.172 4.132 3.960 -0.001 0.000 0.212 507 G HA3 0.172 4.132 3.960 -0.001 0.000 0.212 507 G C 0.727 175.576 174.900 -0.085 0.000 1.181 507 G CA -0.232 44.824 45.100 -0.073 0.000 0.803 507 G HN 0.171 nan 8.290 nan 0.000 0.529 508 I N 0.531 121.028 120.570 -0.122 0.000 2.472 508 I HA 0.080 4.249 4.170 -0.001 0.000 0.290 508 I C 0.333 176.385 176.117 -0.109 0.000 1.016 508 I CA -0.602 60.624 61.300 -0.123 0.000 1.348 508 I CB 1.374 39.257 38.000 -0.194 0.000 1.417 508 I HN 0.046 nan 8.210 nan 0.000 0.521 509 N N 4.596 123.250 118.700 -0.077 0.000 2.402 509 N HA -0.012 4.728 4.740 -0.001 0.000 0.259 509 N C -0.501 174.965 175.510 -0.074 0.000 1.167 509 N CA 0.096 53.108 53.050 -0.063 0.000 0.949 509 N CB 0.394 38.857 38.487 -0.039 0.000 1.212 509 N HN 0.708 nan 8.380 nan 0.000 0.493 510 S N 1.982 117.629 115.700 -0.088 0.000 3.625 510 S HA -0.088 4.381 4.470 -0.001 0.000 0.426 510 S C -2.465 172.053 174.600 -0.136 0.000 0.884 510 S CA -0.208 57.935 58.200 -0.095 0.000 1.322 510 S CB -0.886 62.276 63.200 -0.062 0.000 0.905 510 S HN 0.690 nan 8.310 nan 0.000 0.586 511 P HA 0.339 nan 4.420 nan 0.000 0.275 511 P C 0.634 177.804 177.300 -0.217 0.000 1.228 511 P CA -0.444 62.498 63.100 -0.264 0.000 0.786 511 P CB 1.098 32.491 31.700 -0.512 0.000 0.927 512 V N 1.252 121.012 119.914 -0.257 0.000 2.868 512 V HA 0.429 4.548 4.120 -0.001 0.000 0.227 512 V C 0.916 176.947 176.094 -0.104 0.000 1.136 512 V CA 1.186 63.297 62.300 -0.316 0.000 1.206 512 V CB -0.768 30.553 31.823 -0.836 0.000 0.997 512 V HN 0.734 nan 8.190 nan 0.000 0.505 513 A N -0.275 122.481 122.820 -0.106 0.000 2.449 513 A HA 0.630 4.949 4.320 -0.001 0.000 0.302 513 A C 0.323 177.805 177.584 -0.170 0.000 1.048 513 A CA -0.354 51.681 52.037 -0.003 0.000 0.708 513 A CB 1.691 20.702 19.000 0.017 0.000 1.274 513 A HN 0.214 nan 8.150 nan 0.000 0.410 514 L N 1.678 122.612 121.223 -0.483 0.000 2.027 514 L HA 0.111 4.450 4.340 -0.001 0.000 0.206 514 L C -0.048 176.603 176.870 -0.365 0.000 1.074 514 L CA 2.149 56.461 54.840 -0.880 0.000 0.745 514 L CB -0.060 41.578 42.059 -0.702 0.000 0.898 514 L HN 0.479 nan 8.230 nan 0.000 0.433 515 V N -0.287 119.521 119.914 -0.177 0.000 2.656 515 V HA 0.413 4.532 4.120 -0.001 0.000 0.307 515 V C -0.429 175.673 176.094 0.013 0.000 1.051 515 V CA -0.502 61.756 62.300 -0.069 0.000 0.893 515 V CB 1.755 33.538 31.823 -0.066 0.000 0.999 515 V HN 0.263 nan 8.190 nan 0.000 0.426 516 S N 2.402 118.136 115.700 0.056 0.000 2.571 516 S HA 0.785 5.255 4.470 -0.001 0.000 0.284 516 S C -0.795 173.833 174.600 0.048 0.000 1.128 516 S CA -0.292 57.967 58.200 0.097 0.000 0.970 516 S CB 1.671 65.005 63.200 0.224 0.000 1.039 516 S HN 0.813 nan 8.310 nan 0.000 0.485 517 T N 4.248 118.830 114.554 0.046 0.000 3.011 517 T HA 0.262 4.612 4.350 -0.001 0.000 0.303 517 T C 1.122 175.841 174.700 0.033 0.000 0.997 517 T CA -0.508 61.610 62.100 0.031 0.000 1.007 517 T CB 1.163 70.042 68.868 0.018 0.000 1.017 517 T HN 0.672 nan 8.240 nan 0.000 0.443 518 I N 2.171 122.755 120.570 0.023 0.000 2.353 518 I HA 0.143 4.312 4.170 -0.001 0.000 0.248 518 I C 0.863 176.996 176.117 0.027 0.000 1.119 518 I CA 0.833 62.146 61.300 0.021 0.000 1.417 518 I CB -0.049 37.957 38.000 0.011 0.000 1.078 518 I HN 0.595 nan 8.210 nan 0.000 0.421 519 N N 0.192 118.906 118.700 0.024 0.000 2.563 519 N HA 0.112 4.852 4.740 -0.001 0.000 0.288 519 N C 0.264 175.785 175.510 0.019 0.000 1.246 519 N CA 0.102 53.165 53.050 0.023 0.000 0.946 519 N CB 1.582 40.080 38.487 0.018 0.000 1.213 519 N HN 0.065 nan 8.380 nan 0.000 0.578 520 S N -1.031 114.678 115.700 0.016 0.000 2.557 520 S HA 0.067 4.536 4.470 -0.001 0.000 0.223 520 S C 0.334 174.927 174.600 -0.012 0.000 0.969 520 S CA -0.259 57.945 58.200 0.007 0.000 0.927 520 S CB -0.741 62.470 63.200 0.019 0.000 0.806 520 S HN 0.715 nan 8.310 nan 0.000 0.489 521 N N 0.457 119.153 118.700 -0.008 0.000 2.205 521 N HA 0.260 5.000 4.740 -0.001 0.000 0.201 521 N C -2.822 172.677 175.510 -0.019 0.000 1.128 521 N CA -0.917 52.126 53.050 -0.010 0.000 0.867 521 N CB -0.856 37.633 38.487 0.003 0.000 0.996 521 N HN 0.209 nan 8.380 nan 0.000 0.503 522 P HA 0.092 nan 4.420 nan 0.000 0.269 522 P C -0.388 176.866 177.300 -0.077 0.000 1.209 522 P CA 0.204 63.278 63.100 -0.043 0.000 0.776 522 P CB 0.626 32.301 31.700 -0.041 0.000 0.876 523 E N 1.740 121.888 120.200 -0.088 0.000 2.191 523 E HA 0.532 4.882 4.350 -0.001 0.000 0.278 523 E C -0.422 176.052 176.600 -0.210 0.000 0.972 523 E CA -0.497 55.804 56.400 -0.165 0.000 0.804 523 E CB 1.042 30.670 29.700 -0.121 0.000 1.110 523 E HN 0.340 nan 8.360 nan 0.000 0.394 524 I N 1.898 122.279 120.570 -0.316 0.000 2.569 524 I HA 0.305 4.475 4.170 -0.001 0.000 0.290 524 I C -0.622 175.300 176.117 -0.325 0.000 1.088 524 I CA -0.428 60.715 61.300 -0.261 0.000 1.047 524 I CB 1.987 39.859 38.000 -0.213 0.000 1.237 524 I HN 0.521 nan 8.210 nan 0.000 0.421 525 S N 2.854 118.424 115.700 -0.217 0.000 2.565 525 S HA 0.748 5.218 4.470 -0.001 0.000 0.269 525 S C -0.004 174.543 174.600 -0.088 0.000 1.153 525 S CA -0.206 57.896 58.200 -0.163 0.000 0.835 525 S CB 1.776 64.891 63.200 -0.141 0.000 1.122 525 S HN 1.501 nan 8.310 nan 0.000 0.462 526 G N 0.933 109.698 108.800 -0.058 0.000 2.333 526 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.296 526 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.296 526 G C -0.435 174.439 174.900 -0.043 0.000 1.059 526 G CA 0.231 45.310 45.100 -0.036 0.000 1.050 526 G HN 0.952 nan 8.290 nan 0.000 0.508 527 L N 0.996 122.189 121.223 -0.051 0.000 2.282 527 L HA 0.715 5.054 4.340 -0.001 0.000 0.288 527 L C 0.639 177.487 176.870 -0.037 0.000 1.033 527 L CA -0.169 54.639 54.840 -0.053 0.000 0.807 527 L CB 1.727 43.746 42.059 -0.066 0.000 1.209 527 L HN 0.551 nan 8.230 nan 0.000 0.423 528 S N 1.724 117.403 115.700 -0.034 0.000 2.564 528 S HA 0.897 5.366 4.470 -0.001 0.000 0.274 528 S C -0.710 173.881 174.600 -0.015 0.000 1.124 528 S CA -0.589 57.601 58.200 -0.016 0.000 0.869 528 S CB 2.364 65.562 63.200 -0.003 0.000 1.105 528 S HN 0.676 nan 8.310 nan 0.000 0.472 529 S N 0.710 116.419 115.700 0.014 0.000 2.567 529 S HA 0.718 5.187 4.470 -0.001 0.000 0.270 529 S C -1.566 173.090 174.600 0.092 0.000 1.152 529 S CA -0.836 57.401 58.200 0.061 0.000 0.835 529 S CB 0.981 64.214 63.200 0.054 0.000 1.115 529 S HN 1.469 nan 8.310 nan 0.000 0.459 530 I N 1.120 121.762 120.570 0.120 0.000 2.509 530 I HA 0.775 4.944 4.170 -0.001 0.000 0.293 530 I C 0.887 177.058 176.117 0.089 0.000 1.020 530 I CA 1.083 62.434 61.300 0.085 0.000 1.088 530 I CB 1.414 39.443 38.000 0.047 0.000 1.267 530 I HN 1.646 nan 8.210 nan 0.000 0.430 531 G N 4.444 113.265 108.800 0.035 0.000 2.199 531 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.254 531 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.254 531 G C -0.187 174.631 174.900 -0.137 0.000 0.982 531 G CA 0.185 45.251 45.100 -0.057 0.000 0.632 531 G HN 0.561 nan 8.290 nan 0.000 0.529 532 Y N 0.621 120.901 120.300 -0.033 0.000 2.326 532 Y HA 0.460 5.009 4.550 -0.001 0.000 0.337 532 Y C -0.787 175.086 175.900 -0.045 0.000 1.023 532 Y CA -1.578 56.493 58.100 -0.048 0.000 1.143 532 Y CB 1.676 40.109 38.460 -0.045 0.000 1.183 532 Y HN -0.037 nan 8.280 nan 0.000 0.485 533 P HA -0.059 nan 4.420 nan 0.000 0.220 533 P C -0.429 176.894 177.300 0.039 0.000 1.148 533 P CA 1.285 64.400 63.100 0.026 0.000 0.803 533 P CB 0.377 32.070 31.700 -0.013 0.000 0.782 534 T N -1.486 113.107 114.554 0.066 0.000 2.881 534 T HA 0.254 4.604 4.350 -0.001 0.000 0.290 534 T C 1.014 175.739 174.700 0.043 0.000 1.000 534 T CA -0.567 61.558 62.100 0.043 0.000 0.978 534 T CB 2.329 71.211 68.868 0.023 0.000 0.997 534 T HN -0.387 nan 8.240 nan 0.000 0.443 535 V N 1.197 121.127 119.914 0.027 0.000 2.407 535 V HA 0.255 4.374 4.120 -0.001 0.000 0.245 535 V C 1.166 177.246 176.094 -0.024 0.000 1.041 535 V CA 1.445 63.735 62.300 -0.016 0.000 1.040 535 V CB -0.342 31.481 31.823 -0.000 0.000 0.671 535 V HN 1.030 nan 8.190 nan 0.000 0.455 536 A N 0.177 123.022 122.820 0.043 0.000 2.381 536 A HA 0.700 5.019 4.320 -0.001 0.000 0.299 536 A C -0.348 177.320 177.584 0.141 0.000 1.049 536 A CA -0.574 51.510 52.037 0.079 0.000 0.715 536 A CB 1.133 20.185 19.000 0.088 0.000 1.222 536 A HN 0.239 nan 8.150 nan 0.000 0.428 537 R N 2.660 123.228 120.500 0.114 0.000 2.288 537 R HA 0.611 4.950 4.340 -0.001 0.000 0.326 537 R C -1.786 174.598 176.300 0.140 0.000 0.959 537 R CA -0.174 56.000 56.100 0.123 0.000 0.834 537 R CB 1.068 31.427 30.300 0.098 0.000 1.157 537 R HN 0.469 nan 8.270 nan 0.000 0.470 538 V N 3.639 123.682 119.914 0.216 0.000 2.487 538 V HA 0.417 4.536 4.120 -0.001 0.000 0.298 538 V C 0.213 176.407 176.094 0.167 0.000 1.028 538 V CA -0.284 62.121 62.300 0.175 0.000 0.860 538 V CB 1.535 33.444 31.823 0.143 0.000 0.991 538 V HN 1.010 nan 8.190 nan 0.000 0.427 539 A N 4.067 126.943 122.820 0.094 0.000 2.511 539 A HA 0.026 4.345 4.320 -0.001 0.000 0.297 539 A C 1.503 179.124 177.584 0.062 0.000 1.476 539 A CA 1.346 53.426 52.037 0.071 0.000 0.757 539 A CB -1.512 17.530 19.000 0.071 0.000 1.072 539 A HN 2.706 nan 8.150 nan 0.000 0.413 540 G N -1.530 107.301 108.800 0.051 0.000 2.323 540 G HA2 0.075 4.034 3.960 -0.001 0.000 0.292 540 G HA3 0.075 4.034 3.960 -0.001 0.000 0.292 540 G C 0.180 175.078 174.900 -0.003 0.000 1.040 540 G CA 0.963 46.079 45.100 0.027 0.000 0.942 540 G HN 2.169 nan 8.290 nan 0.000 0.506 541 T N 0.184 114.729 114.554 -0.015 0.000 2.991 541 T HA 0.434 4.783 4.350 -0.001 0.000 0.303 541 T C -0.991 173.529 174.700 -0.301 0.000 1.015 541 T CA -0.822 61.173 62.100 -0.175 0.000 1.007 541 T CB 1.853 70.583 68.868 -0.231 0.000 1.034 541 T HN 0.119 nan 8.240 nan 0.000 0.446 542 D N 2.102 122.302 120.400 -0.333 0.000 2.348 542 D HA 0.222 4.861 4.640 -0.001 0.000 0.253 542 D C -0.662 175.316 176.300 -0.536 0.000 1.161 542 D CA 0.219 54.056 54.000 -0.272 0.000 0.876 542 D CB 0.542 41.255 40.800 -0.145 0.000 1.160 542 D HN 0.494 nan 8.370 nan 0.000 0.459 543 Y N 1.850 122.144 120.300 -0.011 0.000 2.842 543 Y HA 0.210 4.759 4.550 -0.001 0.000 0.334 543 Y C 1.392 177.282 175.900 -0.017 0.000 1.019 543 Y CA -0.713 57.377 58.100 -0.017 0.000 1.258 543 Y CB 0.348 38.792 38.460 -0.027 0.000 1.106 543 Y HN 0.240 nan 8.280 nan 0.000 0.545 544 N N 1.035 119.765 118.700 0.050 0.000 2.453 544 N HA -0.129 4.610 4.740 -0.001 0.000 0.183 544 N C 0.056 175.590 175.510 0.040 0.000 1.041 544 N CA 1.202 54.271 53.050 0.031 0.000 0.900 544 N CB 0.298 38.787 38.487 0.004 0.000 0.961 544 N HN 0.651 nan 8.380 nan 0.000 0.443 545 D N -0.301 120.129 120.400 0.051 0.000 2.501 545 D HA 0.256 4.895 4.640 -0.001 0.000 0.224 545 D C 0.781 177.100 176.300 0.031 0.000 1.202 545 D CA 0.104 54.126 54.000 0.036 0.000 0.829 545 D CB 1.043 41.860 40.800 0.028 0.000 1.023 545 D HN 0.172 nan 8.370 nan 0.000 0.499 546 G N 0.784 109.612 108.800 0.047 0.000 2.612 546 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.686 546 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.686 546 G C -1.395 173.504 174.900 -0.002 0.000 1.274 546 G CA -0.892 44.217 45.100 0.014 0.000 0.849 546 G HN 0.155 nan 8.290 nan 0.000 0.595 547 L N -0.251 120.922 121.223 -0.083 0.000 2.371 547 L HA 0.811 5.150 4.340 -0.001 0.000 0.262 547 L C -0.145 176.612 176.870 -0.188 0.000 1.006 547 L CA -0.902 53.825 54.840 -0.189 0.000 0.818 547 L CB 2.619 44.456 42.059 -0.370 0.000 1.354 547 L HN 0.779 nan 8.230 nan 0.000 0.415 548 T N 4.010 118.443 114.554 -0.202 0.000 2.809 548 T HA 0.476 4.826 4.350 -0.001 0.000 0.296 548 T C -0.947 173.567 174.700 -0.311 0.000 1.015 548 T CA -0.277 61.682 62.100 -0.234 0.000 0.954 548 T CB 1.106 69.910 68.868 -0.107 0.000 0.950 548 T HN 0.266 nan 8.240 nan 0.000 0.450 549 L N 4.400 125.346 121.223 -0.462 0.000 2.376 549 L HA 0.786 5.125 4.340 -0.001 0.000 0.275 549 L C -1.943 174.582 176.870 -0.575 0.000 0.987 549 L CA -1.074 53.524 54.840 -0.403 0.000 0.828 549 L CB 0.478 42.349 42.059 -0.313 0.000 1.249 549 L HN 0.459 nan 8.230 nan 0.000 0.409 550 F N 3.272 123.166 119.950 -0.093 0.000 2.522 550 F HA 0.600 5.126 4.527 -0.001 0.000 0.324 550 F C 0.453 176.240 175.800 -0.023 0.000 1.077 550 F CA -0.518 57.467 58.000 -0.025 0.000 0.944 550 F CB 1.905 40.937 39.000 0.055 0.000 1.175 550 F HN 0.476 nan 8.300 nan 0.000 0.468 551 N N 0.850 119.668 118.700 0.196 0.000 2.319 551 N HA 0.709 5.448 4.740 -0.001 0.000 0.305 551 N C 0.027 175.622 175.510 0.142 0.000 1.103 551 N CA 0.091 53.215 53.050 0.122 0.000 0.815 551 N CB 2.016 40.539 38.487 0.060 0.000 1.288 551 N HN 0.901 nan 8.380 nan 0.000 0.493 552 G N -0.061 108.804 108.800 0.109 0.000 2.549 552 G HA2 0.109 4.068 3.960 -0.001 0.000 0.404 552 G HA3 0.109 4.068 3.960 -0.001 0.000 0.404 552 G C -0.653 174.322 174.900 0.125 0.000 1.292 552 G CA -0.421 44.729 45.100 0.084 0.000 0.935 552 G HN 0.742 nan 8.290 nan 0.000 0.512 553 A N -0.528 122.342 122.820 0.083 0.000 2.540 553 A HA 0.543 4.862 4.320 -0.001 0.000 0.239 553 A C -0.295 177.398 177.584 0.181 0.000 1.061 553 A CA 1.042 53.145 52.037 0.109 0.000 0.758 553 A CB 0.116 19.138 19.000 0.037 0.000 0.991 553 A HN 1.951 nan 8.150 nan 0.000 0.502 554 F N 2.093 122.080 119.950 0.062 0.000 2.520 554 F HA 0.689 5.216 4.527 -0.001 0.000 0.322 554 F C 0.119 175.948 175.800 0.048 0.000 1.103 554 F CA -0.701 57.320 58.000 0.035 0.000 0.926 554 F CB 1.703 40.738 39.000 0.058 0.000 1.154 554 F HN 0.676 nan 8.300 nan 0.000 0.453 555 R N 4.440 124.464 120.500 -0.794 0.000 2.533 555 R HA 0.827 5.166 4.340 -0.001 0.000 0.288 555 R C -2.208 173.630 176.300 -0.770 0.000 1.039 555 R CA -0.609 55.176 56.100 -0.524 0.000 0.909 555 R CB 1.555 31.695 30.300 -0.266 0.000 1.195 555 R HN 0.816 nan 8.270 nan 0.000 0.438 556 A N 2.273 124.841 122.820 -0.420 0.000 2.449 556 A HA 0.503 4.823 4.320 -0.001 0.000 0.302 556 A C 0.007 177.532 177.584 -0.098 0.000 1.048 556 A CA -0.069 51.810 52.037 -0.264 0.000 0.708 556 A CB 1.560 20.497 19.000 -0.106 0.000 1.274 556 A HN 1.627 nan 8.150 nan 0.000 0.410 557 S N -0.115 115.535 115.700 -0.084 0.000 3.581 557 S HA -0.160 4.309 4.470 -0.001 0.000 0.354 557 S C 0.154 174.735 174.600 -0.032 0.000 1.059 557 S CA 1.408 59.582 58.200 -0.042 0.000 1.060 557 S CB -2.626 60.565 63.200 -0.015 0.000 0.908 557 S HN 2.673 nan 8.310 nan 0.000 0.475 558 T N -2.268 112.257 114.554 -0.048 0.000 2.908 558 T HA 0.735 5.084 4.350 -0.001 0.000 0.290 558 T C 1.274 175.951 174.700 -0.038 0.000 1.034 558 T CA 0.097 62.178 62.100 -0.033 0.000 1.010 558 T CB 1.851 70.704 68.868 -0.025 0.000 1.068 558 T HN 0.811 nan 8.240 nan 0.000 0.481 559 T N 0.221 114.759 114.554 -0.026 0.000 2.852 559 T HA 0.256 4.605 4.350 -0.001 0.000 0.256 559 T C 0.991 175.673 174.700 -0.029 0.000 1.038 559 T CA 0.718 62.803 62.100 -0.026 0.000 1.141 559 T CB -0.480 68.377 68.868 -0.018 0.000 0.869 559 T HN 1.143 nan 8.240 nan 0.000 0.439 560 S N 0.390 116.075 115.700 -0.026 0.000 2.579 560 S HA 0.699 5.169 4.470 -0.001 0.000 0.272 560 S C -1.009 173.575 174.600 -0.026 0.000 1.141 560 S CA -0.564 57.620 58.200 -0.027 0.000 0.843 560 S CB 2.197 65.384 63.200 -0.022 0.000 1.122 560 S HN 0.955 nan 8.310 nan 0.000 0.468 561 S N 0.215 115.898 115.700 -0.028 0.000 2.550 561 S HA 0.863 5.333 4.470 -0.001 0.000 0.270 561 S C 0.311 174.897 174.600 -0.024 0.000 1.145 561 S CA -0.465 57.721 58.200 -0.025 0.000 0.852 561 S CB 0.983 64.166 63.200 -0.027 0.000 1.119 561 S HN 1.411 nan 8.310 nan 0.000 0.465 562 G N 1.193 109.980 108.800 -0.021 0.000 2.783 562 G HA2 0.394 4.353 3.960 -0.001 0.000 0.182 562 G HA3 0.394 4.353 3.960 -0.001 0.000 0.182 562 G C -0.580 174.309 174.900 -0.018 0.000 1.516 562 G CA -0.962 44.127 45.100 -0.019 0.000 1.079 562 G HN 0.821 nan 8.290 nan 0.000 0.573 563 K N 0.101 120.492 120.400 -0.014 0.000 2.401 563 K HA 0.234 4.554 4.320 -0.001 0.000 0.278 563 K C -0.735 175.864 176.600 -0.002 0.000 1.018 563 K CA 0.631 56.914 56.287 -0.007 0.000 0.981 563 K CB 0.825 33.324 32.500 -0.002 0.000 0.933 563 K HN 0.200 nan 8.250 nan 0.000 0.477 564 I N 2.895 123.470 120.570 0.007 0.000 2.439 564 I HA 0.089 4.258 4.170 -0.001 0.000 0.283 564 I C 0.350 176.499 176.117 0.053 0.000 1.023 564 I CA -0.782 60.534 61.300 0.027 0.000 1.100 564 I CB 1.194 39.209 38.000 0.026 0.000 1.238 564 I HN 0.575 nan 8.210 nan 0.000 0.445 565 H N 4.703 123.760 119.070 -0.023 0.000 2.852 565 H HA 0.006 4.561 4.556 -0.001 0.000 0.362 565 H C 1.298 176.634 175.328 0.014 0.000 1.122 565 H CA 1.001 57.040 56.048 -0.014 0.000 1.419 565 H CB 1.482 31.224 29.762 -0.034 0.000 1.401 565 H HN 0.804 nan 8.280 nan 0.000 0.609 566 S N 2.749 118.242 115.700 -0.345 0.000 2.420 566 S HA -0.190 4.279 4.470 -0.001 0.000 0.237 566 S C 0.905 175.578 174.600 0.123 0.000 1.023 566 S CA 1.576 59.710 58.200 -0.110 0.000 0.991 566 S CB 0.047 63.126 63.200 -0.202 0.000 0.792 566 S HN 0.619 nan 8.310 nan 0.000 0.488 567 E N 1.132 121.567 120.200 0.391 0.000 2.651 567 E HA 0.506 4.855 4.350 -0.001 0.000 0.213 567 E C 0.206 176.912 176.600 0.177 0.000 1.028 567 E CA 0.001 56.564 56.400 0.271 0.000 1.183 567 E CB 0.633 30.458 29.700 0.208 0.000 1.188 567 E HN 0.599 nan 8.360 nan 0.000 0.444 568 G N 0.112 109.016 108.800 0.173 0.000 2.569 568 G HA2 0.665 4.624 3.960 -0.001 0.000 0.300 568 G HA3 0.665 4.624 3.960 -0.001 0.000 0.300 568 G C -1.012 173.956 174.900 0.114 0.000 1.269 568 G CA -0.862 44.239 45.100 0.001 0.000 0.959 568 G HN 0.136 nan 8.290 nan 0.000 0.478 569 F N -1.477 118.531 119.950 0.096 0.000 2.662 569 F HA 0.843 5.370 4.527 -0.001 0.000 0.312 569 F C -1.460 174.390 175.800 0.083 0.000 1.113 569 F CA -1.550 56.533 58.000 0.139 0.000 0.951 569 F CB 1.810 40.937 39.000 0.212 0.000 1.344 569 F HN 0.344 nan 8.300 nan 0.000 0.462 570 I N 2.801 123.585 120.570 0.356 0.000 2.478 570 I HA 0.510 4.680 4.170 -0.001 0.000 0.287 570 I C -0.985 175.268 176.117 0.227 0.000 1.042 570 I CA -0.403 61.034 61.300 0.227 0.000 1.067 570 I CB 2.071 40.111 38.000 0.068 0.000 1.233 570 I HN 0.633 nan 8.210 nan 0.000 0.431 571 M N 4.369 124.111 119.600 0.236 0.000 2.393 571 M HA 0.478 4.958 4.480 -0.001 0.000 0.299 571 M C 0.594 176.947 176.300 0.087 0.000 1.103 571 M CA -0.703 54.681 55.300 0.139 0.000 0.910 571 M CB 2.175 34.858 32.600 0.139 0.000 1.659 571 M HN 0.750 nan 8.290 nan 0.000 0.445 572 G N 1.910 110.737 108.800 0.045 0.000 2.323 572 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.292 572 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.292 572 G C -0.360 174.558 174.900 0.029 0.000 1.040 572 G CA 0.482 45.600 45.100 0.030 0.000 0.942 572 G HN 0.636 nan 8.290 nan 0.000 0.506 573 S N -1.187 114.527 115.700 0.023 0.000 2.599 573 S HA 0.920 5.389 4.470 -0.001 0.000 0.294 573 S C 0.160 174.763 174.600 0.006 0.000 1.094 573 S CA 0.080 58.292 58.200 0.020 0.000 0.931 573 S CB 2.378 65.597 63.200 0.031 0.000 1.093 573 S HN 1.292 nan 8.310 nan 0.000 0.488 574 T N -1.410 113.146 114.554 0.004 0.000 2.896 574 T HA 0.686 5.036 4.350 -0.001 0.000 0.297 574 T C -0.547 174.150 174.700 -0.005 0.000 1.108 574 T CA -0.227 61.871 62.100 -0.003 0.000 1.004 574 T CB 1.119 69.986 68.868 -0.002 0.000 1.159 574 T HN 1.489 nan 8.240 nan 0.000 0.499 575 S N -0.295 115.399 115.700 -0.009 0.000 3.386 575 S HA 0.061 4.531 4.470 -0.001 0.000 0.403 575 S C 1.315 175.908 174.600 -0.011 0.000 0.893 575 S CA 0.596 58.790 58.200 -0.010 0.000 1.336 575 S CB -2.288 60.908 63.200 -0.008 0.000 0.925 575 S HN 2.873 nan 8.310 nan 0.000 0.589 576 G N -0.200 108.592 108.800 -0.014 0.000 2.176 576 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.252 576 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.252 576 G C 0.500 175.389 174.900 -0.017 0.000 1.024 576 G CA -0.179 44.911 45.100 -0.016 0.000 0.755 576 G HN 1.639 nan 8.290 nan 0.000 0.507 577 C N 0.278 119.569 119.300 -0.015 0.000 2.611 577 C HA 0.497 4.957 4.460 -0.001 0.000 0.416 577 C C 0.837 175.814 174.990 -0.022 0.000 1.366 577 C CA 0.561 59.569 59.018 -0.016 0.000 1.761 577 C CB 0.325 28.061 27.740 -0.007 0.000 2.619 577 C HN 0.673 nan 8.230 nan 0.000 0.606 578 E N 1.600 121.781 120.200 -0.032 0.000 2.292 578 E HA 0.621 4.970 4.350 -0.001 0.000 0.272 578 E C -1.153 175.413 176.600 -0.057 0.000 0.881 578 E CA -0.528 55.851 56.400 -0.036 0.000 0.754 578 E CB 1.444 31.126 29.700 -0.031 0.000 1.201 578 E HN 0.727 nan 8.360 nan 0.000 0.425 579 A N 3.043 125.827 122.820 -0.060 0.000 2.763 579 A HA 0.310 4.629 4.320 -0.001 0.000 0.325 579 A C 0.188 177.739 177.584 -0.055 0.000 1.209 579 A CA -0.293 51.685 52.037 -0.097 0.000 0.764 579 A CB 0.399 19.298 19.000 -0.168 0.000 1.120 579 A HN 0.605 nan 8.150 nan 0.000 0.463 580 S N 0.538 116.207 115.700 -0.052 0.000 2.548 580 S HA 0.261 4.731 4.470 -0.001 0.000 0.215 580 S C 0.742 175.336 174.600 -0.011 0.000 0.976 580 S CA 0.660 58.857 58.200 -0.006 0.000 0.908 580 S CB -0.824 62.368 63.200 -0.014 0.000 0.781 580 S HN 1.623 nan 8.310 nan 0.000 0.519 581 V N -1.899 117.930 119.914 -0.141 0.000 3.158 581 V HA 0.727 4.847 4.120 -0.001 0.000 0.315 581 V C 0.120 175.829 176.094 -0.643 0.000 1.148 581 V CA -1.050 61.029 62.300 -0.368 0.000 1.042 581 V CB 1.116 32.780 31.823 -0.265 0.000 1.101 581 V HN 0.123 nan 8.190 nan 0.000 0.448 582 S N 1.016 116.174 115.700 -0.904 0.000 2.537 582 S HA 0.234 4.703 4.470 -0.001 0.000 0.286 582 S C 0.489 174.909 174.600 -0.300 0.000 1.299 582 S CA 0.621 58.459 58.200 -0.603 0.000 1.067 582 S CB -0.776 62.199 63.200 -0.374 0.000 0.864 582 S HN 0.982 nan 8.310 nan 0.000 0.494 583 K N 1.252 121.547 120.400 -0.175 0.000 3.125 583 K HA -0.144 4.176 4.320 -0.001 0.000 0.268 583 K C -0.468 176.004 176.600 -0.214 0.000 1.078 583 K CA 0.871 57.069 56.287 -0.149 0.000 0.775 583 K CB -2.391 30.020 32.500 -0.150 0.000 1.253 583 K HN 0.724 nan 8.250 nan 0.000 0.486 584 S N -0.640 114.908 115.700 -0.254 0.000 2.513 584 S HA 0.846 5.315 4.470 -0.001 0.000 0.299 584 S C 0.113 174.419 174.600 -0.489 0.000 1.087 584 S CA -0.190 57.831 58.200 -0.298 0.000 1.012 584 S CB 2.650 65.705 63.200 -0.241 0.000 1.044 584 S HN 0.432 nan 8.310 nan 0.000 0.485 585 G N 0.505 108.971 108.800 -0.556 0.000 2.733 585 G HA2 0.597 4.557 3.960 -0.001 0.000 0.297 585 G HA3 0.597 4.557 3.960 -0.001 0.000 0.297 585 G C -1.812 172.829 174.900 -0.432 0.000 1.422 585 G CA -0.714 43.778 45.100 -1.014 0.000 0.942 585 G HN 0.933 nan 8.290 nan 0.000 0.510 586 V N 1.857 121.619 119.914 -0.253 0.000 2.531 586 V HA 0.601 4.720 4.120 -0.001 0.000 0.301 586 V C -0.275 175.904 176.094 0.142 0.000 1.034 586 V CA -0.597 61.692 62.300 -0.019 0.000 0.865 586 V CB 1.436 33.241 31.823 -0.031 0.000 0.995 586 V HN 0.647 nan 8.190 nan 0.000 0.424 587 L N 3.432 124.736 121.223 0.135 0.000 2.362 587 L HA 0.562 4.901 4.340 -0.001 0.000 0.271 587 L C 0.712 177.630 176.870 0.079 0.000 1.002 587 L CA -0.673 54.252 54.840 0.142 0.000 0.818 587 L CB 2.208 44.359 42.059 0.154 0.000 1.298 587 L HN 0.933 nan 8.230 nan 0.000 0.420 588 T N -1.428 113.166 114.554 0.066 0.000 3.708 588 T HA -0.192 4.157 4.350 -0.001 0.000 0.375 588 T C 0.051 174.771 174.700 0.033 0.000 0.763 588 T CA 0.752 62.878 62.100 0.043 0.000 1.915 588 T CB -1.644 67.249 68.868 0.041 0.000 1.783 588 T HN 0.586 nan 8.240 nan 0.000 0.734 589 S N 0.229 115.947 115.700 0.029 0.000 2.595 589 S HA 0.836 5.305 4.470 -0.001 0.000 0.281 589 S C -0.280 174.328 174.600 0.013 0.000 1.117 589 S CA -0.318 57.894 58.200 0.020 0.000 0.873 589 S CB 2.291 65.502 63.200 0.018 0.000 1.108 589 S HN 1.148 nan 8.310 nan 0.000 0.477 590 S N 0.660 116.364 115.700 0.008 0.000 2.500 590 S HA 0.626 5.095 4.470 -0.001 0.000 0.301 590 S C -0.032 174.567 174.600 -0.002 0.000 1.092 590 S CA -0.046 58.156 58.200 0.003 0.000 1.030 590 S CB 1.207 64.409 63.200 0.004 0.000 1.031 590 S HN 1.856 nan 8.310 nan 0.000 0.483 591 S N 1.051 116.748 115.700 -0.006 0.000 3.447 591 S HA -0.150 4.320 4.470 -0.001 0.000 0.371 591 S C -0.012 174.580 174.600 -0.013 0.000 0.951 591 S CA 0.544 58.738 58.200 -0.010 0.000 1.269 591 S CB -2.522 60.672 63.200 -0.009 0.000 0.919 591 S HN 1.014 nan 8.310 nan 0.000 0.516 592 S N 1.248 116.938 115.700 -0.015 0.000 2.536 592 S HA 0.718 5.187 4.470 -0.001 0.000 0.298 592 S C -0.270 174.312 174.600 -0.030 0.000 1.083 592 S CA -1.006 57.181 58.200 -0.021 0.000 0.995 592 S CB 1.725 64.915 63.200 -0.017 0.000 1.058 592 S HN 0.582 nan 8.310 nan 0.000 0.488 593 K N 1.265 121.642 120.400 -0.038 0.000 2.443 593 K HA 0.563 4.882 4.320 -0.001 0.000 0.252 593 K C -1.004 175.560 176.600 -0.061 0.000 0.933 593 K CA -0.577 55.682 56.287 -0.047 0.000 0.792 593 K CB 2.119 34.595 32.500 -0.041 0.000 1.185 593 K HN 0.524 nan 8.250 nan 0.000 0.425 594 T N 0.065 114.572 114.554 -0.077 0.000 2.824 594 T HA 0.263 4.612 4.350 -0.001 0.000 0.282 594 T C 0.005 174.645 174.700 -0.099 0.000 0.993 594 T CA -0.505 61.538 62.100 -0.096 0.000 0.967 594 T CB 0.809 69.603 68.868 -0.123 0.000 0.960 594 T HN 0.549 nan 8.240 nan 0.000 0.441 595 S N 2.603 118.245 115.700 -0.096 0.000 2.843 595 S HA 0.326 4.795 4.470 -0.001 0.000 0.249 595 S C 0.296 174.823 174.600 -0.121 0.000 1.047 595 S CA -0.582 57.558 58.200 -0.100 0.000 1.042 595 S CB 0.182 63.338 63.200 -0.073 0.000 0.936 595 S HN 0.565 nan 8.310 nan 0.000 0.531 596 S N 1.612 117.228 115.700 -0.140 0.000 2.457 596 S HA 0.367 4.836 4.470 -0.001 0.000 0.289 596 S C -0.384 174.087 174.600 -0.216 0.000 1.163 596 S CA -0.395 57.707 58.200 -0.163 0.000 1.078 596 S CB 1.005 64.114 63.200 -0.153 0.000 0.987 596 S HN 0.607 nan 8.310 nan 0.000 0.482 597 E N 3.393 123.448 120.200 -0.242 0.000 2.290 597 E HA 0.254 4.604 4.350 -0.001 0.000 0.277 597 E C -0.517 175.832 176.600 -0.417 0.000 1.035 597 E CA -0.155 56.068 56.400 -0.295 0.000 0.873 597 E CB 0.199 29.743 29.700 -0.261 0.000 1.029 597 E HN 0.712 nan 8.360 nan 0.000 0.419 598 R N 2.148 122.419 120.500 -0.380 0.000 2.690 598 R HA -0.138 4.201 4.340 -0.001 0.000 0.306 598 R C -1.258 174.838 176.300 -0.340 0.000 0.979 598 R CA 0.775 56.627 56.100 -0.414 0.000 0.761 598 R CB -2.135 27.734 30.300 -0.719 0.000 2.077 598 R HN 0.644 nan 8.270 nan 0.000 0.486 599 S N 0.391 115.953 115.700 -0.230 0.000 2.570 599 S HA 0.846 5.315 4.470 -0.001 0.000 0.270 599 S C -1.162 173.360 174.600 -0.130 0.000 1.149 599 S CA -1.212 56.886 58.200 -0.171 0.000 0.837 599 S CB 2.768 65.863 63.200 -0.175 0.000 1.124 599 S HN 0.304 nan 8.310 nan 0.000 0.465 600 L N 1.070 122.245 121.223 -0.081 0.000 2.464 600 L HA 0.732 5.071 4.340 -0.001 0.000 0.266 600 L C -1.854 174.996 176.870 -0.033 0.000 0.965 600 L CA -0.630 54.182 54.840 -0.047 0.000 0.833 600 L CB 1.626 43.697 42.059 0.019 0.000 1.296 600 L HN 0.903 nan 8.230 nan 0.000 0.405 601 I N 4.454 125.005 120.570 -0.032 0.000 2.406 601 I HA 0.831 5.001 4.170 -0.001 0.000 0.290 601 I C -0.334 175.797 176.117 0.022 0.000 0.999 601 I CA -0.472 60.821 61.300 -0.011 0.000 1.124 601 I CB 1.832 39.815 38.000 -0.028 0.000 1.289 601 I HN 0.795 nan 8.210 nan 0.000 0.441 602 A N 3.744 126.582 122.820 0.030 0.000 2.539 602 A HA 0.729 5.048 4.320 -0.001 0.000 0.296 602 A C 0.313 177.918 177.584 0.036 0.000 1.073 602 A CA -0.176 51.888 52.037 0.045 0.000 0.700 602 A CB 1.504 20.539 19.000 0.058 0.000 1.296 602 A HN 1.101 nan 8.150 nan 0.000 0.405 603 G N 0.541 109.363 108.800 0.037 0.000 2.366 603 G HA2 0.010 3.969 3.960 -0.001 0.000 0.299 603 G HA3 0.010 3.969 3.960 -0.001 0.000 0.299 603 G C 0.210 175.126 174.900 0.027 0.000 1.020 603 G CA 0.908 46.027 45.100 0.032 0.000 1.026 603 G HN 1.249 nan 8.290 nan 0.000 0.512 604 S N -1.400 114.313 115.700 0.022 0.000 2.697 604 S HA 0.941 5.410 4.470 -0.001 0.000 0.289 604 S C 0.115 174.723 174.600 0.013 0.000 1.149 604 S CA 0.120 58.331 58.200 0.017 0.000 0.850 604 S CB 2.340 65.547 63.200 0.012 0.000 1.151 604 S HN 1.611 nan 8.310 nan 0.000 0.491 605 S N -0.856 114.849 115.700 0.010 0.000 2.776 605 S HA 0.534 5.004 4.470 -0.001 0.000 0.292 605 S C -0.344 174.256 174.600 -0.000 0.000 1.187 605 S CA -0.328 57.875 58.200 0.006 0.000 0.834 605 S CB 0.261 63.466 63.200 0.009 0.000 1.199 605 S HN 0.919 nan 8.310 nan 0.000 0.514 606 T N 0.673 115.226 114.554 -0.003 0.000 2.654 606 T HA -0.105 4.245 4.350 -0.001 0.000 0.397 606 T C 0.228 174.919 174.700 -0.016 0.000 0.774 606 T CA 1.257 63.352 62.100 -0.009 0.000 3.569 606 T CB -2.080 66.783 68.868 -0.008 0.000 0.967 606 T HN 0.665 nan 8.240 nan 0.000 0.323 607 S N 0.717 116.407 115.700 -0.017 0.000 2.593 607 S HA 0.593 5.062 4.470 -0.001 0.000 0.297 607 S C -0.041 174.541 174.600 -0.030 0.000 1.112 607 S CA -0.990 57.196 58.200 -0.023 0.000 1.043 607 S CB 2.361 65.550 63.200 -0.018 0.000 1.054 607 S HN 0.606 nan 8.310 nan 0.000 0.516 608 E N 0.665 120.843 120.200 -0.036 0.000 2.275 608 E HA 0.621 4.970 4.350 -0.001 0.000 0.270 608 E C -1.529 175.042 176.600 -0.049 0.000 0.882 608 E CA -0.741 55.633 56.400 -0.043 0.000 0.758 608 E CB 1.467 31.142 29.700 -0.041 0.000 1.195 608 E HN 0.688 nan 8.360 nan 0.000 0.419 609 A N 3.790 126.574 122.820 -0.058 0.000 2.318 609 A HA 0.476 4.795 4.320 -0.001 0.000 0.324 609 A C -0.184 177.356 177.584 -0.074 0.000 1.170 609 A CA -0.609 51.388 52.037 -0.067 0.000 0.810 609 A CB 0.578 19.531 19.000 -0.078 0.000 1.198 609 A HN 0.713 nan 8.150 nan 0.000 0.484 610 K N 1.973 122.331 120.400 -0.070 0.000 2.582 610 K HA 0.323 4.642 4.320 -0.001 0.000 0.204 610 K C 0.735 177.294 176.600 -0.068 0.000 1.221 610 K CA 0.285 56.531 56.287 -0.068 0.000 1.048 610 K CB 0.583 33.050 32.500 -0.054 0.000 1.011 610 K HN 0.616 nan 8.250 nan 0.000 0.597 611 G N 1.153 109.909 108.800 -0.073 0.000 3.372 611 G HA2 0.387 4.347 3.960 -0.001 0.000 0.178 611 G HA3 0.387 4.347 3.960 -0.001 0.000 0.178 611 G C -0.360 174.479 174.900 -0.102 0.000 1.817 611 G CA 0.472 45.531 45.100 -0.068 0.000 0.996 611 G HN 0.290 nan 8.290 nan 0.000 0.559 612 T N -4.966 109.516 114.554 -0.120 0.000 2.868 612 T HA 0.413 4.762 4.350 -0.001 0.000 0.306 612 T C -0.605 173.949 174.700 -0.244 0.000 1.224 612 T CA -0.632 61.344 62.100 -0.207 0.000 1.012 612 T CB 1.369 70.150 68.868 -0.146 0.000 1.221 612 T HN 0.853 nan 8.240 nan 0.000 0.499 613 Y N -0.431 119.602 120.300 -0.446 0.000 3.305 613 Y HA -0.199 4.350 4.550 -0.001 0.000 0.212 613 Y C 0.226 175.919 175.900 -0.346 0.000 1.248 613 Y CA 0.059 57.844 58.100 -0.526 0.000 1.359 613 Y CB -2.117 35.636 38.460 -1.180 0.000 1.407 613 Y HN 0.657 nan 8.280 nan 0.000 0.572 614 N N 1.103 119.720 118.700 -0.137 0.000 2.438 614 N HA 0.460 5.199 4.740 -0.001 0.000 0.282 614 N C 0.120 175.595 175.510 -0.057 0.000 1.037 614 N CA 0.064 53.063 53.050 -0.084 0.000 0.942 614 N CB 1.628 40.061 38.487 -0.090 0.000 1.136 614 N HN 0.303 nan 8.380 nan 0.000 0.481 615 T N -0.958 113.583 114.554 -0.023 0.000 2.841 615 T HA 0.691 5.040 4.350 -0.001 0.000 0.283 615 T C 0.026 174.723 174.700 -0.004 0.000 1.000 615 T CA -0.715 61.380 62.100 -0.009 0.000 0.977 615 T CB 0.806 69.684 68.868 0.016 0.000 0.979 615 T HN 0.271 nan 8.240 nan 0.000 0.446 616 I N 3.234 123.801 120.570 -0.006 0.000 2.418 616 I HA 0.466 4.635 4.170 -0.001 0.000 0.287 616 I C -0.798 175.326 176.117 0.013 0.000 1.008 616 I CA -0.901 60.399 61.300 -0.000 0.000 1.104 616 I CB 1.610 39.603 38.000 -0.013 0.000 1.264 616 I HN 0.470 nan 8.210 nan 0.000 0.438 617 L N 5.186 126.423 121.223 0.022 0.000 2.385 617 L HA 0.562 4.902 4.340 -0.001 0.000 0.273 617 L C 0.734 177.624 176.870 0.034 0.000 0.990 617 L CA -0.820 54.039 54.840 0.031 0.000 0.821 617 L CB 2.000 44.082 42.059 0.038 0.000 1.279 617 L HN 0.843 nan 8.230 nan 0.000 0.412 618 G N 1.999 110.819 108.800 0.033 0.000 2.371 618 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.299 618 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.299 618 G C -0.064 174.858 174.900 0.036 0.000 1.014 618 G CA 0.527 45.648 45.100 0.036 0.000 1.097 618 G HN 0.483 nan 8.290 nan 0.000 0.512 619 S N -1.125 114.592 115.700 0.028 0.000 2.570 619 S HA 0.784 5.253 4.470 -0.001 0.000 0.286 619 S C -0.354 174.258 174.600 0.020 0.000 1.099 619 S CA -0.712 57.502 58.200 0.025 0.000 0.913 619 S CB 2.346 65.555 63.200 0.014 0.000 1.085 619 S HN 0.820 nan 8.310 nan 0.000 0.480 620 L N 1.749 122.984 121.223 0.021 0.000 2.385 620 L HA 0.688 5.027 4.340 -0.001 0.000 0.273 620 L C 0.530 177.401 176.870 0.003 0.000 0.990 620 L CA -0.038 54.813 54.840 0.018 0.000 0.821 620 L CB 1.167 43.247 42.059 0.035 0.000 1.279 620 L HN 0.918 nan 8.230 nan 0.000 0.412 621 G N 3.672 112.467 108.800 -0.008 0.000 2.371 621 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.299 621 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.299 621 G C -0.031 174.843 174.900 -0.043 0.000 1.014 621 G CA 0.425 45.510 45.100 -0.025 0.000 1.097 621 G HN 1.059 nan 8.290 nan 0.000 0.512 622 A N -0.544 122.254 122.820 -0.036 0.000 2.330 622 A HA 0.869 5.188 4.320 -0.001 0.000 0.327 622 A C -0.162 177.396 177.584 -0.044 0.000 1.155 622 A CA -0.501 51.510 52.037 -0.043 0.000 0.803 622 A CB 2.265 21.247 19.000 -0.029 0.000 1.208 622 A HN 1.177 nan 8.150 nan 0.000 0.477 623 V N 1.352 121.235 119.914 -0.052 0.000 2.540 623 V HA 0.705 4.824 4.120 -0.001 0.000 0.302 623 V C 0.198 176.263 176.094 -0.048 0.000 1.035 623 V CA -0.273 61.998 62.300 -0.049 0.000 0.873 623 V CB 1.633 33.426 31.823 -0.051 0.000 0.992 623 V HN 1.232 nan 8.190 nan 0.000 0.428 624 A N 3.163 125.955 122.820 -0.046 0.000 2.285 624 A HA 0.731 5.050 4.320 -0.001 0.000 0.310 624 A C -0.132 177.423 177.584 -0.048 0.000 1.266 624 A CA -0.474 51.536 52.037 -0.045 0.000 0.832 624 A CB 0.508 19.481 19.000 -0.044 0.000 1.163 624 A HN 0.889 nan 8.150 nan 0.000 0.499 625 D N 1.241 121.616 120.400 -0.042 0.000 2.650 625 D HA 0.324 4.963 4.640 -0.001 0.000 0.265 625 D C -0.144 176.138 176.300 -0.029 0.000 1.339 625 D CA -0.044 53.932 54.000 -0.039 0.000 0.816 625 D CB 0.460 41.238 40.800 -0.037 0.000 1.091 625 D HN 0.368 nan 8.370 nan 0.000 0.483 626 E N 0.576 120.760 120.200 -0.027 0.000 2.429 626 E HA 0.260 4.609 4.350 -0.001 0.000 0.276 626 E C -1.080 175.516 176.600 -0.008 0.000 0.953 626 E CA -0.754 55.641 56.400 -0.009 0.000 0.787 626 E CB 1.413 31.113 29.700 0.000 0.000 1.307 626 E HN 0.137 nan 8.360 nan 0.000 0.458 627 Q N 1.901 121.720 119.800 0.031 0.000 2.300 627 Q HA 0.253 4.592 4.340 -0.001 0.000 0.280 627 Q C -0.550 175.508 176.000 0.096 0.000 1.033 627 Q CA 0.059 55.889 55.803 0.044 0.000 0.903 627 Q CB 0.077 28.923 28.738 0.180 0.000 1.195 627 Q HN 0.634 nan 8.270 nan 0.000 0.386 628 F N -1.254 118.596 119.950 -0.168 0.000 2.935 628 F HA -0.316 4.210 4.527 -0.002 0.000 0.317 628 F C 0.667 176.335 175.800 -0.220 0.000 0.699 628 F CA 0.737 58.545 58.000 -0.320 0.000 1.127 628 F CB -1.906 36.527 39.000 -0.944 0.000 1.491 628 F HN 0.777 nan 8.300 nan 0.000 0.337 629 A N 0.446 123.260 122.820 -0.011 0.000 2.440 629 A HA 0.741 5.060 4.320 -0.001 0.000 0.251 629 A C 0.455 178.030 177.584 -0.016 0.000 1.089 629 A CA 0.529 52.555 52.037 -0.018 0.000 0.779 629 A CB 0.477 19.462 19.000 -0.025 0.000 1.022 629 A HN 1.255 nan 8.150 nan 0.000 0.492 630 A N 1.600 124.417 122.820 -0.005 0.000 2.572 630 A HA 0.736 5.056 4.320 -0.001 0.000 0.295 630 A C -1.423 176.165 177.584 0.006 0.000 1.072 630 A CA -0.500 51.539 52.037 0.003 0.000 0.691 630 A CB 1.093 20.108 19.000 0.024 0.000 1.291 630 A HN 0.898 nan 8.150 nan 0.000 0.404 631 L N 1.194 122.421 121.223 0.007 0.000 2.438 631 L HA 0.675 5.014 4.340 -0.001 0.000 0.270 631 L C -0.894 175.992 176.870 0.028 0.000 0.972 631 L CA 0.091 54.938 54.840 0.012 0.000 0.831 631 L CB 1.871 43.926 42.059 -0.006 0.000 1.273 631 L HN 0.612 nan 8.230 nan 0.000 0.405 632 I N 1.679 122.277 120.570 0.046 0.000 2.466 632 I HA 0.374 4.543 4.170 -0.001 0.000 0.289 632 I C 0.137 176.294 176.117 0.067 0.000 1.026 632 I CA -0.569 60.765 61.300 0.056 0.000 1.078 632 I CB 2.000 40.041 38.000 0.067 0.000 1.249 632 I HN 0.650 nan 8.210 nan 0.000 0.429 633 S N 3.357 119.094 115.700 0.061 0.000 3.631 633 S HA -0.171 4.298 4.470 -0.001 0.000 0.366 633 S C -0.076 174.571 174.600 0.077 0.000 0.993 633 S CA 0.762 59.005 58.200 0.071 0.000 1.167 633 S CB -0.932 62.318 63.200 0.084 0.000 0.909 633 S HN 0.846 nan 8.310 nan 0.000 0.478 634 A N 0.508 123.361 122.820 0.055 0.000 2.355 634 A HA 0.835 5.154 4.320 -0.001 0.000 0.324 634 A C 0.121 177.726 177.584 0.035 0.000 1.117 634 A CA -0.412 51.650 52.037 0.041 0.000 0.785 634 A CB 1.706 20.711 19.000 0.008 0.000 1.254 634 A HN 0.338 nan 8.150 nan 0.000 0.453 635 S N 1.275 116.999 115.700 0.041 0.000 2.500 635 S HA 0.473 4.942 4.470 -0.001 0.000 0.301 635 S C -0.733 173.812 174.600 -0.091 0.000 1.092 635 S CA -0.420 57.810 58.200 0.051 0.000 1.030 635 S CB 1.198 64.525 63.200 0.211 0.000 1.031 635 S HN 0.719 nan 8.310 nan 0.000 0.483 636 Q N 0.570 120.309 119.800 -0.101 0.000 2.431 636 Q HA -0.162 4.177 4.340 -0.001 0.000 0.344 636 Q C -0.639 175.204 176.000 -0.262 0.000 1.384 636 Q CA 0.640 56.321 55.803 -0.203 0.000 0.984 636 Q CB -1.924 26.624 28.738 -0.317 0.000 1.204 636 Q HN 0.491 nan 8.270 nan 0.000 0.392 637 S N -0.080 115.519 115.700 -0.169 0.000 2.569 637 S HA 0.763 5.232 4.470 -0.001 0.000 0.280 637 S C -0.536 173.996 174.600 -0.113 0.000 1.111 637 S CA -0.881 57.222 58.200 -0.161 0.000 0.887 637 S CB 2.720 65.836 63.200 -0.139 0.000 1.095 637 S HN 0.414 nan 8.310 nan 0.000 0.476 638 R N 1.316 121.752 120.500 -0.108 0.000 2.538 638 R HA 0.694 5.034 4.340 -0.001 0.000 0.292 638 R C -1.545 174.710 176.300 -0.074 0.000 1.008 638 R CA -0.547 55.504 56.100 -0.082 0.000 0.896 638 R CB 1.257 31.510 30.300 -0.077 0.000 1.187 638 R HN 0.688 nan 8.270 nan 0.000 0.440 639 A N 2.779 125.564 122.820 -0.059 0.000 2.256 639 A HA 0.417 4.737 4.320 -0.001 0.000 0.317 639 A C -0.141 177.418 177.584 -0.042 0.000 1.318 639 A CA -0.497 51.509 52.037 -0.051 0.000 0.894 639 A CB 1.412 20.387 19.000 -0.042 0.000 1.165 639 A HN 0.767 nan 8.150 nan 0.000 0.525 640 S N 1.557 117.234 115.700 -0.038 0.000 2.603 640 S HA 0.259 4.728 4.470 -0.001 0.000 0.232 640 S C 0.965 175.554 174.600 -0.017 0.000 1.016 640 S CA 0.325 58.508 58.200 -0.028 0.000 0.976 640 S CB 0.452 63.634 63.200 -0.029 0.000 0.921 640 S HN 1.020 nan 8.310 nan 0.000 0.516 641 G N 1.887 110.675 108.800 -0.020 0.000 2.476 641 G HA2 0.378 4.337 3.960 -0.001 0.000 0.286 641 G HA3 0.378 4.337 3.960 -0.001 0.000 0.286 641 G C -0.375 174.516 174.900 -0.015 0.000 1.177 641 G CA -0.530 44.563 45.100 -0.012 0.000 0.870 641 G HN 0.262 nan 8.290 nan 0.000 0.528 642 N N -0.297 118.396 118.700 -0.011 0.000 2.442 642 N HA 0.079 4.818 4.740 -0.001 0.000 0.265 642 N C 0.105 175.518 175.510 -0.162 0.000 1.138 642 N CA -0.040 52.999 53.050 -0.019 0.000 0.956 642 N CB -0.177 38.333 38.487 0.038 0.000 1.067 642 N HN 0.629 nan 8.380 nan 0.000 0.474 643 H N -0.101 118.786 119.070 -0.305 0.000 2.770 643 H HA -0.224 4.331 4.556 -0.001 0.000 0.309 643 H C -0.905 174.272 175.328 -0.253 0.000 1.206 643 H CA 0.883 56.683 56.048 -0.413 0.000 1.147 643 H CB -1.644 27.450 29.762 -1.113 0.000 1.422 643 H HN 0.585 nan 8.280 nan 0.000 0.420 644 N N 0.821 119.489 118.700 -0.052 0.000 2.424 644 N HA 0.433 5.173 4.740 -0.001 0.000 0.271 644 N C -1.155 174.353 175.510 -0.004 0.000 0.985 644 N CA -0.916 52.119 53.050 -0.024 0.000 0.921 644 N CB 0.924 39.394 38.487 -0.029 0.000 1.149 644 N HN 0.281 nan 8.380 nan 0.000 0.492 645 L N 4.664 125.898 121.223 0.019 0.000 2.341 645 L HA 0.657 4.996 4.340 -0.001 0.000 0.278 645 L C -1.146 175.738 176.870 0.024 0.000 1.005 645 L CA -0.507 54.355 54.840 0.037 0.000 0.818 645 L CB 1.072 43.177 42.059 0.076 0.000 1.259 645 L HN 0.551 nan 8.230 nan 0.000 0.418 646 I N 5.889 126.463 120.570 0.007 0.000 2.377 646 I HA 0.437 4.607 4.170 -0.001 0.000 0.293 646 I C -0.872 175.274 176.117 0.047 0.000 0.987 646 I CA -0.519 60.766 61.300 -0.025 0.000 1.185 646 I CB 1.493 39.456 38.000 -0.062 0.000 1.341 646 I HN 0.489 nan 8.210 nan 0.000 0.455 647 L N 4.810 126.092 121.223 0.099 0.000 2.386 647 L HA 0.423 4.762 4.340 -0.001 0.000 0.271 647 L C 0.267 177.270 176.870 0.221 0.000 0.993 647 L CA -0.787 54.172 54.840 0.200 0.000 0.819 647 L CB 1.872 44.130 42.059 0.330 0.000 1.294 647 L HN 0.607 nan 8.230 nan 0.000 0.414 648 S N 1.109 116.916 115.700 0.180 0.000 3.608 648 S HA -0.156 4.314 4.470 -0.001 0.000 0.382 648 S C -0.111 174.610 174.600 0.201 0.000 0.945 648 S CA 0.617 58.933 58.200 0.194 0.000 1.256 648 S CB -0.967 62.372 63.200 0.233 0.000 0.913 648 S HN 0.687 nan 8.310 nan 0.000 0.518 649 S N 0.371 116.155 115.700 0.139 0.000 2.569 649 S HA 0.746 5.215 4.470 -0.001 0.000 0.280 649 S C -1.004 173.656 174.600 0.100 0.000 1.111 649 S CA -0.736 57.524 58.200 0.101 0.000 0.887 649 S CB 1.786 64.974 63.200 -0.019 0.000 1.095 649 S HN 0.494 nan 8.310 nan 0.000 0.476 650 Y N 0.593 120.825 120.300 -0.113 0.000 2.391 650 Y HA 0.523 5.073 4.550 -0.001 0.000 0.341 650 Y C 0.503 176.191 175.900 -0.354 0.000 0.965 650 Y CA 0.113 58.032 58.100 -0.301 0.000 1.067 650 Y CB 1.309 39.419 38.460 -0.583 0.000 1.199 650 Y HN 0.942 nan 8.280 nan 0.000 0.450 651 G N 5.942 114.083 108.800 -1.097 0.000 2.338 651 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.296 651 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.296 651 G C -0.442 174.189 174.900 -0.448 0.000 1.040 651 G CA 0.708 45.251 45.100 -0.929 0.000 1.004 651 G HN 1.160 nan 8.290 nan 0.000 0.509 652 I N -3.090 117.294 120.570 -0.311 0.000 2.569 652 I HA 0.713 4.882 4.170 -0.001 0.000 0.296 652 I C -0.661 175.357 176.117 -0.164 0.000 1.028 652 I CA -1.491 59.686 61.300 -0.204 0.000 1.082 652 I CB 2.118 40.012 38.000 -0.177 0.000 1.264 652 I HN -0.080 nan 8.210 nan 0.000 0.429 653 N N 3.551 122.172 118.700 -0.131 0.000 2.392 653 N HA 0.504 5.243 4.740 -0.001 0.000 0.283 653 N C -0.995 174.462 175.510 -0.089 0.000 1.003 653 N CA -0.388 52.600 53.050 -0.103 0.000 0.892 653 N CB 2.341 40.775 38.487 -0.088 0.000 1.193 653 N HN 0.702 nan 8.380 nan 0.000 0.487 654 T N 0.062 114.568 114.554 -0.080 0.000 2.900 654 T HA 0.493 4.843 4.350 -0.001 0.000 0.295 654 T C 0.480 175.150 174.700 -0.051 0.000 1.044 654 T CA -0.133 61.922 62.100 -0.073 0.000 0.995 654 T CB 2.030 70.842 68.868 -0.093 0.000 1.072 654 T HN 0.404 nan 8.240 nan 0.000 0.473 655 T N 1.038 115.569 114.554 -0.039 0.000 3.074 655 T HA 0.301 4.650 4.350 -0.001 0.000 0.258 655 T C 0.925 175.620 174.700 -0.009 0.000 0.891 655 T CA 0.229 62.315 62.100 -0.023 0.000 0.867 655 T CB 0.073 68.928 68.868 -0.021 0.000 1.261 655 T HN 0.751 nan 8.240 nan 0.000 0.537 656 G N 2.254 111.050 108.800 -0.007 0.000 2.554 656 G HA2 0.396 4.355 3.960 -0.001 0.000 0.238 656 G HA3 0.396 4.355 3.960 -0.001 0.000 0.238 656 G C -0.029 174.885 174.900 0.024 0.000 1.259 656 G CA -0.154 44.955 45.100 0.014 0.000 0.843 656 G HN 0.426 nan 8.290 nan 0.000 0.582 657 S N 0.127 115.862 115.700 0.057 0.000 2.508 657 S HA 0.400 4.870 4.470 -0.001 0.000 0.284 657 S C -0.447 174.258 174.600 0.174 0.000 1.192 657 S CA -0.715 57.531 58.200 0.077 0.000 1.070 657 S CB 0.744 64.028 63.200 0.140 0.000 1.004 657 S HN 0.761 nan 8.310 nan 0.000 0.493 658 Y N -0.645 119.656 120.300 0.002 0.000 3.234 658 Y HA -0.187 4.362 4.550 -0.001 0.000 0.207 658 Y C 0.181 176.083 175.900 0.003 0.000 1.316 658 Y CA 0.436 58.521 58.100 -0.025 0.000 1.309 658 Y CB -1.734 36.649 38.460 -0.128 0.000 1.408 658 Y HN 0.582 nan 8.280 nan 0.000 0.544 659 K N 0.235 120.686 120.400 0.086 0.000 2.259 659 K HA 0.784 5.104 4.320 -0.001 0.000 0.252 659 K C -0.296 176.355 176.600 0.085 0.000 0.936 659 K CA -1.020 55.317 56.287 0.083 0.000 0.810 659 K CB 2.652 35.181 32.500 0.049 0.000 1.143 659 K HN -0.064 nan 8.250 nan 0.000 0.427 660 V N 2.973 122.972 119.914 0.142 0.000 2.435 660 V HA 0.383 4.502 4.120 -0.001 0.000 0.290 660 V C -0.135 176.036 176.094 0.129 0.000 1.030 660 V CA -0.858 61.560 62.300 0.197 0.000 0.881 660 V CB 1.363 33.380 31.823 0.323 0.000 0.983 660 V HN 0.671 nan 8.190 nan 0.000 0.445 661 N N 2.476 121.071 118.700 -0.175 0.000 2.229 661 N HA 0.725 5.464 4.740 -0.001 0.000 0.298 661 N C -0.385 174.382 175.510 -1.238 0.000 1.114 661 N CA -0.328 52.315 53.050 -0.678 0.000 0.776 661 N CB 2.924 41.198 38.487 -0.354 0.000 1.501 661 N HN 0.858 nan 8.380 nan 0.000 0.474 662 G N -0.943 106.643 108.800 -2.023 0.000 2.612 662 G HA2 0.783 4.742 3.960 -0.001 0.000 0.298 662 G HA3 0.783 4.742 3.960 -0.001 0.000 0.298 662 G C -0.893 173.547 174.900 -0.767 0.000 1.336 662 G CA -0.679 43.610 45.100 -1.351 0.000 0.953 662 G HN 0.669 nan 8.290 nan 0.000 0.482 663 G N -1.203 107.439 108.800 -0.264 0.000 2.466 663 G HA2 0.531 4.491 3.960 -0.001 0.000 0.291 663 G HA3 0.531 4.491 3.960 -0.001 0.000 0.291 663 G C -2.220 172.758 174.900 0.130 0.000 1.460 663 G CA -0.690 44.372 45.100 -0.064 0.000 0.791 663 G HN 0.799 nan 8.290 nan 0.000 0.505 664 F N 0.897 120.873 119.950 0.043 0.000 2.500 664 F HA 0.512 5.038 4.527 -0.001 0.000 0.349 664 F C 1.054 176.923 175.800 0.114 0.000 1.127 664 F CA -0.061 58.022 58.000 0.137 0.000 0.998 664 F CB 1.329 40.410 39.000 0.135 0.000 1.237 664 F HN 0.903 nan 8.300 nan 0.000 0.439 665 E N 1.391 121.551 120.200 -0.066 0.000 5.150 665 E HA -0.326 4.023 4.350 -0.001 0.000 0.167 665 E C -0.419 176.157 176.600 -0.039 0.000 1.196 665 E CA 1.806 58.172 56.400 -0.055 0.000 2.189 665 E CB -0.505 29.251 29.700 0.094 0.000 1.820 665 E HN 0.524 nan 8.360 nan 0.000 0.420 666 K N 0.217 120.627 120.400 0.017 0.000 2.385 666 K HA 0.555 4.874 4.320 -0.001 0.000 0.248 666 K C -0.603 175.980 176.600 -0.028 0.000 0.955 666 K CA -0.734 55.548 56.287 -0.007 0.000 0.816 666 K CB 1.697 34.212 32.500 0.025 0.000 1.250 666 K HN -0.036 nan 8.250 nan 0.000 0.434 667 I N 2.204 122.734 120.570 -0.066 0.000 2.668 667 I HA -0.099 4.071 4.170 -0.001 0.000 0.285 667 I C 0.646 176.719 176.117 -0.074 0.000 1.168 667 I CA 0.673 61.903 61.300 -0.118 0.000 1.424 667 I CB 0.148 38.076 38.000 -0.121 0.000 1.377 667 I HN 0.679 nan 8.210 nan 0.000 0.560 668 N N 5.893 124.525 118.700 -0.114 0.000 2.397 668 N HA 0.144 4.884 4.740 -0.001 0.000 0.190 668 N C -0.680 174.908 175.510 0.130 0.000 1.099 668 N CA -0.185 52.878 53.050 0.023 0.000 0.876 668 N CB 0.525 39.074 38.487 0.104 0.000 1.143 668 N HN 0.643 nan 8.380 nan 0.000 0.468 669 W N 0.890 122.224 121.300 0.057 0.000 3.107 669 W HA 0.601 5.261 4.660 -0.001 0.000 0.331 669 W C -1.646 174.901 176.519 0.048 0.000 1.204 669 W CA -0.630 56.747 57.345 0.053 0.000 1.184 669 W CB 0.890 30.384 29.460 0.057 0.000 1.421 669 W HN -0.259 nan 8.180 nan 0.000 0.544 670 E N 2.349 122.809 120.200 0.434 0.000 2.278 670 E HA 0.472 4.821 4.350 -0.001 0.000 0.272 670 E C -1.915 174.898 176.600 0.354 0.000 0.890 670 E CA -0.700 55.885 56.400 0.308 0.000 0.770 670 E CB 2.229 32.002 29.700 0.122 0.000 1.212 670 E HN 0.574 nan 8.360 nan 0.000 0.415 671 L N 4.131 125.575 121.223 0.367 0.000 2.264 671 L HA 0.342 4.681 4.340 -0.001 0.000 0.287 671 L C -0.447 176.519 176.870 0.160 0.000 1.039 671 L CA -0.862 54.115 54.840 0.229 0.000 0.829 671 L CB 0.967 43.154 42.059 0.213 0.000 1.211 671 L HN 0.557 nan 8.230 nan 0.000 0.427 672 D N 1.402 121.870 120.400 0.114 0.000 2.393 672 D HA 0.118 4.757 4.640 -0.001 0.000 0.232 672 D C 0.870 177.201 176.300 0.051 0.000 1.192 672 D CA -0.047 54.002 54.000 0.081 0.000 0.882 672 D CB 1.347 42.182 40.800 0.059 0.000 1.038 672 D HN 0.324 nan 8.370 nan 0.000 0.499 673 S N 3.226 118.964 115.700 0.064 0.000 2.453 673 S HA -0.055 4.414 4.470 -0.001 0.000 0.231 673 S C 1.768 176.321 174.600 -0.079 0.000 1.005 673 S CA 0.034 58.242 58.200 0.014 0.000 0.949 673 S CB -0.022 63.221 63.200 0.071 0.000 0.774 673 S HN 0.591 nan 8.310 nan 0.000 0.510 674 L N 1.604 122.789 121.223 -0.063 0.000 2.023 674 L HA -0.037 4.302 4.340 -0.001 0.000 0.205 674 L C 1.537 178.340 176.870 -0.112 0.000 1.073 674 L CA 1.221 55.961 54.840 -0.165 0.000 0.745 674 L CB -0.186 41.819 42.059 -0.089 0.000 0.900 674 L HN 0.312 nan 8.230 nan 0.000 0.435 675 N N -0.612 118.057 118.700 -0.052 0.000 2.282 675 N HA 0.060 4.799 4.740 -0.001 0.000 0.185 675 N C 0.841 176.328 175.510 -0.038 0.000 1.099 675 N CA 0.937 53.965 53.050 -0.036 0.000 0.878 675 N CB 0.864 39.334 38.487 -0.028 0.000 0.993 675 N HN 0.393 nan 8.380 nan 0.000 0.481 676 G N 1.832 110.604 108.800 -0.047 0.000 2.291 676 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.271 676 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.271 676 G C -0.320 174.584 174.900 0.006 0.000 1.099 676 G CA -0.247 44.823 45.100 -0.051 0.000 0.919 676 G HN 0.270 nan 8.290 nan 0.000 0.496 677 R N -0.938 119.579 120.500 0.030 0.000 2.637 677 R HA 0.746 5.086 4.340 -0.001 0.000 0.291 677 R C 0.132 176.480 176.300 0.081 0.000 0.963 677 R CA -0.840 55.292 56.100 0.054 0.000 0.901 677 R CB 1.637 31.963 30.300 0.044 0.000 1.160 677 R HN 0.262 nan 8.270 nan 0.000 0.457 678 I N 2.431 123.058 120.570 0.095 0.000 2.406 678 I HA 0.364 4.533 4.170 -0.001 0.000 0.290 678 I C -0.524 175.665 176.117 0.120 0.000 0.999 678 I CA -0.665 60.705 61.300 0.117 0.000 1.124 678 I CB 1.787 39.855 38.000 0.112 0.000 1.289 678 I HN 0.333 nan 8.210 nan 0.000 0.441 679 K N 4.967 125.456 120.400 0.148 0.000 2.397 679 K HA 0.816 5.135 4.320 -0.001 0.000 0.253 679 K C -1.093 175.617 176.600 0.184 0.000 0.932 679 K CA -0.506 55.864 56.287 0.138 0.000 0.795 679 K CB 2.567 35.133 32.500 0.110 0.000 1.159 679 K HN 0.668 nan 8.250 nan 0.000 0.424 680 A N 2.171 125.083 122.820 0.153 0.000 2.355 680 A HA 0.384 4.703 4.320 -0.001 0.000 0.317 680 A C 0.571 178.231 177.584 0.126 0.000 1.094 680 A CA -0.691 51.449 52.037 0.172 0.000 0.764 680 A CB 1.346 20.440 19.000 0.155 0.000 1.230 680 A HN 0.932 nan 8.150 nan 0.000 0.448 681 R N 0.691 121.267 120.500 0.127 0.000 2.075 681 R HA -0.120 4.220 4.340 -0.001 0.000 0.232 681 R C 0.683 177.032 176.300 0.081 0.000 1.126 681 R CA 2.217 58.371 56.100 0.089 0.000 0.963 681 R CB 0.014 30.364 30.300 0.082 0.000 0.858 681 R HN 0.916 nan 8.270 nan 0.000 0.435 682 D N -0.930 119.526 120.400 0.094 0.000 2.772 682 D HA 0.031 4.670 4.640 -0.001 0.000 0.255 682 D C -0.364 175.986 176.300 0.083 0.000 1.206 682 D CA 0.584 54.632 54.000 0.080 0.000 1.126 682 D CB 0.391 41.237 40.800 0.077 0.000 1.012 682 D HN 0.121 nan 8.370 nan 0.000 0.322 683 T N -1.134 113.473 114.554 0.088 0.000 2.928 683 T HA 0.612 4.961 4.350 -0.001 0.000 0.284 683 T C -0.194 174.579 174.700 0.122 0.000 1.008 683 T CA -0.826 61.334 62.100 0.099 0.000 1.057 683 T CB 1.328 70.255 68.868 0.098 0.000 1.018 683 T HN 0.024 nan 8.240 nan 0.000 0.493 684 V N 2.961 122.969 119.914 0.157 0.000 2.417 684 V HA 0.660 4.780 4.120 -0.001 0.000 0.291 684 V C 0.590 176.895 176.094 0.351 0.000 1.024 684 V CA -0.709 61.726 62.300 0.225 0.000 0.861 684 V CB 1.337 33.317 31.823 0.262 0.000 0.985 684 V HN 1.280 nan 8.190 nan 0.000 0.436 685 T N 1.354 116.049 114.554 0.235 0.000 2.887 685 T HA 0.908 5.257 4.350 -0.001 0.000 0.288 685 T C -0.168 174.478 174.700 -0.090 0.000 1.021 685 T CA -0.459 61.739 62.100 0.164 0.000 1.000 685 T CB 2.082 70.995 68.868 0.075 0.000 1.034 685 T HN 1.057 nan 8.240 nan 0.000 0.467 686 G N -0.825 107.750 108.800 -0.375 0.000 2.690 686 G HA2 0.819 4.778 3.960 -0.001 0.000 0.293 686 G HA3 0.819 4.778 3.960 -0.001 0.000 0.293 686 G C 0.014 174.673 174.900 -0.402 0.000 1.399 686 G CA -0.149 44.663 45.100 -0.480 0.000 0.890 686 G HN 1.771 nan 8.290 nan 0.000 0.485 687 G N 0.034 108.660 108.800 -0.290 0.000 2.660 687 G HA2 0.327 4.287 3.960 -0.001 0.000 0.247 687 G HA3 0.327 4.287 3.960 -0.001 0.000 0.247 687 G C -0.522 174.274 174.900 -0.173 0.000 1.328 687 G CA 0.104 45.064 45.100 -0.232 0.000 0.884 687 G HN 2.097 nan 8.290 nan 0.000 0.531 688 N N -2.088 116.512 118.700 -0.167 0.000 2.405 688 N HA 0.725 5.465 4.740 -0.001 0.000 0.285 688 N C 0.985 176.379 175.510 -0.194 0.000 1.262 688 N CA 0.466 53.413 53.050 -0.172 0.000 0.773 688 N CB 1.250 39.623 38.487 -0.189 0.000 1.490 688 N HN 1.079 nan 8.380 nan 0.000 0.486 689 T N -1.011 113.415 114.554 -0.214 0.000 2.034 689 T HA -0.308 4.041 4.350 -0.001 0.000 0.116 689 T C 0.066 174.713 174.700 -0.087 0.000 1.803 689 T CA 2.672 64.630 62.100 -0.236 0.000 0.811 689 T CB -1.485 67.080 68.868 -0.505 0.000 0.788 689 T HN 0.824 nan 8.240 nan 0.000 0.415 690 W N 1.969 123.247 121.300 -0.037 0.000 2.349 690 W HA 0.841 5.500 4.660 -0.001 0.000 0.309 690 W C -0.280 176.204 176.519 -0.059 0.000 1.083 690 W CA -0.876 56.446 57.345 -0.039 0.000 1.224 690 W CB 0.940 30.385 29.460 -0.025 0.000 1.256 690 W HN 0.364 nan 8.180 nan 0.000 0.461 691 S N 2.081 117.863 115.700 0.137 0.000 2.704 691 S HA 0.672 5.141 4.470 -0.001 0.000 0.296 691 S C -1.239 173.347 174.600 -0.023 0.000 1.138 691 S CA -0.735 57.464 58.200 -0.001 0.000 0.875 691 S CB 1.274 64.411 63.200 -0.106 0.000 1.151 691 S HN 0.656 nan 8.310 nan 0.000 0.500 692 D N 0.089 120.429 120.400 -0.100 0.000 2.599 692 D HA 0.301 4.940 4.640 -0.001 0.000 0.252 692 D C -1.537 174.670 176.300 -0.155 0.000 1.232 692 D CA -0.460 53.490 54.000 -0.083 0.000 0.819 692 D CB 0.428 41.246 40.800 0.031 0.000 1.401 692 D HN 0.374 nan 8.370 nan 0.000 0.429 693 F N 0.523 120.559 119.950 0.144 0.000 2.411 693 F HA 0.605 5.131 4.527 -0.001 0.000 0.350 693 F C 0.863 176.739 175.800 0.127 0.000 1.114 693 F CA -0.216 57.887 58.000 0.171 0.000 1.135 693 F CB 1.654 40.733 39.000 0.131 0.000 1.120 693 F HN 0.551 nan 8.300 nan 0.000 0.495 694 A N 2.882 125.870 122.820 0.280 0.000 2.485 694 A HA 0.839 5.158 4.320 -0.001 0.000 0.292 694 A C -1.323 176.384 177.584 0.205 0.000 1.147 694 A CA -0.669 51.487 52.037 0.199 0.000 0.750 694 A CB 2.000 21.061 19.000 0.100 0.000 1.331 694 A HN 0.720 nan 8.150 nan 0.000 0.419 695 E N -0.588 119.743 120.200 0.218 0.000 2.343 695 E HA 0.496 4.845 4.350 -0.001 0.000 0.278 695 E C -1.998 174.721 176.600 0.197 0.000 0.910 695 E CA -0.514 56.001 56.400 0.191 0.000 0.757 695 E CB 1.357 31.148 29.700 0.152 0.000 1.218 695 E HN 0.560 nan 8.360 nan 0.000 0.435 696 Y N 2.422 122.799 120.300 0.128 0.000 2.465 696 Y HA 0.237 4.786 4.550 -0.001 0.000 0.331 696 Y C -0.401 175.632 175.900 0.222 0.000 1.102 696 Y CA 0.697 58.955 58.100 0.263 0.000 1.358 696 Y CB 0.420 39.004 38.460 0.207 0.000 1.213 696 Y HN 0.333 nan 8.280 nan 0.000 0.525 697 F N 1.359 121.620 119.950 0.519 0.000 2.561 697 F HA 0.357 4.884 4.527 -0.001 0.000 0.321 697 F C -0.073 175.764 175.800 0.061 0.000 1.065 697 F CA -1.217 56.963 58.000 0.300 0.000 0.934 697 F CB 1.675 40.755 39.000 0.133 0.000 1.215 697 F HN 0.325 nan 8.300 nan 0.000 0.471 698 E N 0.906 120.975 120.200 -0.217 0.000 2.191 698 E HA 0.407 4.757 4.350 -0.001 0.000 0.278 698 E C -0.966 175.487 176.600 -0.244 0.000 0.972 698 E CA -0.620 55.380 56.400 -0.666 0.000 0.804 698 E CB 1.285 30.261 29.700 -1.207 0.000 1.110 698 E HN 0.629 nan 8.360 nan 0.000 0.394 699 S N 3.886 119.479 115.700 -0.178 0.000 2.545 699 S HA 0.191 4.661 4.470 -0.001 0.000 0.275 699 S C 0.049 174.573 174.600 -0.126 0.000 1.299 699 S CA -0.943 57.162 58.200 -0.158 0.000 1.048 699 S CB 0.896 63.993 63.200 -0.171 0.000 0.938 699 S HN 0.517 nan 8.310 nan 0.000 0.496 700 L N 4.098 125.256 121.223 -0.108 0.000 2.513 700 L HA 0.459 4.798 4.340 -0.001 0.000 0.272 700 L C 1.347 178.178 176.870 -0.064 0.000 1.187 700 L CA 1.982 56.776 54.840 -0.077 0.000 0.895 700 L CB -0.467 41.552 42.059 -0.067 0.000 1.147 700 L HN 1.213 nan 8.230 nan 0.000 0.483 701 G N 2.811 111.583 108.800 -0.047 0.000 2.212 701 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.266 701 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.266 701 G C 1.112 175.997 174.900 -0.024 0.000 0.978 701 G CA 0.452 45.533 45.100 -0.032 0.000 0.632 701 G HN 2.111 nan 8.290 nan 0.000 0.537 702 G N -1.037 107.745 108.800 -0.031 0.000 2.137 702 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.237 702 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.237 702 G C 0.339 175.255 174.900 0.026 0.000 1.002 702 G CA 1.212 46.310 45.100 -0.005 0.000 0.702 702 G HN 1.634 nan 8.290 nan 0.000 0.515 703 Q N -0.525 119.277 119.800 0.005 0.000 2.454 703 Q HA 0.531 4.871 4.340 -0.001 0.000 0.247 703 Q C 0.353 176.412 176.000 0.099 0.000 1.028 703 Q CA -0.336 55.475 55.803 0.012 0.000 0.910 703 Q CB 1.260 29.969 28.738 -0.049 0.000 1.276 703 Q HN 0.284 nan 8.270 nan 0.000 0.489 704 V N 2.387 122.365 119.914 0.107 0.000 2.432 704 V HA 0.315 4.435 4.120 -0.001 0.000 0.275 704 V C -0.091 176.087 176.094 0.140 0.000 1.043 704 V CA -0.475 61.965 62.300 0.232 0.000 0.925 704 V CB 0.369 32.275 31.823 0.138 0.000 0.985 704 V HN 0.573 nan 8.190 nan 0.000 0.466 705 I N 3.669 124.367 120.570 0.212 0.000 2.355 705 I HA 0.416 4.585 4.170 -0.001 0.000 0.288 705 I C 0.172 176.395 176.117 0.177 0.000 0.999 705 I CA -0.661 60.627 61.300 -0.020 0.000 1.163 705 I CB 1.481 39.323 38.000 -0.263 0.000 1.316 705 I HN 0.530 nan 8.210 nan 0.000 0.454 706 E N 3.179 123.502 120.200 0.205 0.000 2.408 706 E HA 0.108 4.457 4.350 -0.001 0.000 0.259 706 E C 0.373 177.125 176.600 0.254 0.000 1.110 706 E CA -0.038 56.512 56.400 0.250 0.000 0.929 706 E CB 0.499 30.352 29.700 0.255 0.000 0.971 706 E HN 0.653 nan 8.360 nan 0.000 0.438 707 T N -0.526 114.104 114.554 0.127 0.000 2.930 707 T HA 0.369 4.718 4.350 -0.001 0.000 0.306 707 T C 1.092 175.769 174.700 -0.038 0.000 1.045 707 T CA 0.195 62.335 62.100 0.067 0.000 1.134 707 T CB 0.542 69.441 68.868 0.051 0.000 0.961 707 T HN 0.778 nan 8.240 nan 0.000 0.545 708 G N 1.495 110.263 108.800 -0.053 0.000 2.194 708 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.236 708 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.236 708 G C -0.087 174.677 174.900 -0.227 0.000 0.987 708 G CA -0.045 44.958 45.100 -0.163 0.000 0.635 708 G HN 0.859 nan 8.290 nan 0.000 0.520 709 Y N 0.332 120.592 120.300 -0.066 0.000 2.304 709 Y HA 0.602 5.151 4.550 -0.001 0.000 0.328 709 Y C 1.191 177.057 175.900 -0.056 0.000 1.123 709 Y CA -0.811 57.248 58.100 -0.068 0.000 1.218 709 Y CB 0.941 39.355 38.460 -0.077 0.000 1.207 709 Y HN 0.094 nan 8.280 nan 0.000 0.495 710 L N 5.274 126.585 121.223 0.147 0.000 2.313 710 L HA 0.342 4.682 4.340 -0.001 0.000 0.282 710 L C -0.295 176.600 176.870 0.042 0.000 1.092 710 L CA -0.644 54.243 54.840 0.079 0.000 0.831 710 L CB 0.172 42.289 42.059 0.097 0.000 1.159 710 L HN 0.391 nan 8.230 nan 0.000 0.442 711 V N -0.008 119.895 119.914 -0.019 0.000 2.732 711 V HA 0.781 4.900 4.120 -0.001 0.000 0.310 711 V C -0.131 175.908 176.094 -0.091 0.000 1.053 711 V CA -0.403 61.847 62.300 -0.083 0.000 0.957 711 V CB 1.713 33.443 31.823 -0.156 0.000 1.018 711 V HN 0.734 nan 8.190 nan 0.000 0.452 712 T N 2.070 116.565 114.554 -0.097 0.000 2.773 712 T HA 0.747 5.096 4.350 -0.001 0.000 0.278 712 T C -1.032 173.610 174.700 -0.098 0.000 1.011 712 T CA -0.712 61.339 62.100 -0.082 0.000 1.014 712 T CB 1.497 70.337 68.868 -0.045 0.000 1.293 712 T HN 0.718 nan 8.240 nan 0.000 0.554 713 L N 1.626 122.814 121.223 -0.059 0.000 2.346 713 L HA 0.700 5.039 4.340 -0.001 0.000 0.274 713 L C -0.341 176.518 176.870 -0.018 0.000 1.007 713 L CA -0.574 54.247 54.840 -0.032 0.000 0.818 713 L CB 1.840 43.905 42.059 0.009 0.000 1.284 713 L HN 0.667 nan 8.230 nan 0.000 0.424 714 E N 2.959 123.150 120.200 -0.014 0.000 2.307 714 E HA 0.209 4.558 4.350 -0.001 0.000 0.280 714 E C -1.112 175.485 176.600 -0.004 0.000 0.900 714 E CA -0.600 55.794 56.400 -0.011 0.000 0.790 714 E CB 1.215 30.901 29.700 -0.023 0.000 1.261 714 E HN 0.488 nan 8.360 nan 0.000 0.405 715 K N 2.502 122.905 120.400 0.006 0.000 3.077 715 K HA -0.261 4.058 4.320 -0.001 0.000 0.264 715 K C 0.576 177.188 176.600 0.020 0.000 1.008 715 K CA 0.783 57.076 56.287 0.011 0.000 0.740 715 K CB -1.512 30.990 32.500 0.003 0.000 1.273 715 K HN 1.022 nan 8.250 nan 0.000 0.477 716 G N -0.333 108.489 108.800 0.037 0.000 2.168 716 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.263 716 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.263 716 G C -0.118 174.824 174.900 0.069 0.000 0.977 716 G CA 1.104 46.242 45.100 0.064 0.000 0.659 716 G HN 0.383 nan 8.290 nan 0.000 0.533 717 K N -0.295 120.124 120.400 0.032 0.000 2.385 717 K HA 0.663 4.982 4.320 -0.001 0.000 0.248 717 K C 0.453 177.040 176.600 -0.021 0.000 0.955 717 K CA -1.031 55.257 56.287 0.002 0.000 0.816 717 K CB 1.952 34.421 32.500 -0.051 0.000 1.250 717 K HN 0.371 nan 8.250 nan 0.000 0.434 718 I N -0.425 120.116 120.570 -0.048 0.000 2.472 718 I HA 0.474 4.643 4.170 -0.001 0.000 0.290 718 I C -0.181 175.847 176.117 -0.148 0.000 1.016 718 I CA -0.445 60.784 61.300 -0.118 0.000 1.348 718 I CB 0.799 38.694 38.000 -0.176 0.000 1.417 718 I HN 0.599 nan 8.210 nan 0.000 0.521 719 R N 3.145 123.562 120.500 -0.139 0.000 2.817 719 R HA 0.555 4.894 4.340 -0.001 0.000 0.268 719 R C -1.246 174.972 176.300 -0.137 0.000 1.027 719 R CA -1.228 54.784 56.100 -0.146 0.000 0.928 719 R CB 0.994 31.228 30.300 -0.110 0.000 1.228 719 R HN 0.469 nan 8.270 nan 0.000 0.469 720 K N 0.821 121.129 120.400 -0.154 0.000 2.484 720 K HA 0.148 4.467 4.320 -0.001 0.000 0.280 720 K C -0.023 176.538 176.600 -0.064 0.000 1.013 720 K CA 0.388 56.602 56.287 -0.122 0.000 1.029 720 K CB 0.653 33.042 32.500 -0.186 0.000 0.902 720 K HN 0.627 nan 8.250 nan 0.000 0.481 721 A N 3.802 126.608 122.820 -0.024 0.000 2.440 721 A HA 0.103 4.422 4.320 -0.001 0.000 0.251 721 A C -0.006 177.577 177.584 -0.002 0.000 1.089 721 A CA -0.312 51.719 52.037 -0.011 0.000 0.779 721 A CB 0.355 19.361 19.000 0.011 0.000 1.022 721 A HN 0.624 nan 8.150 nan 0.000 0.492 722 E N 1.036 121.230 120.200 -0.009 0.000 2.285 722 E HA 0.281 4.630 4.350 -0.001 0.000 0.254 722 E C -0.387 176.209 176.600 -0.006 0.000 1.011 722 E CA -1.015 55.381 56.400 -0.006 0.000 0.873 722 E CB 0.618 30.310 29.700 -0.013 0.000 1.229 722 E HN 0.637 nan 8.360 nan 0.000 0.422 723 K N -0.013 120.383 120.400 -0.006 0.000 2.484 723 K HA 0.063 4.382 4.320 -0.001 0.000 0.280 723 K C 0.845 177.436 176.600 -0.015 0.000 1.013 723 K CA 1.262 57.543 56.287 -0.010 0.000 1.029 723 K CB -0.108 32.387 32.500 -0.009 0.000 0.902 723 K HN 0.701 nan 8.250 nan 0.000 0.481 724 G N 2.782 111.570 108.800 -0.020 0.000 2.220 724 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.269 724 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.269 724 G C -0.113 174.773 174.900 -0.023 0.000 0.977 724 G CA 0.590 45.676 45.100 -0.023 0.000 0.634 724 G HN 0.700 nan 8.290 nan 0.000 0.539 725 E N 0.500 120.688 120.200 -0.019 0.000 2.349 725 E HA 0.413 4.762 4.350 -0.001 0.000 0.262 725 E C 0.257 176.846 176.600 -0.019 0.000 1.088 725 E CA -0.545 55.845 56.400 -0.017 0.000 0.899 725 E CB 0.717 30.408 29.700 -0.015 0.000 1.044 725 E HN 0.135 nan 8.360 nan 0.000 0.420 726 K N 2.003 122.395 120.400 -0.014 0.000 2.349 726 K HA 0.191 4.510 4.320 -0.001 0.000 0.288 726 K C -0.326 176.280 176.600 0.009 0.000 1.058 726 K CA -0.095 56.187 56.287 -0.008 0.000 0.953 726 K CB 0.358 32.858 32.500 0.000 0.000 0.997 726 K HN 0.350 nan 8.250 nan 0.000 0.477 727 I N 5.473 126.066 120.570 0.038 0.000 2.337 727 I HA 0.006 4.176 4.170 -0.001 0.000 0.291 727 I C 1.415 177.619 176.117 0.145 0.000 1.046 727 I CA -0.070 61.295 61.300 0.109 0.000 1.324 727 I CB 0.597 38.734 38.000 0.228 0.000 1.409 727 I HN 0.597 nan 8.210 nan 0.000 0.494 728 I N 2.861 123.453 120.570 0.037 0.000 3.783 728 I HA 0.603 4.772 4.170 -0.001 0.000 0.310 728 I C 0.839 176.930 176.117 -0.044 0.000 1.274 728 I CA 0.245 61.537 61.300 -0.013 0.000 1.294 728 I CB -0.010 37.909 38.000 -0.135 0.000 1.051 728 I HN 0.622 nan 8.210 nan 0.000 0.435 729 G N -0.045 108.727 108.800 -0.048 0.000 2.345 729 G HA2 0.420 4.380 3.960 -0.001 0.000 0.285 729 G HA3 0.420 4.380 3.960 -0.001 0.000 0.285 729 G C -1.757 173.097 174.900 -0.078 0.000 1.297 729 G CA -0.163 44.883 45.100 -0.091 0.000 0.875 729 G HN 0.091 nan 8.290 nan 0.000 0.506 730 V N 0.993 120.865 119.914 -0.071 0.000 2.709 730 V HA 0.478 4.597 4.120 -0.001 0.000 0.308 730 V C 0.173 176.264 176.094 -0.004 0.000 1.062 730 V CA -1.002 61.277 62.300 -0.035 0.000 0.901 730 V CB 1.797 33.587 31.823 -0.055 0.000 1.003 730 V HN 0.718 nan 8.190 nan 0.000 0.425 731 I N 2.983 123.572 120.570 0.031 0.000 2.741 731 I HA 0.101 4.270 4.170 -0.001 0.000 0.288 731 I C 0.689 176.839 176.117 0.055 0.000 1.192 731 I CA 1.178 62.520 61.300 0.071 0.000 1.426 731 I CB 0.500 38.578 38.000 0.130 0.000 1.367 731 I HN 0.716 nan 8.210 nan 0.000 0.563 732 S N 5.099 120.828 115.700 0.050 0.000 2.503 732 S HA 0.361 4.831 4.470 -0.001 0.000 0.301 732 S C 0.566 175.181 174.600 0.026 0.000 1.087 732 S CA -0.544 57.676 58.200 0.034 0.000 1.042 732 S CB 1.619 64.834 63.200 0.024 0.000 1.043 732 S HN 0.711 nan 8.310 nan 0.000 0.489 733 E N 1.262 121.481 120.200 0.032 0.000 2.562 733 E HA 0.122 4.472 4.350 -0.001 0.000 0.214 733 E C 0.035 176.635 176.600 0.001 0.000 0.979 733 E CA 0.186 56.598 56.400 0.019 0.000 1.002 733 E CB 0.556 30.276 29.700 0.033 0.000 1.048 733 E HN 0.736 nan 8.360 nan 0.000 0.488 734 T N -1.876 112.682 114.554 0.006 0.000 3.487 734 T HA 0.522 4.871 4.350 -0.001 0.000 0.287 734 T C 0.114 174.787 174.700 -0.044 0.000 1.004 734 T CA -0.371 61.717 62.100 -0.020 0.000 0.977 734 T CB 0.777 69.654 68.868 0.015 0.000 1.180 734 T HN 0.098 nan 8.240 nan 0.000 0.490 735 A N 0.419 123.209 122.820 -0.050 0.000 2.488 735 A HA 0.669 4.988 4.320 -0.001 0.000 0.249 735 A C 1.536 179.030 177.584 -0.150 0.000 1.083 735 A CA 0.059 52.053 52.037 -0.071 0.000 0.768 735 A CB 0.116 19.097 19.000 -0.033 0.000 1.017 735 A HN 0.593 nan 8.150 nan 0.000 0.496 736 G N 1.156 109.809 108.800 -0.246 0.000 2.459 736 G HA2 0.313 4.272 3.960 -0.001 0.000 0.213 736 G HA3 0.313 4.272 3.960 -0.001 0.000 0.213 736 G C 0.021 174.527 174.900 -0.656 0.000 1.155 736 G CA 0.231 45.042 45.100 -0.482 0.000 0.811 736 G HN 0.520 nan 8.290 nan 0.000 0.534 737 F N -0.400 119.487 119.950 -0.105 0.000 2.518 737 F HA 0.636 5.162 4.527 -0.001 0.000 0.323 737 F C -0.366 175.482 175.800 0.080 0.000 1.129 737 F CA -1.108 56.908 58.000 0.027 0.000 0.920 737 F CB 2.470 41.557 39.000 0.145 0.000 1.160 737 F HN -0.049 nan 8.300 nan 0.000 0.440 738 V N 5.420 125.485 119.914 0.251 0.000 2.789 738 V HA 0.696 4.816 4.120 -0.001 0.000 0.311 738 V C -1.430 174.795 176.094 0.218 0.000 1.073 738 V CA -0.708 61.715 62.300 0.206 0.000 0.921 738 V CB 2.107 34.009 31.823 0.132 0.000 1.009 738 V HN 0.678 nan 8.190 nan 0.000 0.426 739 L N 5.292 126.640 121.223 0.209 0.000 2.334 739 L HA 0.798 5.137 4.340 -0.001 0.000 0.272 739 L C 1.087 178.071 176.870 0.190 0.000 1.020 739 L CA -0.062 54.880 54.840 0.171 0.000 0.812 739 L CB 1.760 43.897 42.059 0.130 0.000 1.264 739 L HN 1.068 nan 8.230 nan 0.000 0.439 740 G N 0.899 109.759 108.800 0.100 0.000 2.256 740 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.272 740 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.272 740 G C 0.570 175.401 174.900 -0.116 0.000 1.076 740 G CA 0.209 45.313 45.100 0.008 0.000 0.882 740 G HN 0.806 nan 8.290 nan 0.000 0.497 741 E N -0.100 120.027 120.200 -0.122 0.000 2.112 741 E HA 0.028 4.378 4.350 -0.001 0.000 0.190 741 E C 1.594 177.947 176.600 -0.411 0.000 0.979 741 E CA 0.719 56.893 56.400 -0.377 0.000 0.814 741 E CB -0.096 29.517 29.700 -0.144 0.000 0.762 741 E HN 0.581 nan 8.360 nan 0.000 0.460 742 S N 0.311 115.874 115.700 -0.230 0.000 3.631 742 S HA -0.170 4.299 4.470 -0.001 0.000 0.366 742 S C 1.201 175.778 174.600 -0.038 0.000 0.993 742 S CA 0.468 58.592 58.200 -0.127 0.000 1.167 742 S CB -1.442 61.668 63.200 -0.149 0.000 0.909 742 S HN 0.450 nan 8.310 nan 0.000 0.478 743 S N -0.260 115.347 115.700 -0.156 0.000 2.402 743 S HA -0.034 4.435 4.470 -0.001 0.000 0.229 743 S C 1.268 175.750 174.600 -0.197 0.000 1.021 743 S CA 1.049 59.101 58.200 -0.247 0.000 0.974 743 S CB -0.365 62.561 63.200 -0.456 0.000 0.800 743 S HN 0.607 nan 8.310 nan 0.000 0.484 744 F N 1.840 121.809 119.950 0.032 0.000 2.104 744 F HA 0.312 4.838 4.527 -0.001 0.000 0.288 744 F C 1.672 177.471 175.800 -0.000 0.000 1.107 744 F CA 0.438 58.446 58.000 0.014 0.000 1.208 744 F CB -0.086 38.891 39.000 -0.037 0.000 1.033 744 F HN 0.170 nan 8.300 nan 0.000 0.478 745 E N -1.887 118.344 120.200 0.051 0.000 2.393 745 E HA 0.133 4.482 4.350 -0.001 0.000 0.265 745 E C -1.558 174.566 176.600 -0.793 0.000 0.941 745 E CA -1.218 55.010 56.400 -0.287 0.000 0.801 745 E CB 1.110 30.690 29.700 -0.200 0.000 1.313 745 E HN 0.089 nan 8.360 nan 0.000 0.435 746 W N 2.634 123.204 121.300 -1.218 0.000 2.231 746 W HA -0.060 4.599 4.660 -0.001 0.000 0.341 746 W C 1.162 177.468 176.519 -0.354 0.000 1.298 746 W CA 0.165 56.989 57.345 -0.868 0.000 1.266 746 W CB 0.671 29.927 29.460 -0.340 0.000 1.172 746 W HN 0.584 nan 8.180 nan 0.000 0.568 747 Q N 3.564 122.908 119.800 -0.760 0.000 2.170 747 Q HA -0.037 4.302 4.340 -0.001 0.000 0.203 747 Q C 1.670 177.074 176.000 -0.993 0.000 0.976 747 Q CA 2.122 57.502 55.803 -0.706 0.000 0.858 747 Q CB -0.902 27.572 28.738 -0.442 0.000 0.907 747 Q HN 0.645 nan 8.270 nan 0.000 0.433 748 G N -0.409 107.175 108.800 -2.027 0.000 3.233 748 G HA2 0.339 4.298 3.960 -0.001 0.000 0.227 748 G HA3 0.339 4.298 3.960 -0.001 0.000 0.227 748 G C 1.112 175.249 174.900 -1.272 0.000 1.175 748 G CA 0.083 44.131 45.100 -1.753 0.000 0.781 748 G HN 0.490 nan 8.290 nan 0.000 0.542 749 A N -0.369 121.936 122.820 -0.859 0.000 2.121 749 A HA 0.419 4.738 4.320 -0.001 0.000 0.218 749 A C 0.756 178.125 177.584 -0.359 0.000 1.154 749 A CA 0.654 52.470 52.037 -0.369 0.000 0.679 749 A CB 0.201 18.912 19.000 -0.482 0.000 0.795 749 A HN 0.223 nan 8.150 nan 0.000 0.458 750 V N 0.273 119.972 119.914 -0.358 0.000 2.680 750 V HA 0.316 4.436 4.120 -0.001 0.000 0.309 750 V C -0.272 175.676 176.094 -0.244 0.000 1.052 750 V CA -0.771 61.360 62.300 -0.282 0.000 0.908 750 V CB 1.936 33.587 31.823 -0.287 0.000 1.001 750 V HN 0.360 nan 8.190 nan 0.000 0.431 751 L N 4.451 125.553 121.223 -0.201 0.000 2.410 751 L HA 0.374 4.714 4.340 -0.001 0.000 0.273 751 L C 0.041 176.800 176.870 -0.185 0.000 1.144 751 L CA 0.137 54.878 54.840 -0.165 0.000 0.863 751 L CB 0.439 42.422 42.059 -0.127 0.000 1.140 751 L HN 0.589 nan 8.230 nan 0.000 0.463 752 K N 2.277 122.589 120.400 -0.147 0.000 2.318 752 K HA 0.320 4.639 4.320 -0.001 0.000 0.249 752 K C -0.510 176.040 176.600 -0.083 0.000 0.942 752 K CA -0.888 55.324 56.287 -0.124 0.000 0.808 752 K CB 1.702 34.131 32.500 -0.118 0.000 1.189 752 K HN 0.559 nan 8.250 nan 0.000 0.428 753 N N 0.122 118.791 118.700 -0.050 0.000 2.285 753 N HA -0.082 4.657 4.740 -0.001 0.000 0.262 753 N C 0.669 176.140 175.510 -0.065 0.000 1.299 753 N CA -0.152 52.880 53.050 -0.029 0.000 0.930 753 N CB 0.233 38.743 38.487 0.038 0.000 1.157 753 N HN 0.707 nan 8.380 nan 0.000 0.532 754 E N -1.582 118.531 120.200 -0.145 0.000 2.333 754 E HA -0.159 4.190 4.350 -0.001 0.000 0.198 754 E C 0.295 176.644 176.600 -0.417 0.000 1.007 754 E CA 1.029 57.238 56.400 -0.318 0.000 0.845 754 E CB -0.532 28.885 29.700 -0.472 0.000 0.766 754 E HN 0.583 nan 8.360 nan 0.000 0.507 755 F N 0.159 120.101 119.950 -0.013 0.000 2.727 755 F HA 0.393 4.919 4.527 -0.001 0.000 0.302 755 F C 1.639 177.430 175.800 -0.015 0.000 1.097 755 F CA 0.330 58.325 58.000 -0.009 0.000 1.330 755 F CB 1.164 40.161 39.000 -0.004 0.000 1.084 755 F HN 0.212 nan 8.300 nan 0.000 0.578 756 G N 0.034 108.884 108.800 0.083 0.000 2.175 756 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.244 756 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.244 756 G C 0.714 175.623 174.900 0.016 0.000 0.982 756 G CA -0.260 44.856 45.100 0.027 0.000 0.641 756 G HN 0.716 nan 8.290 nan 0.000 0.527 757 G N -0.117 108.717 108.800 0.056 0.000 2.432 757 G HA2 0.551 4.510 3.960 -0.001 0.000 0.257 757 G HA3 0.551 4.510 3.960 -0.001 0.000 0.257 757 G C 0.404 175.281 174.900 -0.039 0.000 1.238 757 G CA -0.508 44.613 45.100 0.035 0.000 0.838 757 G HN 0.637 nan 8.290 nan 0.000 0.547 758 I N 1.367 121.878 120.570 -0.097 0.000 2.648 758 I HA 0.049 4.218 4.170 -0.001 0.000 0.284 758 I C 0.371 176.242 176.117 -0.409 0.000 1.153 758 I CA 0.195 61.303 61.300 -0.320 0.000 1.426 758 I CB 0.711 38.414 38.000 -0.495 0.000 1.381 758 I HN 0.217 nan 8.210 nan 0.000 0.571 759 I N 6.588 126.921 120.570 -0.394 0.000 2.396 759 I HA 0.276 4.445 4.170 -0.001 0.000 0.292 759 I C -0.607 175.247 176.117 -0.439 0.000 0.999 759 I CA -0.327 60.808 61.300 -0.274 0.000 1.310 759 I CB 0.595 38.514 38.000 -0.136 0.000 1.404 759 I HN 0.365 nan 8.210 nan 0.000 0.496 760 Y N 2.985 123.250 120.300 -0.059 0.000 2.598 760 Y HA 0.474 5.023 4.550 -0.001 0.000 0.340 760 Y C -0.103 175.741 175.900 -0.093 0.000 1.038 760 Y CA -0.911 57.142 58.100 -0.079 0.000 1.100 760 Y CB 1.733 40.145 38.460 -0.081 0.000 1.281 760 Y HN 0.518 nan 8.280 nan 0.000 0.488 761 E N 0.047 120.278 120.200 0.053 0.000 2.238 761 E HA 0.435 4.784 4.350 -0.001 0.000 0.267 761 E C -1.592 174.922 176.600 -0.143 0.000 0.887 761 E CA -1.053 55.319 56.400 -0.048 0.000 0.769 761 E CB 1.904 31.558 29.700 -0.078 0.000 1.187 761 E HN 0.550 nan 8.360 nan 0.000 0.416 762 E N 1.709 121.815 120.200 -0.156 0.000 2.223 762 E HA 0.259 4.608 4.350 -0.001 0.000 0.282 762 E C -0.788 175.636 176.600 -0.293 0.000 1.046 762 E CA -0.488 55.770 56.400 -0.236 0.000 0.857 762 E CB 1.601 31.213 29.700 -0.148 0.000 1.055 762 E HN 0.268 nan 8.360 nan 0.000 0.409 763 V N 3.069 122.671 119.914 -0.520 0.000 2.555 763 V HA 0.301 4.420 4.120 -0.001 0.000 0.302 763 V C -0.063 175.887 176.094 -0.239 0.000 1.038 763 V CA -0.833 61.206 62.300 -0.435 0.000 0.887 763 V CB 2.097 33.545 31.823 -0.624 0.000 0.991 763 V HN 0.638 nan 8.190 nan 0.000 0.434 764 T N 2.703 117.221 114.554 -0.059 0.000 2.821 764 T HA 0.309 4.659 4.350 -0.001 0.000 0.307 764 T C 0.251 175.001 174.700 0.084 0.000 1.034 764 T CA -0.344 61.778 62.100 0.037 0.000 0.953 764 T CB 0.771 69.647 68.868 0.014 0.000 0.968 764 T HN 0.755 nan 8.240 nan 0.000 0.462 765 T N 2.724 117.371 114.554 0.155 0.000 2.932 765 T HA 0.009 4.358 4.350 -0.001 0.000 0.312 765 T C 1.683 176.427 174.700 0.073 0.000 1.071 765 T CA -0.339 61.835 62.100 0.123 0.000 1.128 765 T CB 0.828 69.753 68.868 0.095 0.000 0.984 765 T HN 0.718 nan 8.240 nan 0.000 0.549 766 E N 1.800 122.034 120.200 0.056 0.000 2.108 766 E HA -0.269 4.080 4.350 -0.001 0.000 0.203 766 E C 1.636 178.267 176.600 0.051 0.000 1.022 766 E CA 2.322 58.749 56.400 0.046 0.000 0.823 766 E CB -0.354 29.369 29.700 0.039 0.000 0.744 766 E HN 0.815 nan 8.360 nan 0.000 0.456 767 D N -2.051 118.382 120.400 0.055 0.000 2.092 767 D HA -0.110 4.529 4.640 -0.001 0.000 0.193 767 D C 1.327 177.670 176.300 0.070 0.000 0.994 767 D CA 2.684 56.725 54.000 0.068 0.000 0.828 767 D CB -0.191 40.653 40.800 0.074 0.000 0.963 767 D HN 0.375 nan 8.370 nan 0.000 0.450 768 G N -1.832 107.012 108.800 0.073 0.000 3.288 768 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.219 768 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.219 768 G C -0.202 174.750 174.900 0.087 0.000 0.944 768 G CA 0.052 45.196 45.100 0.072 0.000 0.854 768 G HN 0.269 nan 8.290 nan 0.000 0.632 769 V N 1.907 121.883 119.914 0.103 0.000 2.485 769 V HA 0.273 4.392 4.120 -0.001 0.000 0.287 769 V C 0.718 176.923 176.094 0.186 0.000 1.022 769 V CA 0.395 62.772 62.300 0.128 0.000 1.067 769 V CB 1.250 33.124 31.823 0.084 0.000 0.967 769 V HN 0.287 nan 8.190 nan 0.000 0.479 770 K N 6.456 126.951 120.400 0.158 0.000 2.354 770 K HA 0.484 4.803 4.320 -0.001 0.000 0.257 770 K C -0.753 175.945 176.600 0.164 0.000 1.062 770 K CA -0.413 55.949 56.287 0.125 0.000 0.971 770 K CB 0.499 33.033 32.500 0.056 0.000 1.305 770 K HN 0.650 nan 8.250 nan 0.000 0.449 771 F N 1.320 121.235 119.950 -0.059 0.000 2.691 771 F HA 0.596 5.122 4.527 -0.001 0.000 0.334 771 F C -1.445 174.307 175.800 -0.080 0.000 1.107 771 F CA -1.268 56.682 58.000 -0.083 0.000 0.991 771 F CB 0.973 39.903 39.000 -0.118 0.000 1.400 771 F HN 0.140 nan 8.300 nan 0.000 0.503 772 K N 1.398 121.643 120.400 -0.257 0.000 2.345 772 K HA 0.569 4.888 4.320 -0.001 0.000 0.255 772 K C -1.424 175.111 176.600 -0.108 0.000 0.934 772 K CA -0.913 55.160 56.287 -0.356 0.000 0.801 772 K CB 2.575 34.912 32.500 -0.272 0.000 1.137 772 K HN 0.881 nan 8.250 nan 0.000 0.424 773 R N 3.338 123.750 120.500 -0.148 0.000 2.294 773 R HA 0.330 4.669 4.340 -0.001 0.000 0.319 773 R C -2.346 174.053 176.300 0.165 0.000 0.984 773 R CA -1.969 54.194 56.100 0.106 0.000 0.861 773 R CB 1.034 31.342 30.300 0.015 0.000 1.104 773 R HN 0.487 nan 8.270 nan 0.000 0.451 774 P HA -0.049 nan 4.420 nan 0.000 0.267 774 P C -0.737 176.462 177.300 -0.167 0.000 1.205 774 P CA -0.214 62.763 63.100 -0.205 0.000 0.765 774 P CB 0.553 32.136 31.700 -0.196 0.000 0.828 775 L N 7.359 128.453 121.223 -0.215 0.000 2.410 775 L HA 0.224 4.564 4.340 -0.001 0.000 0.273 775 L C -1.884 174.901 176.870 -0.141 0.000 1.144 775 L CA -1.203 53.551 54.840 -0.143 0.000 0.863 775 L CB -0.604 41.377 42.059 -0.131 0.000 1.140 775 L HN 0.274 nan 8.230 nan 0.000 0.463 776 P HA 0.069 nan 4.420 nan 0.000 0.271 776 P C -0.807 176.463 177.300 -0.049 0.000 1.216 776 P CA -0.330 62.713 63.100 -0.095 0.000 0.771 776 P CB 0.425 32.096 31.700 -0.049 0.000 0.864 777 N N 4.283 122.963 118.700 -0.032 0.000 2.411 777 N HA 0.152 4.891 4.740 -0.001 0.000 0.259 777 N C -1.661 173.938 175.510 0.149 0.000 1.103 777 N CA -2.109 50.967 53.050 0.043 0.000 0.954 777 N CB 0.219 38.728 38.487 0.037 0.000 1.085 777 N HN 0.161 nan 8.380 nan 0.000 0.485 778 P HA -0.083 nan 4.420 nan 0.000 0.219 778 P C -0.149 177.239 177.300 0.145 0.000 1.146 778 P CA 1.212 64.381 63.100 0.115 0.000 0.808 778 P CB 0.233 31.973 31.700 0.067 0.000 0.779 779 D N -1.994 118.512 120.400 0.177 0.000 2.348 779 D HA -0.055 4.584 4.640 -0.001 0.000 0.216 779 D C 0.446 176.886 176.300 0.233 0.000 0.970 779 D CA 0.097 54.206 54.000 0.181 0.000 0.889 779 D CB -0.638 40.286 40.800 0.206 0.000 0.912 779 D HN 0.204 nan 8.370 nan 0.000 0.524 780 F N 1.644 121.719 119.950 0.209 0.000 2.538 780 F HA 0.089 4.616 4.527 -0.001 0.000 0.371 780 F C 0.058 175.885 175.800 0.046 0.000 1.087 780 F CA -0.382 57.754 58.000 0.226 0.000 1.250 780 F CB 0.604 39.766 39.000 0.270 0.000 1.110 780 F HN -0.267 nan 8.300 nan 0.000 0.570 781 D N 8.585 128.450 120.400 -0.893 0.000 2.453 781 D HA 0.321 4.960 4.640 -0.001 0.000 0.238 781 D C -1.861 173.790 176.300 -1.081 0.000 1.088 781 D CA -2.447 51.091 54.000 -0.769 0.000 0.854 781 D CB 1.504 42.041 40.800 -0.438 0.000 1.076 781 D HN 0.244 nan 8.370 nan 0.000 0.533 782 P HA -0.060 nan 4.420 nan 0.000 0.230 782 P C 0.658 177.831 177.300 -0.211 0.000 1.158 782 P CA 0.376 63.206 63.100 -0.450 0.000 0.769 782 P CB 0.563 32.226 31.700 -0.060 0.000 0.807 783 N N 0.772 119.336 118.700 -0.226 0.000 2.135 783 N HA -0.062 4.677 4.740 -0.001 0.000 0.186 783 N C 0.685 176.118 175.510 -0.129 0.000 1.027 783 N CA 0.777 53.744 53.050 -0.138 0.000 0.849 783 N CB -0.517 37.895 38.487 -0.125 0.000 1.002 783 N HN 0.262 nan 8.380 nan 0.000 0.425 784 K N 2.287 122.571 120.400 -0.193 0.000 2.466 784 K HA -0.015 4.304 4.320 -0.001 0.000 0.278 784 K C 0.147 176.706 176.600 -0.069 0.000 1.048 784 K CA 0.034 56.227 56.287 -0.157 0.000 1.088 784 K CB 0.167 32.518 32.500 -0.249 0.000 0.884 784 K HN 0.101 nan 8.250 nan 0.000 0.478 785 N N 3.643 122.326 118.700 -0.027 0.000 2.405 785 N HA -0.050 4.690 4.740 -0.001 0.000 0.260 785 N C -1.099 174.455 175.510 0.073 0.000 1.152 785 N CA -0.012 53.054 53.050 0.026 0.000 0.948 785 N CB 0.287 38.774 38.487 0.001 0.000 1.111 785 N HN 0.438 nan 8.380 nan 0.000 0.485 786 Y N 4.744 125.048 120.300 0.007 0.000 2.496 786 Y HA 0.204 4.754 4.550 -0.001 0.000 0.334 786 Y C -0.076 175.835 175.900 0.019 0.000 1.080 786 Y CA -0.282 57.838 58.100 0.033 0.000 1.355 786 Y CB 0.391 38.916 38.460 0.109 0.000 1.193 786 Y HN 0.396 nan 8.280 nan 0.000 0.523 787 I N 9.810 130.031 120.570 -0.582 0.000 2.355 787 I HA 0.321 4.490 4.170 -0.001 0.000 0.288 787 I C -2.274 173.249 176.117 -0.991 0.000 0.999 787 I CA -2.395 58.548 61.300 -0.596 0.000 1.163 787 I CB 1.367 39.214 38.000 -0.255 0.000 1.316 787 I HN 0.530 nan 8.210 nan 0.000 0.454 788 P HA 0.246 nan 4.420 nan 0.000 0.274 788 P C 0.302 177.385 177.300 -0.363 0.000 1.237 788 P CA -0.447 62.270 63.100 -0.638 0.000 0.793 788 P CB 0.695 32.198 31.700 -0.329 0.000 0.977 789 R N 0.720 120.988 120.500 -0.387 0.000 2.127 789 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 789 R C 2.094 178.260 176.300 -0.222 0.000 1.134 789 R CA 2.043 57.862 56.100 -0.468 0.000 0.975 789 R CB -0.833 28.859 30.300 -1.012 0.000 0.865 789 R HN 0.613 nan 8.270 nan 0.000 0.447 790 S N 0.238 115.794 115.700 -0.242 0.000 2.469 790 S HA -0.173 4.297 4.470 -0.001 0.000 0.238 790 S C 1.660 176.271 174.600 0.018 0.000 0.998 790 S CA 0.988 59.190 58.200 0.003 0.000 0.957 790 S CB 0.019 63.216 63.200 -0.005 0.000 0.764 790 S HN 0.391 nan 8.310 nan 0.000 0.514 791 Q N -0.391 119.381 119.800 -0.048 0.000 2.350 791 Q HA 0.334 4.673 4.340 -0.001 0.000 0.225 791 Q C 0.352 176.349 176.000 -0.006 0.000 0.878 791 Q CA -0.243 55.538 55.803 -0.037 0.000 0.935 791 Q CB 0.427 29.115 28.738 -0.083 0.000 1.099 791 Q HN 0.319 nan 8.270 nan 0.000 0.527 792 R N 0.364 120.881 120.500 0.028 0.000 2.582 792 R HA 0.151 4.491 4.340 -0.001 0.000 0.271 792 R C 0.971 177.341 176.300 0.116 0.000 1.078 792 R CA 0.211 56.374 56.100 0.104 0.000 1.127 792 R CB 0.472 30.909 30.300 0.228 0.000 1.038 792 R HN 0.016 nan 8.270 nan 0.000 0.500 793 R N 1.212 121.766 120.500 0.091 0.000 2.075 793 R HA -0.093 4.246 4.340 -0.001 0.000 0.226 793 R C 1.413 177.737 176.300 0.039 0.000 1.114 793 R CA 1.376 57.502 56.100 0.043 0.000 0.972 793 R CB 0.142 30.471 30.300 0.048 0.000 0.869 793 R HN 0.707 nan 8.270 nan 0.000 0.437 794 E N -0.411 119.850 120.200 0.101 0.000 2.358 794 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 794 E C -0.331 176.308 176.600 0.066 0.000 1.010 794 E CA 0.466 56.909 56.400 0.072 0.000 0.856 794 E CB -0.126 29.542 29.700 -0.054 0.000 0.795 794 E HN 0.214 nan 8.360 nan 0.000 0.504 795 W N 1.417 122.810 121.300 0.155 0.000 2.338 795 W HA 0.322 4.982 4.660 -0.001 0.000 0.307 795 W C -0.295 176.330 176.519 0.176 0.000 1.167 795 W CA -0.383 57.122 57.345 0.268 0.000 1.208 795 W CB 0.702 30.298 29.460 0.226 0.000 1.228 795 W HN -0.001 nan 8.180 nan 0.000 0.499 796 H N 0.887 120.235 119.070 0.464 0.000 2.529 796 H HA 0.391 4.947 4.556 -0.001 0.000 0.348 796 H C -0.523 174.843 175.328 0.064 0.000 1.079 796 H CA -0.960 55.226 56.048 0.229 0.000 1.198 796 H CB 1.226 31.073 29.762 0.141 0.000 1.521 796 H HN 0.056 nan 8.280 nan 0.000 0.514 797 V N 4.123 123.973 119.914 -0.105 0.000 2.446 797 V HA 0.105 4.224 4.120 -0.001 0.000 0.276 797 V C -0.053 176.055 176.094 0.023 0.000 1.030 797 V CA -0.253 61.889 62.300 -0.264 0.000 1.033 797 V CB 0.289 31.922 31.823 -0.317 0.000 0.993 797 V HN 0.468 nan 8.190 nan 0.000 0.477 798 V N 4.626 124.617 119.914 0.128 0.000 2.378 798 V HA 0.538 4.657 4.120 -0.001 0.000 0.288 798 V C 0.874 177.041 176.094 0.122 0.000 1.016 798 V CA -0.488 61.890 62.300 0.130 0.000 0.840 798 V CB 1.565 33.453 31.823 0.108 0.000 0.994 798 V HN 0.946 nan 8.190 nan 0.000 0.431 799 G N 3.900 112.736 108.800 0.060 0.000 2.334 799 G HA2 0.396 4.355 3.960 -0.001 0.000 0.261 799 G HA3 0.396 4.355 3.960 -0.001 0.000 0.261 799 G C 0.521 175.451 174.900 0.050 0.000 1.257 799 G CA -0.165 44.972 45.100 0.062 0.000 0.935 799 G HN 0.739 nan 8.290 nan 0.000 0.480 800 L N 1.780 123.070 121.223 0.112 0.000 2.425 800 L HA 0.392 4.731 4.340 -0.001 0.000 0.215 800 L C 0.336 177.248 176.870 0.070 0.000 1.065 800 L CA 0.159 55.056 54.840 0.096 0.000 0.842 800 L CB 0.177 42.336 42.059 0.167 0.000 1.033 800 L HN 0.425 nan 8.230 nan 0.000 0.474 801 L N 0.121 121.429 121.223 0.141 0.000 2.505 801 L HA 0.807 5.146 4.340 -0.001 0.000 0.266 801 L C -0.574 176.446 176.870 0.249 0.000 0.954 801 L CA 0.157 55.096 54.840 0.164 0.000 0.852 801 L CB 1.758 43.920 42.059 0.172 0.000 1.282 801 L HN 0.075 nan 8.230 nan 0.000 0.403 802 G N 3.187 112.068 108.800 0.134 0.000 2.346 802 G HA2 0.053 4.012 3.960 -0.001 0.000 0.294 802 G HA3 0.053 4.012 3.960 -0.001 0.000 0.294 802 G C -1.615 173.305 174.900 0.034 0.000 1.294 802 G CA -0.910 44.265 45.100 0.124 0.000 0.962 802 G HN 0.654 nan 8.290 nan 0.000 0.508 803 Q N 0.019 119.846 119.800 0.045 0.000 2.344 803 Q HA 0.534 4.873 4.340 -0.001 0.000 0.253 803 Q C -0.114 175.874 176.000 -0.020 0.000 1.050 803 Q CA 0.375 56.179 55.803 0.002 0.000 0.912 803 Q CB 0.645 29.417 28.738 0.056 0.000 1.258 803 Q HN 0.430 nan 8.270 nan 0.000 0.443 804 I N 1.278 121.786 120.570 -0.102 0.000 2.545 804 I HA 0.484 4.653 4.170 -0.001 0.000 0.292 804 I C -0.236 175.779 176.117 -0.169 0.000 1.040 804 I CA -1.188 60.058 61.300 -0.091 0.000 1.068 804 I CB 1.939 39.892 38.000 -0.079 0.000 1.251 804 I HN 0.472 nan 8.210 nan 0.000 0.424 805 A N 6.026 128.766 122.820 -0.135 0.000 2.454 805 A HA 0.617 4.936 4.320 -0.001 0.000 0.260 805 A C -0.342 177.189 177.584 -0.088 0.000 1.106 805 A CA -0.118 51.833 52.037 -0.143 0.000 0.780 805 A CB 0.206 19.196 19.000 -0.016 0.000 1.044 805 A HN 0.484 nan 8.150 nan 0.000 0.498 806 V N 3.826 123.683 119.914 -0.095 0.000 2.789 806 V HA 0.363 4.482 4.120 -0.001 0.000 0.311 806 V C 0.167 176.221 176.094 -0.066 0.000 1.073 806 V CA -0.877 61.376 62.300 -0.080 0.000 0.921 806 V CB 1.941 33.731 31.823 -0.054 0.000 1.009 806 V HN 0.984 nan 8.190 nan 0.000 0.426 807 R N 4.022 124.439 120.500 -0.138 0.000 2.401 807 R HA 0.503 4.842 4.340 -0.001 0.000 0.299 807 R C -0.128 176.172 176.300 -0.001 0.000 1.064 807 R CA 0.110 56.138 56.100 -0.121 0.000 1.000 807 R CB 0.316 30.321 30.300 -0.491 0.000 0.973 807 R HN 0.772 nan 8.270 nan 0.000 0.438 808 I N -1.413 119.228 120.570 0.118 0.000 3.133 808 I HA 0.575 4.744 4.170 -0.001 0.000 0.311 808 I C -0.544 175.686 176.117 0.188 0.000 1.072 808 I CA -1.235 60.131 61.300 0.109 0.000 1.015 808 I CB 2.092 40.136 38.000 0.073 0.000 1.233 808 I HN 0.463 nan 8.210 nan 0.000 0.473 809 D N 0.967 121.401 120.400 0.056 0.000 2.650 809 D HA 0.154 4.793 4.640 -0.001 0.000 0.255 809 D C 0.643 176.683 176.300 -0.433 0.000 1.135 809 D CA -0.393 53.525 54.000 -0.137 0.000 1.099 809 D CB 0.353 41.066 40.800 -0.144 0.000 1.273 809 D HN 0.695 nan 8.370 nan 0.000 0.628 810 E N -0.461 119.148 120.200 -0.984 0.000 2.338 810 E HA -0.163 4.186 4.350 -0.001 0.000 0.197 810 E C 1.243 177.660 176.600 -0.305 0.000 1.007 810 E CA 1.591 57.565 56.400 -0.709 0.000 0.849 810 E CB -0.959 28.287 29.700 -0.758 0.000 0.774 810 E HN 0.584 nan 8.360 nan 0.000 0.506 811 T N -1.519 112.886 114.554 -0.249 0.000 3.081 811 T HA 0.170 4.519 4.350 -0.001 0.000 0.255 811 T C 0.917 175.536 174.700 -0.136 0.000 1.113 811 T CA -0.117 61.885 62.100 -0.162 0.000 1.082 811 T CB -0.048 68.743 68.868 -0.129 0.000 0.939 811 T HN -0.050 nan 8.240 nan 0.000 0.506 812 V N 1.980 121.825 119.914 -0.114 0.000 2.461 812 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 812 V C 0.070 176.115 176.094 -0.082 0.000 1.047 812 V CA -0.499 61.756 62.300 -0.075 0.000 0.955 812 V CB 0.973 32.780 31.823 -0.027 0.000 0.988 812 V HN 0.355 nan 8.190 nan 0.000 0.471 813 K N 3.090 123.426 120.400 -0.106 0.000 2.316 813 K HA 0.406 4.725 4.320 -0.001 0.000 0.251 813 K C -0.347 176.284 176.600 0.052 0.000 0.934 813 K CA -0.741 55.485 56.287 -0.103 0.000 0.802 813 K CB 2.090 34.375 32.500 -0.359 0.000 1.171 813 K HN 0.706 nan 8.250 nan 0.000 0.426 814 Q N 0.510 120.352 119.800 0.070 0.000 2.315 814 Q HA 0.006 4.346 4.340 -0.001 0.000 0.289 814 Q C 0.611 176.721 176.000 0.183 0.000 1.044 814 Q CA 1.655 57.514 55.803 0.093 0.000 0.920 814 Q CB 0.265 29.034 28.738 0.052 0.000 1.214 814 Q HN 0.892 nan 8.270 nan 0.000 0.392 815 G N 2.560 111.422 108.800 0.105 0.000 2.179 815 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.260 815 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.260 815 G C -0.017 174.850 174.900 -0.056 0.000 0.977 815 G CA 0.334 45.451 45.100 0.028 0.000 0.641 815 G HN 0.806 nan 8.290 nan 0.000 0.533 816 H N -0.248 118.824 119.070 0.003 0.000 2.748 816 H HA 0.684 5.239 4.556 -0.001 0.000 0.315 816 H C -0.043 175.291 175.328 0.009 0.000 1.429 816 H CA 0.047 56.095 56.048 0.001 0.000 1.444 816 H CB 1.688 31.447 29.762 -0.006 0.000 1.827 816 H HN 0.230 nan 8.280 nan 0.000 0.754 817 S N 0.395 116.175 115.700 0.133 0.000 2.718 817 S HA 0.531 5.000 4.470 -0.001 0.000 0.300 817 S C -0.025 174.605 174.600 0.050 0.000 1.117 817 S CA -0.797 57.441 58.200 0.063 0.000 1.002 817 S CB 1.262 64.460 63.200 -0.002 0.000 1.092 817 S HN 0.506 nan 8.310 nan 0.000 0.542 818 I N -1.204 119.377 120.570 0.018 0.000 2.647 818 I HA 0.723 4.892 4.170 -0.001 0.000 0.295 818 I C -1.448 174.649 176.117 -0.034 0.000 1.078 818 I CA -0.804 60.509 61.300 0.021 0.000 1.048 818 I CB 2.084 40.138 38.000 0.089 0.000 1.239 818 I HN 0.281 nan 8.210 nan 0.000 0.421 819 D N 2.934 123.322 120.400 -0.020 0.000 2.650 819 D HA 0.827 5.467 4.640 -0.001 0.000 0.255 819 D C -0.768 175.538 176.300 0.010 0.000 1.135 819 D CA -0.450 53.534 54.000 -0.027 0.000 1.099 819 D CB 2.040 42.819 40.800 -0.035 0.000 1.273 819 D HN 0.838 nan 8.370 nan 0.000 0.628 820 A N -0.083 122.744 122.820 0.012 0.000 2.414 820 A HA 0.644 4.963 4.320 -0.001 0.000 0.306 820 A C -1.294 176.304 177.584 0.024 0.000 1.054 820 A CA -0.556 51.500 52.037 0.032 0.000 0.724 820 A CB 1.390 20.418 19.000 0.048 0.000 1.267 820 A HN 0.218 nan 8.150 nan 0.000 0.418 821 V N 1.389 121.325 119.914 0.036 0.000 2.482 821 V HA 0.592 4.711 4.120 -0.001 0.000 0.295 821 V C 0.974 177.102 176.094 0.056 0.000 1.026 821 V CA 0.341 62.661 62.300 0.033 0.000 0.856 821 V CB 1.156 32.995 31.823 0.026 0.000 1.001 821 V HN 2.107 nan 8.190 nan 0.000 0.424 822 G N 3.621 112.444 108.800 0.039 0.000 2.356 822 G HA2 0.034 3.993 3.960 -0.001 0.000 0.296 822 G HA3 0.034 3.993 3.960 -0.001 0.000 0.296 822 G C 1.247 176.204 174.900 0.095 0.000 1.022 822 G CA 0.883 46.006 45.100 0.038 0.000 0.961 822 G HN 2.390 nan 8.290 nan 0.000 0.510 823 G N -3.256 105.604 108.800 0.100 0.000 2.189 823 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.267 823 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.267 823 G C 0.426 175.488 174.900 0.270 0.000 0.975 823 G CA 0.762 45.987 45.100 0.208 0.000 0.644 823 G HN 1.705 nan 8.290 nan 0.000 0.537 824 V N 0.940 120.959 119.914 0.175 0.000 2.435 824 V HA 0.762 4.881 4.120 -0.001 0.000 0.290 824 V C 0.902 177.035 176.094 0.065 0.000 1.030 824 V CA -0.575 61.779 62.300 0.090 0.000 0.881 824 V CB 1.519 33.404 31.823 0.105 0.000 0.983 824 V HN 1.089 nan 8.190 nan 0.000 0.445 825 A N 3.524 126.372 122.820 0.046 0.000 2.524 825 A HA 0.492 4.811 4.320 -0.001 0.000 0.250 825 A C 0.394 177.993 177.584 0.025 0.000 1.078 825 A CA 0.476 52.541 52.037 0.046 0.000 0.761 825 A CB 0.211 19.240 19.000 0.049 0.000 1.012 825 A HN 0.855 nan 8.150 nan 0.000 0.500 826 T N 0.960 115.522 114.554 0.013 0.000 2.930 826 T HA 0.430 4.780 4.350 -0.001 0.000 0.290 826 T C -0.379 174.311 174.700 -0.016 0.000 1.052 826 T CA -0.521 61.570 62.100 -0.015 0.000 1.017 826 T CB 1.059 69.916 68.868 -0.019 0.000 1.137 826 T HN 0.736 nan 8.240 nan 0.000 0.511 827 D N 0.307 120.686 120.400 -0.035 0.000 2.493 827 D HA 0.481 5.120 4.640 -0.001 0.000 0.240 827 D C 0.487 176.777 176.300 -0.017 0.000 1.142 827 D CA 1.515 55.498 54.000 -0.029 0.000 0.872 827 D CB 0.166 40.932 40.800 -0.057 0.000 1.173 827 D HN 0.809 nan 8.370 nan 0.000 0.467 828 G N 2.279 111.076 108.800 -0.005 0.000 2.635 828 G HA2 0.102 4.062 3.960 -0.001 0.000 0.194 828 G HA3 0.102 4.062 3.960 -0.001 0.000 0.194 828 G C -0.338 174.544 174.900 -0.030 0.000 1.198 828 G CA -0.351 44.736 45.100 -0.022 0.000 0.972 828 G HN 0.411 nan 8.290 nan 0.000 0.520 829 D N 0.213 120.568 120.400 -0.074 0.000 2.454 829 D HA 0.169 4.808 4.640 -0.001 0.000 0.214 829 D C 0.307 176.504 176.300 -0.171 0.000 1.088 829 D CA 0.108 54.050 54.000 -0.096 0.000 0.855 829 D CB 0.414 41.160 40.800 -0.092 0.000 1.025 829 D HN 0.235 nan 8.370 nan 0.000 0.502 830 N N 0.822 119.352 118.700 -0.285 0.000 2.509 830 N HA 0.296 5.035 4.740 -0.001 0.000 0.287 830 N C 0.198 175.418 175.510 -0.482 0.000 1.121 830 N CA -0.253 52.418 53.050 -0.631 0.000 0.977 830 N CB 1.607 39.406 38.487 -1.147 0.000 1.167 830 N HN -0.102 nan 8.380 nan 0.000 0.476 831 F N -0.737 119.215 119.950 0.004 0.000 2.180 831 F HA -0.335 4.192 4.527 -0.001 0.000 0.317 831 F C -0.097 175.704 175.800 0.002 0.000 0.129 831 F CA -0.087 57.915 58.000 0.004 0.000 0.910 831 F CB -0.646 38.356 39.000 0.003 0.000 4.124 831 F HN 0.341 nan 8.300 nan 0.000 0.145 832 I N 0.157 120.867 120.570 0.234 0.000 2.569 832 I HA 0.433 4.602 4.170 -0.001 0.000 0.290 832 I C -0.909 175.262 176.117 0.090 0.000 1.088 832 I CA -0.888 60.480 61.300 0.114 0.000 1.047 832 I CB 1.855 39.896 38.000 0.068 0.000 1.237 832 I HN 0.343 nan 8.210 nan 0.000 0.421 833 V N 5.905 125.864 119.914 0.074 0.000 2.405 833 V HA 0.067 4.186 4.120 -0.001 0.000 0.264 833 V C 0.992 177.096 176.094 0.015 0.000 1.048 833 V CA 0.159 62.484 62.300 0.042 0.000 0.966 833 V CB 0.875 32.731 31.823 0.056 0.000 1.015 833 V HN 0.909 nan 8.190 nan 0.000 0.477 834 Q N 4.309 124.096 119.800 -0.021 0.000 1.984 834 Q HA -0.020 4.319 4.340 -0.001 0.000 0.196 834 Q C 0.455 176.432 176.000 -0.039 0.000 0.975 834 Q CA 1.448 57.231 55.803 -0.033 0.000 0.827 834 Q CB 0.423 29.124 28.738 -0.063 0.000 0.894 834 Q HN 0.945 nan 8.270 nan 0.000 0.438 835 E N -0.725 119.429 120.200 -0.076 0.000 2.354 835 E HA 0.358 4.707 4.350 -0.001 0.000 0.283 835 E C -1.321 175.227 176.600 -0.088 0.000 0.938 835 E CA -0.541 55.819 56.400 -0.066 0.000 0.777 835 E CB 0.892 30.556 29.700 -0.061 0.000 1.222 835 E HN 0.142 nan 8.360 nan 0.000 0.423 836 I N 2.994 123.536 120.570 -0.048 0.000 2.517 836 I HA 0.073 4.242 4.170 -0.001 0.000 0.285 836 I C 1.136 177.226 176.117 -0.045 0.000 1.106 836 I CA 0.221 61.497 61.300 -0.041 0.000 1.402 836 I CB 0.994 38.988 38.000 -0.010 0.000 1.399 836 I HN 0.864 nan 8.210 nan 0.000 0.535 837 T N -0.473 114.045 114.554 -0.060 0.000 2.990 837 T HA 0.132 4.481 4.350 -0.001 0.000 0.250 837 T C 0.644 175.346 174.700 0.004 0.000 1.041 837 T CA 0.059 62.138 62.100 -0.035 0.000 1.010 837 T CB 0.255 69.075 68.868 -0.081 0.000 1.003 837 T HN 0.494 nan 8.240 nan 0.000 0.499 838 T N 3.945 118.497 114.554 -0.003 0.000 3.078 838 T HA 0.469 4.819 4.350 -0.001 0.000 0.328 838 T C -3.060 171.631 174.700 -0.015 0.000 0.987 838 T CA -1.079 61.016 62.100 -0.009 0.000 1.049 838 T CB 1.904 70.768 68.868 -0.008 0.000 1.011 838 T HN 0.005 nan 8.240 nan 0.000 0.463 839 P HA 0.084 nan 4.420 nan 0.000 0.269 839 P C -0.443 176.863 177.300 0.010 0.000 1.209 839 P CA -0.502 62.606 63.100 0.014 0.000 0.776 839 P CB 0.327 32.033 31.700 0.010 0.000 0.876 840 Y N 2.581 122.846 120.300 -0.058 0.000 2.805 840 Y HA 0.151 4.701 4.550 -0.001 0.000 0.337 840 Y C 0.416 176.268 175.900 -0.080 0.000 1.252 840 Y CA 1.035 59.093 58.100 -0.070 0.000 1.515 840 Y CB 0.146 38.584 38.460 -0.037 0.000 1.305 840 Y HN 0.398 nan 8.280 nan 0.000 0.600 841 T N 2.744 116.824 114.554 -0.790 0.000 2.916 841 T HA 0.334 4.683 4.350 -0.001 0.000 0.298 841 T C 0.376 174.545 174.700 -0.886 0.000 1.031 841 T CA -1.106 60.636 62.100 -0.596 0.000 0.993 841 T CB 1.879 70.537 68.868 -0.350 0.000 1.045 841 T HN 0.753 nan 8.240 nan 0.000 0.454 842 K N 0.863 121.012 120.400 -0.418 0.000 2.089 842 K HA -0.188 4.132 4.320 -0.001 0.000 0.210 842 K C 2.213 178.699 176.600 -0.191 0.000 1.048 842 K CA 2.132 58.307 56.287 -0.186 0.000 0.926 842 K CB 0.003 32.497 32.500 -0.010 0.000 0.714 842 K HN 0.782 nan 8.250 nan 0.000 0.448 843 E N 1.106 121.190 120.200 -0.194 0.000 2.072 843 E HA -0.176 4.173 4.350 -0.001 0.000 0.190 843 E C 1.665 178.171 176.600 -0.156 0.000 0.982 843 E CA 1.125 57.443 56.400 -0.136 0.000 0.803 843 E CB -0.150 29.483 29.700 -0.111 0.000 0.755 843 E HN 0.286 nan 8.360 nan 0.000 0.453 844 K N 0.007 120.244 120.400 -0.273 0.000 2.116 844 K HA 0.010 4.329 4.320 -0.001 0.000 0.203 844 K C 1.336 177.826 176.600 -0.182 0.000 1.052 844 K CA 0.958 57.064 56.287 -0.301 0.000 0.952 844 K CB 0.075 32.224 32.500 -0.584 0.000 0.729 844 K HN 0.384 nan 8.250 nan 0.000 0.446 845 G N 0.840 109.477 108.800 -0.271 0.000 2.175 845 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.244 845 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.244 845 G C -0.154 174.866 174.900 0.201 0.000 0.982 845 G CA 0.609 45.705 45.100 -0.007 0.000 0.641 845 G HN 0.410 nan 8.290 nan 0.000 0.527 846 Y N -2.273 117.942 120.300 -0.141 0.000 2.677 846 Y HA 0.703 5.253 4.550 -0.001 0.000 0.334 846 Y C 0.233 176.119 175.900 -0.024 0.000 1.196 846 Y CA -0.927 57.207 58.100 0.056 0.000 1.059 846 Y CB 0.510 38.975 38.460 0.008 0.000 1.315 846 Y HN 0.764 nan 8.280 nan 0.000 0.455 847 G N 0.254 109.180 108.800 0.209 0.000 2.932 847 G HA2 0.656 4.615 3.960 -0.001 0.000 0.283 847 G HA3 0.656 4.615 3.960 -0.001 0.000 0.283 847 G C -1.893 173.127 174.900 0.199 0.000 1.336 847 G CA -1.244 43.903 45.100 0.078 0.000 1.056 847 G HN 0.736 nan 8.290 nan 0.000 0.522 848 V N 0.045 120.016 119.914 0.096 0.000 2.531 848 V HA 0.739 4.859 4.120 -0.001 0.000 0.301 848 V C 0.074 176.160 176.094 -0.014 0.000 1.034 848 V CA -0.659 61.679 62.300 0.064 0.000 0.865 848 V CB 1.044 32.912 31.823 0.074 0.000 0.995 848 V HN 1.157 nan 8.190 nan 0.000 0.424 849 A N 5.212 128.003 122.820 -0.049 0.000 2.386 849 A HA 0.861 5.180 4.320 -0.001 0.000 0.311 849 A C -0.706 176.764 177.584 -0.191 0.000 1.068 849 A CA -0.693 51.282 52.037 -0.103 0.000 0.743 849 A CB 1.102 20.070 19.000 -0.052 0.000 1.258 849 A HN 0.623 nan 8.150 nan 0.000 0.429 850 I N 2.518 122.909 120.570 -0.299 0.000 2.517 850 I HA 0.183 4.353 4.170 -0.001 0.000 0.285 850 I C -0.098 175.899 176.117 -0.199 0.000 1.106 850 I CA 0.185 61.259 61.300 -0.377 0.000 1.402 850 I CB 0.184 37.863 38.000 -0.535 0.000 1.399 850 I HN 0.233 nan 8.210 nan 0.000 0.535 851 V N 7.546 127.362 119.914 -0.164 0.000 2.495 851 V HA 0.273 4.392 4.120 -0.001 0.000 0.298 851 V C -0.056 175.975 176.094 -0.106 0.000 1.031 851 V CA -0.916 61.330 62.300 -0.091 0.000 0.871 851 V CB 2.212 33.997 31.823 -0.063 0.000 0.988 851 V HN 0.460 nan 8.190 nan 0.000 0.432 852 L N 7.175 128.369 121.223 -0.049 0.000 2.363 852 L HA 0.415 4.754 4.340 -0.001 0.000 0.286 852 L C -0.191 176.634 176.870 -0.077 0.000 1.106 852 L CA 0.511 55.328 54.840 -0.037 0.000 0.859 852 L CB 0.743 42.811 42.059 0.015 0.000 1.223 852 L HN 0.455 nan 8.230 nan 0.000 0.446 853 V N 6.285 126.072 119.914 -0.213 0.000 2.465 853 V HA 0.478 4.598 4.120 -0.001 0.000 0.279 853 V C 0.344 176.350 176.094 -0.147 0.000 1.045 853 V CA -0.550 61.467 62.300 -0.472 0.000 0.938 853 V CB 1.142 32.571 31.823 -0.657 0.000 0.986 853 V HN 0.744 nan 8.190 nan 0.000 0.467 854 K N 0.000 120.402 120.400 0.004 0.000 2.780 854 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 854 K CA 0.000 56.344 56.287 0.096 0.000 0.838 854 K CB 0.000 32.568 32.500 0.113 0.000 1.064 854 K HN 0.000 nan 8.250 nan 0.000 0.543