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 2jbj_1_A DATA FIRST_RESID 57 DATA SEQUENCE NMKAFLDELK AENIKKFLYN FTQIPHLAGT EQNFQLAKQI QSQWKEFGLD DATA SEQUENCE SVELAHYDVL LSYPNKTHPN YISIINEDGN EIFNTSLFEP PPPGYENVSD DATA SEQUENCE IVPPFSAFSP QGMPEGDLVY VNYARTEDFF KLERDMKINC SGKIVIARYG DATA SEQUENCE KVFRGNKVKN AQLAGAKGVI LYSDPADYFA PGVKSYPDGW NLPGGGVQRG DATA SEQUENCE NILNLNGAGD PLTPGYPANE YAYRRGIAEA VGLPSIPVHP IGYYDAQKLL DATA SEQUENCE EKMGGSAPPD SSWRGSLKVP YNVGPGFTXX FSTQKVKMHI HSTNEVTRIY DATA SEQUENCE NVIGTLRGAV EPDRYVILGG HRDSWVFGGI DPQSGAAVVH EIVRSFGTLK DATA SEQUENCE KEGWRPRRTI LFASWDAEEF GLLGSTEWAE ENSRLLQERG VAYINADSSI DATA SEQUENCE EGNYTLRVDC TPLMYSLVHN LTKELKSPDE GFEGKSLYES WTKKSPSPEF DATA SEQUENCE SGMPRISKLG SGNDFEVFFQ RLGIASGRAR YTKNXXXXXF SGYPLYHSVY DATA SEQUENCE ETYELVEKFY DPMFKYHLTV AQVRGGMVFE LANSIVLPFD CRDYAVVLRK DATA SEQUENCE YADKIYSISM KHPQEMKTYS VSFDSLFSAV KNFTEIASKF SERLQDFDKS DATA SEQUENCE NPIVLRMMND QLMFLERAFI DPLGLPDRPF YRHVIYAPSS HNKYAGESFP DATA SEQUENCE GIYDALFDIE SKVDPSKAWG EVKRQIYVAA FTVQAAAETL SEVA 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 57 N HA 0.000 nan 4.740 nan 0.000 0.220 57 N C 0.000 175.381 175.510 -0.215 0.000 1.280 57 N CA 0.000 53.113 53.050 0.104 0.000 0.885 57 N CB 0.000 38.520 38.487 0.055 0.000 1.341 58 M N 0.044 119.387 119.600 -0.428 0.000 2.099 58 M HA -0.058 4.423 4.480 0.001 0.000 0.262 58 M C 2.407 178.418 176.300 -0.481 0.000 1.067 58 M CA 2.614 57.320 55.300 -0.990 0.000 1.124 58 M CB -0.441 31.723 32.600 -0.726 0.000 1.353 58 M HN 0.763 nan 8.290 nan 0.000 0.410 59 K N 0.241 120.481 120.400 -0.268 0.000 2.057 59 K HA -0.032 4.288 4.320 0.001 0.000 0.207 59 K C 1.967 178.443 176.600 -0.208 0.000 1.049 59 K CA 1.770 57.941 56.287 -0.193 0.000 0.931 59 K CB -1.765 30.659 32.500 -0.126 0.000 0.714 59 K HN 0.671 nan 8.250 nan 0.000 0.440 60 A N 0.203 122.905 122.820 -0.197 0.000 1.917 60 A HA -0.022 4.298 4.320 0.001 0.000 0.219 60 A C 2.215 179.646 177.584 -0.255 0.000 1.182 60 A CA 1.909 53.828 52.037 -0.198 0.000 0.633 60 A CB -0.609 18.288 19.000 -0.173 0.000 0.819 60 A HN 0.772 nan 8.150 nan 0.000 0.448 61 F N 0.376 120.066 119.950 -0.432 0.000 2.084 61 F HA -0.071 4.456 4.527 0.001 0.000 0.296 61 F C 1.844 177.410 175.800 -0.391 0.000 1.111 61 F CA 1.688 59.399 58.000 -0.481 0.000 1.224 61 F CB -0.368 38.260 39.000 -0.620 0.000 0.991 61 F HN 0.120 nan 8.300 nan 0.000 0.471 62 L N 0.093 120.980 121.223 -0.560 0.000 2.191 62 L HA -0.184 4.156 4.340 0.001 0.000 0.212 62 L C 1.723 178.334 176.870 -0.432 0.000 1.103 62 L CA 1.210 55.733 54.840 -0.528 0.000 0.769 62 L CB -0.698 41.214 42.059 -0.244 0.000 0.908 62 L HN 0.143 nan 8.230 nan 0.000 0.438 63 D N -0.665 119.526 120.400 -0.348 0.000 2.289 63 D HA -0.136 4.504 4.640 0.001 0.000 0.207 63 D C 1.943 178.078 176.300 -0.276 0.000 0.966 63 D CA 0.624 54.470 54.000 -0.256 0.000 0.868 63 D CB 0.259 40.944 40.800 -0.192 0.000 0.943 63 D HN 0.207 nan 8.370 nan 0.000 0.514 64 E N 0.101 120.085 120.200 -0.360 0.000 2.435 64 E HA 0.030 4.381 4.350 0.001 0.000 0.195 64 E C 0.196 176.588 176.600 -0.346 0.000 1.029 64 E CA 0.070 56.273 56.400 -0.327 0.000 0.865 64 E CB -0.016 29.486 29.700 -0.330 0.000 0.833 64 E HN 0.177 nan 8.360 nan 0.000 0.510 65 L N 2.065 123.038 121.223 -0.417 0.000 2.360 65 L HA 0.199 4.539 4.340 0.001 0.000 0.276 65 L C 0.022 176.758 176.870 -0.223 0.000 1.121 65 L CA -0.127 54.513 54.840 -0.334 0.000 0.845 65 L CB 0.577 42.414 42.059 -0.370 0.000 1.143 65 L HN -0.135 nan 8.230 nan 0.000 0.452 66 K N 2.722 123.013 120.400 -0.181 0.000 2.323 66 K HA 0.389 4.710 4.320 0.001 0.000 0.259 66 K C 0.609 177.126 176.600 -0.138 0.000 0.947 66 K CA -0.461 55.729 56.287 -0.162 0.000 0.819 66 K CB 1.856 34.247 32.500 -0.181 0.000 1.109 66 K HN 0.611 nan 8.250 nan 0.000 0.429 67 A N 2.067 124.825 122.820 -0.103 0.000 1.948 67 A HA -0.259 4.061 4.320 0.001 0.000 0.220 67 A C 2.018 179.497 177.584 -0.175 0.000 1.177 67 A CA 2.459 54.460 52.037 -0.059 0.000 0.636 67 A CB -0.396 18.601 19.000 -0.005 0.000 0.815 67 A HN 0.737 nan 8.150 nan 0.000 0.449 68 E N -0.058 120.013 120.200 -0.214 0.000 2.208 68 E HA -0.135 4.216 4.350 0.001 0.000 0.193 68 E C 1.539 177.886 176.600 -0.421 0.000 0.988 68 E CA 1.127 57.345 56.400 -0.303 0.000 0.828 68 E CB -0.985 28.576 29.700 -0.232 0.000 0.763 68 E HN 0.723 nan 8.360 nan 0.000 0.478 69 N N 0.523 118.974 118.700 -0.414 0.000 2.250 69 N HA 0.131 4.872 4.740 0.001 0.000 0.181 69 N C 1.985 177.025 175.510 -0.783 0.000 1.017 69 N CA 1.458 54.106 53.050 -0.669 0.000 0.866 69 N CB -0.281 37.905 38.487 -0.500 0.000 0.985 69 N HN 0.429 nan 8.380 nan 0.000 0.429 70 I N 1.382 121.740 120.570 -0.352 0.000 2.179 70 I HA -0.269 3.901 4.170 0.001 0.000 0.242 70 I C 2.483 178.405 176.117 -0.325 0.000 1.088 70 I CA 1.098 62.335 61.300 -0.105 0.000 1.357 70 I CB -0.194 37.866 38.000 0.101 0.000 1.051 70 I HN 0.104 nan 8.210 nan 0.000 0.409 71 K N 1.210 121.142 120.400 -0.780 0.000 2.001 71 K HA -0.296 4.024 4.320 0.001 0.000 0.214 71 K C 2.520 178.811 176.600 -0.515 0.000 1.050 71 K CA 2.422 57.989 56.287 -1.200 0.000 0.934 71 K CB -0.165 31.491 32.500 -1.405 0.000 0.718 71 K HN -0.017 nan 8.250 nan 0.000 0.443 72 K N 0.010 120.099 120.400 -0.517 0.000 2.044 72 K HA -0.170 4.150 4.320 0.001 0.000 0.210 72 K C 2.068 178.503 176.600 -0.276 0.000 1.049 72 K CA 1.928 57.977 56.287 -0.398 0.000 0.927 72 K CB -0.757 31.443 32.500 -0.500 0.000 0.713 72 K HN 0.348 nan 8.250 nan 0.000 0.443 73 F N 0.385 120.177 119.950 -0.264 0.000 2.186 73 F HA 0.095 4.623 4.527 0.000 0.000 0.299 73 F C 2.198 177.561 175.800 -0.728 0.000 1.090 73 F CA 0.931 58.599 58.000 -0.553 0.000 1.307 73 F CB -1.216 37.535 39.000 -0.415 0.000 1.019 73 F HN 0.144 nan 8.300 nan 0.000 0.489 74 L N -0.856 120.301 121.223 -0.110 0.000 2.056 74 L HA -0.210 4.130 4.340 0.001 0.000 0.207 74 L C 2.352 179.298 176.870 0.126 0.000 1.078 74 L CA 1.627 56.520 54.840 0.088 0.000 0.749 74 L CB -1.173 41.087 42.059 0.336 0.000 0.901 74 L HN 0.190 nan 8.230 nan 0.000 0.433 75 Y N 0.600 120.842 120.300 -0.096 0.000 2.097 75 Y HA -0.334 4.217 4.550 0.001 0.000 0.282 75 Y C 2.666 178.451 175.900 -0.192 0.000 1.152 75 Y CA 2.305 60.145 58.100 -0.434 0.000 1.136 75 Y CB -0.618 37.381 38.460 -0.768 0.000 0.975 75 Y HN 0.445 nan 8.280 nan 0.000 0.498 76 N N -0.261 118.346 118.700 -0.154 0.000 2.192 76 N HA -0.211 4.529 4.740 0.001 0.000 0.188 76 N C 1.236 176.794 175.510 0.080 0.000 1.013 76 N CA 1.571 54.566 53.050 -0.091 0.000 0.863 76 N CB -0.338 38.136 38.487 -0.021 0.000 0.990 76 N HN 0.344 nan 8.380 nan 0.000 0.430 77 F N 0.168 120.114 119.950 -0.007 0.000 2.776 77 F HA 0.139 4.666 4.527 0.001 0.000 0.300 77 F C 2.045 177.943 175.800 0.163 0.000 1.116 77 F CA 0.662 58.661 58.000 -0.002 0.000 1.375 77 F CB -0.553 38.414 39.000 -0.055 0.000 1.109 77 F HN 0.059 nan 8.300 nan 0.000 0.585 78 T N -4.348 110.379 114.554 0.289 0.000 3.085 78 T HA 0.093 4.444 4.350 0.001 0.000 0.264 78 T C 1.388 176.250 174.700 0.270 0.000 1.019 78 T CA -0.051 62.246 62.100 0.328 0.000 0.910 78 T CB 0.228 69.291 68.868 0.324 0.000 1.059 78 T HN -0.071 nan 8.240 nan 0.000 0.542 79 Q N 1.516 121.390 119.800 0.123 0.000 2.187 79 Q HA 0.315 4.655 4.340 0.001 0.000 0.199 79 Q C 1.149 177.312 176.000 0.273 0.000 0.957 79 Q CA 0.656 56.485 55.803 0.043 0.000 0.857 79 Q CB 0.082 28.738 28.738 -0.136 0.000 0.929 79 Q HN 0.843 nan 8.270 nan 0.000 0.453 80 I N -3.509 117.217 120.570 0.259 0.000 3.042 80 I HA 0.568 4.738 4.170 0.001 0.000 0.310 80 I C -2.774 173.249 176.117 -0.156 0.000 1.117 80 I CA -3.073 58.328 61.300 0.168 0.000 1.003 80 I CB 2.347 40.320 38.000 -0.044 0.000 1.228 80 I HN -0.311 nan 8.210 nan 0.000 0.443 81 P HA 0.226 nan 4.420 nan 0.000 0.271 81 P C -1.238 175.778 177.300 -0.473 0.000 1.218 81 P CA 0.204 63.030 63.100 -0.457 0.000 0.780 81 P CB 0.140 31.579 31.700 -0.436 0.000 0.901 82 H N 0.802 119.852 119.070 -0.034 0.000 2.471 82 H HA 0.298 4.855 4.556 0.001 0.000 0.234 82 H C -0.305 175.033 175.328 0.017 0.000 1.388 82 H CA -0.718 55.326 56.048 -0.006 0.000 1.198 82 H CB -0.151 29.598 29.762 -0.022 0.000 1.714 82 H HN 0.205 nan 8.280 nan 0.000 0.536 83 L N 1.732 123.019 121.223 0.107 0.000 2.453 83 L HA 0.377 4.717 4.340 0.001 0.000 0.272 83 L C 0.422 177.402 176.870 0.183 0.000 1.182 83 L CA -0.228 54.704 54.840 0.154 0.000 0.858 83 L CB 0.223 42.415 42.059 0.221 0.000 1.120 83 L HN 0.459 nan 8.230 nan 0.000 0.474 84 A N 3.924 126.861 122.820 0.194 0.000 2.567 84 A HA 0.435 4.755 4.320 0.001 0.000 0.240 84 A C 1.323 178.971 177.584 0.108 0.000 1.053 84 A CA 0.536 52.645 52.037 0.119 0.000 0.755 84 A CB -0.818 18.193 19.000 0.017 0.000 0.978 84 A HN 1.879 nan 8.150 nan 0.000 0.507 85 G N 1.635 110.518 108.800 0.137 0.000 2.195 85 G HA2 -0.154 3.807 3.960 0.001 0.000 0.246 85 G HA3 -0.154 3.807 3.960 0.001 0.000 0.246 85 G C 0.554 175.530 174.900 0.128 0.000 0.984 85 G CA 0.987 46.181 45.100 0.157 0.000 0.633 85 G HN 2.125 nan 8.290 nan 0.000 0.525 86 T N -2.348 112.277 114.554 0.118 0.000 2.927 86 T HA 0.681 5.032 4.350 0.001 0.000 0.281 86 T C 1.019 175.773 174.700 0.090 0.000 0.998 86 T CA 0.322 62.453 62.100 0.051 0.000 1.019 86 T CB 2.204 71.086 68.868 0.023 0.000 1.061 86 T HN -0.044 nan 8.240 nan 0.000 0.518 87 E N 0.539 120.769 120.200 0.049 0.000 2.110 87 E HA -0.179 4.171 4.350 0.001 0.000 0.193 87 E C 2.006 178.685 176.600 0.132 0.000 0.988 87 E CA 1.489 57.944 56.400 0.092 0.000 0.804 87 E CB -0.107 29.616 29.700 0.039 0.000 0.745 87 E HN 0.755 nan 8.360 nan 0.000 0.458 88 Q N 0.288 120.133 119.800 0.075 0.000 2.084 88 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 88 Q C 1.971 178.074 176.000 0.172 0.000 0.978 88 Q CA 1.526 57.374 55.803 0.075 0.000 0.844 88 Q CB -0.274 28.448 28.738 -0.027 0.000 0.898 88 Q HN 0.122 nan 8.270 nan 0.000 0.426 89 N N -0.224 118.581 118.700 0.175 0.000 2.188 89 N HA -0.151 4.589 4.740 0.001 0.000 0.184 89 N C 1.213 176.762 175.510 0.066 0.000 1.018 89 N CA 0.775 53.923 53.050 0.164 0.000 0.858 89 N CB -0.186 38.402 38.487 0.168 0.000 0.989 89 N HN 0.255 nan 8.380 nan 0.000 0.426 90 F N 1.416 121.323 119.950 -0.072 0.000 2.134 90 F HA -0.146 4.381 4.527 0.001 0.000 0.299 90 F C 2.158 177.813 175.800 -0.241 0.000 1.097 90 F CA 1.559 59.404 58.000 -0.258 0.000 1.264 90 F CB -0.420 38.376 39.000 -0.341 0.000 1.001 90 F HN 0.124 nan 8.300 nan 0.000 0.479 91 Q N -0.205 119.438 119.800 -0.260 0.000 2.124 91 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 91 Q C 2.133 177.940 176.000 -0.321 0.000 0.977 91 Q CA 1.625 57.235 55.803 -0.321 0.000 0.850 91 Q CB -0.442 28.246 28.738 -0.084 0.000 0.901 91 Q HN 0.468 nan 8.270 nan 0.000 0.429 92 L N 0.634 121.716 121.223 -0.235 0.000 2.056 92 L HA -0.101 4.240 4.340 0.001 0.000 0.207 92 L C 2.139 178.740 176.870 -0.449 0.000 1.078 92 L CA 2.005 56.647 54.840 -0.331 0.000 0.749 92 L CB -0.935 40.857 42.059 -0.444 0.000 0.901 92 L HN 0.143 nan 8.230 nan 0.000 0.433 93 A N -0.316 122.240 122.820 -0.442 0.000 1.892 93 A HA -0.244 4.077 4.320 0.001 0.000 0.218 93 A C 2.230 179.501 177.584 -0.521 0.000 1.188 93 A CA 2.055 53.812 52.037 -0.467 0.000 0.631 93 A CB -0.586 18.196 19.000 -0.363 0.000 0.822 93 A HN 0.443 nan 8.150 nan 0.000 0.447 94 K N -0.323 119.692 120.400 -0.643 0.000 2.103 94 K HA -0.232 4.089 4.320 0.001 0.000 0.207 94 K C 2.221 178.593 176.600 -0.380 0.000 1.048 94 K CA 1.784 57.751 56.287 -0.533 0.000 0.930 94 K CB -0.504 31.627 32.500 -0.615 0.000 0.716 94 K HN 0.832 nan 8.250 nan 0.000 0.444 95 Q N 0.723 120.306 119.800 -0.362 0.000 2.016 95 Q HA -0.110 4.230 4.340 0.001 0.000 0.200 95 Q C 2.071 177.872 176.000 -0.333 0.000 0.978 95 Q CA 0.942 56.579 55.803 -0.277 0.000 0.833 95 Q CB 0.093 28.704 28.738 -0.211 0.000 0.895 95 Q HN 0.127 nan 8.270 nan 0.000 0.427 96 I N 1.386 121.672 120.570 -0.474 0.000 2.194 96 I HA -0.331 3.839 4.170 0.001 0.000 0.246 96 I C 2.599 178.291 176.117 -0.708 0.000 1.093 96 I CA 1.848 62.740 61.300 -0.680 0.000 1.355 96 I CB -1.468 35.936 38.000 -0.994 0.000 1.046 96 I HN 0.533 nan 8.210 nan 0.000 0.413 97 Q N 1.066 120.551 119.800 -0.525 0.000 2.050 97 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 97 Q C 2.347 178.216 176.000 -0.218 0.000 0.980 97 Q CA 2.420 58.020 55.803 -0.339 0.000 0.840 97 Q CB 0.109 28.698 28.738 -0.248 0.000 0.898 97 Q HN 0.434 nan 8.270 nan 0.000 0.424 98 S N 0.783 116.348 115.700 -0.225 0.000 2.368 98 S HA -0.197 4.274 4.470 0.001 0.000 0.225 98 S C 1.873 176.340 174.600 -0.220 0.000 1.030 98 S CA 1.572 59.668 58.200 -0.172 0.000 0.999 98 S CB -0.218 62.891 63.200 -0.152 0.000 0.844 98 S HN 0.456 nan 8.310 nan 0.000 0.459 99 Q N -0.569 119.035 119.800 -0.326 0.000 2.083 99 Q HA -0.077 4.263 4.340 0.001 0.000 0.198 99 Q C 1.938 177.435 176.000 -0.839 0.000 0.969 99 Q CA 1.083 56.521 55.803 -0.607 0.000 0.838 99 Q CB -0.188 28.190 28.738 -0.601 0.000 0.900 99 Q HN 0.558 nan 8.270 nan 0.000 0.436 100 W N 1.599 122.498 121.300 -0.667 0.000 2.342 100 W HA -0.117 4.544 4.660 0.001 0.000 0.297 100 W C 1.983 178.345 176.519 -0.261 0.000 1.213 100 W CA 0.715 57.790 57.345 -0.449 0.000 1.251 100 W CB -0.457 28.866 29.460 -0.229 0.000 1.136 100 W HN 0.127 nan 8.180 nan 0.000 0.526 101 K N 0.167 120.570 120.400 0.005 0.000 2.002 101 K HA -0.166 4.155 4.320 0.001 0.000 0.209 101 K C 2.086 178.683 176.600 -0.005 0.000 1.048 101 K CA 2.287 58.579 56.287 0.008 0.000 0.930 101 K CB -0.268 32.225 32.500 -0.012 0.000 0.714 101 K HN -0.074 nan 8.250 nan 0.000 0.438 102 E N 0.148 120.302 120.200 -0.077 0.000 2.153 102 E HA -0.160 4.191 4.350 0.001 0.000 0.194 102 E C 1.856 178.533 176.600 0.128 0.000 0.988 102 E CA 1.145 57.542 56.400 -0.005 0.000 0.811 102 E CB -0.605 29.076 29.700 -0.031 0.000 0.746 102 E HN 0.335 nan 8.360 nan 0.000 0.466 103 F N 0.060 120.018 119.950 0.012 0.000 2.408 103 F HA 0.207 4.734 4.527 0.001 0.000 0.300 103 F C 2.284 178.081 175.800 -0.005 0.000 1.090 103 F CA 0.902 58.889 58.000 -0.021 0.000 1.427 103 F CB -0.832 38.110 39.000 -0.096 0.000 1.070 103 F HN 0.391 nan 8.300 nan 0.000 0.549 104 G N -0.796 108.112 108.800 0.179 0.000 2.260 104 G HA2 -0.187 3.774 3.960 0.001 0.000 0.179 104 G HA3 -0.187 3.774 3.960 0.001 0.000 0.179 104 G C 0.269 175.232 174.900 0.104 0.000 1.002 104 G CA -0.298 44.880 45.100 0.130 0.000 0.677 104 G HN 0.163 nan 8.290 nan 0.000 0.486 105 L N 1.645 122.919 121.223 0.085 0.000 2.506 105 L HA 0.153 4.493 4.340 0.001 0.000 0.281 105 L C 1.381 178.298 176.870 0.079 0.000 1.228 105 L CA 0.131 55.014 54.840 0.072 0.000 0.850 105 L CB 0.352 42.440 42.059 0.048 0.000 1.110 105 L HN 0.139 nan 8.230 nan 0.000 0.496 106 D N 0.639 121.083 120.400 0.073 0.000 2.178 106 D HA -0.068 4.573 4.640 0.001 0.000 0.202 106 D C 0.587 176.925 176.300 0.063 0.000 0.974 106 D CA 1.237 55.273 54.000 0.060 0.000 0.841 106 D CB 0.292 41.120 40.800 0.046 0.000 0.953 106 D HN 0.632 nan 8.370 nan 0.000 0.478 107 S N -0.760 114.985 115.700 0.075 0.000 2.570 107 S HA 0.582 5.052 4.470 0.001 0.000 0.270 107 S C -0.915 173.750 174.600 0.108 0.000 1.149 107 S CA -0.929 57.319 58.200 0.080 0.000 0.837 107 S CB 2.832 66.076 63.200 0.074 0.000 1.124 107 S HN -0.127 nan 8.310 nan 0.000 0.465 108 V N 1.484 121.462 119.914 0.107 0.000 2.610 108 V HA 0.605 4.725 4.120 0.001 0.000 0.298 108 V C -1.186 174.965 176.094 0.094 0.000 1.067 108 V CA -0.516 61.864 62.300 0.134 0.000 0.894 108 V CB 1.518 33.433 31.823 0.153 0.000 1.015 108 V HN 0.919 nan 8.190 nan 0.000 0.432 109 E N 3.457 123.721 120.200 0.106 0.000 2.299 109 E HA 0.644 4.994 4.350 0.001 0.000 0.265 109 E C -0.997 175.660 176.600 0.095 0.000 0.911 109 E CA -0.797 55.664 56.400 0.100 0.000 0.789 109 E CB 3.030 32.807 29.700 0.130 0.000 1.246 109 E HN 0.490 nan 8.360 nan 0.000 0.427 110 L N 1.115 122.409 121.223 0.118 0.000 2.289 110 L HA 0.571 4.912 4.340 0.001 0.000 0.285 110 L C -0.068 176.922 176.870 0.200 0.000 1.049 110 L CA -0.814 54.131 54.840 0.174 0.000 0.804 110 L CB 1.307 43.520 42.059 0.256 0.000 1.195 110 L HN 0.454 nan 8.230 nan 0.000 0.428 111 A N 3.726 126.664 122.820 0.196 0.000 2.318 111 A HA 0.614 4.934 4.320 0.001 0.000 0.317 111 A C -0.682 176.850 177.584 -0.086 0.000 1.159 111 A CA -0.576 51.494 52.037 0.054 0.000 0.799 111 A CB 0.616 19.817 19.000 0.334 0.000 1.194 111 A HN 0.860 nan 8.150 nan 0.000 0.479 112 H N 0.248 119.070 119.070 -0.414 0.000 2.731 112 H HA 0.806 5.362 4.556 0.001 0.000 0.368 112 H C -1.975 172.777 175.328 -0.961 0.000 1.168 112 H CA -0.762 54.951 56.048 -0.559 0.000 1.181 112 H CB 1.423 30.826 29.762 -0.598 0.000 1.743 112 H HN 0.534 nan 8.280 nan 0.000 0.547 113 Y N -0.496 119.795 120.300 -0.015 0.000 2.544 113 Y HA 0.196 4.746 4.550 0.000 0.000 0.342 113 Y C -0.817 175.060 175.900 -0.039 0.000 1.062 113 Y CA -1.054 57.028 58.100 -0.030 0.000 1.023 113 Y CB 2.112 40.552 38.460 -0.033 0.000 1.308 113 Y HN 0.584 nan 8.280 nan 0.000 0.457 114 D N 2.983 123.436 120.400 0.089 0.000 2.427 114 D HA 0.433 5.073 4.640 0.001 0.000 0.226 114 D C -0.677 175.637 176.300 0.024 0.000 1.076 114 D CA -0.081 53.934 54.000 0.025 0.000 0.849 114 D CB 1.653 42.452 40.800 -0.001 0.000 1.052 114 D HN 0.383 nan 8.370 nan 0.000 0.515 115 V N -0.271 119.651 119.914 0.013 0.000 2.864 115 V HA 0.501 4.621 4.120 0.001 0.000 0.314 115 V C -0.214 175.882 176.094 0.003 0.000 1.073 115 V CA -1.221 61.080 62.300 0.002 0.000 0.956 115 V CB 2.110 33.932 31.823 -0.002 0.000 1.023 115 V HN 0.246 nan 8.190 nan 0.000 0.435 116 L N 3.607 124.852 121.223 0.036 0.000 2.500 116 L HA 0.402 4.743 4.340 0.001 0.000 0.272 116 L C -0.192 176.788 176.870 0.184 0.000 1.149 116 L CA 0.884 55.791 54.840 0.112 0.000 0.897 116 L CB -0.566 41.589 42.059 0.160 0.000 1.178 116 L HN 0.689 nan 8.230 nan 0.000 0.473 117 L N 3.150 124.344 121.223 -0.049 0.000 2.341 117 L HA 0.728 5.068 4.340 0.001 0.000 0.267 117 L C 0.009 176.544 176.870 -0.559 0.000 1.022 117 L CA -0.842 53.733 54.840 -0.441 0.000 0.844 117 L CB 1.714 43.176 42.059 -0.995 0.000 1.436 117 L HN 0.604 nan 8.230 nan 0.000 0.483 118 S N -0.901 114.299 115.700 -0.833 0.000 2.536 118 S HA 0.708 5.178 4.470 0.001 0.000 0.271 118 S C -1.860 172.549 174.600 -0.318 0.000 1.134 118 S CA -0.405 57.503 58.200 -0.487 0.000 0.897 118 S CB 1.154 63.992 63.200 -0.604 0.000 1.094 118 S HN 0.380 nan 8.310 nan 0.000 0.473 119 Y N 1.914 122.221 120.300 0.013 0.000 2.479 119 Y HA 0.520 5.070 4.550 0.001 0.000 0.338 119 Y C -2.493 173.200 175.900 -0.345 0.000 1.055 119 Y CA -1.953 56.011 58.100 -0.226 0.000 1.023 119 Y CB 1.893 40.281 38.460 -0.120 0.000 1.287 119 Y HN 0.483 nan 8.280 nan 0.000 0.447 120 P HA -0.017 nan 4.420 nan 0.000 0.269 120 P C -0.265 176.998 177.300 -0.061 0.000 1.209 120 P CA -0.133 62.832 63.100 -0.225 0.000 0.776 120 P CB 0.693 32.231 31.700 -0.269 0.000 0.876 121 N N 1.909 120.620 118.700 0.018 0.000 2.438 121 N HA -0.052 4.689 4.740 0.001 0.000 0.267 121 N C 1.232 176.743 175.510 0.003 0.000 1.222 121 N CA 0.272 53.337 53.050 0.025 0.000 0.930 121 N CB 0.359 38.885 38.487 0.066 0.000 1.083 121 N HN 0.015 nan 8.380 nan 0.000 0.476 122 K N 1.722 122.105 120.400 -0.027 0.000 2.052 122 K HA -0.155 4.165 4.320 0.001 0.000 0.215 122 K C 1.741 178.327 176.600 -0.023 0.000 1.053 122 K CA 2.339 58.605 56.287 -0.036 0.000 0.934 122 K CB -1.010 31.458 32.500 -0.054 0.000 0.717 122 K HN 0.906 nan 8.250 nan 0.000 0.450 123 T N -3.743 110.797 114.554 -0.022 0.000 3.086 123 T HA 0.051 4.402 4.350 0.001 0.000 0.250 123 T C 0.311 174.997 174.700 -0.025 0.000 1.074 123 T CA 0.337 62.422 62.100 -0.025 0.000 0.988 123 T CB -0.185 68.664 68.868 -0.031 0.000 0.988 123 T HN 0.352 nan 8.240 nan 0.000 0.530 124 H N 1.318 120.382 119.070 -0.010 0.000 2.488 124 H HA 0.565 5.121 4.556 0.001 0.000 0.237 124 H C -3.178 172.208 175.328 0.097 0.000 1.395 124 H CA -2.075 53.958 56.048 -0.025 0.000 1.491 124 H CB 0.629 30.300 29.762 -0.151 0.000 1.567 124 H HN 0.348 nan 8.280 nan 0.000 0.508 125 P HA 0.215 nan 4.420 nan 0.000 0.274 125 P C -0.232 177.239 177.300 0.285 0.000 1.246 125 P CA -0.417 62.785 63.100 0.169 0.000 0.795 125 P CB 0.726 32.497 31.700 0.118 0.000 1.006 126 N N 0.903 119.727 118.700 0.207 0.000 2.498 126 N HA 0.382 5.122 4.740 0.001 0.000 0.287 126 N C -0.483 175.060 175.510 0.055 0.000 1.097 126 N CA -0.017 53.069 53.050 0.061 0.000 0.973 126 N CB 0.705 39.137 38.487 -0.091 0.000 1.153 126 N HN 0.561 nan 8.380 nan 0.000 0.472 127 Y N -1.822 118.344 120.300 -0.222 0.000 2.750 127 Y HA 0.626 5.176 4.550 0.000 0.000 0.335 127 Y C -1.689 174.213 175.900 0.003 0.000 1.252 127 Y CA -1.278 56.707 58.100 -0.193 0.000 1.064 127 Y CB 0.798 39.185 38.460 -0.123 0.000 1.321 127 Y HN 0.264 nan 8.280 nan 0.000 0.451 128 I N 1.855 122.439 120.570 0.022 0.000 2.530 128 I HA 0.611 4.781 4.170 0.001 0.000 0.297 128 I C -0.629 175.577 176.117 0.148 0.000 1.011 128 I CA -0.739 60.577 61.300 0.026 0.000 1.107 128 I CB 2.212 40.256 38.000 0.074 0.000 1.285 128 I HN 0.627 nan 8.210 nan 0.000 0.436 129 S N 5.246 121.048 115.700 0.171 0.000 2.513 129 S HA 0.612 5.083 4.470 0.001 0.000 0.299 129 S C -0.382 174.343 174.600 0.208 0.000 1.087 129 S CA -0.560 57.775 58.200 0.225 0.000 1.012 129 S CB 1.562 64.975 63.200 0.356 0.000 1.044 129 S HN 0.324 nan 8.310 nan 0.000 0.485 130 I N 3.963 124.681 120.570 0.247 0.000 2.396 130 I HA 0.270 4.440 4.170 0.001 0.000 0.289 130 I C 0.244 176.460 176.117 0.164 0.000 1.056 130 I CA -0.145 61.279 61.300 0.206 0.000 1.365 130 I CB 0.181 38.258 38.000 0.128 0.000 1.407 130 I HN 0.537 nan 8.210 nan 0.000 0.509 131 I N 3.666 124.329 120.570 0.155 0.000 2.793 131 I HA 0.574 4.745 4.170 0.001 0.000 0.313 131 I C -0.237 175.952 176.117 0.121 0.000 0.998 131 I CA -0.904 60.474 61.300 0.131 0.000 1.140 131 I CB 1.363 39.434 38.000 0.120 0.000 1.327 131 I HN 0.516 nan 8.210 nan 0.000 0.491 132 N N 1.042 119.803 118.700 0.102 0.000 2.604 132 N HA 0.360 5.100 4.740 0.001 0.000 0.297 132 N C 0.854 176.418 175.510 0.090 0.000 1.266 132 N CA -0.056 53.053 53.050 0.097 0.000 0.961 132 N CB -0.036 38.500 38.487 0.081 0.000 1.166 132 N HN 0.704 nan 8.380 nan 0.000 0.601 133 E N -1.525 118.725 120.200 0.083 0.000 2.187 133 E HA -0.205 4.145 4.350 0.001 0.000 0.199 133 E C 1.612 178.246 176.600 0.058 0.000 1.004 133 E CA 2.408 58.850 56.400 0.069 0.000 0.813 133 E CB -1.978 nan 29.700 nan 0.000 0.736 133 E HN 0.819 nan 8.360 nan 0.000 0.468 134 D N -2.027 118.406 120.400 0.055 0.000 2.301 134 D HA 0.367 5.008 4.640 0.001 0.000 0.206 134 D C 1.751 178.083 176.300 0.052 0.000 0.979 134 D CA 1.303 55.332 54.000 0.048 0.000 0.874 134 D CB 0.038 nan 40.800 nan 0.000 0.968 134 D HN 1.352 nan 8.370 nan 0.000 0.510 135 G N -2.010 106.828 108.800 0.063 0.000 2.148 135 G HA2 0.288 4.248 3.960 0.001 0.000 0.157 135 G HA3 0.288 4.248 3.960 0.001 0.000 0.157 135 G C 0.245 175.190 174.900 0.075 0.000 1.012 135 G CA 0.716 45.858 45.100 0.070 0.000 0.677 135 G HN 1.212 nan 8.290 nan 0.000 0.506 136 N N 0.697 119.439 118.700 0.070 0.000 2.497 136 N HA 0.538 5.278 4.740 0.001 0.000 0.271 136 N C 0.179 175.741 175.510 0.086 0.000 1.142 136 N CA 0.397 53.488 53.050 0.068 0.000 0.965 136 N CB 0.314 nan 38.487 nan 0.000 1.077 136 N HN 0.517 nan 8.380 nan 0.000 0.462 137 E N 1.886 122.140 120.200 0.091 0.000 1.865 137 E HA 0.096 4.446 4.350 0.001 0.000 0.269 137 E C 0.607 177.263 176.600 0.093 0.000 1.177 137 E CA -0.512 55.956 56.400 0.112 0.000 0.932 137 E CB 0.204 29.989 29.700 0.142 0.000 1.066 137 E HN 0.599 nan 8.360 nan 0.000 0.405 138 I N 2.448 123.083 120.570 0.108 0.000 2.142 138 I HA -0.172 3.999 4.170 0.001 0.000 0.240 138 I C 0.871 177.093 176.117 0.174 0.000 1.078 138 I CA 1.268 62.635 61.300 0.112 0.000 1.343 138 I CB -0.653 37.403 38.000 0.093 0.000 1.046 138 I HN 0.345 nan 8.210 nan 0.000 0.405 139 F N 1.412 121.375 119.950 0.022 0.000 2.532 139 F HA 0.536 5.064 4.527 0.001 0.000 0.321 139 F C -0.507 175.343 175.800 0.083 0.000 1.089 139 F CA -1.133 56.880 58.000 0.022 0.000 0.926 139 F CB 1.098 40.088 39.000 -0.016 0.000 1.168 139 F HN -0.094 nan 8.300 nan 0.000 0.459 140 N N 2.489 120.601 118.700 -0.979 0.000 2.352 140 N HA 0.257 4.997 4.740 0.001 0.000 0.291 140 N C -0.868 174.022 175.510 -1.033 0.000 1.040 140 N CA -0.408 52.237 53.050 -0.674 0.000 0.864 140 N CB 1.994 40.245 38.487 -0.393 0.000 1.440 140 N HN 0.720 nan 8.380 nan 0.000 0.483 141 T N -0.866 113.354 114.554 -0.558 0.000 2.802 141 T HA 0.209 4.559 4.350 0.001 0.000 0.305 141 T C 0.841 175.470 174.700 -0.118 0.000 1.053 141 T CA -0.356 61.607 62.100 -0.228 0.000 1.058 141 T CB 0.375 69.288 68.868 0.074 0.000 0.988 141 T HN 0.227 nan 8.240 nan 0.000 0.539 142 S N 0.453 116.127 115.700 -0.043 0.000 2.559 142 S HA 0.068 4.538 4.470 0.001 0.000 0.282 142 S C 1.345 175.936 174.600 -0.014 0.000 1.336 142 S CA -0.553 57.591 58.200 -0.093 0.000 1.037 142 S CB -0.180 62.952 63.200 -0.114 0.000 0.853 142 S HN 0.603 nan 8.310 nan 0.000 0.523 143 L N 1.975 123.177 121.223 -0.036 0.000 2.477 143 L HA 0.276 4.616 4.340 0.001 0.000 0.220 143 L C -0.096 176.965 176.870 0.319 0.000 1.106 143 L CA 0.325 55.267 54.840 0.169 0.000 0.851 143 L CB -0.206 41.995 42.059 0.236 0.000 0.994 143 L HN 0.699 nan 8.230 nan 0.000 0.462 144 F N -2.913 117.075 119.950 0.065 0.000 2.773 144 F HA 0.474 5.001 4.527 0.000 0.000 0.314 144 F C -0.731 175.106 175.800 0.062 0.000 1.160 144 F CA -1.608 56.427 58.000 0.058 0.000 0.920 144 F CB 0.722 39.749 39.000 0.045 0.000 1.323 144 F HN -0.265 nan 8.300 nan 0.000 0.457 145 E N 1.681 121.958 120.200 0.129 0.000 2.331 145 E HA 0.330 4.681 4.350 0.001 0.000 0.272 145 E C -2.576 174.152 176.600 0.213 0.000 1.036 145 E CA -1.840 54.587 56.400 0.045 0.000 0.864 145 E CB 0.671 30.349 29.700 -0.036 0.000 1.035 145 E HN 0.282 nan 8.360 nan 0.000 0.408 146 P HA -0.001 nan 4.420 nan 0.000 0.257 146 P C -2.394 175.132 177.300 0.377 0.000 1.189 146 P CA -0.694 62.609 63.100 0.340 0.000 0.780 146 P CB -0.239 31.638 31.700 0.295 0.000 0.772 147 P HA 0.077 nan 4.420 nan 0.000 0.266 147 P C -2.265 175.267 177.300 0.386 0.000 1.195 147 P CA -1.179 62.097 63.100 0.294 0.000 0.768 147 P CB -0.631 31.232 31.700 0.272 0.000 0.838 148 P HA 0.175 nan 4.420 nan 0.000 0.271 148 P C -2.507 175.075 177.300 0.469 0.000 1.233 148 P CA -1.602 61.834 63.100 0.561 0.000 0.789 148 P CB -1.158 30.907 31.700 0.609 0.000 0.951 149 P HA -0.026 nan 4.420 nan 0.000 0.257 149 P C 1.087 178.542 177.300 0.258 0.000 1.162 149 P CA 1.839 65.101 63.100 0.270 0.000 0.762 149 P CB -0.593 31.225 31.700 0.196 0.000 0.753 150 G N 2.221 111.110 108.800 0.147 0.000 2.195 150 G HA2 -0.316 3.644 3.960 0.001 0.000 0.246 150 G HA3 -0.316 3.644 3.960 0.001 0.000 0.246 150 G C 0.428 175.261 174.900 -0.112 0.000 0.984 150 G CA -0.134 44.962 45.100 -0.007 0.000 0.633 150 G HN 0.527 nan 8.290 nan 0.000 0.525 151 Y N -0.048 120.303 120.300 0.084 0.000 2.527 151 Y HA 0.465 5.015 4.550 0.000 0.000 0.247 151 Y C 2.276 178.249 175.900 0.122 0.000 1.138 151 Y CA 1.201 59.349 58.100 0.080 0.000 1.228 151 Y CB 0.181 38.672 38.460 0.052 0.000 1.252 151 Y HN 0.348 nan 8.280 nan 0.000 0.531 152 E N 0.975 121.328 120.200 0.255 0.000 2.394 152 E HA -0.308 4.042 4.350 0.001 0.000 0.202 152 E C 1.489 178.172 176.600 0.138 0.000 1.029 152 E CA 1.641 58.152 56.400 0.186 0.000 0.855 152 E CB -1.477 nan 29.700 nan 0.000 0.770 152 E HN 0.736 nan 8.360 nan 0.000 0.527 153 N N -0.384 118.398 118.700 0.137 0.000 2.376 153 N HA 0.348 5.088 4.740 0.001 0.000 0.177 153 N C 1.733 177.314 175.510 0.118 0.000 1.024 153 N CA 0.829 53.936 53.050 0.094 0.000 0.893 153 N CB -0.684 nan 38.487 nan 0.000 0.980 153 N HN 1.325 nan 8.380 nan 0.000 0.439 154 V N 1.621 121.661 119.914 0.209 0.000 3.084 154 V HA 0.033 4.153 4.120 0.001 0.000 0.286 154 V C 1.785 177.946 176.094 0.112 0.000 1.236 154 V CA 1.447 63.888 62.300 0.236 0.000 1.329 154 V CB -1.724 nan 31.823 nan 0.000 0.795 154 V HN 0.702 nan 8.190 nan 0.000 0.435 155 S N 3.168 118.917 115.700 0.081 0.000 2.414 155 S HA -0.134 4.337 4.470 0.001 0.000 0.225 155 S C 0.755 175.352 174.600 -0.004 0.000 1.041 155 S CA 2.120 60.335 58.200 0.026 0.000 1.114 155 S CB -0.045 63.164 63.200 0.015 0.000 1.064 155 S HN 0.980 nan 8.310 nan 0.000 0.420 156 D N 0.157 120.545 120.400 -0.020 0.000 2.613 156 D HA 0.386 5.026 4.640 0.001 0.000 0.230 156 D C -1.125 175.144 176.300 -0.052 0.000 1.365 156 D CA -0.204 53.777 54.000 -0.032 0.000 0.976 156 D CB 1.150 41.927 40.800 -0.039 0.000 1.415 156 D HN 0.377 nan 8.370 nan 0.000 0.589 157 I N 1.796 122.338 120.570 -0.046 0.000 2.581 157 I HA -0.003 4.167 4.170 0.001 0.000 0.285 157 I C 0.981 177.093 176.117 -0.009 0.000 1.129 157 I CA -0.180 61.078 61.300 -0.070 0.000 1.397 157 I CB 0.843 38.827 38.000 -0.027 0.000 1.399 157 I HN 0.038 nan 8.210 nan 0.000 0.537 158 V N 10.348 130.279 119.914 0.027 0.000 2.673 158 V HA 0.130 4.250 4.120 0.001 0.000 0.303 158 V C -1.578 174.576 176.094 0.100 0.000 1.046 158 V CA -1.129 61.218 62.300 0.078 0.000 1.126 158 V CB 0.858 32.800 31.823 0.199 0.000 0.934 158 V HN 0.607 nan 8.190 nan 0.000 0.487 159 P HA 0.295 nan 4.420 nan 0.000 0.274 159 P C -2.827 174.584 177.300 0.186 0.000 1.237 159 P CA -1.831 61.356 63.100 0.145 0.000 0.793 159 P CB -0.078 31.720 31.700 0.163 0.000 0.977 160 P HA 0.076 nan 4.420 nan 0.000 0.262 160 P C -0.682 176.702 177.300 0.140 0.000 1.182 160 P CA 0.904 64.029 63.100 0.041 0.000 0.761 160 P CB -0.233 31.442 31.700 -0.042 0.000 0.795 161 F N -0.887 118.909 119.950 -0.257 0.000 2.719 161 F HA 0.543 5.070 4.527 0.001 0.000 0.309 161 F C -1.254 174.373 175.800 -0.287 0.000 1.138 161 F CA -1.000 56.887 58.000 -0.188 0.000 0.943 161 F CB 0.889 39.883 39.000 -0.011 0.000 1.304 161 F HN -0.054 nan 8.300 nan 0.000 0.445 162 S N 2.272 117.784 115.700 -0.314 0.000 2.404 162 S HA 0.667 5.138 4.470 0.001 0.000 0.309 162 S C 0.060 174.421 174.600 -0.397 0.000 1.076 162 S CA -0.374 57.577 58.200 -0.415 0.000 1.095 162 S CB 0.791 63.895 63.200 -0.160 0.000 0.972 162 S HN 0.917 nan 8.310 nan 0.000 0.484 163 A N 2.514 124.889 122.820 -0.741 0.000 2.511 163 A HA 0.526 4.846 4.320 0.001 0.000 0.242 163 A C 0.381 178.001 177.584 0.059 0.000 1.069 163 A CA 0.129 51.943 52.037 -0.373 0.000 0.763 163 A CB -0.815 17.961 19.000 -0.374 0.000 1.001 163 A HN 0.997 nan 8.150 nan 0.000 0.498 164 F N 0.208 120.260 119.950 0.170 0.000 2.656 164 F HA -0.211 4.317 4.527 0.001 0.000 0.381 164 F C 1.158 177.007 175.800 0.081 0.000 0.603 164 F CA 0.844 58.918 58.000 0.124 0.000 1.335 164 F CB -2.046 37.014 39.000 0.099 0.000 1.836 164 F HN 0.604 nan 8.300 nan 0.000 0.290 165 S N 2.956 118.767 115.700 0.186 0.000 2.642 165 S HA 0.141 4.612 4.470 0.001 0.000 0.308 165 S C -1.130 173.537 174.600 0.111 0.000 1.255 165 S CA -0.717 57.557 58.200 0.123 0.000 1.057 165 S CB 0.503 63.765 63.200 0.103 0.000 0.785 165 S HN 0.171 nan 8.310 nan 0.000 0.500 166 P HA 0.119 nan 4.420 nan 0.000 0.274 166 P C -0.683 176.635 177.300 0.029 0.000 1.256 166 P CA -0.411 62.725 63.100 0.060 0.000 0.795 166 P CB 0.453 32.177 31.700 0.040 0.000 1.038 167 Q N -0.611 119.203 119.800 0.023 0.000 2.354 167 Q HA 0.566 4.906 4.340 0.001 0.000 0.244 167 Q C 0.385 176.358 176.000 -0.045 0.000 0.969 167 Q CA 0.313 56.107 55.803 -0.015 0.000 0.885 167 Q CB 0.672 29.433 28.738 0.039 0.000 1.241 167 Q HN 0.769 nan 8.270 nan 0.000 0.461 168 G N 0.761 109.487 108.800 -0.123 0.000 2.355 168 G HA2 0.340 4.300 3.960 0.001 0.000 0.296 168 G HA3 0.340 4.300 3.960 0.001 0.000 0.296 168 G C -1.014 173.778 174.900 -0.179 0.000 1.507 168 G CA -0.776 44.260 45.100 -0.107 0.000 0.823 168 G HN 0.469 nan 8.290 nan 0.000 0.569 169 M N 1.686 121.208 119.600 -0.130 0.000 3.404 169 M HA 0.210 4.690 4.480 0.001 0.000 0.398 169 M C -2.627 173.572 176.300 -0.168 0.000 1.599 169 M CA -0.929 54.263 55.300 -0.180 0.000 0.696 169 M CB 1.453 34.014 32.600 -0.064 0.000 1.427 169 M HN 0.373 nan 8.290 nan 0.000 0.502 170 P HA 0.296 nan 4.420 nan 0.000 0.276 170 P C -1.122 176.106 177.300 -0.120 0.000 1.244 170 P CA 0.119 63.157 63.100 -0.104 0.000 0.801 170 P CB 0.933 32.589 31.700 -0.074 0.000 1.006 171 E N -0.026 120.132 120.200 -0.071 0.000 2.408 171 E HA 0.790 5.141 4.350 0.001 0.000 0.275 171 E C -0.533 176.054 176.600 -0.022 0.000 0.935 171 E CA -1.167 55.205 56.400 -0.048 0.000 0.775 171 E CB 1.838 31.519 29.700 -0.031 0.000 1.277 171 E HN 0.639 nan 8.360 nan 0.000 0.455 172 G N 0.848 109.641 108.800 -0.013 0.000 2.323 172 G HA2 0.144 4.105 3.960 0.001 0.000 0.291 172 G HA3 0.144 4.105 3.960 0.001 0.000 0.291 172 G C -1.697 173.173 174.900 -0.050 0.000 1.278 172 G CA -0.826 44.262 45.100 -0.019 0.000 0.860 172 G HN 0.488 nan 8.290 nan 0.000 0.504 173 D N -0.156 120.199 120.400 -0.075 0.000 2.283 173 D HA 0.517 5.157 4.640 0.001 0.000 0.248 173 D C -0.403 175.807 176.300 -0.150 0.000 1.072 173 D CA -0.125 53.778 54.000 -0.162 0.000 0.929 173 D CB 2.270 42.993 40.800 -0.128 0.000 1.182 173 D HN 0.110 nan 8.370 nan 0.000 0.433 174 L N 1.601 122.675 121.223 -0.248 0.000 2.325 174 L HA 0.329 4.669 4.340 0.001 0.000 0.279 174 L C -0.506 176.329 176.870 -0.057 0.000 1.054 174 L CA -0.600 54.161 54.840 -0.132 0.000 0.804 174 L CB 1.673 43.630 42.059 -0.169 0.000 1.200 174 L HN 0.088 nan 8.230 nan 0.000 0.436 175 V N 4.323 124.255 119.914 0.030 0.000 2.525 175 V HA 0.269 4.389 4.120 0.001 0.000 0.299 175 V C -1.028 175.155 176.094 0.148 0.000 1.034 175 V CA -0.908 61.443 62.300 0.084 0.000 0.863 175 V CB 1.446 33.312 31.823 0.071 0.000 0.999 175 V HN 0.564 nan 8.190 nan 0.000 0.423 176 Y N 5.525 125.871 120.300 0.077 0.000 2.316 176 Y HA 0.510 5.061 4.550 0.000 0.000 0.331 176 Y C 0.695 176.658 175.900 0.105 0.000 1.083 176 Y CA -0.426 57.735 58.100 0.103 0.000 1.206 176 Y CB 1.790 40.354 38.460 0.173 0.000 1.195 176 Y HN 0.454 nan 8.280 nan 0.000 0.497 177 V N 2.761 122.255 119.914 -0.700 0.000 3.070 177 V HA 0.314 4.435 4.120 0.001 0.000 0.345 177 V C 0.596 175.863 176.094 -1.379 0.000 1.403 177 V CA 0.193 61.987 62.300 -0.843 0.000 1.155 177 V CB -1.053 30.278 31.823 -0.820 0.000 1.140 177 V HN 0.969 nan 8.190 nan 0.000 0.505 178 N N 1.569 119.108 118.700 -1.935 0.000 1.347 178 N HA -0.328 4.412 4.740 0.001 0.000 0.148 178 N C 0.323 175.238 175.510 -0.993 0.000 0.780 178 N CA 2.639 54.724 53.050 -1.608 0.000 1.015 178 N CB -1.377 35.870 38.487 -2.067 0.000 1.262 178 N HN 0.447 nan 8.380 nan 0.000 0.496 179 Y N 1.393 121.329 120.300 -0.608 0.000 2.466 179 Y HA 0.523 5.073 4.550 0.001 0.000 0.272 179 Y C 1.605 177.333 175.900 -0.287 0.000 1.169 179 Y CA 1.084 58.975 58.100 -0.348 0.000 1.285 179 Y CB -0.443 37.870 38.460 -0.245 0.000 1.078 179 Y HN 0.625 nan 8.280 nan 0.000 0.523 180 A N 0.282 122.937 122.820 -0.276 0.000 2.826 180 A HA -0.308 4.012 4.320 0.001 0.000 0.274 180 A C 0.819 178.476 177.584 0.122 0.000 1.443 180 A CA 0.675 52.639 52.037 -0.121 0.000 0.833 180 A CB -2.104 16.921 19.000 0.041 0.000 1.023 180 A HN 0.513 nan 8.150 nan 0.000 0.600 181 R N -0.815 119.700 120.500 0.024 0.000 2.774 181 R HA 0.333 4.673 4.340 0.001 0.000 0.269 181 R C 1.703 178.061 176.300 0.096 0.000 1.068 181 R CA 0.275 56.403 56.100 0.047 0.000 1.180 181 R CB 0.100 30.400 30.300 0.001 0.000 1.077 181 R HN 0.409 nan 8.270 nan 0.000 0.513 182 T N 1.467 116.023 114.554 0.002 0.000 2.665 182 T HA -0.207 4.143 4.350 0.001 0.000 0.268 182 T C 1.656 176.169 174.700 -0.311 0.000 1.035 182 T CA 1.913 63.897 62.100 -0.193 0.000 1.151 182 T CB -0.165 68.530 68.868 -0.289 0.000 0.862 182 T HN 0.709 nan 8.240 nan 0.000 0.438 183 E N 1.975 122.122 120.200 -0.088 0.000 2.072 183 E HA -0.195 4.156 4.350 0.001 0.000 0.191 183 E C 1.531 178.250 176.600 0.198 0.000 0.985 183 E CA 1.381 57.844 56.400 0.105 0.000 0.801 183 E CB -0.586 29.216 29.700 0.170 0.000 0.750 183 E HN 0.414 nan 8.360 nan 0.000 0.452 184 D N 1.039 121.506 120.400 0.112 0.000 2.127 184 D HA -0.179 4.461 4.640 0.001 0.000 0.190 184 D C 1.964 178.358 176.300 0.156 0.000 1.000 184 D CA 1.251 55.309 54.000 0.097 0.000 0.839 184 D CB -0.807 39.782 40.800 -0.353 0.000 0.955 184 D HN 0.254 nan 8.370 nan 0.000 0.446 185 F N -0.121 119.873 119.950 0.074 0.000 2.333 185 F HA -0.121 4.407 4.527 0.000 0.000 0.300 185 F C 2.192 178.132 175.800 0.233 0.000 1.083 185 F CA 0.352 58.418 58.000 0.109 0.000 1.395 185 F CB -0.141 38.863 39.000 0.007 0.000 1.056 185 F HN -0.129 nan 8.300 nan 0.000 0.529 186 F N 0.652 120.783 119.950 0.303 0.000 2.084 186 F HA -0.132 4.395 4.527 0.001 0.000 0.296 186 F C 2.417 178.314 175.800 0.163 0.000 1.111 186 F CA 1.175 59.300 58.000 0.207 0.000 1.224 186 F CB -1.240 37.862 39.000 0.169 0.000 0.991 186 F HN -0.159 nan 8.300 nan 0.000 0.471 187 K N 0.233 120.861 120.400 0.380 0.000 2.281 187 K HA -0.184 4.137 4.320 0.001 0.000 0.203 187 K C 1.891 178.558 176.600 0.112 0.000 1.046 187 K CA 1.004 57.420 56.287 0.214 0.000 0.938 187 K CB -0.318 32.322 32.500 0.234 0.000 0.737 187 K HN 0.295 nan 8.250 nan 0.000 0.458 188 L N -0.821 120.514 121.223 0.188 0.000 2.316 188 L HA 0.165 4.506 4.340 0.001 0.000 0.207 188 L C 2.173 179.125 176.870 0.135 0.000 1.070 188 L CA 1.428 56.338 54.840 0.117 0.000 0.820 188 L CB -0.021 42.141 42.059 0.171 0.000 0.992 188 L HN 0.232 nan 8.230 nan 0.000 0.466 189 E N -0.329 119.996 120.200 0.209 0.000 2.340 189 E HA 0.010 4.361 4.350 0.001 0.000 0.194 189 E C 2.114 178.790 176.600 0.127 0.000 0.996 189 E CA 0.727 57.235 56.400 0.180 0.000 0.869 189 E CB -0.181 29.660 29.700 0.235 0.000 0.835 189 E HN 0.546 nan 8.360 nan 0.000 0.493 190 R N -0.364 120.213 120.500 0.128 0.000 2.084 190 R HA 0.102 4.442 4.340 0.001 0.000 0.209 190 R C 1.701 178.022 176.300 0.034 0.000 1.173 190 R CA 0.911 57.048 56.100 0.062 0.000 1.053 190 R CB 0.242 30.559 30.300 0.029 0.000 0.948 190 R HN 0.280 nan 8.270 nan 0.000 0.460 191 D N 0.736 121.158 120.400 0.037 0.000 2.087 191 D HA -0.103 4.537 4.640 0.001 0.000 0.201 191 D C 1.847 178.140 176.300 -0.012 0.000 0.980 191 D CA 1.469 55.471 54.000 0.003 0.000 0.849 191 D CB -0.170 40.624 40.800 -0.010 0.000 1.001 191 D HN 0.092 nan 8.370 nan 0.000 0.452 192 M N -0.003 119.580 119.600 -0.029 0.000 2.460 192 M HA -0.044 4.437 4.480 0.001 0.000 0.263 192 M C 1.556 177.849 176.300 -0.011 0.000 1.071 192 M CA 1.572 56.844 55.300 -0.046 0.000 1.096 192 M CB -0.305 32.235 32.600 -0.101 0.000 1.408 192 M HN 0.187 nan 8.290 nan 0.000 0.463 193 K N -1.263 119.146 120.400 0.016 0.000 3.472 193 K HA -0.169 4.151 4.320 0.001 0.000 0.315 193 K C 0.082 176.703 176.600 0.035 0.000 1.320 193 K CA 1.217 57.520 56.287 0.027 0.000 0.962 193 K CB -3.186 29.323 32.500 0.015 0.000 1.251 193 K HN 0.618 nan 8.250 nan 0.000 0.443 194 I N 0.362 120.954 120.570 0.035 0.000 2.938 194 I HA 0.672 4.842 4.170 0.001 0.000 0.285 194 I C 0.456 176.618 176.117 0.074 0.000 1.182 194 I CA 0.096 61.423 61.300 0.046 0.000 1.388 194 I CB 0.956 38.981 38.000 0.041 0.000 1.390 194 I HN 0.842 nan 8.210 nan 0.000 0.600 195 N N 2.753 121.496 118.700 0.073 0.000 2.519 195 N HA 0.352 5.092 4.740 0.001 0.000 0.286 195 N C -0.194 175.368 175.510 0.087 0.000 1.079 195 N CA -0.465 52.634 53.050 0.082 0.000 0.878 195 N CB 1.478 39.999 38.487 0.058 0.000 1.375 195 N HN 0.681 nan 8.380 nan 0.000 0.514 196 C N 0.933 120.306 119.300 0.122 0.000 2.576 196 C HA 0.224 4.684 4.460 0.001 0.000 0.267 196 C C 1.327 176.368 174.990 0.085 0.000 1.364 196 C CA -0.237 58.859 59.018 0.130 0.000 1.723 196 C CB -1.608 26.271 27.740 0.231 0.000 1.778 196 C HN 0.717 nan 8.230 nan 0.000 0.572 197 S N 0.250 115.988 115.700 0.064 0.000 2.537 197 S HA 0.383 4.853 4.470 0.001 0.000 0.286 197 S C 1.463 176.081 174.600 0.030 0.000 1.299 197 S CA 1.140 59.364 58.200 0.041 0.000 1.067 197 S CB 0.136 63.357 63.200 0.034 0.000 0.864 197 S HN 0.992 nan 8.310 nan 0.000 0.494 198 G N 3.695 112.508 108.800 0.021 0.000 2.238 198 G HA2 -0.264 3.696 3.960 0.001 0.000 0.270 198 G HA3 -0.264 3.696 3.960 0.001 0.000 0.270 198 G C 0.162 175.068 174.900 0.010 0.000 0.977 198 G CA 0.894 46.001 45.100 0.012 0.000 0.639 198 G HN 0.645 nan 8.290 nan 0.000 0.544 199 K N 0.183 120.596 120.400 0.021 0.000 2.168 199 K HA 0.643 4.963 4.320 0.001 0.000 0.258 199 K C 0.957 177.568 176.600 0.018 0.000 1.010 199 K CA -0.818 55.478 56.287 0.015 0.000 0.929 199 K CB 0.389 32.907 32.500 0.030 0.000 0.998 199 K HN 0.293 nan 8.250 nan 0.000 0.479 200 I N 1.415 121.988 120.570 0.006 0.000 2.365 200 I HA 0.145 4.316 4.170 0.001 0.000 0.291 200 I C 0.030 176.170 176.117 0.039 0.000 1.004 200 I CA -1.014 60.296 61.300 0.016 0.000 1.311 200 I CB 1.551 39.553 38.000 0.004 0.000 1.401 200 I HN 0.134 nan 8.210 nan 0.000 0.491 201 V N 8.248 128.197 119.914 0.059 0.000 2.617 201 V HA 0.584 4.705 4.120 0.001 0.000 0.298 201 V C -0.615 175.525 176.094 0.077 0.000 1.048 201 V CA -0.407 61.940 62.300 0.077 0.000 0.964 201 V CB 1.838 33.733 31.823 0.119 0.000 1.004 201 V HN 0.641 nan 8.190 nan 0.000 0.466 202 I N 5.961 126.592 120.570 0.103 0.000 2.499 202 I HA 0.882 5.052 4.170 0.001 0.000 0.288 202 I C -0.482 175.735 176.117 0.168 0.000 1.048 202 I CA -0.236 61.163 61.300 0.165 0.000 1.062 202 I CB 1.584 39.721 38.000 0.229 0.000 1.238 202 I HN 0.969 nan 8.210 nan 0.000 0.426 203 A N 6.890 129.763 122.820 0.089 0.000 2.475 203 A HA 0.783 5.103 4.320 0.001 0.000 0.301 203 A C -1.056 176.388 177.584 -0.232 0.000 1.059 203 A CA -0.922 51.052 52.037 -0.104 0.000 0.710 203 A CB 1.435 20.323 19.000 -0.187 0.000 1.288 203 A HN 0.809 nan 8.150 nan 0.000 0.408 204 R N 1.121 121.386 120.500 -0.391 0.000 2.410 204 R HA 0.511 4.851 4.340 0.001 0.000 0.288 204 R C -0.994 175.202 176.300 -0.174 0.000 1.051 204 R CA -0.451 55.273 56.100 -0.627 0.000 1.021 204 R CB 0.494 30.419 30.300 -0.624 0.000 1.032 204 R HN 0.654 nan 8.270 nan 0.000 0.481 205 Y N 0.977 121.244 120.300 -0.056 0.000 2.607 205 Y HA 0.200 4.750 4.550 0.000 0.000 0.348 205 Y C 1.445 177.571 175.900 0.376 0.000 1.261 205 Y CA 1.671 59.874 58.100 0.171 0.000 1.480 205 Y CB 0.767 39.318 38.460 0.153 0.000 1.358 205 Y HN 1.003 nan 8.280 nan 0.000 0.630 206 G N 1.472 110.574 108.800 0.503 0.000 2.484 206 G HA2 0.101 4.062 3.960 0.001 0.000 0.685 206 G HA3 0.101 4.062 3.960 0.001 0.000 0.685 206 G C -0.346 174.518 174.900 -0.060 0.000 1.294 206 G CA -0.478 44.737 45.100 0.192 0.000 0.879 206 G HN 0.520 nan 8.290 nan 0.000 0.646 207 K N -3.349 116.961 120.400 -0.150 0.000 4.998 207 K HA -0.235 4.085 4.320 0.001 0.000 0.444 207 K C 0.999 177.620 176.600 0.036 0.000 0.393 207 K CA 3.070 59.256 56.287 -0.168 0.000 1.908 207 K CB -2.400 29.780 32.500 -0.533 0.000 0.757 207 K HN 2.391 nan 8.250 nan 0.000 0.588 208 V N -2.192 117.741 119.914 0.032 0.000 3.007 208 V HA 0.733 4.853 4.120 0.001 0.000 0.311 208 V C 0.143 176.260 176.094 0.038 0.000 1.120 208 V CA -1.053 61.244 62.300 -0.005 0.000 0.980 208 V CB 1.994 33.782 31.823 -0.059 0.000 1.033 208 V HN 0.206 nan 8.190 nan 0.000 0.429 209 F N 4.267 123.983 119.950 -0.389 0.000 2.629 209 F HA 0.294 4.821 4.527 0.001 0.000 0.377 209 F C 1.775 177.463 175.800 -0.185 0.000 1.101 209 F CA 0.406 58.034 58.000 -0.619 0.000 1.301 209 F CB 0.920 39.294 39.000 -1.044 0.000 1.062 209 F HN 0.872 nan 8.300 nan 0.000 0.583 210 R N 3.474 123.524 120.500 -0.750 0.000 2.189 210 R HA 0.027 4.368 4.340 0.001 0.000 0.218 210 R C 1.891 177.729 176.300 -0.769 0.000 1.074 210 R CA 1.087 56.884 56.100 -0.505 0.000 0.991 210 R CB -1.199 29.038 30.300 -0.105 0.000 0.883 210 R HN 0.782 nan 8.270 nan 0.000 0.457 211 G N 1.606 109.396 108.800 -1.683 0.000 2.469 211 G HA2 -0.334 3.626 3.960 0.001 0.000 0.219 211 G HA3 -0.334 3.626 3.960 0.001 0.000 0.219 211 G C 0.923 175.626 174.900 -0.329 0.000 1.150 211 G CA 1.208 45.808 45.100 -0.833 0.000 0.763 211 G HN 0.451 nan 8.290 nan 0.000 0.561 212 N N 0.542 119.089 118.700 -0.255 0.000 2.084 212 N HA -0.064 4.676 4.740 0.001 0.000 0.190 212 N C 2.126 177.566 175.510 -0.116 0.000 1.030 212 N CA 1.418 54.398 53.050 -0.115 0.000 0.849 212 N CB -0.153 38.294 38.487 -0.068 0.000 1.012 212 N HN 0.332 nan 8.380 nan 0.000 0.423 213 K N 0.405 120.731 120.400 -0.125 0.000 2.034 213 K HA -0.164 4.156 4.320 0.001 0.000 0.214 213 K C 1.924 178.491 176.600 -0.056 0.000 1.051 213 K CA 1.454 57.712 56.287 -0.049 0.000 0.931 213 K CB -0.539 31.912 32.500 -0.082 0.000 0.715 213 K HN 0.036 nan 8.250 nan 0.000 0.446 214 V N 1.774 121.616 119.914 -0.121 0.000 2.358 214 V HA -0.248 3.873 4.120 0.001 0.000 0.246 214 V C 2.439 178.470 176.094 -0.104 0.000 1.047 214 V CA 1.770 64.011 62.300 -0.099 0.000 1.035 214 V CB -0.467 31.288 31.823 -0.113 0.000 0.658 214 V HN 0.356 nan 8.190 nan 0.000 0.452 215 K N 0.335 120.664 120.400 -0.117 0.000 2.026 215 K HA -0.228 4.092 4.320 0.001 0.000 0.208 215 K C 2.067 178.554 176.600 -0.188 0.000 1.048 215 K CA 1.907 58.120 56.287 -0.124 0.000 0.929 215 K CB -0.190 32.248 32.500 -0.104 0.000 0.713 215 K HN 0.437 nan 8.250 nan 0.000 0.439 216 N N 1.011 119.577 118.700 -0.224 0.000 2.043 216 N HA -0.187 4.553 4.740 0.001 0.000 0.193 216 N C 1.785 176.832 175.510 -0.772 0.000 1.037 216 N CA 1.671 54.449 53.050 -0.454 0.000 0.851 216 N CB -0.771 37.521 38.487 -0.324 0.000 1.027 216 N HN 0.338 nan 8.380 nan 0.000 0.422 217 A N 1.071 123.603 122.820 -0.480 0.000 1.873 217 A HA -0.269 4.051 4.320 0.001 0.000 0.218 217 A C 2.210 179.672 177.584 -0.203 0.000 1.193 217 A CA 1.983 53.875 52.037 -0.242 0.000 0.629 217 A CB -0.965 18.089 19.000 0.089 0.000 0.826 217 A HN 0.433 nan 8.150 nan 0.000 0.447 218 Q N -0.781 118.925 119.800 -0.155 0.000 2.096 218 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 218 Q C 2.031 177.957 176.000 -0.123 0.000 0.982 218 Q CA 1.570 57.310 55.803 -0.105 0.000 0.850 218 Q CB -0.204 28.482 28.738 -0.088 0.000 0.901 218 Q HN 0.716 nan 8.270 nan 0.000 0.422 219 L N -0.513 120.600 121.223 -0.184 0.000 2.217 219 L HA -0.039 4.301 4.340 0.001 0.000 0.211 219 L C 2.065 178.843 176.870 -0.154 0.000 1.107 219 L CA 0.621 55.368 54.840 -0.155 0.000 0.783 219 L CB -0.299 41.662 42.059 -0.163 0.000 0.919 219 L HN 0.204 nan 8.230 nan 0.000 0.442 220 A N -0.538 122.131 122.820 -0.252 0.000 2.252 220 A HA 0.262 4.583 4.320 0.001 0.000 0.207 220 A C 1.704 179.272 177.584 -0.026 0.000 1.194 220 A CA 0.842 52.789 52.037 -0.149 0.000 0.809 220 A CB -0.471 18.383 19.000 -0.243 0.000 0.814 220 A HN 0.544 nan 8.150 nan 0.000 0.482 221 G N -2.035 106.743 108.800 -0.037 0.000 2.195 221 G HA2 0.103 4.063 3.960 0.001 0.000 0.224 221 G HA3 0.103 4.063 3.960 0.001 0.000 0.224 221 G C 0.596 175.500 174.900 0.007 0.000 0.990 221 G CA 0.202 45.300 45.100 -0.005 0.000 0.639 221 G HN 1.658 nan 8.290 nan 0.000 0.514 222 A N 0.285 123.114 122.820 0.016 0.000 2.583 222 A HA 0.456 4.776 4.320 0.001 0.000 0.231 222 A C 1.521 179.111 177.584 0.010 0.000 1.065 222 A CA 1.881 53.937 52.037 0.031 0.000 0.760 222 A CB 0.245 19.278 19.000 0.055 0.000 1.001 222 A HN 1.725 nan 8.150 nan 0.000 0.509 223 K N 0.794 121.199 120.400 0.009 0.000 2.353 223 K HA 0.489 4.809 4.320 0.001 0.000 0.195 223 K C 0.594 177.188 176.600 -0.010 0.000 1.031 223 K CA 0.578 56.862 56.287 -0.004 0.000 1.079 223 K CB -0.299 32.196 32.500 -0.009 0.000 0.857 223 K HN 2.222 nan 8.250 nan 0.000 0.535 224 G N -0.532 108.268 108.800 -0.001 0.000 2.601 224 G HA2 0.507 4.467 3.960 0.001 0.000 0.291 224 G HA3 0.507 4.467 3.960 0.001 0.000 0.291 224 G C -1.849 173.058 174.900 0.012 0.000 1.456 224 G CA -0.416 44.681 45.100 -0.004 0.000 0.804 224 G HN 0.227 nan 8.290 nan 0.000 0.499 225 V N 0.656 120.575 119.914 0.009 0.000 2.709 225 V HA 0.612 4.732 4.120 0.001 0.000 0.308 225 V C -0.528 175.575 176.094 0.016 0.000 1.062 225 V CA -0.600 61.708 62.300 0.013 0.000 0.901 225 V CB 1.805 33.623 31.823 -0.008 0.000 1.003 225 V HN 0.675 nan 8.190 nan 0.000 0.425 226 I N 5.124 125.712 120.570 0.031 0.000 2.436 226 I HA 0.521 4.692 4.170 0.001 0.000 0.289 226 I C -0.811 175.315 176.117 0.014 0.000 1.010 226 I CA -0.345 60.988 61.300 0.055 0.000 1.098 226 I CB 1.785 39.853 38.000 0.114 0.000 1.266 226 I HN 0.355 nan 8.210 nan 0.000 0.434 227 L N 7.046 128.218 121.223 -0.085 0.000 2.334 227 L HA 0.625 4.965 4.340 0.001 0.000 0.273 227 L C -1.023 175.764 176.870 -0.138 0.000 1.013 227 L CA -0.849 53.807 54.840 -0.307 0.000 0.816 227 L CB 1.638 43.228 42.059 -0.782 0.000 1.278 227 L HN 0.528 nan 8.230 nan 0.000 0.431 228 Y N -0.829 119.347 120.300 -0.208 0.000 2.609 228 Y HA 0.630 5.181 4.550 0.001 0.000 0.336 228 Y C -1.106 174.912 175.900 0.198 0.000 1.129 228 Y CA -1.208 56.917 58.100 0.041 0.000 1.040 228 Y CB 1.351 39.875 38.460 0.108 0.000 1.310 228 Y HN 0.364 nan 8.280 nan 0.000 0.460 229 S N 2.725 118.637 115.700 0.353 0.000 2.452 229 S HA 0.177 4.647 4.470 0.001 0.000 0.284 229 S C -1.024 173.945 174.600 0.615 0.000 1.171 229 S CA -0.647 57.751 58.200 0.330 0.000 1.064 229 S CB 0.455 63.698 63.200 0.071 0.000 0.967 229 S HN 0.665 nan 8.310 nan 0.000 0.484 230 D N 3.255 123.947 120.400 0.486 0.000 2.177 230 D HA 0.236 4.876 4.640 0.001 0.000 0.247 230 D C -1.613 174.888 176.300 0.334 0.000 1.063 230 D CA -2.212 52.093 54.000 0.509 0.000 0.867 230 D CB 1.750 42.791 40.800 0.401 0.000 1.168 230 D HN 0.140 nan 8.370 nan 0.000 0.445 231 P HA -0.104 nan 4.420 nan 0.000 0.222 231 P C 1.032 178.390 177.300 0.096 0.000 1.147 231 P CA 0.766 63.846 63.100 -0.033 0.000 0.790 231 P CB 0.166 31.585 31.700 -0.469 0.000 0.780 232 A N 1.016 123.879 122.820 0.073 0.000 1.917 232 A HA -0.213 4.107 4.320 0.001 0.000 0.219 232 A C 2.019 179.629 177.584 0.043 0.000 1.182 232 A CA 2.126 54.199 52.037 0.060 0.000 0.633 232 A CB -1.167 17.856 19.000 0.038 0.000 0.819 232 A HN 0.147 nan 8.150 nan 0.000 0.448 233 D N -2.374 118.040 120.400 0.025 0.000 2.213 233 D HA -0.003 4.637 4.640 0.001 0.000 0.205 233 D C 0.488 176.535 176.300 -0.421 0.000 0.961 233 D CA 1.034 54.907 54.000 -0.211 0.000 0.853 233 D CB -0.054 40.589 40.800 -0.261 0.000 0.967 233 D HN 0.662 nan 8.370 nan 0.000 0.496 234 Y N -1.074 119.337 120.300 0.185 0.000 2.641 234 Y HA 0.253 4.803 4.550 0.001 0.000 0.248 234 Y C -0.328 175.731 175.900 0.264 0.000 1.170 234 Y CA -0.574 57.657 58.100 0.219 0.000 1.201 234 Y CB 0.627 39.235 38.460 0.247 0.000 1.232 234 Y HN -0.224 nan 8.280 nan 0.000 0.537 235 F N 1.355 121.382 119.950 0.128 0.000 2.716 235 F HA 0.744 5.271 4.527 0.001 0.000 0.354 235 F C -0.306 175.481 175.800 -0.022 0.000 1.168 235 F CA -1.365 56.660 58.000 0.041 0.000 1.045 235 F CB 0.488 39.470 39.000 -0.030 0.000 1.311 235 F HN -0.079 nan 8.300 nan 0.000 0.477 236 A N 6.844 129.488 122.820 -0.293 0.000 2.409 236 A HA 0.574 4.894 4.320 0.001 0.000 0.262 236 A C -2.581 174.833 177.584 -0.285 0.000 1.113 236 A CA -1.438 50.477 52.037 -0.202 0.000 0.790 236 A CB -0.309 18.581 19.000 -0.183 0.000 1.046 236 A HN 0.502 nan 8.150 nan 0.000 0.496 237 P HA 0.283 nan 4.420 nan 0.000 0.268 237 P C 0.995 178.245 177.300 -0.082 0.000 1.204 237 P CA 1.640 64.753 63.100 0.022 0.000 0.768 237 P CB 0.728 32.454 31.700 0.044 0.000 0.842 238 G N 1.039 109.816 108.800 -0.038 0.000 2.143 238 G HA2 -0.181 3.779 3.960 0.001 0.000 0.249 238 G HA3 -0.181 3.779 3.960 0.001 0.000 0.249 238 G C -0.054 174.715 174.900 -0.218 0.000 0.981 238 G CA 0.063 45.112 45.100 -0.086 0.000 0.665 238 G HN 0.692 nan 8.290 nan 0.000 0.528 239 V N -0.655 119.002 119.914 -0.428 0.000 2.715 239 V HA 0.940 5.061 4.120 0.001 0.000 0.310 239 V C 0.324 176.049 176.094 -0.615 0.000 1.054 239 V CA 0.462 62.363 62.300 -0.665 0.000 0.928 239 V CB 1.577 32.656 31.823 -1.240 0.000 1.007 239 V HN 1.105 nan 8.190 nan 0.000 0.437 240 K N 3.024 123.127 120.400 -0.496 0.000 2.118 240 K HA 0.694 5.014 4.320 0.001 0.000 0.267 240 K C 0.367 176.771 176.600 -0.327 0.000 0.991 240 K CA 0.062 56.179 56.287 -0.283 0.000 0.916 240 K CB 1.022 33.420 32.500 -0.170 0.000 1.041 240 K HN 1.006 nan 8.250 nan 0.000 0.455 241 S N 0.684 116.352 115.700 -0.054 0.000 2.571 241 S HA 0.004 4.474 4.470 0.001 0.000 0.298 241 S C 0.114 174.677 174.600 -0.061 0.000 1.280 241 S CA 0.049 58.259 58.200 0.016 0.000 1.052 241 S CB -0.335 62.931 63.200 0.110 0.000 0.799 241 S HN 0.513 nan 8.310 nan 0.000 0.501 242 Y N 5.316 125.528 120.300 -0.147 0.000 2.702 242 Y HA 0.121 4.671 4.550 0.000 0.000 0.336 242 Y C -1.165 174.675 175.900 -0.101 0.000 1.235 242 Y CA -1.242 56.799 58.100 -0.100 0.000 1.492 242 Y CB 0.565 38.974 38.460 -0.085 0.000 1.308 242 Y HN 0.442 nan 8.280 nan 0.000 0.589 243 P HA 0.082 nan 4.420 nan 0.000 0.257 243 P C -0.485 176.641 177.300 -0.290 0.000 1.325 243 P CA 0.619 63.130 63.100 -0.981 0.000 0.850 243 P CB 0.530 31.905 31.700 -0.541 0.000 1.324 244 D N -0.605 119.688 120.400 -0.178 0.000 2.433 244 D HA 0.253 4.894 4.640 0.001 0.000 0.211 244 D C 1.139 177.256 176.300 -0.304 0.000 1.114 244 D CA 0.402 54.377 54.000 -0.042 0.000 0.837 244 D CB 1.590 42.358 40.800 -0.052 0.000 0.984 244 D HN 0.210 nan 8.370 nan 0.000 0.505 245 G N 0.274 108.646 108.800 -0.714 0.000 2.554 245 G HA2 0.236 4.196 3.960 0.001 0.000 0.306 245 G HA3 0.236 4.196 3.960 0.001 0.000 0.306 245 G C -1.051 173.342 174.900 -0.846 0.000 1.320 245 G CA -0.764 43.600 45.100 -1.227 0.000 0.800 245 G HN 0.081 nan 8.290 nan 0.000 0.481 246 W N 0.747 121.708 121.300 -0.566 0.000 3.194 246 W HA 0.431 5.091 4.660 0.000 0.000 0.408 246 W C -0.539 175.975 176.519 -0.009 0.000 1.072 246 W CA -0.799 56.481 57.345 -0.108 0.000 1.953 246 W CB -0.449 29.008 29.460 -0.004 0.000 1.091 246 W HN 0.088 nan 8.180 nan 0.000 0.699 247 N N 1.719 120.323 118.700 -0.161 0.000 2.476 247 N HA 0.265 5.006 4.740 0.001 0.000 0.275 247 N C -0.827 174.758 175.510 0.125 0.000 1.190 247 N CA -0.699 52.261 53.050 -0.150 0.000 0.977 247 N CB 1.611 39.660 38.487 -0.729 0.000 1.200 247 N HN -0.012 nan 8.380 nan 0.000 0.515 248 L N 2.659 124.046 121.223 0.274 0.000 2.281 248 L HA 0.472 4.813 4.340 0.001 0.000 0.285 248 L C -2.310 174.750 176.870 0.318 0.000 1.074 248 L CA -1.450 53.580 54.840 0.317 0.000 0.817 248 L CB 0.719 43.014 42.059 0.393 0.000 1.168 248 L HN 0.423 nan 8.230 nan 0.000 0.434 249 P HA 0.167 nan 4.420 nan 0.000 0.270 249 P C 0.535 177.509 177.300 -0.543 0.000 1.223 249 P CA -0.096 62.936 63.100 -0.113 0.000 0.785 249 P CB 0.612 32.175 31.700 -0.229 0.000 0.923 250 G N 1.066 109.161 108.800 -1.175 0.000 2.598 250 G HA2 -0.092 3.868 3.960 0.001 0.000 0.215 250 G HA3 -0.092 3.868 3.960 0.001 0.000 0.215 250 G C 1.357 175.339 174.900 -1.531 0.000 1.131 250 G CA 0.626 44.200 45.100 -2.542 0.000 0.785 250 G HN 0.642 nan 8.290 nan 0.000 0.539 251 G N 0.056 108.410 108.800 -0.744 0.000 2.939 251 G HA2 0.368 4.328 3.960 0.001 0.000 0.210 251 G HA3 0.368 4.328 3.960 0.001 0.000 0.210 251 G C 0.885 175.769 174.900 -0.026 0.000 1.160 251 G CA 0.384 45.364 45.100 -0.200 0.000 0.770 251 G HN 0.556 nan 8.290 nan 0.000 0.543 252 G N -0.159 108.656 108.800 0.024 0.000 2.442 252 G HA2 0.429 4.390 3.960 0.001 0.000 0.249 252 G HA3 0.429 4.390 3.960 0.001 0.000 0.249 252 G C -0.878 174.039 174.900 0.027 0.000 1.263 252 G CA -0.004 45.207 45.100 0.185 0.000 0.846 252 G HN 0.206 nan 8.290 nan 0.000 0.555 253 V N 1.951 121.866 119.914 0.003 0.000 2.789 253 V HA 0.357 4.478 4.120 0.001 0.000 0.311 253 V C -0.100 175.922 176.094 -0.119 0.000 1.073 253 V CA -0.887 61.394 62.300 -0.032 0.000 0.921 253 V CB 1.963 33.765 31.823 -0.035 0.000 1.009 253 V HN 0.825 nan 8.190 nan 0.000 0.426 254 Q N 3.489 123.182 119.800 -0.178 0.000 2.322 254 Q HA 0.432 4.773 4.340 0.001 0.000 0.256 254 Q C -0.045 175.733 176.000 -0.369 0.000 0.960 254 Q CA -0.466 55.104 55.803 -0.387 0.000 0.934 254 Q CB 0.920 29.167 28.738 -0.818 0.000 1.200 254 Q HN 0.631 nan 8.270 nan 0.000 0.435 255 R N 1.295 121.503 120.500 -0.485 0.000 2.738 255 R HA 0.643 4.984 4.340 0.001 0.000 0.275 255 R C -0.141 175.633 176.300 -0.876 0.000 1.121 255 R CA 0.616 56.207 56.100 -0.849 0.000 1.207 255 R CB 0.775 30.317 30.300 -1.264 0.000 1.141 255 R HN 0.861 nan 8.270 nan 0.000 0.571 256 G N 0.376 108.441 108.800 -1.225 0.000 2.343 256 G HA2 -0.007 3.954 3.960 0.001 0.000 0.298 256 G HA3 -0.007 3.954 3.960 0.001 0.000 0.298 256 G C -1.646 173.053 174.900 -0.334 0.000 1.644 256 G CA -0.995 43.767 45.100 -0.564 0.000 0.958 256 G HN 0.742 nan 8.290 nan 0.000 0.702 257 N N -0.891 117.840 118.700 0.053 0.000 2.444 257 N HA 0.530 5.270 4.740 0.001 0.000 0.255 257 N C 0.889 176.473 175.510 0.123 0.000 1.255 257 N CA -0.028 53.108 53.050 0.144 0.000 0.933 257 N CB 0.952 39.663 38.487 0.373 0.000 1.143 257 N HN 0.985 nan 8.380 nan 0.000 0.453 258 I N -2.298 118.337 120.570 0.108 0.000 3.658 258 I HA 0.325 4.495 4.170 0.001 0.000 0.328 258 I C -0.594 175.536 176.117 0.022 0.000 1.567 258 I CA -0.710 60.561 61.300 -0.048 0.000 1.078 258 I CB -0.105 37.848 38.000 -0.078 0.000 1.267 258 I HN 0.277 nan 8.210 nan 0.000 0.495 259 L N 1.839 123.132 121.223 0.118 0.000 2.467 259 L HA 0.206 4.546 4.340 0.001 0.000 0.270 259 L C 0.400 177.328 176.870 0.098 0.000 1.205 259 L CA 0.341 55.195 54.840 0.024 0.000 0.828 259 L CB 0.156 42.146 42.059 -0.116 0.000 1.101 259 L HN 0.357 nan 8.230 nan 0.000 0.479 260 N N 3.163 121.870 118.700 0.011 0.000 2.898 260 N HA 0.218 4.958 4.740 0.001 0.000 0.245 260 N C 0.526 176.005 175.510 -0.051 0.000 1.185 260 N CA -0.134 52.929 53.050 0.022 0.000 0.879 260 N CB 1.323 39.811 38.487 0.001 0.000 1.157 260 N HN 0.577 nan 8.380 nan 0.000 0.503 261 L N 0.695 121.869 121.223 -0.080 0.000 2.307 261 L HA 0.060 4.401 4.340 0.001 0.000 0.211 261 L C 0.256 177.020 176.870 -0.177 0.000 1.099 261 L CA 0.234 54.987 54.840 -0.144 0.000 0.816 261 L CB -0.094 41.855 42.059 -0.183 0.000 0.952 261 L HN 0.414 nan 8.230 nan 0.000 0.455 262 N N 0.778 119.372 118.700 -0.178 0.000 2.721 262 N HA -0.217 4.524 4.740 0.001 0.000 0.249 262 N C 0.973 176.004 175.510 -0.798 0.000 1.072 262 N CA 1.027 53.819 53.050 -0.429 0.000 0.710 262 N CB -1.496 36.793 38.487 -0.330 0.000 0.993 262 N HN 0.599 nan 8.380 nan 0.000 0.547 263 G N -1.986 106.544 108.800 -0.450 0.000 2.176 263 G HA2 -0.279 3.681 3.960 0.001 0.000 0.253 263 G HA3 -0.279 3.681 3.960 0.001 0.000 0.253 263 G C 1.058 175.723 174.900 -0.392 0.000 0.979 263 G CA 0.918 45.811 45.100 -0.345 0.000 0.641 263 G HN 1.021 nan 8.290 nan 0.000 0.530 264 A N -0.196 122.392 122.820 -0.387 0.000 2.067 264 A HA 0.499 4.819 4.320 0.001 0.000 0.219 264 A C 2.774 179.998 177.584 -0.601 0.000 1.158 264 A CA 2.222 53.870 52.037 -0.649 0.000 0.661 264 A CB -0.573 18.241 19.000 -0.311 0.000 0.801 264 A HN 2.689 nan 8.150 nan 0.000 0.452 265 G N -0.356 108.194 108.800 -0.416 0.000 2.512 265 G HA2 -0.257 3.703 3.960 0.001 0.000 0.254 265 G HA3 -0.257 3.703 3.960 0.001 0.000 0.254 265 G C -0.182 174.552 174.900 -0.277 0.000 1.199 265 G CA 0.219 45.108 45.100 -0.351 0.000 0.941 265 G HN 0.962 nan 8.290 nan 0.000 0.569 266 D N 1.859 122.117 120.400 -0.237 0.000 2.662 266 D HA 0.265 4.906 4.640 0.001 0.000 0.237 266 D C -0.408 175.789 176.300 -0.172 0.000 1.154 266 D CA -0.125 53.775 54.000 -0.168 0.000 0.861 266 D CB 0.685 41.410 40.800 -0.125 0.000 1.146 266 D HN 0.120 nan 8.370 nan 0.000 0.518 267 P HA -0.165 nan 4.420 nan 0.000 0.218 267 P C 1.004 178.247 177.300 -0.094 0.000 1.146 267 P CA 1.143 64.153 63.100 -0.151 0.000 0.820 267 P CB 0.133 31.731 31.700 -0.171 0.000 0.778 268 L N -2.454 118.723 121.223 -0.076 0.000 2.513 268 L HA 0.110 4.451 4.340 0.001 0.000 0.222 268 L C 0.836 177.681 176.870 -0.042 0.000 1.096 268 L CA 0.966 55.772 54.840 -0.056 0.000 0.857 268 L CB -0.446 41.579 42.059 -0.057 0.000 1.026 268 L HN 0.047 nan 8.230 nan 0.000 0.469 269 T N -2.416 112.109 114.554 -0.048 0.000 3.624 269 T HA 0.311 4.661 4.350 0.001 0.000 0.244 269 T C -2.665 172.013 174.700 -0.036 0.000 1.063 269 T CA -1.604 60.493 62.100 -0.004 0.000 1.252 269 T CB 0.258 69.116 68.868 -0.016 0.000 1.021 269 T HN -0.156 nan 8.240 nan 0.000 0.590 270 P HA 0.380 nan 4.420 nan 0.000 0.271 270 P C 1.142 178.370 177.300 -0.120 0.000 1.226 270 P CA 0.918 63.913 63.100 -0.176 0.000 0.765 270 P CB 0.824 32.545 31.700 0.035 0.000 0.835 271 G N 2.423 110.951 108.800 -0.454 0.000 2.313 271 G HA2 -0.192 3.768 3.960 0.001 0.000 0.215 271 G HA3 -0.192 3.768 3.960 0.001 0.000 0.215 271 G C -0.596 173.726 174.900 -0.963 0.000 1.023 271 G CA -0.328 44.414 45.100 -0.596 0.000 0.626 271 G HN 0.514 nan 8.290 nan 0.000 0.503 272 Y N 1.329 121.558 120.300 -0.119 0.000 2.534 272 Y HA 0.599 5.150 4.550 0.000 0.000 0.345 272 Y C -2.310 173.506 175.900 -0.139 0.000 1.031 272 Y CA -2.214 55.828 58.100 -0.097 0.000 1.022 272 Y CB 2.130 40.566 38.460 -0.040 0.000 1.292 272 Y HN -0.016 nan 8.280 nan 0.000 0.459 273 P HA 0.101 nan 4.420 nan 0.000 0.271 273 P C -0.417 176.888 177.300 0.007 0.000 1.216 273 P CA -0.063 63.014 63.100 -0.038 0.000 0.771 273 P CB 1.013 32.736 31.700 0.039 0.000 0.864 274 A N 3.298 126.139 122.820 0.034 0.000 3.051 274 A HA 0.067 4.387 4.320 0.001 0.000 0.257 274 A C 0.931 178.560 177.584 0.075 0.000 1.785 274 A CA -0.402 51.659 52.037 0.040 0.000 1.420 274 A CB -1.738 17.282 19.000 0.033 0.000 1.063 274 A HN 0.661 nan 8.150 nan 0.000 0.630 275 N N -0.349 118.315 118.700 -0.060 0.000 2.381 275 N HA 0.068 4.808 4.740 0.001 0.000 0.289 275 N C 0.716 176.115 175.510 -0.184 0.000 1.288 275 N CA -0.211 52.743 53.050 -0.161 0.000 0.960 275 N CB 0.199 38.511 38.487 -0.291 0.000 1.116 275 N HN 0.275 nan 8.380 nan 0.000 0.557 276 E N -0.923 119.197 120.200 -0.134 0.000 2.118 276 E HA -0.209 4.142 4.350 0.001 0.000 0.195 276 E C 0.833 177.454 176.600 0.036 0.000 0.992 276 E CA 1.520 57.927 56.400 0.012 0.000 0.804 276 E CB -0.484 29.294 29.700 0.131 0.000 0.741 276 E HN 0.846 nan 8.360 nan 0.000 0.458 277 Y N -0.942 119.381 120.300 0.039 0.000 2.555 277 Y HA 0.662 5.213 4.550 0.001 0.000 0.259 277 Y C 0.561 176.494 175.900 0.054 0.000 1.179 277 Y CA -0.679 57.445 58.100 0.040 0.000 1.230 277 Y CB -0.278 38.201 38.460 0.031 0.000 1.146 277 Y HN -0.170 nan 8.280 nan 0.000 0.526 278 A N 1.219 123.902 122.820 -0.229 0.000 2.587 278 A HA -0.016 4.304 4.320 0.001 0.000 0.233 278 A C -0.807 176.810 177.584 0.054 0.000 1.049 278 A CA 0.090 52.055 52.037 -0.120 0.000 0.754 278 A CB -0.407 18.524 19.000 -0.115 0.000 0.977 278 A HN 0.606 nan 8.150 nan 0.000 0.509 279 Y N 2.312 122.597 120.300 -0.026 0.000 2.308 279 Y HA 0.519 5.070 4.550 0.001 0.000 0.329 279 Y C 0.567 176.460 175.900 -0.011 0.000 1.111 279 Y CA -0.273 57.821 58.100 -0.009 0.000 1.179 279 Y CB 0.838 39.286 38.460 -0.019 0.000 1.201 279 Y HN 0.695 nan 8.280 nan 0.000 0.483 280 R N 5.329 125.472 120.500 -0.594 0.000 2.637 280 R HA 0.485 4.826 4.340 0.001 0.000 0.291 280 R C -0.536 175.506 176.300 -0.431 0.000 0.963 280 R CA -1.158 54.731 56.100 -0.351 0.000 0.901 280 R CB 1.900 32.059 30.300 -0.234 0.000 1.160 280 R HN 0.708 nan 8.270 nan 0.000 0.457 281 R N 0.578 120.976 120.500 -0.170 0.000 2.698 281 R HA 0.042 4.383 4.340 0.001 0.000 0.266 281 R C 0.772 177.009 176.300 -0.106 0.000 1.026 281 R CA 0.207 56.252 56.100 -0.092 0.000 1.102 281 R CB 0.176 30.464 30.300 -0.020 0.000 0.978 281 R HN 0.757 nan 8.270 nan 0.000 0.436 282 G N 0.381 109.141 108.800 -0.067 0.000 2.554 282 G HA2 0.026 3.987 3.960 0.001 0.000 0.238 282 G HA3 0.026 3.987 3.960 0.001 0.000 0.238 282 G C 1.069 175.955 174.900 -0.023 0.000 1.259 282 G CA -0.685 44.389 45.100 -0.044 0.000 0.843 282 G HN 0.461 nan 8.290 nan 0.000 0.582 283 I N 1.566 122.129 120.570 -0.012 0.000 2.530 283 I HA -0.159 4.011 4.170 0.001 0.000 0.257 283 I C 2.961 179.082 176.117 0.006 0.000 1.179 283 I CA 1.620 62.922 61.300 0.004 0.000 1.440 283 I CB -0.839 37.175 38.000 0.023 0.000 1.087 283 I HN 0.772 nan 8.210 nan 0.000 0.440 284 A N -0.653 122.170 122.820 0.005 0.000 2.119 284 A HA -0.092 4.229 4.320 0.001 0.000 0.217 284 A C 1.811 179.396 177.584 0.003 0.000 1.153 284 A CA 1.257 53.298 52.037 0.007 0.000 0.692 284 A CB -0.338 18.667 19.000 0.008 0.000 0.799 284 A HN 0.653 nan 8.150 nan 0.000 0.458 285 E N -0.133 120.068 120.200 0.002 0.000 2.501 285 E HA 0.439 4.790 4.350 0.001 0.000 0.201 285 E C 0.503 177.100 176.600 -0.005 0.000 1.016 285 E CA 0.309 56.711 56.400 0.003 0.000 0.920 285 E CB 0.430 30.139 29.700 0.015 0.000 1.023 285 E HN 0.505 nan 8.360 nan 0.000 0.474 286 A N 0.846 123.658 122.820 -0.013 0.000 2.520 286 A HA 0.187 4.507 4.320 0.001 0.000 0.235 286 A C 0.342 177.901 177.584 -0.042 0.000 1.065 286 A CA -0.276 51.744 52.037 -0.029 0.000 0.764 286 A CB 0.370 19.352 19.000 -0.029 0.000 1.002 286 A HN 0.084 nan 8.150 nan 0.000 0.502 287 V N 2.048 121.925 119.914 -0.063 0.000 2.530 287 V HA 0.510 4.630 4.120 0.001 0.000 0.282 287 V C 1.507 177.534 176.094 -0.111 0.000 1.048 287 V CA 1.163 63.419 62.300 -0.073 0.000 0.997 287 V CB 0.292 32.073 31.823 -0.071 0.000 0.987 287 V HN 1.937 nan 8.190 nan 0.000 0.477 288 G N 4.116 112.860 108.800 -0.092 0.000 2.199 288 G HA2 -0.211 3.750 3.960 0.001 0.000 0.254 288 G HA3 -0.211 3.750 3.960 0.001 0.000 0.254 288 G C 0.164 175.004 174.900 -0.101 0.000 0.982 288 G CA -0.064 44.973 45.100 -0.105 0.000 0.632 288 G HN 0.563 nan 8.290 nan 0.000 0.529 289 L N 2.742 123.915 121.223 -0.085 0.000 2.462 289 L HA 0.279 4.619 4.340 0.001 0.000 0.272 289 L C -1.053 175.814 176.870 -0.005 0.000 1.166 289 L CA -1.303 53.518 54.840 -0.032 0.000 0.880 289 L CB 0.198 42.260 42.059 0.005 0.000 1.142 289 L HN 0.095 nan 8.230 nan 0.000 0.473 290 P HA 0.076 nan 4.420 nan 0.000 0.274 290 P C 0.133 177.441 177.300 0.015 0.000 1.231 290 P CA -0.423 62.682 63.100 0.008 0.000 0.790 290 P CB 1.192 32.903 31.700 0.017 0.000 0.951 291 S N 1.023 116.722 115.700 -0.001 0.000 2.540 291 S HA 0.176 4.647 4.470 0.001 0.000 0.218 291 S C 0.928 175.527 174.600 -0.001 0.000 0.977 291 S CA -0.391 57.810 58.200 0.001 0.000 0.918 291 S CB -0.696 62.500 63.200 -0.007 0.000 0.806 291 S HN 0.527 nan 8.310 nan 0.000 0.496 292 I N -1.495 119.072 120.570 -0.005 0.000 2.603 292 I HA 0.691 4.861 4.170 0.001 0.000 0.300 292 I C -3.305 172.810 176.117 -0.003 0.000 1.017 292 I CA -3.203 58.093 61.300 -0.008 0.000 1.098 292 I CB 1.592 39.584 38.000 -0.013 0.000 1.279 292 I HN -0.272 nan 8.210 nan 0.000 0.437 293 P HA 0.264 nan 4.420 nan 0.000 0.271 293 P C -0.944 176.359 177.300 0.005 0.000 1.218 293 P CA -0.121 62.975 63.100 -0.007 0.000 0.780 293 P CB 1.045 32.719 31.700 -0.042 0.000 0.901 294 V N 2.484 122.415 119.914 0.029 0.000 2.888 294 V HA 0.511 4.631 4.120 0.001 0.000 0.309 294 V C -0.942 175.208 176.094 0.095 0.000 1.114 294 V CA -0.425 61.891 62.300 0.027 0.000 0.940 294 V CB 2.091 33.904 31.823 -0.016 0.000 1.021 294 V HN 0.647 nan 8.190 nan 0.000 0.426 295 H N 4.362 123.414 119.070 -0.029 0.000 3.029 295 H HA 0.689 5.245 4.556 0.001 0.000 0.358 295 H C -3.090 172.233 175.328 -0.008 0.000 1.129 295 H CA -1.157 54.889 56.048 -0.004 0.000 1.230 295 H CB 3.458 33.231 29.762 0.019 0.000 1.827 295 H HN 0.490 nan 8.280 nan 0.000 0.530 296 P HA 0.380 nan 4.420 nan 0.000 0.290 296 P C -0.979 176.243 177.300 -0.129 0.000 1.283 296 P CA -0.705 62.276 63.100 -0.199 0.000 0.869 296 P CB 2.034 33.677 31.700 -0.095 0.000 1.100 297 I N -2.318 118.292 120.570 0.067 0.000 3.095 297 I HA 0.786 4.957 4.170 0.001 0.000 0.310 297 I C -0.154 176.062 176.117 0.166 0.000 1.196 297 I CA -1.281 60.095 61.300 0.127 0.000 0.985 297 I CB 2.022 40.137 38.000 0.191 0.000 1.250 297 I HN 0.363 nan 8.210 nan 0.000 0.446 298 G N 1.306 110.165 108.800 0.097 0.000 2.621 298 G HA2 0.192 4.152 3.960 0.001 0.000 0.271 298 G HA3 0.192 4.152 3.960 0.001 0.000 0.271 298 G C 0.090 175.046 174.900 0.095 0.000 1.236 298 G CA -0.098 45.014 45.100 0.019 0.000 0.958 298 G HN 0.897 nan 8.290 nan 0.000 0.512 299 Y N -2.284 118.065 120.300 0.082 0.000 2.457 299 Y HA 0.046 4.596 4.550 0.001 0.000 0.292 299 Y C 2.196 178.143 175.900 0.077 0.000 1.125 299 Y CA 0.379 58.523 58.100 0.074 0.000 1.254 299 Y CB -0.420 38.116 38.460 0.127 0.000 1.012 299 Y HN 0.340 nan 8.280 nan 0.000 0.555 300 Y N 1.511 121.808 120.300 -0.004 0.000 2.097 300 Y HA -0.214 4.336 4.550 0.000 0.000 0.282 300 Y C 2.022 177.933 175.900 0.018 0.000 1.152 300 Y CA 1.002 59.104 58.100 0.004 0.000 1.136 300 Y CB -1.094 37.348 38.460 -0.031 0.000 0.975 300 Y HN 0.226 nan 8.280 nan 0.000 0.498 301 D N -0.587 119.967 120.400 0.257 0.000 2.219 301 D HA -0.068 4.572 4.640 0.001 0.000 0.205 301 D C 2.201 178.590 176.300 0.148 0.000 0.970 301 D CA 1.118 55.310 54.000 0.320 0.000 0.851 301 D CB -0.329 40.667 40.800 0.327 0.000 0.943 301 D HN 0.304 nan 8.370 nan 0.000 0.488 302 A N 0.549 123.390 122.820 0.035 0.000 1.855 302 A HA -0.217 4.104 4.320 0.001 0.000 0.215 302 A C 2.154 179.596 177.584 -0.236 0.000 1.191 302 A CA 1.611 53.529 52.037 -0.198 0.000 0.613 302 A CB -0.733 17.958 19.000 -0.515 0.000 0.829 302 A HN 0.164 nan 8.150 nan 0.000 0.442 303 Q N -0.217 119.489 119.800 -0.157 0.000 2.029 303 Q HA -0.242 4.098 4.340 0.001 0.000 0.209 303 Q C 2.316 178.158 176.000 -0.262 0.000 0.999 303 Q CA 3.010 58.698 55.803 -0.190 0.000 0.857 303 Q CB -0.185 28.498 28.738 -0.093 0.000 0.926 303 Q HN 0.489 nan 8.270 nan 0.000 0.415 304 K N -1.006 119.197 120.400 -0.328 0.000 2.077 304 K HA -0.180 4.141 4.320 0.001 0.000 0.213 304 K C 2.121 178.477 176.600 -0.407 0.000 1.051 304 K CA 1.594 57.533 56.287 -0.580 0.000 0.929 304 K CB -1.274 30.423 32.500 -1.339 0.000 0.715 304 K HN 0.257 nan 8.250 nan 0.000 0.451 305 L N 0.089 121.195 121.223 -0.195 0.000 2.240 305 L HA 0.207 4.547 4.340 0.001 0.000 0.211 305 L C 2.300 179.158 176.870 -0.021 0.000 1.106 305 L CA 1.105 55.929 54.840 -0.025 0.000 0.793 305 L CB -1.007 41.104 42.059 0.086 0.000 0.927 305 L HN 0.366 nan 8.230 nan 0.000 0.446 306 L N -0.544 120.587 121.223 -0.153 0.000 2.307 306 L HA -0.037 4.303 4.340 0.001 0.000 0.211 306 L C 2.735 179.491 176.870 -0.189 0.000 1.099 306 L CA 0.823 55.553 54.840 -0.185 0.000 0.816 306 L CB -0.406 41.440 42.059 -0.354 0.000 0.952 306 L HN 0.473 nan 8.230 nan 0.000 0.455 307 E N 1.094 121.154 120.200 -0.234 0.000 2.208 307 E HA -0.206 4.144 4.350 0.001 0.000 0.193 307 E C 1.150 177.629 176.600 -0.200 0.000 0.988 307 E CA 0.912 57.171 56.400 -0.236 0.000 0.828 307 E CB -0.081 29.465 29.700 -0.256 0.000 0.763 307 E HN 0.410 nan 8.360 nan 0.000 0.478 308 K N 0.482 120.733 120.400 -0.248 0.000 2.469 308 K HA 0.203 4.523 4.320 0.001 0.000 0.201 308 K C 0.203 176.935 176.600 0.220 0.000 1.028 308 K CA -0.180 55.954 56.287 -0.255 0.000 1.170 308 K CB 0.228 32.135 32.500 -0.987 0.000 0.874 308 K HN 0.178 nan 8.250 nan 0.000 0.507 309 M N 1.233 120.933 119.600 0.167 0.000 2.188 309 M HA 0.093 4.573 4.480 0.001 0.000 0.354 309 M C 0.991 177.358 176.300 0.111 0.000 1.342 309 M CA 0.164 55.559 55.300 0.159 0.000 1.117 309 M CB 1.062 33.693 32.600 0.051 0.000 1.670 309 M HN 0.231 nan 8.290 nan 0.000 0.466 310 G N 2.000 110.860 108.800 0.100 0.000 2.975 310 G HA2 0.606 4.567 3.960 0.001 0.000 0.159 310 G HA3 0.606 4.567 3.960 0.001 0.000 0.159 310 G C 0.498 175.430 174.900 0.053 0.000 1.525 310 G CA 0.030 45.180 45.100 0.083 0.000 1.075 310 G HN 0.935 nan 8.290 nan 0.000 0.574 311 G N -0.749 108.076 108.800 0.042 0.000 2.602 311 G HA2 -0.164 3.797 3.960 0.001 0.000 0.306 311 G HA3 -0.164 3.797 3.960 0.001 0.000 0.306 311 G C 0.537 175.455 174.900 0.030 0.000 1.301 311 G CA 0.626 45.745 45.100 0.032 0.000 0.974 311 G HN 1.509 nan 8.290 nan 0.000 0.547 312 S N 0.435 116.148 115.700 0.022 0.000 2.617 312 S HA 0.641 5.111 4.470 0.001 0.000 0.269 312 S C 0.915 175.524 174.600 0.014 0.000 1.292 312 S CA 0.103 58.307 58.200 0.006 0.000 1.010 312 S CB 1.411 64.598 63.200 -0.021 0.000 0.944 312 S HN 1.855 nan 8.310 nan 0.000 0.536 313 A N 2.931 125.753 122.820 0.002 0.000 2.492 313 A HA 0.352 4.673 4.320 0.001 0.000 0.236 313 A C -2.112 175.467 177.584 -0.008 0.000 1.078 313 A CA -0.955 51.090 52.037 0.012 0.000 0.773 313 A CB -0.851 18.149 19.000 0.000 0.000 1.023 313 A HN 0.593 nan 8.150 nan 0.000 0.504 314 P HA 0.088 nan 4.420 nan 0.000 0.268 314 P C -2.073 175.135 177.300 -0.153 0.000 1.205 314 P CA -1.020 62.089 63.100 0.016 0.000 0.771 314 P CB 0.224 32.048 31.700 0.206 0.000 0.858 315 P HA -0.094 nan 4.420 nan 0.000 0.226 315 P C 0.095 177.270 177.300 -0.207 0.000 1.153 315 P CA 1.416 64.283 63.100 -0.388 0.000 0.777 315 P CB 0.307 31.610 31.700 -0.663 0.000 0.794 316 D N -2.984 117.340 120.400 -0.127 0.000 2.804 316 D HA -0.054 4.586 4.640 0.001 0.000 0.309 316 D C 0.468 176.830 176.300 0.103 0.000 1.311 316 D CA -0.226 53.778 54.000 0.007 0.000 0.765 316 D CB -0.020 40.792 40.800 0.020 0.000 1.293 316 D HN -0.143 nan 8.370 nan 0.000 0.434 317 S N -0.453 115.304 115.700 0.094 0.000 2.440 317 S HA -0.200 4.271 4.470 0.001 0.000 0.238 317 S C 1.759 176.430 174.600 0.118 0.000 1.010 317 S CA 1.717 59.973 58.200 0.094 0.000 0.972 317 S CB -0.723 62.517 63.200 0.066 0.000 0.774 317 S HN 0.615 nan 8.310 nan 0.000 0.501 318 S N -0.646 115.163 115.700 0.183 0.000 2.489 318 S HA 0.042 4.512 4.470 0.001 0.000 0.228 318 S C 1.087 175.798 174.600 0.185 0.000 0.995 318 S CA 0.042 58.354 58.200 0.187 0.000 0.934 318 S CB -0.757 62.578 63.200 0.224 0.000 0.771 318 S HN 0.709 nan 8.310 nan 0.000 0.522 319 W N 2.503 123.787 121.300 -0.027 0.000 3.139 319 W HA 0.414 5.074 4.660 0.000 0.000 0.260 319 W C 1.430 177.882 176.519 -0.112 0.000 1.312 319 W CA -0.084 57.239 57.345 -0.038 0.000 1.606 319 W CB -0.216 29.264 29.460 0.034 0.000 1.118 319 W HN 0.369 nan 8.180 nan 0.000 0.675 320 R N 0.772 121.235 120.500 -0.062 0.000 2.393 320 R HA 0.719 5.060 4.340 0.001 0.000 0.310 320 R C 0.417 176.322 176.300 -0.658 0.000 0.968 320 R CA 0.054 55.842 56.100 -0.521 0.000 0.867 320 R CB 0.185 30.426 30.300 -0.099 0.000 1.124 320 R HN 0.090 nan 8.270 nan 0.000 0.450 321 G N -0.541 107.476 108.800 -1.306 0.000 2.773 321 G HA2 0.362 4.322 3.960 0.001 0.000 0.186 321 G HA3 0.362 4.322 3.960 0.001 0.000 0.186 321 G C 0.748 175.642 174.900 -0.010 0.000 1.411 321 G CA 0.548 45.404 45.100 -0.407 0.000 1.054 321 G HN 0.581 nan 8.290 nan 0.000 0.579 322 S N -0.929 114.855 115.700 0.140 0.000 2.511 322 S HA 0.253 4.723 4.470 0.001 0.000 0.214 322 S C 0.714 175.374 174.600 0.100 0.000 0.997 322 S CA -0.446 57.812 58.200 0.096 0.000 0.908 322 S CB -0.175 63.026 63.200 0.000 0.000 0.803 322 S HN 0.133 nan 8.310 nan 0.000 0.504 323 L N 2.332 123.658 121.223 0.171 0.000 2.473 323 L HA 0.161 4.501 4.340 0.001 0.000 0.268 323 L C 0.725 177.578 176.870 -0.028 0.000 1.215 323 L CA 0.337 55.183 54.840 0.010 0.000 0.823 323 L CB 0.095 42.117 42.059 -0.060 0.000 1.099 323 L HN -0.190 nan 8.230 nan 0.000 0.483 324 K N 1.685 122.038 120.400 -0.078 0.000 2.278 324 K HA 0.400 4.721 4.320 0.001 0.000 0.237 324 K C -0.299 176.205 176.600 -0.159 0.000 1.229 324 K CA -0.325 55.912 56.287 -0.082 0.000 1.155 324 K CB -1.019 31.444 32.500 -0.062 0.000 1.590 324 K HN 0.472 nan 8.250 nan 0.000 0.290 325 V N -2.095 117.656 119.914 -0.272 0.000 3.130 325 V HA 0.580 4.700 4.120 0.001 0.000 0.310 325 V C -1.967 173.933 176.094 -0.322 0.000 1.158 325 V CA -2.044 60.036 62.300 -0.366 0.000 1.029 325 V CB 2.097 33.571 31.823 -0.581 0.000 1.057 325 V HN 0.238 nan 8.190 nan 0.000 0.436 326 P HA 0.036 nan 4.420 nan 0.000 0.222 326 P C 0.025 177.349 177.300 0.041 0.000 1.153 326 P CA 1.079 64.146 63.100 -0.056 0.000 0.798 326 P CB -0.136 31.548 31.700 -0.027 0.000 0.796 327 Y N -1.812 118.423 120.300 -0.109 0.000 4.134 327 Y HA -0.182 4.368 4.550 0.001 0.000 0.234 327 Y C 0.293 176.176 175.900 -0.028 0.000 1.200 327 Y CA -0.347 57.633 58.100 -0.199 0.000 1.958 327 Y CB -3.206 35.175 38.460 -0.130 0.000 1.605 327 Y HN 0.086 nan 8.280 nan 0.000 0.690 328 N N 0.312 119.062 118.700 0.083 0.000 2.374 328 N HA 0.100 4.840 4.740 0.001 0.000 0.241 328 N C 1.140 176.772 175.510 0.203 0.000 1.262 328 N CA 0.573 53.695 53.050 0.120 0.000 0.880 328 N CB 1.141 39.667 38.487 0.065 0.000 1.105 328 N HN 0.121 nan 8.380 nan 0.000 0.438 329 V N 0.370 120.409 119.914 0.210 0.000 3.235 329 V HA 0.128 4.249 4.120 0.001 0.000 0.259 329 V C 1.423 177.616 176.094 0.165 0.000 1.133 329 V CA 1.231 63.691 62.300 0.267 0.000 1.128 329 V CB -1.136 30.781 31.823 0.156 0.000 0.757 329 V HN 1.030 nan 8.190 nan 0.000 0.469 330 G N 0.982 109.838 108.800 0.093 0.000 2.568 330 G HA2 -0.140 3.820 3.960 0.001 0.000 0.222 330 G HA3 -0.140 3.820 3.960 0.001 0.000 0.222 330 G C -2.738 172.179 174.900 0.029 0.000 1.321 330 G CA -0.337 44.785 45.100 0.037 0.000 0.893 330 G HN 0.280 nan 8.290 nan 0.000 0.569 331 P HA 0.503 nan 4.420 nan 0.000 0.274 331 P C 0.809 178.061 177.300 -0.080 0.000 1.246 331 P CA 1.622 64.704 63.100 -0.030 0.000 0.795 331 P CB 0.546 32.235 31.700 -0.019 0.000 1.006 332 G N -0.149 108.535 108.800 -0.193 0.000 2.860 332 G HA2 -0.172 3.788 3.960 0.001 0.000 0.553 332 G HA3 -0.172 3.788 3.960 0.001 0.000 0.553 332 G C -0.796 173.915 174.900 -0.315 0.000 1.439 332 G CA -0.750 44.170 45.100 -0.301 0.000 0.879 332 G HN 0.343 nan 8.290 nan 0.000 0.545 333 F N 0.379 120.362 119.950 0.055 0.000 2.378 333 F HA 0.561 5.088 4.527 0.000 0.000 0.325 333 F C 1.842 177.708 175.800 0.111 0.000 1.097 333 F CA -0.039 57.999 58.000 0.065 0.000 1.079 333 F CB 0.808 39.849 39.000 0.068 0.000 1.240 333 F HN 0.678 nan 8.300 nan 0.000 0.519 338 S N 0.267 116.130 115.700 0.271 0.000 2.547 338 S HA -0.465 4.006 4.470 0.001 0.000 0.428 338 S C 1.692 176.453 174.600 0.270 0.000 1.180 338 S CA 3.056 61.381 58.200 0.210 0.000 2.217 338 S CB -0.996 62.275 63.200 0.118 0.000 1.761 338 S HN 0.661 nan 8.310 nan 0.000 0.498 339 T N -0.742 113.976 114.554 0.274 0.000 3.421 339 T HA 0.110 4.460 4.350 0.001 0.000 0.277 339 T C -0.613 174.203 174.700 0.194 0.000 0.867 339 T CA 0.250 62.453 62.100 0.172 0.000 0.957 339 T CB -0.025 68.919 68.868 0.126 0.000 1.225 339 T HN 0.533 nan 8.240 nan 0.000 0.544 340 Q N 1.918 121.881 119.800 0.270 0.000 2.368 340 Q HA 0.624 4.965 4.340 0.001 0.000 0.237 340 Q C -0.683 175.569 176.000 0.419 0.000 0.987 340 Q CA -0.468 55.500 55.803 0.276 0.000 0.896 340 Q CB 1.065 29.912 28.738 0.182 0.000 1.241 340 Q HN 0.065 nan 8.270 nan 0.000 0.485 341 K N 0.239 120.831 120.400 0.320 0.000 2.352 341 K HA 0.569 4.889 4.320 0.001 0.000 0.240 341 K C -0.759 176.010 176.600 0.281 0.000 1.017 341 K CA -0.847 55.592 56.287 0.252 0.000 0.851 341 K CB 2.090 34.660 32.500 0.117 0.000 1.261 341 K HN 0.475 nan 8.250 nan 0.000 0.451 342 V N 1.698 121.717 119.914 0.175 0.000 2.439 342 V HA 0.464 4.584 4.120 0.001 0.000 0.282 342 V C -0.015 176.102 176.094 0.037 0.000 1.039 342 V CA -0.482 61.905 62.300 0.145 0.000 0.913 342 V CB 1.337 33.238 31.823 0.131 0.000 0.983 342 V HN 0.606 nan 8.190 nan 0.000 0.460 343 K N 4.897 125.294 120.400 -0.004 0.000 2.397 343 K HA 0.662 4.982 4.320 0.001 0.000 0.253 343 K C -1.141 175.241 176.600 -0.364 0.000 0.932 343 K CA -0.661 55.522 56.287 -0.173 0.000 0.795 343 K CB 1.729 34.126 32.500 -0.171 0.000 1.159 343 K HN 0.631 nan 8.250 nan 0.000 0.424 344 M N 3.198 122.517 119.600 -0.467 0.000 2.472 344 M HA 0.323 4.804 4.480 0.001 0.000 0.331 344 M C -0.673 175.141 176.300 -0.810 0.000 1.170 344 M CA -0.690 54.325 55.300 -0.475 0.000 1.009 344 M CB 1.536 33.992 32.600 -0.240 0.000 1.672 344 M HN 0.450 nan 8.290 nan 0.000 0.453 345 H N 4.238 123.031 119.070 -0.462 0.000 2.866 345 H HA 0.429 4.985 4.556 0.001 0.000 0.287 345 H C -1.149 173.850 175.328 -0.548 0.000 1.106 345 H CA -0.496 55.273 56.048 -0.465 0.000 1.396 345 H CB 0.976 30.410 29.762 -0.547 0.000 1.469 345 H HN 0.408 nan 8.280 nan 0.000 0.500 346 I N 2.985 123.197 120.570 -0.597 0.000 2.406 346 I HA 0.149 4.319 4.170 0.001 0.000 0.290 346 I C 0.250 175.944 176.117 -0.705 0.000 0.999 346 I CA -0.524 60.487 61.300 -0.482 0.000 1.124 346 I CB 1.388 39.275 38.000 -0.189 0.000 1.289 346 I HN 0.694 nan 8.210 nan 0.000 0.441 347 H N 1.415 120.513 119.070 0.048 0.000 3.052 347 H HA 0.232 4.789 4.556 0.001 0.000 0.257 347 H C 0.506 175.864 175.328 0.050 0.000 1.193 347 H CA -0.200 55.876 56.048 0.047 0.000 1.072 347 H CB 0.622 30.410 29.762 0.043 0.000 1.685 347 H HN 0.423 nan 8.280 nan 0.000 0.630 348 S N 1.954 117.717 115.700 0.106 0.000 2.558 348 S HA 0.141 4.612 4.470 0.001 0.000 0.291 348 S C 0.747 175.406 174.600 0.097 0.000 1.306 348 S CA 0.356 58.614 58.200 0.098 0.000 1.056 348 S CB 0.522 63.809 63.200 0.146 0.000 0.836 348 S HN 0.541 nan 8.310 nan 0.000 0.504 349 T N 0.608 115.216 114.554 0.090 0.000 2.885 349 T HA 0.480 4.831 4.350 0.001 0.000 0.285 349 T C -0.670 174.071 174.700 0.069 0.000 1.019 349 T CA -1.179 60.972 62.100 0.086 0.000 1.010 349 T CB 0.828 69.747 68.868 0.086 0.000 1.022 349 T HN 0.401 nan 8.240 nan 0.000 0.466 350 N N 2.393 121.135 118.700 0.070 0.000 2.479 350 N HA 0.427 5.168 4.740 0.001 0.000 0.285 350 N C -0.458 175.089 175.510 0.062 0.000 1.075 350 N CA -0.509 52.576 53.050 0.059 0.000 0.967 350 N CB 1.256 39.826 38.487 0.138 0.000 1.137 350 N HN 0.882 nan 8.380 nan 0.000 0.472 351 E N -0.845 119.380 120.200 0.040 0.000 2.352 351 E HA 0.282 4.632 4.350 0.001 0.000 0.280 351 E C -1.201 175.421 176.600 0.036 0.000 0.930 351 E CA -0.926 55.508 56.400 0.057 0.000 0.765 351 E CB 1.000 30.758 29.700 0.097 0.000 1.219 351 E HN -0.003 nan 8.360 nan 0.000 0.434 352 V N 2.301 122.232 119.914 0.028 0.000 2.529 352 V HA 0.235 4.356 4.120 0.001 0.000 0.292 352 V C -0.248 175.853 176.094 0.012 0.000 1.028 352 V CA 0.630 62.936 62.300 0.011 0.000 1.074 352 V CB 0.699 32.522 31.823 -0.000 0.000 0.958 352 V HN 0.793 nan 8.190 nan 0.000 0.481 353 T N 5.367 119.921 114.554 -0.001 0.000 2.956 353 T HA 0.392 4.743 4.350 0.001 0.000 0.312 353 T C -0.349 174.338 174.700 -0.022 0.000 1.151 353 T CA -0.764 61.340 62.100 0.007 0.000 1.024 353 T CB 1.661 70.558 68.868 0.049 0.000 1.140 353 T HN 0.705 nan 8.240 nan 0.000 0.473 354 R N 2.780 123.254 120.500 -0.044 0.000 2.438 354 R HA 0.613 4.953 4.340 0.001 0.000 0.287 354 R C -0.209 176.011 176.300 -0.132 0.000 1.077 354 R CA -0.334 55.687 56.100 -0.132 0.000 1.034 354 R CB 0.154 30.310 30.300 -0.241 0.000 0.993 354 R HN 0.732 nan 8.270 nan 0.000 0.459 355 I N 0.419 120.870 120.570 -0.197 0.000 3.002 355 I HA 0.518 4.688 4.170 0.001 0.000 0.310 355 I C -1.620 174.404 176.117 -0.155 0.000 1.087 355 I CA -1.298 59.989 61.300 -0.021 0.000 1.017 355 I CB 2.208 40.266 38.000 0.098 0.000 1.226 355 I HN 0.559 nan 8.210 nan 0.000 0.443 356 Y N 1.683 122.119 120.300 0.227 0.000 2.354 356 Y HA 0.467 5.017 4.550 0.000 0.000 0.330 356 Y C -0.584 175.431 175.900 0.192 0.000 1.011 356 Y CA -0.855 57.381 58.100 0.226 0.000 1.099 356 Y CB 1.769 40.360 38.460 0.219 0.000 1.179 356 Y HN 0.494 nan 8.280 nan 0.000 0.442 357 N N 1.897 120.807 118.700 0.350 0.000 2.443 357 N HA 0.490 5.230 4.740 0.001 0.000 0.295 357 N C -1.067 174.504 175.510 0.101 0.000 1.076 357 N CA -0.570 52.630 53.050 0.250 0.000 0.919 357 N CB 2.426 41.136 38.487 0.372 0.000 1.176 357 N HN 0.271 nan 8.380 nan 0.000 0.487 358 V N 2.785 122.657 119.914 -0.069 0.000 2.394 358 V HA 0.399 4.519 4.120 0.001 0.000 0.282 358 V C 0.020 176.072 176.094 -0.071 0.000 1.031 358 V CA -0.599 61.621 62.300 -0.134 0.000 0.881 358 V CB 1.105 32.666 31.823 -0.435 0.000 0.982 358 V HN 0.444 nan 8.190 nan 0.000 0.451 359 I N 4.610 125.196 120.570 0.027 0.000 2.420 359 I HA 0.504 4.674 4.170 0.001 0.000 0.282 359 I C 0.643 176.868 176.117 0.181 0.000 1.019 359 I CA -0.056 61.253 61.300 0.014 0.000 1.130 359 I CB 1.243 39.228 38.000 -0.026 0.000 1.262 359 I HN 0.688 nan 8.210 nan 0.000 0.454 360 G N 4.130 113.106 108.800 0.293 0.000 2.389 360 G HA2 0.650 4.610 3.960 0.001 0.000 0.328 360 G HA3 0.650 4.610 3.960 0.001 0.000 0.328 360 G C -0.679 174.317 174.900 0.160 0.000 1.133 360 G CA -0.198 45.059 45.100 0.263 0.000 0.891 360 G HN 0.444 nan 8.290 nan 0.000 0.485 361 T N 1.310 115.940 114.554 0.126 0.000 2.841 361 T HA 0.368 4.719 4.350 0.001 0.000 0.285 361 T C -1.056 173.688 174.700 0.073 0.000 0.991 361 T CA -0.349 61.779 62.100 0.047 0.000 0.966 361 T CB 1.555 70.438 68.868 0.025 0.000 0.962 361 T HN 0.348 nan 8.240 nan 0.000 0.438 362 L N 4.276 125.520 121.223 0.036 0.000 2.301 362 L HA 0.494 4.834 4.340 0.001 0.000 0.278 362 L C 0.376 177.210 176.870 -0.061 0.000 1.022 362 L CA -0.681 54.175 54.840 0.028 0.000 0.854 362 L CB 0.582 42.687 42.059 0.077 0.000 1.226 362 L HN 0.551 nan 8.230 nan 0.000 0.429 363 R N 3.182 123.659 120.500 -0.038 0.000 2.522 363 R HA 0.335 4.675 4.340 0.001 0.000 0.284 363 R C 0.177 176.410 176.300 -0.112 0.000 1.032 363 R CA 0.401 56.471 56.100 -0.050 0.000 1.049 363 R CB 0.372 30.661 30.300 -0.019 0.000 0.956 363 R HN 0.886 nan 8.270 nan 0.000 0.422 364 G N 2.015 110.749 108.800 -0.110 0.000 2.467 364 G HA2 0.319 4.279 3.960 0.001 0.000 0.257 364 G HA3 0.319 4.279 3.960 0.001 0.000 0.257 364 G C 0.640 175.445 174.900 -0.158 0.000 1.227 364 G CA -0.012 44.984 45.100 -0.174 0.000 0.835 364 G HN 0.823 nan 8.290 nan 0.000 0.556 365 A N 1.457 124.149 122.820 -0.213 0.000 1.930 365 A HA 0.159 4.480 4.320 0.001 0.000 0.215 365 A C 2.132 179.646 177.584 -0.116 0.000 1.176 365 A CA 1.694 53.630 52.037 -0.167 0.000 0.632 365 A CB -0.054 18.819 19.000 -0.212 0.000 0.819 365 A HN 0.560 nan 8.150 nan 0.000 0.445 366 V N -0.700 119.141 119.914 -0.121 0.000 2.806 366 V HA 0.072 4.192 4.120 0.001 0.000 0.239 366 V C 0.668 176.720 176.094 -0.070 0.000 1.113 366 V CA 0.708 62.957 62.300 -0.084 0.000 1.137 366 V CB -0.274 31.501 31.823 -0.080 0.000 0.865 366 V HN 0.501 nan 8.190 nan 0.000 0.482 367 E N 1.492 121.642 120.200 -0.084 0.000 3.170 367 E HA 0.204 4.554 4.350 0.001 0.000 0.212 367 E C -1.974 174.587 176.600 -0.066 0.000 1.143 367 E CA -1.573 54.783 56.400 -0.074 0.000 1.139 367 E CB 1.029 30.678 29.700 -0.084 0.000 1.346 367 E HN 0.402 nan 8.360 nan 0.000 0.432 368 P HA -0.173 nan 4.420 nan 0.000 0.222 368 P C 0.590 177.922 177.300 0.054 0.000 1.147 368 P CA 1.179 64.281 63.100 0.004 0.000 0.790 368 P CB 0.173 31.879 31.700 0.009 0.000 0.780 369 D N -1.216 119.160 120.400 -0.040 0.000 2.370 369 D HA 0.017 4.658 4.640 0.001 0.000 0.230 369 D C 0.258 176.345 176.300 -0.355 0.000 1.143 369 D CA -0.093 53.820 54.000 -0.145 0.000 0.834 369 D CB -0.062 40.682 40.800 -0.094 0.000 0.944 369 D HN -0.041 nan 8.370 nan 0.000 0.504 370 R N 0.779 121.123 120.500 -0.259 0.000 2.513 370 R HA 0.317 4.658 4.340 0.001 0.000 0.301 370 R C -1.254 175.007 176.300 -0.065 0.000 0.968 370 R CA -0.696 55.245 56.100 -0.265 0.000 0.872 370 R CB 1.122 31.331 30.300 -0.152 0.000 1.177 370 R HN 0.019 nan 8.270 nan 0.000 0.444 371 Y N 1.023 121.309 120.300 -0.024 0.000 2.335 371 Y HA 0.411 4.961 4.550 0.001 0.000 0.338 371 Y C 0.329 176.209 175.900 -0.034 0.000 0.977 371 Y CA -1.193 56.894 58.100 -0.022 0.000 1.114 371 Y CB 1.745 40.243 38.460 0.063 0.000 1.182 371 Y HN 0.094 nan 8.280 nan 0.000 0.463 372 V N 5.766 125.714 119.914 0.056 0.000 2.417 372 V HA 0.475 4.595 4.120 0.001 0.000 0.291 372 V C -0.123 175.871 176.094 -0.167 0.000 1.024 372 V CA -0.787 61.483 62.300 -0.051 0.000 0.861 372 V CB 1.522 33.263 31.823 -0.136 0.000 0.985 372 V HN 0.579 nan 8.190 nan 0.000 0.436 373 I N 5.621 126.109 120.570 -0.137 0.000 2.406 373 I HA 0.435 4.605 4.170 0.001 0.000 0.290 373 I C -0.888 174.977 176.117 -0.420 0.000 0.999 373 I CA -0.751 60.406 61.300 -0.238 0.000 1.124 373 I CB 1.914 39.905 38.000 -0.015 0.000 1.289 373 I HN 0.376 nan 8.210 nan 0.000 0.441 374 L N 6.257 127.204 121.223 -0.460 0.000 2.298 374 L HA 0.829 5.169 4.340 0.001 0.000 0.284 374 L C -0.131 176.554 176.870 -0.309 0.000 1.013 374 L CA 0.120 54.743 54.840 -0.361 0.000 0.824 374 L CB 1.209 43.184 42.059 -0.140 0.000 1.221 374 L HN 0.643 nan 8.230 nan 0.000 0.418 375 G N 2.441 111.041 108.800 -0.334 0.000 2.638 375 G HA2 0.761 4.721 3.960 0.001 0.000 0.302 375 G HA3 0.761 4.721 3.960 0.001 0.000 0.302 375 G C -1.058 173.944 174.900 0.169 0.000 1.365 375 G CA -0.224 44.816 45.100 -0.099 0.000 0.987 375 G HN 0.957 nan 8.290 nan 0.000 0.495 376 G N -0.170 108.694 108.800 0.108 0.000 2.623 376 G HA2 0.632 4.592 3.960 0.001 0.000 0.290 376 G HA3 0.632 4.592 3.960 0.001 0.000 0.290 376 G C -1.055 174.051 174.900 0.343 0.000 1.437 376 G CA -0.728 44.591 45.100 0.363 0.000 0.798 376 G HN 1.216 nan 8.290 nan 0.000 0.488 377 H N -1.449 117.812 119.070 0.319 0.000 2.488 377 H HA 0.713 5.269 4.556 0.000 0.000 0.347 377 H C 1.026 176.416 175.328 0.103 0.000 1.174 377 H CA -0.738 55.468 56.048 0.263 0.000 1.307 377 H CB 1.932 31.859 29.762 0.276 0.000 1.517 377 H HN 0.489 nan 8.280 nan 0.000 0.554 378 R N 0.220 120.734 120.500 0.024 0.000 2.250 378 R HA -0.001 4.339 4.340 0.001 0.000 0.194 378 R C -0.317 175.936 176.300 -0.079 0.000 0.927 378 R CA 0.133 56.141 56.100 -0.154 0.000 1.052 378 R CB 0.271 30.451 30.300 -0.200 0.000 1.055 378 R HN 0.946 nan 8.270 nan 0.000 0.537 379 D N 1.295 121.763 120.400 0.114 0.000 2.372 379 D HA 0.021 4.661 4.640 0.001 0.000 0.243 379 D C -0.630 175.735 176.300 0.109 0.000 1.121 379 D CA 0.052 54.129 54.000 0.129 0.000 0.898 379 D CB 1.546 42.442 40.800 0.159 0.000 1.202 379 D HN 0.131 nan 8.370 nan 0.000 0.428 380 S N 0.484 116.206 115.700 0.036 0.000 2.599 380 S HA 0.323 4.793 4.470 0.001 0.000 0.294 380 S C 0.431 174.954 174.600 -0.129 0.000 1.094 380 S CA -1.050 57.150 58.200 0.000 0.000 0.931 380 S CB 1.143 64.406 63.200 0.105 0.000 1.093 380 S HN 0.701 nan 8.310 nan 0.000 0.488 381 W N 0.600 121.866 121.300 -0.056 0.000 2.379 381 W HA 0.048 4.708 4.660 0.000 0.000 0.307 381 W C 1.518 177.977 176.519 -0.100 0.000 1.200 381 W CA 1.068 58.331 57.345 -0.138 0.000 1.297 381 W CB -0.046 29.208 29.460 -0.344 0.000 1.140 381 W HN 0.523 nan 8.180 nan 0.000 0.507 382 V N -2.574 117.392 119.914 0.086 0.000 5.259 382 V HA 0.090 4.210 4.120 0.001 0.000 0.136 382 V C 0.812 176.712 176.094 -0.323 0.000 0.888 382 V CA -0.079 62.090 62.300 -0.218 0.000 1.412 382 V CB -0.794 30.848 31.823 -0.302 0.000 2.358 382 V HN -0.186 nan 8.190 nan 0.000 0.398 383 F N 1.651 121.648 119.950 0.078 0.000 2.569 383 F HA 0.438 4.966 4.527 0.000 0.000 0.295 383 F C 1.881 177.784 175.800 0.172 0.000 1.115 383 F CA 0.909 58.972 58.000 0.106 0.000 1.450 383 F CB -0.596 38.437 39.000 0.056 0.000 1.107 383 F HN 0.542 nan 8.300 nan 0.000 0.563 384 G N 0.599 109.566 108.800 0.279 0.000 2.273 384 G HA2 -0.261 3.699 3.960 0.001 0.000 0.280 384 G HA3 -0.261 3.699 3.960 0.001 0.000 0.280 384 G C 1.387 176.445 174.900 0.263 0.000 1.047 384 G CA 0.244 45.494 45.100 0.251 0.000 0.869 384 G HN 0.676 nan 8.290 nan 0.000 0.502 385 G N -0.322 108.644 108.800 0.276 0.000 2.476 385 G HA2 -0.114 3.847 3.960 0.001 0.000 0.218 385 G HA3 -0.114 3.847 3.960 0.001 0.000 0.218 385 G C 1.687 176.688 174.900 0.168 0.000 1.164 385 G CA 1.492 46.739 45.100 0.245 0.000 0.768 385 G HN 0.642 nan 8.290 nan 0.000 0.560 386 I N -0.502 120.131 120.570 0.104 0.000 2.681 386 I HA 0.117 4.287 4.170 0.001 0.000 0.247 386 I C 0.269 176.462 176.117 0.128 0.000 1.091 386 I CA 0.184 61.479 61.300 -0.008 0.000 1.442 386 I CB 0.233 38.041 38.000 -0.319 0.000 1.219 386 I HN -0.020 nan 8.210 nan 0.000 0.451 387 D N 2.353 122.913 120.400 0.267 0.000 2.456 387 D HA 0.164 4.804 4.640 0.001 0.000 0.219 387 D C -1.988 174.445 176.300 0.221 0.000 1.126 387 D CA -2.233 51.962 54.000 0.326 0.000 0.890 387 D CB 1.235 42.378 40.800 0.572 0.000 1.025 387 D HN 0.074 nan 8.370 nan 0.000 0.511 388 P HA 0.091 nan 4.420 nan 0.000 0.291 388 P C 0.606 177.924 177.300 0.029 0.000 1.388 388 P CA -0.032 63.019 63.100 -0.081 0.000 1.061 388 P CB 0.883 32.209 31.700 -0.623 0.000 1.534 389 Q N 0.437 120.314 119.800 0.128 0.000 2.378 389 Q HA -0.008 4.332 4.340 0.001 0.000 0.205 389 Q C 1.925 178.110 176.000 0.308 0.000 0.954 389 Q CA 1.344 57.292 55.803 0.241 0.000 0.901 389 Q CB -0.761 28.182 28.738 0.342 0.000 0.981 389 Q HN 0.383 nan 8.270 nan 0.000 0.483 390 S N -0.293 115.562 115.700 0.257 0.000 2.453 390 S HA -0.028 4.443 4.470 0.001 0.000 0.231 390 S C 1.943 176.664 174.600 0.202 0.000 1.005 390 S CA 0.889 59.277 58.200 0.313 0.000 0.949 390 S CB -0.370 62.941 63.200 0.185 0.000 0.774 390 S HN 0.411 nan 8.310 nan 0.000 0.510 391 G N 1.429 110.317 108.800 0.147 0.000 2.408 391 G HA2 0.253 4.213 3.960 0.001 0.000 0.213 391 G HA3 0.253 4.213 3.960 0.001 0.000 0.213 391 G C 1.641 176.661 174.900 0.200 0.000 1.177 391 G CA 0.420 45.604 45.100 0.140 0.000 0.802 391 G HN 0.678 nan 8.290 nan 0.000 0.533 392 A N 1.206 124.148 122.820 0.203 0.000 1.940 392 A HA 0.241 4.561 4.320 0.001 0.000 0.219 392 A C 2.732 180.585 177.584 0.449 0.000 1.176 392 A CA 2.275 54.459 52.037 0.246 0.000 0.631 392 A CB -0.636 18.414 19.000 0.083 0.000 0.814 392 A HN 0.717 nan 8.150 nan 0.000 0.446 393 A N -0.721 122.388 122.820 0.482 0.000 1.929 393 A HA 0.099 4.419 4.320 0.001 0.000 0.216 393 A C 2.186 180.037 177.584 0.446 0.000 1.176 393 A CA 1.443 53.753 52.037 0.455 0.000 0.628 393 A CB -0.798 18.402 19.000 0.334 0.000 0.816 393 A HN 0.346 nan 8.150 nan 0.000 0.444 394 V N -0.188 119.948 119.914 0.371 0.000 2.287 394 V HA -0.262 3.858 4.120 0.001 0.000 0.248 394 V C 2.581 178.836 176.094 0.268 0.000 1.053 394 V CA 2.173 64.646 62.300 0.290 0.000 1.027 394 V CB -0.801 31.152 31.823 0.218 0.000 0.646 394 V HN 0.379 nan 8.190 nan 0.000 0.447 395 V N -0.769 119.317 119.914 0.287 0.000 2.343 395 V HA -0.294 3.827 4.120 0.001 0.000 0.247 395 V C 2.375 178.634 176.094 0.275 0.000 1.051 395 V CA 2.339 64.801 62.300 0.269 0.000 1.036 395 V CB -0.898 31.103 31.823 0.298 0.000 0.654 395 V HN 0.597 nan 8.190 nan 0.000 0.451 396 H N 0.289 119.519 119.070 0.266 0.000 2.319 396 H HA -0.207 4.350 4.556 0.001 0.000 0.297 396 H C 2.292 177.625 175.328 0.010 0.000 1.097 396 H CA 2.302 58.470 56.048 0.200 0.000 1.285 396 H CB -0.036 29.702 29.762 -0.039 0.000 1.368 396 H HN 0.449 nan 8.280 nan 0.000 0.495 397 E N 0.263 120.595 120.200 0.220 0.000 2.072 397 E HA -0.091 4.260 4.350 0.001 0.000 0.191 397 E C 2.356 178.935 176.600 -0.034 0.000 0.985 397 E CA 1.226 57.716 56.400 0.149 0.000 0.801 397 E CB -0.445 29.411 29.700 0.260 0.000 0.750 397 E HN 0.560 nan 8.360 nan 0.000 0.452 398 I N -0.183 120.414 120.570 0.046 0.000 2.113 398 I HA -0.359 3.812 4.170 0.001 0.000 0.242 398 I C 2.279 178.433 176.117 0.062 0.000 1.064 398 I CA 1.379 62.748 61.300 0.116 0.000 1.320 398 I CB -0.532 37.645 38.000 0.294 0.000 1.028 398 I HN 0.050 nan 8.210 nan 0.000 0.406 399 V N 0.649 120.446 119.914 -0.194 0.000 2.332 399 V HA -0.316 3.804 4.120 0.001 0.000 0.248 399 V C 2.631 178.538 176.094 -0.311 0.000 1.055 399 V CA 2.147 64.137 62.300 -0.518 0.000 1.038 399 V CB -0.876 30.361 31.823 -0.978 0.000 0.651 399 V HN 0.432 nan 8.190 nan 0.000 0.450 400 R N -0.084 120.115 120.500 -0.501 0.000 2.081 400 R HA -0.187 4.154 4.340 0.001 0.000 0.235 400 R C 2.653 178.739 176.300 -0.356 0.000 1.131 400 R CA 1.914 57.522 56.100 -0.820 0.000 0.960 400 R CB -0.457 29.164 30.300 -1.131 0.000 0.856 400 R HN 0.504 nan 8.270 nan 0.000 0.436 401 S N -0.339 115.204 115.700 -0.263 0.000 2.368 401 S HA -0.133 4.338 4.470 0.001 0.000 0.225 401 S C 1.756 176.331 174.600 -0.042 0.000 1.030 401 S CA 1.149 59.211 58.200 -0.229 0.000 0.999 401 S CB -0.302 62.641 63.200 -0.428 0.000 0.844 401 S HN 0.375 nan 8.310 nan 0.000 0.459 402 F N 1.895 121.939 119.950 0.157 0.000 2.186 402 F HA 0.143 4.670 4.527 0.000 0.000 0.299 402 F C 2.630 178.522 175.800 0.153 0.000 1.090 402 F CA 0.908 59.040 58.000 0.221 0.000 1.307 402 F CB -1.140 38.027 39.000 0.279 0.000 1.019 402 F HN 0.356 nan 8.300 nan 0.000 0.489 403 G N -1.170 107.763 108.800 0.221 0.000 2.422 403 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 403 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 403 G C 1.743 176.721 174.900 0.130 0.000 1.146 403 G CA 1.452 46.647 45.100 0.160 0.000 0.769 403 G HN 0.296 nan 8.290 nan 0.000 0.547 404 T N 1.684 116.269 114.554 0.052 0.000 2.708 404 T HA -0.071 4.279 4.350 0.001 0.000 0.266 404 T C 2.414 177.154 174.700 0.066 0.000 1.037 404 T CA 1.101 63.214 62.100 0.021 0.000 1.146 404 T CB -0.243 68.589 68.868 -0.061 0.000 0.865 404 T HN 0.177 nan 8.240 nan 0.000 0.435 405 L N 0.842 122.112 121.223 0.079 0.000 2.083 405 L HA -0.082 4.259 4.340 0.001 0.000 0.209 405 L C 2.717 179.771 176.870 0.307 0.000 1.083 405 L CA 1.410 56.306 54.840 0.094 0.000 0.752 405 L CB -0.736 41.212 42.059 -0.186 0.000 0.899 405 L HN 0.240 nan 8.230 nan 0.000 0.433 406 K N 1.214 121.850 120.400 0.393 0.000 2.097 406 K HA -0.202 4.118 4.320 0.001 0.000 0.206 406 K C 2.083 178.812 176.600 0.215 0.000 1.049 406 K CA 1.446 57.950 56.287 0.362 0.000 0.933 406 K CB 0.095 32.774 32.500 0.299 0.000 0.717 406 K HN 0.210 nan 8.250 nan 0.000 0.442 407 K N 0.222 120.719 120.400 0.162 0.000 2.148 407 K HA -0.076 4.244 4.320 0.001 0.000 0.204 407 K C 1.543 178.203 176.600 0.101 0.000 1.050 407 K CA 1.306 57.660 56.287 0.112 0.000 0.942 407 K CB 0.267 32.819 32.500 0.088 0.000 0.724 407 K HN 0.030 nan 8.250 nan 0.000 0.446 408 E N -0.420 119.847 120.200 0.112 0.000 2.463 408 E HA 0.071 4.421 4.350 0.001 0.000 0.191 408 E C 0.900 177.579 176.600 0.132 0.000 1.083 408 E CA 0.439 56.898 56.400 0.099 0.000 0.872 408 E CB -0.045 29.703 29.700 0.080 0.000 0.966 408 E HN 0.616 nan 8.360 nan 0.000 0.491 409 G N 0.429 109.321 108.800 0.154 0.000 2.159 409 G HA2 -0.306 3.655 3.960 0.001 0.000 0.256 409 G HA3 -0.306 3.655 3.960 0.001 0.000 0.256 409 G C -0.012 175.021 174.900 0.222 0.000 0.977 409 G CA 0.164 45.357 45.100 0.155 0.000 0.652 409 G HN 0.573 nan 8.290 nan 0.000 0.531 410 W N 1.207 122.547 121.300 0.066 0.000 2.237 410 W HA 0.753 5.414 4.660 0.000 0.000 0.335 410 W C 0.402 176.959 176.519 0.062 0.000 1.230 410 W CA -0.836 56.553 57.345 0.073 0.000 1.253 410 W CB 0.638 30.162 29.460 0.108 0.000 1.129 410 W HN 0.134 nan 8.180 nan 0.000 0.590 411 R N 5.108 125.197 120.500 -0.684 0.000 2.686 411 R HA 0.393 4.733 4.340 0.001 0.000 0.283 411 R C -2.288 172.971 176.300 -1.737 0.000 0.978 411 R CA -1.928 53.626 56.100 -0.910 0.000 0.897 411 R CB 2.111 32.147 30.300 -0.440 0.000 1.192 411 R HN 0.292 nan 8.270 nan 0.000 0.457 412 P HA 0.034 nan 4.420 nan 0.000 0.272 412 P C -0.137 176.793 177.300 -0.618 0.000 1.230 412 P CA -0.188 62.231 63.100 -1.135 0.000 0.788 412 P CB 0.998 32.289 31.700 -0.681 0.000 0.949 413 R N 1.604 121.849 120.500 -0.426 0.000 2.083 413 R HA -0.115 4.225 4.340 0.001 0.000 0.237 413 R C 0.679 176.847 176.300 -0.219 0.000 1.137 413 R CA 1.340 57.280 56.100 -0.267 0.000 0.951 413 R CB 0.044 30.231 30.300 -0.188 0.000 0.851 413 R HN 0.499 nan 8.270 nan 0.000 0.434 414 R N 0.157 120.525 120.500 -0.220 0.000 2.598 414 R HA 0.215 4.556 4.340 0.001 0.000 0.279 414 R C -0.486 175.712 176.300 -0.170 0.000 0.984 414 R CA -0.585 55.419 56.100 -0.161 0.000 0.999 414 R CB 1.425 31.643 30.300 -0.137 0.000 1.114 414 R HN -0.008 nan 8.270 nan 0.000 0.493 415 T N 2.800 117.313 114.554 -0.069 0.000 2.908 415 T HA 0.093 4.443 4.350 0.001 0.000 0.301 415 T C 0.438 175.056 174.700 -0.137 0.000 1.019 415 T CA 0.453 62.525 62.100 -0.047 0.000 1.152 415 T CB -0.026 68.923 68.868 0.135 0.000 0.966 415 T HN 0.263 nan 8.240 nan 0.000 0.540 416 I N 4.174 124.566 120.570 -0.297 0.000 2.377 416 I HA 0.444 4.614 4.170 0.001 0.000 0.293 416 I C -0.152 175.578 176.117 -0.646 0.000 0.987 416 I CA -0.778 60.196 61.300 -0.543 0.000 1.185 416 I CB 1.302 38.808 38.000 -0.823 0.000 1.341 416 I HN 0.307 nan 8.210 nan 0.000 0.455 417 L N 5.725 126.529 121.223 -0.697 0.000 2.346 417 L HA 0.585 4.925 4.340 0.001 0.000 0.274 417 L C -1.243 175.166 176.870 -0.768 0.000 1.007 417 L CA -0.591 53.926 54.840 -0.539 0.000 0.818 417 L CB 1.778 43.664 42.059 -0.289 0.000 1.284 417 L HN 0.394 nan 8.230 nan 0.000 0.424 418 F N 1.292 121.055 119.950 -0.312 0.000 2.518 418 F HA 0.696 5.223 4.527 0.001 0.000 0.323 418 F C 0.210 175.824 175.800 -0.310 0.000 1.129 418 F CA -0.597 57.151 58.000 -0.421 0.000 0.920 418 F CB 2.051 40.563 39.000 -0.813 0.000 1.160 418 F HN 0.409 nan 8.300 nan 0.000 0.440 419 A N 1.605 124.268 122.820 -0.262 0.000 2.342 419 A HA 0.660 4.981 4.320 0.001 0.000 0.323 419 A C -0.602 176.751 177.584 -0.385 0.000 1.125 419 A CA -0.708 50.933 52.037 -0.660 0.000 0.785 419 A CB 1.461 19.221 19.000 -2.068 0.000 1.221 419 A HN 0.588 nan 8.150 nan 0.000 0.463 420 S N 2.603 118.133 115.700 -0.283 0.000 2.488 420 S HA 0.458 4.928 4.470 0.001 0.000 0.310 420 S C -0.791 173.715 174.600 -0.157 0.000 1.093 420 S CA -0.449 57.603 58.200 -0.247 0.000 1.129 420 S CB -0.336 62.636 63.200 -0.380 0.000 0.989 420 S HN 0.522 nan 8.310 nan 0.000 0.479 421 W N 2.853 124.221 121.300 0.114 0.000 2.237 421 W HA 0.425 5.085 4.660 0.000 0.000 0.335 421 W C 0.699 177.301 176.519 0.139 0.000 1.230 421 W CA -0.821 56.603 57.345 0.131 0.000 1.253 421 W CB 0.513 30.082 29.460 0.182 0.000 1.129 421 W HN 0.464 nan 8.180 nan 0.000 0.590 422 D N 0.035 120.677 120.400 0.403 0.000 2.384 422 D HA 0.398 5.039 4.640 0.001 0.000 0.250 422 D C 0.433 176.863 176.300 0.217 0.000 1.029 422 D CA 0.131 54.297 54.000 0.277 0.000 0.990 422 D CB 1.701 42.657 40.800 0.259 0.000 1.175 422 D HN 0.543 nan 8.370 nan 0.000 0.532 423 A N 1.337 124.260 122.820 0.171 0.000 2.798 423 A HA -0.248 4.073 4.320 0.001 0.000 0.282 423 A C 1.520 179.177 177.584 0.121 0.000 1.464 423 A CA 1.562 53.690 52.037 0.151 0.000 0.844 423 A CB -1.838 17.203 19.000 0.067 0.000 1.006 423 A HN 0.663 nan 8.150 nan 0.000 0.577 424 E N 0.044 120.259 120.200 0.025 0.000 2.077 424 E HA -0.223 4.127 4.350 0.001 0.000 0.193 424 E C 1.539 178.034 176.600 -0.174 0.000 0.989 424 E CA 1.543 57.843 56.400 -0.167 0.000 0.800 424 E CB -0.124 29.275 29.700 -0.501 0.000 0.746 424 E HN 0.754 nan 8.360 nan 0.000 0.452 425 E N -0.481 119.576 120.200 -0.238 0.000 2.331 425 E HA -0.154 4.196 4.350 0.001 0.000 0.199 425 E C 1.212 177.690 176.600 -0.203 0.000 1.008 425 E CA 0.642 56.828 56.400 -0.356 0.000 0.843 425 E CB -0.260 28.779 29.700 -1.102 0.000 0.761 425 E HN 0.336 nan 8.360 nan 0.000 0.507 426 F N -0.474 119.453 119.950 -0.039 0.000 2.639 426 F HA 0.302 4.830 4.527 0.000 0.000 0.300 426 F C 1.194 177.086 175.800 0.154 0.000 1.109 426 F CA 0.267 58.386 58.000 0.198 0.000 1.335 426 F CB 1.069 40.183 39.000 0.191 0.000 1.014 426 F HN 0.002 nan 8.300 nan 0.000 0.537 427 G N 0.258 109.145 108.800 0.145 0.000 2.189 427 G HA2 -0.159 3.801 3.960 0.001 0.000 0.113 427 G HA3 -0.159 3.801 3.960 0.001 0.000 0.113 427 G C 0.345 175.192 174.900 -0.088 0.000 1.038 427 G CA -0.395 44.710 45.100 0.008 0.000 0.704 427 G HN 0.319 nan 8.290 nan 0.000 0.490 428 L N -1.625 119.540 121.223 -0.098 0.000 3.634 428 L HA -0.260 4.081 4.340 0.001 0.000 0.423 428 L C 1.944 178.696 176.870 -0.196 0.000 1.253 428 L CA 0.782 55.516 54.840 -0.177 0.000 0.885 428 L CB -2.010 39.903 42.059 -0.243 0.000 1.789 428 L HN 0.392 nan 8.230 nan 0.000 0.904 429 L N -0.529 120.626 121.223 -0.114 0.000 2.095 429 L HA 0.007 4.347 4.340 0.001 0.000 0.204 429 L C 2.576 179.344 176.870 -0.170 0.000 1.080 429 L CA 1.612 56.371 54.840 -0.136 0.000 0.759 429 L CB -0.529 41.501 42.059 -0.048 0.000 0.914 429 L HN 0.554 nan 8.230 nan 0.000 0.439 430 G N 0.502 109.259 108.800 -0.072 0.000 2.421 430 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 430 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 430 G C 1.852 176.644 174.900 -0.181 0.000 1.171 430 G CA 1.100 46.202 45.100 0.003 0.000 0.775 430 G HN 0.483 nan 8.290 nan 0.000 0.543 431 S N 0.218 115.616 115.700 -0.504 0.000 2.368 431 S HA -0.134 4.337 4.470 0.001 0.000 0.225 431 S C 2.267 176.466 174.600 -0.668 0.000 1.030 431 S CA 2.161 59.672 58.200 -1.148 0.000 0.999 431 S CB -0.929 61.402 63.200 -1.448 0.000 0.844 431 S HN 0.275 nan 8.310 nan 0.000 0.459 432 T N 2.319 116.550 114.554 -0.537 0.000 2.674 432 T HA -0.034 4.316 4.350 0.001 0.000 0.265 432 T C 1.844 176.260 174.700 -0.473 0.000 1.039 432 T CA 1.489 63.287 62.100 -0.502 0.000 1.150 432 T CB -0.420 68.184 68.868 -0.439 0.000 0.864 432 T HN 0.393 nan 8.240 nan 0.000 0.427 433 E N 0.156 120.054 120.200 -0.504 0.000 2.085 433 E HA -0.135 4.216 4.350 0.001 0.000 0.194 433 E C 1.798 177.991 176.600 -0.678 0.000 0.994 433 E CA 0.914 56.910 56.400 -0.674 0.000 0.801 433 E CB -0.430 28.677 29.700 -0.987 0.000 0.743 433 E HN 0.659 nan 8.360 nan 0.000 0.453 434 W N 1.594 122.482 121.300 -0.687 0.000 2.355 434 W HA -0.144 4.516 4.660 0.000 0.000 0.309 434 W C 2.448 178.886 176.519 -0.136 0.000 1.206 434 W CA 2.413 59.620 57.345 -0.230 0.000 1.284 434 W CB -0.387 29.143 29.460 0.117 0.000 1.145 434 W HN 0.064 nan 8.180 nan 0.000 0.502 435 A N 0.207 122.936 122.820 -0.152 0.000 1.933 435 A HA -0.226 4.094 4.320 0.001 0.000 0.218 435 A C 1.782 179.149 177.584 -0.362 0.000 1.175 435 A CA 1.903 53.735 52.037 -0.341 0.000 0.628 435 A CB -0.837 17.802 19.000 -0.601 0.000 0.814 435 A HN 0.497 nan 8.150 nan 0.000 0.444 436 E N -0.657 119.328 120.200 -0.358 0.000 2.153 436 E HA -0.219 4.132 4.350 0.001 0.000 0.194 436 E C 1.973 178.435 176.600 -0.229 0.000 0.988 436 E CA 1.238 57.459 56.400 -0.299 0.000 0.811 436 E CB -0.110 29.398 29.700 -0.319 0.000 0.746 436 E HN 0.852 nan 8.360 nan 0.000 0.466 437 E N 0.708 120.759 120.200 -0.248 0.000 2.152 437 E HA -0.088 4.263 4.350 0.001 0.000 0.192 437 E C 1.215 177.678 176.600 -0.228 0.000 0.983 437 E CA 0.713 57.013 56.400 -0.167 0.000 0.818 437 E CB 0.289 29.941 29.700 -0.079 0.000 0.758 437 E HN 0.083 nan 8.360 nan 0.000 0.467 438 N N 0.103 118.564 118.700 -0.398 0.000 2.234 438 N HA 0.000 4.741 4.740 0.001 0.000 0.227 438 N C 1.149 176.526 175.510 -0.221 0.000 1.151 438 N CA 0.569 53.388 53.050 -0.385 0.000 0.865 438 N CB 0.941 38.938 38.487 -0.815 0.000 1.066 438 N HN 0.138 nan 8.380 nan 0.000 0.515 439 S N 1.350 116.943 115.700 -0.178 0.000 2.380 439 S HA -0.210 4.260 4.470 0.001 0.000 0.229 439 S C 1.925 176.510 174.600 -0.025 0.000 1.043 439 S CA 0.917 59.057 58.200 -0.099 0.000 1.038 439 S CB -0.193 62.941 63.200 -0.111 0.000 0.872 439 S HN 0.253 nan 8.310 nan 0.000 0.456 440 R N 1.101 121.591 120.500 -0.018 0.000 2.096 440 R HA 0.170 4.510 4.340 0.001 0.000 0.235 440 R C 2.461 178.791 176.300 0.050 0.000 1.127 440 R CA 1.542 57.653 56.100 0.018 0.000 0.968 440 R CB -0.646 29.663 30.300 0.016 0.000 0.861 440 R HN 0.440 nan 8.270 nan 0.000 0.440 441 L N 0.214 121.472 121.223 0.059 0.000 2.056 441 L HA -0.150 4.190 4.340 0.001 0.000 0.207 441 L C 2.246 179.220 176.870 0.173 0.000 1.078 441 L CA 1.182 56.102 54.840 0.134 0.000 0.749 441 L CB -0.526 41.666 42.059 0.222 0.000 0.901 441 L HN 0.201 nan 8.230 nan 0.000 0.433 442 L N -0.051 121.276 121.223 0.173 0.000 2.056 442 L HA -0.213 4.128 4.340 0.001 0.000 0.207 442 L C 2.864 179.849 176.870 0.191 0.000 1.078 442 L CA 1.393 56.381 54.840 0.247 0.000 0.749 442 L CB -0.556 41.648 42.059 0.242 0.000 0.901 442 L HN 0.438 nan 8.230 nan 0.000 0.433 443 Q N -0.459 119.427 119.800 0.144 0.000 2.230 443 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 443 Q C 1.358 177.502 176.000 0.241 0.000 0.963 443 Q CA 0.985 56.889 55.803 0.169 0.000 0.866 443 Q CB -0.049 28.760 28.738 0.119 0.000 0.931 443 Q HN 0.450 nan 8.270 nan 0.000 0.452 444 E N 0.926 121.235 120.200 0.181 0.000 2.400 444 E HA 0.049 4.399 4.350 0.001 0.000 0.195 444 E C 1.360 178.000 176.600 0.067 0.000 1.012 444 E CA 0.396 56.936 56.400 0.234 0.000 0.875 444 E CB 0.346 30.136 29.700 0.150 0.000 0.859 444 E HN 0.479 nan 8.360 nan 0.000 0.498 445 R N 0.108 120.573 120.500 -0.058 0.000 2.419 445 R HA 0.191 4.532 4.340 0.001 0.000 0.235 445 R C 0.988 177.149 176.300 -0.231 0.000 0.899 445 R CA 0.288 56.211 56.100 -0.296 0.000 1.048 445 R CB 0.838 30.724 30.300 -0.690 0.000 1.182 445 R HN -0.086 nan 8.270 nan 0.000 0.544 446 G N 1.058 109.860 108.800 0.003 0.000 2.389 446 G HA2 0.207 4.167 3.960 0.001 0.000 0.287 446 G HA3 0.207 4.167 3.960 0.001 0.000 0.287 446 G C 0.875 175.835 174.900 0.099 0.000 1.126 446 G CA -0.326 44.865 45.100 0.152 0.000 1.073 446 G HN -0.069 nan 8.290 nan 0.000 0.429 447 V N 2.588 122.561 119.914 0.099 0.000 2.302 447 V HA 0.336 4.456 4.120 0.001 0.000 0.243 447 V C 1.573 177.834 176.094 0.277 0.000 1.036 447 V CA 2.221 64.594 62.300 0.121 0.000 1.020 447 V CB -0.624 31.220 31.823 0.035 0.000 0.657 447 V HN 1.023 nan 8.190 nan 0.000 0.453 448 A N -1.890 121.080 122.820 0.251 0.000 2.597 448 A HA 0.671 4.991 4.320 0.001 0.000 0.292 448 A C -2.091 175.631 177.584 0.231 0.000 1.057 448 A CA -0.385 51.826 52.037 0.289 0.000 0.674 448 A CB 1.101 20.299 19.000 0.330 0.000 1.278 448 A HN 0.183 nan 8.150 nan 0.000 0.416 449 Y N 1.732 122.089 120.300 0.095 0.000 2.406 449 Y HA 0.695 5.245 4.550 0.001 0.000 0.340 449 Y C -1.248 174.663 175.900 0.018 0.000 0.975 449 Y CA -1.034 57.060 58.100 -0.010 0.000 1.056 449 Y CB 1.319 39.725 38.460 -0.091 0.000 1.210 449 Y HN 0.556 nan 8.280 nan 0.000 0.448 450 I N 5.733 125.977 120.570 -0.543 0.000 2.389 450 I HA 0.230 4.401 4.170 0.001 0.000 0.288 450 I C -0.418 175.392 176.117 -0.511 0.000 0.999 450 I CA -0.727 60.378 61.300 -0.326 0.000 1.129 450 I CB 1.117 39.010 38.000 -0.179 0.000 1.288 450 I HN 0.706 nan 8.210 nan 0.000 0.444 451 N N 4.175 122.799 118.700 -0.127 0.000 2.445 451 N HA 0.645 5.385 4.740 0.001 0.000 0.264 451 N C -0.229 175.341 175.510 0.100 0.000 1.227 451 N CA -0.160 52.971 53.050 0.135 0.000 0.963 451 N CB 1.344 40.102 38.487 0.451 0.000 1.188 451 N HN 0.710 nan 8.380 nan 0.000 0.491 452 A N 1.237 124.167 122.820 0.184 0.000 3.448 452 A HA 0.192 4.512 4.320 0.001 0.000 0.232 452 A C -0.589 177.109 177.584 0.191 0.000 1.018 452 A CA -0.606 51.521 52.037 0.150 0.000 0.996 452 A CB -0.279 18.794 19.000 0.121 0.000 1.283 452 A HN 0.635 nan 8.150 nan 0.000 0.586 453 D N 0.498 121.032 120.400 0.224 0.000 2.469 453 D HA 0.348 4.989 4.640 0.001 0.000 0.278 453 D C 0.629 177.012 176.300 0.137 0.000 1.231 453 D CA -0.108 54.028 54.000 0.225 0.000 1.075 453 D CB 0.775 41.765 40.800 0.316 0.000 1.121 453 D HN 0.256 nan 8.370 nan 0.000 0.571 454 S N -0.352 115.426 115.700 0.132 0.000 3.545 454 S HA -0.076 4.394 4.470 0.001 0.000 0.421 454 S C 1.323 175.914 174.600 -0.015 0.000 1.160 454 S CA 0.072 58.304 58.200 0.054 0.000 1.002 454 S CB 0.054 63.293 63.200 0.066 0.000 0.703 454 S HN 0.341 nan 8.310 nan 0.000 0.505 455 S N 1.704 117.352 115.700 -0.086 0.000 2.406 455 S HA 0.033 4.503 4.470 0.001 0.000 0.228 455 S C 1.017 175.507 174.600 -0.183 0.000 1.020 455 S CA 0.545 58.651 58.200 -0.157 0.000 0.965 455 S CB -0.230 62.777 63.200 -0.322 0.000 0.798 455 S HN 0.822 nan 8.310 nan 0.000 0.488 456 I N 0.079 120.505 120.570 -0.240 0.000 2.582 456 I HA 0.497 4.667 4.170 0.001 0.000 0.292 456 I C -0.411 175.540 176.117 -0.277 0.000 1.066 456 I CA -0.639 60.541 61.300 -0.201 0.000 1.053 456 I CB 2.116 39.999 38.000 -0.196 0.000 1.241 456 I HN 0.145 nan 8.210 nan 0.000 0.421 457 E N 3.986 124.065 120.200 -0.201 0.000 2.714 457 E HA 0.603 4.954 4.350 0.001 0.000 0.219 457 E C 0.360 176.918 176.600 -0.070 0.000 0.979 457 E CA -0.431 55.805 56.400 -0.272 0.000 1.092 457 E CB 1.011 30.666 29.700 -0.074 0.000 1.049 457 E HN 0.990 nan 8.360 nan 0.000 0.487 458 G N 1.652 110.438 108.800 -0.022 0.000 2.341 458 G HA2 0.217 4.177 3.960 0.001 0.000 0.299 458 G HA3 0.217 4.177 3.960 0.001 0.000 0.299 458 G C -1.363 173.455 174.900 -0.136 0.000 1.274 458 G CA -0.326 44.725 45.100 -0.081 0.000 0.853 458 G HN 0.100 nan 8.290 nan 0.000 0.493 459 N N -1.674 116.889 118.700 -0.229 0.000 2.390 459 N HA 0.132 4.872 4.740 0.001 0.000 0.259 459 N C 0.214 175.616 175.510 -0.179 0.000 1.395 459 N CA -0.316 52.466 53.050 -0.446 0.000 0.852 459 N CB 0.016 38.077 38.487 -0.709 0.000 1.371 459 N HN 0.449 nan 8.380 nan 0.000 0.491 460 Y N 0.873 121.093 120.300 -0.133 0.000 2.201 460 Y HA 0.363 4.914 4.550 0.001 0.000 0.292 460 Y C 0.321 176.195 175.900 -0.043 0.000 1.119 460 Y CA 1.169 59.229 58.100 -0.067 0.000 1.127 460 Y CB 0.272 38.676 38.460 -0.094 0.000 1.019 460 Y HN 0.132 nan 8.280 nan 0.000 0.514 461 T N -1.086 113.255 114.554 -0.355 0.000 2.718 461 T HA 0.316 4.666 4.350 0.001 0.000 0.306 461 T C -2.059 171.851 174.700 -1.317 0.000 1.485 461 T CA -0.742 60.853 62.100 -0.840 0.000 0.997 461 T CB 0.296 68.772 68.868 -0.652 0.000 1.504 461 T HN 0.044 nan 8.240 nan 0.000 0.497 462 L N 2.711 123.125 121.223 -1.349 0.000 2.525 462 L HA 0.467 4.807 4.340 0.001 0.000 0.278 462 L C 0.435 176.823 176.870 -0.805 0.000 1.218 462 L CA 0.670 54.803 54.840 -1.179 0.000 0.878 462 L CB 0.186 41.404 42.059 -1.403 0.000 1.127 462 L HN 0.517 nan 8.230 nan 0.000 0.492 463 R N 4.044 124.193 120.500 -0.586 0.000 2.451 463 R HA 0.617 4.958 4.340 0.001 0.000 0.307 463 R C -1.938 174.168 176.300 -0.324 0.000 0.965 463 R CA -0.612 55.291 56.100 -0.328 0.000 0.865 463 R CB 1.358 31.519 30.300 -0.232 0.000 1.174 463 R HN 0.504 nan 8.270 nan 0.000 0.455 464 V N 4.358 124.135 119.914 -0.228 0.000 2.487 464 V HA 0.336 4.457 4.120 0.001 0.000 0.298 464 V C -1.028 175.003 176.094 -0.106 0.000 1.028 464 V CA -0.866 61.318 62.300 -0.193 0.000 0.860 464 V CB 1.967 33.667 31.823 -0.205 0.000 0.991 464 V HN 0.738 nan 8.190 nan 0.000 0.427 465 D N 3.859 124.159 120.400 -0.166 0.000 2.391 465 D HA 0.755 5.395 4.640 0.001 0.000 0.245 465 D C -0.359 175.769 176.300 -0.286 0.000 1.069 465 D CA -0.144 53.728 54.000 -0.213 0.000 0.831 465 D CB 1.844 42.481 40.800 -0.272 0.000 1.204 465 D HN 0.866 nan 8.370 nan 0.000 0.503 466 C N -0.677 118.472 119.300 -0.252 0.000 3.306 466 C HA 0.753 5.213 4.460 0.001 0.000 0.335 466 C C 0.218 175.002 174.990 -0.343 0.000 1.382 466 C CA -0.931 57.901 59.018 -0.310 0.000 1.254 466 C CB 1.254 28.912 27.740 -0.136 0.000 1.555 466 C HN 0.579 nan 8.230 nan 0.000 0.463 467 T N 1.391 115.693 114.554 -0.421 0.000 2.932 467 T HA 0.315 4.666 4.350 0.001 0.000 0.312 467 T C -1.292 173.099 174.700 -0.516 0.000 1.071 467 T CA -0.016 61.872 62.100 -0.354 0.000 1.128 467 T CB 0.442 69.248 68.868 -0.102 0.000 0.984 467 T HN 0.677 nan 8.240 nan 0.000 0.549 468 P HA -0.061 nan 4.420 nan 0.000 0.218 468 P C 1.510 178.261 177.300 -0.916 0.000 1.146 468 P CA 1.036 63.174 63.100 -1.603 0.000 0.813 468 P CB -0.061 30.794 31.700 -1.409 0.000 0.778 469 L N -2.457 118.472 121.223 -0.491 0.000 2.349 469 L HA -0.119 4.221 4.340 0.001 0.000 0.220 469 L C 2.061 178.902 176.870 -0.049 0.000 1.130 469 L CA 1.289 56.002 54.840 -0.213 0.000 0.791 469 L CB -0.598 41.207 42.059 -0.423 0.000 0.918 469 L HN 0.110 nan 8.230 nan 0.000 0.444 470 M N -2.910 116.647 119.600 -0.071 0.000 2.313 470 M HA 0.044 4.525 4.480 0.001 0.000 0.273 470 M C 1.399 177.788 176.300 0.149 0.000 1.049 470 M CA -0.114 55.259 55.300 0.122 0.000 1.004 470 M CB 0.448 33.109 32.600 0.102 0.000 1.461 470 M HN 0.028 nan 8.290 nan 0.000 0.514 471 Y N 0.258 120.507 120.300 -0.086 0.000 2.128 471 Y HA -0.244 4.306 4.550 0.001 0.000 0.284 471 Y C 2.893 178.585 175.900 -0.345 0.000 1.154 471 Y CA 1.661 59.609 58.100 -0.252 0.000 1.149 471 Y CB -1.268 37.075 38.460 -0.196 0.000 0.976 471 Y HN 0.266 nan 8.280 nan 0.000 0.505 472 S N -0.099 115.669 115.700 0.114 0.000 2.355 472 S HA -0.156 4.315 4.470 0.001 0.000 0.222 472 S C 2.220 176.902 174.600 0.137 0.000 1.031 472 S CA 1.069 59.355 58.200 0.143 0.000 0.993 472 S CB -0.707 62.606 63.200 0.189 0.000 0.859 472 S HN 0.329 nan 8.310 nan 0.000 0.453 473 L N 1.962 123.274 121.223 0.147 0.000 1.997 473 L HA -0.096 4.244 4.340 0.001 0.000 0.216 473 L C 2.299 179.254 176.870 0.142 0.000 1.074 473 L CA 2.159 57.088 54.840 0.147 0.000 0.763 473 L CB -0.992 41.168 42.059 0.169 0.000 0.890 473 L HN 0.267 nan 8.230 nan 0.000 0.434 474 V N -0.411 119.574 119.914 0.119 0.000 2.358 474 V HA -0.327 3.794 4.120 0.001 0.000 0.246 474 V C 2.376 178.653 176.094 0.306 0.000 1.047 474 V CA 2.183 64.576 62.300 0.155 0.000 1.035 474 V CB -1.025 30.870 31.823 0.120 0.000 0.658 474 V HN 0.645 nan 8.190 nan 0.000 0.452 475 H N 0.195 119.446 119.070 0.301 0.000 2.319 475 H HA -0.170 4.386 4.556 0.001 0.000 0.299 475 H C 2.361 177.790 175.328 0.168 0.000 1.092 475 H CA 1.661 57.895 56.048 0.308 0.000 1.302 475 H CB -0.037 29.851 29.762 0.210 0.000 1.373 475 H HN 0.390 nan 8.280 nan 0.000 0.497 476 N N 0.520 119.361 118.700 0.235 0.000 2.142 476 N HA -0.113 4.628 4.740 0.001 0.000 0.186 476 N C 1.914 177.502 175.510 0.130 0.000 1.023 476 N CA 0.531 53.658 53.050 0.130 0.000 0.852 476 N CB -0.410 38.144 38.487 0.111 0.000 0.998 476 N HN 0.175 nan 8.380 nan 0.000 0.424 477 L N 1.165 122.480 121.223 0.153 0.000 2.017 477 L HA -0.148 4.192 4.340 0.001 0.000 0.208 477 L C 2.232 179.189 176.870 0.145 0.000 1.073 477 L CA 1.987 56.905 54.840 0.130 0.000 0.745 477 L CB -1.431 40.703 42.059 0.125 0.000 0.894 477 L HN 0.374 nan 8.230 nan 0.000 0.432 478 T N -3.368 111.319 114.554 0.223 0.000 2.833 478 T HA -0.217 4.133 4.350 0.001 0.000 0.269 478 T C 1.852 176.704 174.700 0.254 0.000 1.054 478 T CA 1.413 63.668 62.100 0.259 0.000 1.135 478 T CB -0.567 68.544 68.868 0.405 0.000 0.869 478 T HN 0.379 nan 8.240 nan 0.000 0.466 479 K N 0.856 121.386 120.400 0.218 0.000 2.280 479 K HA -0.030 4.290 4.320 0.001 0.000 0.202 479 K C 1.910 178.553 176.600 0.072 0.000 1.047 479 K CA 1.006 57.355 56.287 0.102 0.000 0.942 479 K CB 0.012 32.478 32.500 -0.057 0.000 0.739 479 K HN 0.370 nan 8.250 nan 0.000 0.457 480 E N 0.326 120.569 120.200 0.072 0.000 2.474 480 E HA 0.127 4.477 4.350 0.001 0.000 0.195 480 E C 0.035 176.658 176.600 0.038 0.000 1.039 480 E CA 0.220 56.646 56.400 0.042 0.000 0.881 480 E CB 0.311 30.030 29.700 0.032 0.000 0.970 480 E HN 0.250 nan 8.360 nan 0.000 0.486 481 L N 0.856 122.116 121.223 0.062 0.000 2.346 481 L HA 0.370 4.711 4.340 0.001 0.000 0.274 481 L C 0.185 177.086 176.870 0.052 0.000 1.007 481 L CA -0.862 54.005 54.840 0.046 0.000 0.818 481 L CB 1.858 43.949 42.059 0.053 0.000 1.284 481 L HN -0.343 nan 8.230 nan 0.000 0.424 482 K N 1.259 121.675 120.400 0.026 0.000 2.322 482 K HA 0.183 4.503 4.320 0.001 0.000 0.283 482 K C -0.016 176.607 176.600 0.037 0.000 1.042 482 K CA -0.138 56.167 56.287 0.030 0.000 0.958 482 K CB 1.246 33.747 32.500 0.003 0.000 0.984 482 K HN 0.438 nan 8.250 nan 0.000 0.473 483 S N 3.329 119.066 115.700 0.061 0.000 2.531 483 S HA 0.136 4.607 4.470 0.001 0.000 0.279 483 S C -1.513 173.110 174.600 0.037 0.000 1.305 483 S CA -1.354 56.881 58.200 0.059 0.000 1.058 483 S CB 0.497 63.730 63.200 0.056 0.000 0.899 483 S HN 0.483 nan 8.310 nan 0.000 0.493 484 P HA 0.270 nan 4.420 nan 0.000 0.262 484 P C -0.781 176.488 177.300 -0.051 0.000 1.304 484 P CA -0.214 62.819 63.100 -0.113 0.000 0.859 484 P CB 0.018 31.528 31.700 -0.316 0.000 1.310 485 D N 0.432 120.897 120.400 0.109 0.000 2.302 485 D HA 0.087 4.727 4.640 0.001 0.000 0.248 485 D C 0.147 176.606 176.300 0.266 0.000 1.094 485 D CA 0.055 54.188 54.000 0.222 0.000 0.897 485 D CB 0.710 41.594 40.800 0.140 0.000 1.200 485 D HN -0.133 nan 8.370 nan 0.000 0.429 486 E N 0.191 120.538 120.200 0.245 0.000 2.351 486 E HA 0.423 4.774 4.350 0.001 0.000 0.266 486 E C 1.284 178.006 176.600 0.203 0.000 1.031 486 E CA 0.239 56.743 56.400 0.174 0.000 0.911 486 E CB 0.651 30.434 29.700 0.139 0.000 0.986 486 E HN 0.738 nan 8.360 nan 0.000 0.446 487 G N 2.105 110.967 108.800 0.103 0.000 2.132 487 G HA2 -0.287 3.673 3.960 0.001 0.000 0.234 487 G HA3 -0.287 3.673 3.960 0.001 0.000 0.234 487 G C 0.222 174.991 174.900 -0.218 0.000 0.989 487 G CA 0.057 45.127 45.100 -0.050 0.000 0.676 487 G HN 0.604 nan 8.290 nan 0.000 0.522 488 F N 1.300 121.266 119.950 0.026 0.000 2.815 488 F HA 0.275 4.803 4.527 0.001 0.000 0.335 488 F C 0.862 176.674 175.800 0.020 0.000 1.179 488 F CA -0.460 57.556 58.000 0.027 0.000 1.204 488 F CB 0.520 39.543 39.000 0.038 0.000 1.050 488 F HN 0.198 nan 8.300 nan 0.000 0.510 489 E N -0.032 120.244 120.200 0.126 0.000 2.398 489 E HA 0.269 4.619 4.350 0.001 0.000 0.263 489 E C 1.382 178.018 176.600 0.060 0.000 1.046 489 E CA 0.583 57.029 56.400 0.077 0.000 0.908 489 E CB 0.619 30.340 29.700 0.034 0.000 0.963 489 E HN 0.386 nan 8.360 nan 0.000 0.431 490 G N 1.658 110.487 108.800 0.048 0.000 2.228 490 G HA2 -0.340 3.620 3.960 0.001 0.000 0.270 490 G HA3 -0.340 3.620 3.960 0.001 0.000 0.270 490 G C 0.250 175.190 174.900 0.067 0.000 0.976 490 G CA 1.002 46.128 45.100 0.042 0.000 0.636 490 G HN 0.549 nan 8.290 nan 0.000 0.542 491 K N 0.124 120.592 120.400 0.114 0.000 2.090 491 K HA 0.738 5.058 4.320 0.001 0.000 0.249 491 K C 0.931 177.613 176.600 0.136 0.000 0.995 491 K CA -0.025 56.352 56.287 0.150 0.000 0.914 491 K CB 1.539 34.192 32.500 0.256 0.000 1.057 491 K HN 1.140 nan 8.250 nan 0.000 0.462 492 S N 0.295 116.076 115.700 0.136 0.000 2.601 492 S HA 0.182 4.652 4.470 0.001 0.000 0.271 492 S C 1.163 175.843 174.600 0.134 0.000 1.305 492 S CA -0.573 57.705 58.200 0.129 0.000 1.022 492 S CB 0.553 63.840 63.200 0.146 0.000 0.940 492 S HN 0.577 nan 8.310 nan 0.000 0.525 493 L N 2.039 123.339 121.223 0.128 0.000 2.079 493 L HA -0.034 4.306 4.340 0.001 0.000 0.210 493 L C 2.043 179.020 176.870 0.178 0.000 1.081 493 L CA 1.898 56.808 54.840 0.116 0.000 0.752 493 L CB -1.513 40.612 42.059 0.110 0.000 0.896 493 L HN 0.917 nan 8.230 nan 0.000 0.433 494 Y N 0.904 121.293 120.300 0.149 0.000 2.114 494 Y HA -0.333 4.218 4.550 0.001 0.000 0.282 494 Y C 2.582 178.513 175.900 0.052 0.000 1.165 494 Y CA 3.317 61.516 58.100 0.165 0.000 1.148 494 Y CB -0.613 37.907 38.460 0.101 0.000 0.972 494 Y HN 0.402 nan 8.280 nan 0.000 0.504 495 E N -0.218 120.093 120.200 0.186 0.000 2.047 495 E HA -0.180 4.170 4.350 0.001 0.000 0.191 495 E C 2.203 178.750 176.600 -0.088 0.000 0.987 495 E CA 1.849 58.311 56.400 0.103 0.000 0.799 495 E CB -1.350 28.472 29.700 0.204 0.000 0.752 495 E HN 0.682 nan 8.360 nan 0.000 0.449 496 S N -0.686 114.861 115.700 -0.254 0.000 2.368 496 S HA -0.159 4.312 4.470 0.001 0.000 0.225 496 S C 2.011 176.357 174.600 -0.423 0.000 1.030 496 S CA 1.308 59.038 58.200 -0.783 0.000 0.999 496 S CB -0.669 61.826 63.200 -1.174 0.000 0.844 496 S HN 0.770 nan 8.310 nan 0.000 0.459 497 W N 3.091 124.125 121.300 -0.444 0.000 2.358 497 W HA -0.025 4.636 4.660 0.001 0.000 0.303 497 W C 2.094 178.364 176.519 -0.416 0.000 1.208 497 W CA 1.645 58.733 57.345 -0.428 0.000 1.274 497 W CB -1.162 28.078 29.460 -0.366 0.000 1.138 497 W HN 0.283 nan 8.180 nan 0.000 0.515 498 T N 0.931 115.143 114.554 -0.569 0.000 2.777 498 T HA -0.150 4.201 4.350 0.001 0.000 0.266 498 T C 2.195 176.690 174.700 -0.342 0.000 1.040 498 T CA 2.967 64.685 62.100 -0.638 0.000 1.141 498 T CB -0.733 67.750 68.868 -0.642 0.000 0.868 498 T HN 0.222 nan 8.240 nan 0.000 0.444 499 K N 2.026 122.302 120.400 -0.206 0.000 2.063 499 K HA -0.073 4.247 4.320 0.001 0.000 0.208 499 K C 2.091 178.636 176.600 -0.091 0.000 1.048 499 K CA 1.513 57.755 56.287 -0.075 0.000 0.928 499 K CB -0.646 31.919 32.500 0.107 0.000 0.713 499 K HN 0.411 nan 8.250 nan 0.000 0.442 500 K N -0.773 119.517 120.400 -0.184 0.000 2.262 500 K HA 0.065 4.386 4.320 0.001 0.000 0.200 500 K C 0.554 177.098 176.600 -0.094 0.000 1.049 500 K CA 0.818 56.985 56.287 -0.201 0.000 0.979 500 K CB 0.444 32.593 32.500 -0.584 0.000 0.773 500 K HN 0.243 nan 8.250 nan 0.000 0.474 501 S N 1.886 117.497 115.700 -0.149 0.000 2.204 501 S HA 0.237 4.707 4.470 0.001 0.000 0.147 501 S C -2.766 171.685 174.600 -0.247 0.000 1.711 501 S CA -1.528 56.606 58.200 -0.111 0.000 1.274 501 S CB 0.657 63.853 63.200 -0.006 0.000 1.257 501 S HN -0.055 nan 8.310 nan 0.000 0.404 502 P HA 0.141 nan 4.420 nan 0.000 0.275 502 P C -0.006 177.166 177.300 -0.212 0.000 1.228 502 P CA -0.128 62.831 63.100 -0.234 0.000 0.786 502 P CB 0.929 32.544 31.700 -0.143 0.000 0.927 503 S N 2.644 118.196 115.700 -0.247 0.000 2.549 503 S HA 0.101 4.571 4.470 0.001 0.000 0.286 503 S C -1.265 173.267 174.600 -0.113 0.000 1.314 503 S CA -0.853 57.234 58.200 -0.190 0.000 1.062 503 S CB -0.430 62.651 63.200 -0.198 0.000 0.865 503 S HN 0.300 nan 8.310 nan 0.000 0.498 504 P HA 0.100 nan 4.420 nan 0.000 0.217 504 P C 1.674 178.958 177.300 -0.027 0.000 1.154 504 P CA 1.521 64.597 63.100 -0.039 0.000 0.841 504 P CB -0.224 31.465 31.700 -0.018 0.000 0.788 505 E N -0.328 119.855 120.200 -0.028 0.000 2.049 505 E HA 0.130 4.480 4.350 0.001 0.000 0.198 505 E C 0.959 177.546 176.600 -0.022 0.000 1.007 505 E CA 1.777 58.169 56.400 -0.013 0.000 0.809 505 E CB -1.444 nan 29.700 nan 0.000 0.749 505 E HN 0.372 nan 8.360 nan 0.000 0.450 506 F N -3.420 116.501 119.950 -0.048 0.000 2.183 506 F HA 0.403 4.930 4.527 0.001 0.000 0.318 506 F C 1.278 177.051 175.800 -0.045 0.000 0.981 506 F CA 0.107 58.078 58.000 -0.048 0.000 0.912 506 F CB -1.143 nan 39.000 nan 0.000 4.135 506 F HN 1.013 nan 8.300 nan 0.000 0.137 507 S N 0.299 115.973 115.700 -0.044 0.000 2.479 507 S HA 0.641 5.111 4.470 0.001 0.000 0.157 507 S C 2.223 176.780 174.600 -0.072 0.000 1.101 507 S CA 0.513 58.686 58.200 -0.044 0.000 1.696 507 S CB -0.805 nan 63.200 nan 0.000 0.580 507 S HN 2.676 nan 8.310 nan 0.000 0.407 508 G N 2.110 110.873 108.800 -0.062 0.000 3.180 508 G HA2 0.465 4.426 3.960 0.001 0.000 0.252 508 G HA3 0.465 4.426 3.960 0.001 0.000 0.252 508 G C -0.039 174.802 174.900 -0.097 0.000 0.871 508 G CA 0.007 45.065 45.100 -0.071 0.000 1.979 508 G HN 0.313 nan 8.290 nan 0.000 0.624 509 M N 0.893 120.375 119.600 -0.197 0.000 2.591 509 M HA 0.422 4.902 4.480 0.001 0.000 0.306 509 M C -2.624 173.365 176.300 -0.520 0.000 1.190 509 M CA -2.587 52.517 55.300 -0.327 0.000 0.889 509 M CB 2.497 34.941 32.600 -0.259 0.000 1.728 509 M HN -0.065 nan 8.290 nan 0.000 0.458 510 P HA 0.258 nan 4.420 nan 0.000 0.276 510 P C -0.806 176.080 177.300 -0.690 0.000 1.252 510 P CA -0.536 61.904 63.100 -1.101 0.000 0.802 510 P CB 0.922 31.200 31.700 -2.370 0.000 1.035 511 R N 1.932 122.132 120.500 -0.500 0.000 2.389 511 R HA 0.382 4.722 4.340 0.001 0.000 0.295 511 R C -0.673 175.582 176.300 -0.076 0.000 1.075 511 R CA -0.163 55.801 56.100 -0.227 0.000 1.005 511 R CB -0.199 30.028 30.300 -0.122 0.000 0.987 511 R HN 0.464 nan 8.270 nan 0.000 0.452 512 I N 3.038 123.544 120.570 -0.107 0.000 2.466 512 I HA 0.202 4.373 4.170 0.001 0.000 0.289 512 I C -0.308 175.771 176.117 -0.063 0.000 1.026 512 I CA -0.688 60.583 61.300 -0.048 0.000 1.078 512 I CB 2.335 40.193 38.000 -0.236 0.000 1.249 512 I HN 0.655 nan 8.210 nan 0.000 0.429 513 S N 4.611 120.286 115.700 -0.041 0.000 2.713 513 S HA 0.460 4.930 4.470 0.001 0.000 0.283 513 S C -0.185 174.364 174.600 -0.085 0.000 1.161 513 S CA -0.925 57.251 58.200 -0.042 0.000 0.999 513 S CB 1.439 64.611 63.200 -0.046 0.000 1.039 513 S HN 0.421 nan 8.310 nan 0.000 0.548 514 K N 0.813 121.157 120.400 -0.093 0.000 2.258 514 K HA 0.272 4.593 4.320 0.001 0.000 0.264 514 K C -0.650 175.762 176.600 -0.314 0.000 1.007 514 K CA -0.128 56.009 56.287 -0.249 0.000 0.941 514 K CB 0.254 32.661 32.500 -0.156 0.000 0.966 514 K HN 0.404 nan 8.250 nan 0.000 0.480 515 L N 1.981 122.885 121.223 -0.531 0.000 2.319 515 L HA 0.152 4.493 4.340 0.001 0.000 0.280 515 L C 1.005 177.778 176.870 -0.161 0.000 1.099 515 L CA -0.089 54.463 54.840 -0.480 0.000 0.828 515 L CB 1.029 42.552 42.059 -0.894 0.000 1.150 515 L HN 0.884 nan 8.230 nan 0.000 0.442 516 G N 1.376 110.204 108.800 0.046 0.000 3.157 516 G HA2 0.415 4.375 3.960 0.001 0.000 0.206 516 G HA3 0.415 4.375 3.960 0.001 0.000 0.206 516 G C -0.163 174.867 174.900 0.217 0.000 1.903 516 G CA 0.372 45.509 45.100 0.062 0.000 0.771 516 G HN 0.551 nan 8.290 nan 0.000 0.750 517 S N -3.170 112.596 115.700 0.109 0.000 3.359 517 S HA 0.518 4.988 4.470 0.001 0.000 0.323 517 S C 0.756 175.351 174.600 -0.007 0.000 1.143 517 S CA 0.837 59.005 58.200 -0.053 0.000 0.989 517 S CB 0.647 63.754 63.200 -0.155 0.000 1.375 517 S HN 2.262 nan 8.310 nan 0.000 0.728 518 G N 1.282 109.992 108.800 -0.150 0.000 2.136 518 G HA2 -0.138 3.822 3.960 0.001 0.000 0.242 518 G HA3 -0.138 3.822 3.960 0.001 0.000 0.242 518 G C -0.142 174.756 174.900 -0.003 0.000 0.989 518 G CA 0.440 45.545 45.100 0.009 0.000 0.682 518 G HN 0.780 nan 8.290 nan 0.000 0.522 519 N N -1.519 117.027 118.700 -0.258 0.000 3.261 519 N HA 0.140 4.880 4.740 0.001 0.000 0.248 519 N C -0.523 174.737 175.510 -0.418 0.000 1.498 519 N CA -0.361 52.583 53.050 -0.177 0.000 0.884 519 N CB 0.544 39.133 38.487 0.170 0.000 1.428 519 N HN -0.142 nan 8.380 nan 0.000 0.517 520 D N 0.358 120.721 120.400 -0.060 0.000 2.371 520 D HA -0.012 4.628 4.640 0.001 0.000 0.221 520 D C 1.575 177.840 176.300 -0.059 0.000 0.986 520 D CA 0.709 54.672 54.000 -0.061 0.000 0.899 520 D CB -0.069 40.846 40.800 0.192 0.000 0.902 520 D HN 0.452 nan 8.370 nan 0.000 0.530 521 F N 0.459 120.511 119.950 0.171 0.000 2.604 521 F HA 0.149 4.676 4.527 0.001 0.000 0.298 521 F C 1.883 177.760 175.800 0.128 0.000 1.131 521 F CA 0.111 58.166 58.000 0.093 0.000 1.457 521 F CB -0.537 38.600 39.000 0.228 0.000 1.095 521 F HN -0.175 nan 8.300 nan 0.000 0.574 522 E N 1.194 121.018 120.200 -0.627 0.000 2.049 522 E HA -0.241 4.109 4.350 0.001 0.000 0.198 522 E C 2.335 178.906 176.600 -0.049 0.000 1.007 522 E CA 1.919 58.123 56.400 -0.326 0.000 0.809 522 E CB -0.374 29.093 29.700 -0.388 0.000 0.749 522 E HN 0.389 nan 8.360 nan 0.000 0.450 523 V N 0.068 119.838 119.914 -0.239 0.000 2.427 523 V HA -0.206 3.914 4.120 0.001 0.000 0.248 523 V C 1.899 177.827 176.094 -0.277 0.000 1.051 523 V CA 1.629 63.727 62.300 -0.337 0.000 1.048 523 V CB -0.488 30.960 31.823 -0.624 0.000 0.666 523 V HN 0.271 nan 8.190 nan 0.000 0.456 524 F N -0.767 119.150 119.950 -0.056 0.000 2.134 524 F HA -0.073 4.455 4.527 0.001 0.000 0.299 524 F C 2.020 177.958 175.800 0.230 0.000 1.097 524 F CA 2.242 60.273 58.000 0.053 0.000 1.264 524 F CB -0.749 38.201 39.000 -0.083 0.000 1.001 524 F HN 0.278 nan 8.300 nan 0.000 0.479 525 F N 0.639 120.768 119.950 0.298 0.000 2.164 525 F HA -0.040 4.487 4.527 0.000 0.000 0.287 525 F C 2.429 178.385 175.800 0.259 0.000 1.086 525 F CA 1.195 59.363 58.000 0.280 0.000 1.249 525 F CB -0.599 38.566 39.000 0.275 0.000 1.059 525 F HN -0.223 nan 8.300 nan 0.000 0.490 526 Q N 0.103 120.055 119.800 0.254 0.000 2.137 526 Q HA -0.100 4.241 4.340 0.001 0.000 0.198 526 Q C 2.347 178.451 176.000 0.173 0.000 0.960 526 Q CA 1.247 57.150 55.803 0.167 0.000 0.847 526 Q CB -0.449 28.423 28.738 0.224 0.000 0.915 526 Q HN 0.430 nan 8.270 nan 0.000 0.448 527 R N 0.180 120.761 120.500 0.134 0.000 2.087 527 R HA 0.122 4.463 4.340 0.001 0.000 0.216 527 R C 2.148 178.481 176.300 0.056 0.000 1.114 527 R CA 0.354 56.508 56.100 0.090 0.000 1.002 527 R CB 0.205 30.519 30.300 0.022 0.000 0.903 527 R HN 0.155 nan 8.270 nan 0.000 0.445 528 L N -0.648 120.608 121.223 0.056 0.000 2.477 528 L HA 0.281 4.622 4.340 0.001 0.000 0.220 528 L C 0.931 177.871 176.870 0.116 0.000 1.106 528 L CA 0.499 55.383 54.840 0.074 0.000 0.851 528 L CB 0.352 42.456 42.059 0.075 0.000 0.994 528 L HN 0.545 nan 8.230 nan 0.000 0.462 529 G N 1.724 110.602 108.800 0.130 0.000 2.225 529 G HA2 -0.274 3.686 3.960 0.001 0.000 0.264 529 G HA3 -0.274 3.686 3.960 0.001 0.000 0.264 529 G C 0.010 175.043 174.900 0.221 0.000 1.060 529 G CA -0.125 45.054 45.100 0.131 0.000 0.833 529 G HN 0.287 nan 8.290 nan 0.000 0.498 530 I N 1.076 121.834 120.570 0.314 0.000 2.331 530 I HA 0.521 4.691 4.170 0.001 0.000 0.292 530 I C 1.156 177.558 176.117 0.475 0.000 0.998 530 I CA -0.488 61.031 61.300 0.365 0.000 1.267 530 I CB 1.546 39.794 38.000 0.415 0.000 1.386 530 I HN 0.357 nan 8.210 nan 0.000 0.476 531 A N 5.232 128.266 122.820 0.357 0.000 2.546 531 A HA 0.369 4.690 4.320 0.001 0.000 0.243 531 A C 0.054 177.807 177.584 0.282 0.000 1.063 531 A CA 0.394 52.605 52.037 0.290 0.000 0.757 531 A CB -0.020 18.921 19.000 -0.099 0.000 0.991 531 A HN 0.689 nan 8.150 nan 0.000 0.503 532 S N 0.390 116.173 115.700 0.137 0.000 2.549 532 S HA 0.839 5.310 4.470 0.001 0.000 0.280 532 S C 0.062 174.540 174.600 -0.203 0.000 1.109 532 S CA -0.036 58.190 58.200 0.045 0.000 0.905 532 S CB 2.181 65.443 63.200 0.104 0.000 1.081 532 S HN 1.478 nan 8.310 nan 0.000 0.477 533 G N 1.189 109.919 108.800 -0.117 0.000 2.695 533 G HA2 0.802 4.762 3.960 0.001 0.000 0.290 533 G HA3 0.802 4.762 3.960 0.001 0.000 0.290 533 G C -1.642 173.161 174.900 -0.160 0.000 1.410 533 G CA -0.963 44.017 45.100 -0.199 0.000 0.844 533 G HN 0.763 nan 8.290 nan 0.000 0.478 534 R N -1.086 119.297 120.500 -0.196 0.000 2.707 534 R HA 0.845 5.186 4.340 0.001 0.000 0.272 534 R C -1.386 174.830 176.300 -0.139 0.000 1.011 534 R CA -1.006 55.020 56.100 -0.123 0.000 0.893 534 R CB 2.015 32.247 30.300 -0.112 0.000 1.233 534 R HN 1.245 nan 8.270 nan 0.000 0.464 535 A N 2.454 125.207 122.820 -0.112 0.000 2.459 535 A HA 0.714 5.034 4.320 0.001 0.000 0.296 535 A C -1.118 176.392 177.584 -0.123 0.000 1.039 535 A CA -0.951 50.986 52.037 -0.165 0.000 0.698 535 A CB 1.580 20.478 19.000 -0.170 0.000 1.261 535 A HN 0.892 nan 8.150 nan 0.000 0.405 536 R N 1.203 121.604 120.500 -0.166 0.000 2.781 536 R HA 0.494 4.835 4.340 0.001 0.000 0.269 536 R C -1.841 174.368 176.300 -0.151 0.000 1.025 536 R CA -0.677 55.358 56.100 -0.108 0.000 0.914 536 R CB 0.563 30.812 30.300 -0.084 0.000 1.236 536 R HN 0.506 nan 8.270 nan 0.000 0.465 537 Y N 0.007 120.186 120.300 -0.201 0.000 2.309 537 Y HA 0.397 4.948 4.550 0.000 0.000 0.327 537 Y C 0.754 176.529 175.900 -0.207 0.000 1.172 537 Y CA 0.957 58.922 58.100 -0.227 0.000 1.280 537 Y CB 1.705 40.012 38.460 -0.255 0.000 1.234 537 Y HN 0.743 nan 8.280 nan 0.000 0.512 538 T N 2.800 117.226 114.554 -0.212 0.000 2.864 538 T HA 0.512 4.863 4.350 0.001 0.000 0.289 538 T C -0.780 173.883 174.700 -0.062 0.000 1.082 538 T CA -0.986 61.035 62.100 -0.131 0.000 1.009 538 T CB 0.885 69.661 68.868 -0.154 0.000 1.234 538 T HN 0.625 nan 8.240 nan 0.000 0.526 539 K N 1.473 121.835 120.400 -0.062 0.000 2.488 539 K HA 0.505 4.825 4.320 0.001 0.000 0.255 539 K C 0.628 177.190 176.600 -0.064 0.000 1.036 539 K CA -0.968 55.276 56.287 -0.072 0.000 0.990 539 K CB 0.208 32.636 32.500 -0.119 0.000 1.304 539 K HN 0.381 nan 8.250 nan 0.000 0.505 547 S N 0.159 115.846 115.700 -0.022 0.000 2.470 547 S HA 0.444 4.914 4.470 0.001 0.000 0.222 547 S C 0.939 175.476 174.600 -0.104 0.000 1.024 547 S CA 0.904 59.081 58.200 -0.037 0.000 0.931 547 S CB 0.428 63.520 63.200 -0.179 0.000 0.791 547 S HN 0.624 nan 8.310 nan 0.000 0.513 548 G N 1.357 109.981 108.800 -0.293 0.000 2.712 548 G HA2 -0.125 3.835 3.960 0.001 0.000 0.686 548 G HA3 -0.125 3.835 3.960 0.001 0.000 0.686 548 G C -0.415 174.347 174.900 -0.230 0.000 1.181 548 G CA -0.633 44.109 45.100 -0.598 0.000 0.762 548 G HN 0.424 nan 8.290 nan 0.000 0.641 549 Y N 0.375 120.650 120.300 -0.042 0.000 2.469 549 Y HA 0.444 4.994 4.550 0.001 0.000 0.353 549 Y C -0.806 175.295 175.900 0.335 0.000 1.269 549 Y CA -0.796 57.380 58.100 0.127 0.000 1.504 549 Y CB -0.284 38.249 38.460 0.121 0.000 1.369 549 Y HN 0.324 nan 8.280 nan 0.000 0.654 550 P HA -0.109 nan 4.420 nan 0.000 0.217 550 P C 0.811 178.343 177.300 0.386 0.000 1.150 550 P CA 1.443 64.862 63.100 0.533 0.000 0.832 550 P CB 0.147 32.151 31.700 0.506 0.000 0.787 551 L N -2.634 118.853 121.223 0.440 0.000 2.627 551 L HA 0.109 4.449 4.340 0.001 0.000 0.232 551 L C 0.596 177.592 176.870 0.209 0.000 1.150 551 L CA -0.690 54.357 54.840 0.344 0.000 0.917 551 L CB -0.953 41.343 42.059 0.394 0.000 1.104 551 L HN -0.054 nan 8.230 nan 0.000 0.445 552 Y N 1.864 121.965 120.300 -0.332 0.000 2.852 552 Y HA -0.215 4.335 4.550 0.001 0.000 0.343 552 Y C 1.102 176.886 175.900 -0.193 0.000 1.280 552 Y CA 0.517 58.294 58.100 -0.539 0.000 1.604 552 Y CB -0.883 37.019 38.460 -0.929 0.000 1.216 552 Y HN 0.265 nan 8.280 nan 0.000 0.541 553 H N 1.946 120.787 119.070 -0.382 0.000 3.022 553 H HA -0.213 4.343 4.556 0.001 0.000 0.258 553 H C 0.190 175.369 175.328 -0.248 0.000 1.212 553 H CA 0.401 56.217 56.048 -0.387 0.000 1.126 553 H CB -1.106 28.183 29.762 -0.788 0.000 1.267 553 H HN 0.506 nan 8.280 nan 0.000 0.345 554 S N -0.425 115.270 115.700 -0.007 0.000 2.638 554 S HA 0.353 4.824 4.470 0.001 0.000 0.298 554 S C 1.215 175.777 174.600 -0.064 0.000 1.111 554 S CA -0.105 58.069 58.200 -0.042 0.000 1.027 554 S CB 2.175 65.404 63.200 0.048 0.000 1.064 554 S HN 0.190 nan 8.310 nan 0.000 0.525 555 V N 4.087 123.866 119.914 -0.226 0.000 2.688 555 V HA -0.112 4.008 4.120 0.001 0.000 0.256 555 V C 1.040 176.994 176.094 -0.233 0.000 1.084 555 V CA 1.895 64.061 62.300 -0.224 0.000 1.103 555 V CB -0.943 30.700 31.823 -0.300 0.000 0.688 555 V HN 0.928 nan 8.190 nan 0.000 0.480 556 Y N 0.071 120.387 120.300 0.026 0.000 2.546 556 Y HA 0.213 4.763 4.550 0.001 0.000 0.287 556 Y C 1.493 177.201 175.900 -0.319 0.000 1.158 556 Y CA -0.062 57.921 58.100 -0.195 0.000 1.307 556 Y CB -0.198 38.155 38.460 -0.177 0.000 1.036 556 Y HN 0.309 nan 8.280 nan 0.000 0.532 557 E N 2.105 122.339 120.200 0.057 0.000 1.932 557 E HA 0.136 4.486 4.350 0.001 0.000 0.275 557 E C -0.281 176.397 176.600 0.130 0.000 1.159 557 E CA -0.021 56.451 56.400 0.120 0.000 0.905 557 E CB 0.155 29.999 29.700 0.241 0.000 1.059 557 E HN 0.308 nan 8.360 nan 0.000 0.400 558 T N 0.175 114.770 114.554 0.069 0.000 2.838 558 T HA 0.095 4.445 4.350 0.001 0.000 0.292 558 T C 0.685 175.517 174.700 0.220 0.000 1.113 558 T CA -0.782 61.382 62.100 0.106 0.000 1.008 558 T CB 0.609 69.461 68.868 -0.027 0.000 1.259 558 T HN 0.403 nan 8.240 nan 0.000 0.520 559 Y N 1.174 121.580 120.300 0.177 0.000 2.193 559 Y HA -0.147 4.403 4.550 0.000 0.000 0.285 559 Y C 2.143 178.194 175.900 0.252 0.000 1.166 559 Y CA 2.241 60.479 58.100 0.230 0.000 1.181 559 Y CB -0.344 38.269 38.460 0.255 0.000 0.976 559 Y HN 0.804 nan 8.280 nan 0.000 0.520 560 E N -0.027 120.356 120.200 0.306 0.000 2.152 560 E HA -0.150 4.200 4.350 0.001 0.000 0.192 560 E C 1.985 178.703 176.600 0.196 0.000 0.983 560 E CA 1.029 57.560 56.400 0.219 0.000 0.818 560 E CB -0.518 29.419 29.700 0.395 0.000 0.758 560 E HN 0.492 nan 8.360 nan 0.000 0.467 561 L N 0.088 121.521 121.223 0.350 0.000 2.081 561 L HA -0.185 4.155 4.340 0.001 0.000 0.212 561 L C 1.863 178.943 176.870 0.350 0.000 1.080 561 L CA 1.524 56.657 54.840 0.489 0.000 0.754 561 L CB -0.197 42.034 42.059 0.287 0.000 0.893 561 L HN 0.025 nan 8.230 nan 0.000 0.433 562 V N -0.660 119.298 119.914 0.074 0.000 2.379 562 V HA -0.159 3.962 4.120 0.001 0.000 0.243 562 V C 2.497 178.477 176.094 -0.191 0.000 1.035 562 V CA 1.586 63.863 62.300 -0.038 0.000 1.035 562 V CB -0.492 31.260 31.823 -0.118 0.000 0.673 562 V HN 0.549 nan 8.190 nan 0.000 0.457 563 E N 0.531 120.519 120.200 -0.353 0.000 2.118 563 E HA -0.268 4.083 4.350 0.001 0.000 0.195 563 E C 2.148 178.611 176.600 -0.228 0.000 0.992 563 E CA 1.551 57.766 56.400 -0.308 0.000 0.804 563 E CB 0.071 29.526 29.700 -0.409 0.000 0.741 563 E HN 0.578 nan 8.360 nan 0.000 0.458 564 K N -0.836 119.382 120.400 -0.304 0.000 2.044 564 K HA -0.030 4.290 4.320 0.001 0.000 0.204 564 K C 1.717 178.027 176.600 -0.483 0.000 1.045 564 K CA 1.244 57.202 56.287 -0.548 0.000 0.951 564 K CB 0.008 31.861 32.500 -1.078 0.000 0.738 564 K HN 0.104 nan 8.250 nan 0.000 0.443 565 F N -1.879 118.163 119.950 0.153 0.000 2.720 565 F HA 0.196 4.723 4.527 0.000 0.000 0.301 565 F C 1.334 177.097 175.800 -0.062 0.000 1.103 565 F CA -0.060 58.023 58.000 0.138 0.000 1.291 565 F CB 0.106 39.300 39.000 0.324 0.000 1.086 565 F HN -0.035 nan 8.300 nan 0.000 0.592 566 Y N -0.781 119.525 120.300 0.010 0.000 2.576 566 Y HA 0.192 4.742 4.550 0.001 0.000 0.282 566 Y C 0.415 176.260 175.900 -0.092 0.000 1.139 566 Y CA 0.319 58.354 58.100 -0.108 0.000 1.265 566 Y CB 0.634 39.000 38.460 -0.158 0.000 1.376 566 Y HN -0.232 nan 8.280 nan 0.000 0.511 567 D N -1.099 119.291 120.400 -0.018 0.000 2.846 567 D HA 0.241 4.881 4.640 0.001 0.000 0.279 567 D C -2.458 173.599 176.300 -0.406 0.000 1.222 567 D CA -1.736 52.188 54.000 -0.128 0.000 0.769 567 D CB 0.686 41.411 40.800 -0.124 0.000 1.299 567 D HN -0.070 nan 8.370 nan 0.000 0.537 568 P HA -0.111 nan 4.420 nan 0.000 0.216 568 P C 1.510 178.786 177.300 -0.040 0.000 1.150 568 P CA 0.937 63.959 63.100 -0.129 0.000 0.837 568 P CB 0.164 31.829 31.700 -0.058 0.000 0.786 569 M N -3.129 116.425 119.600 -0.076 0.000 2.562 569 M HA 0.129 4.609 4.480 0.001 0.000 0.257 569 M C 0.348 176.703 176.300 0.093 0.000 1.099 569 M CA 0.170 55.462 55.300 -0.012 0.000 1.099 569 M CB -1.444 31.098 32.600 -0.097 0.000 1.427 569 M HN -0.079 nan 8.290 nan 0.000 0.489 570 F N 0.420 120.291 119.950 -0.132 0.000 3.074 570 F HA -0.365 4.162 4.527 0.000 0.000 0.289 570 F C 1.363 177.096 175.800 -0.112 0.000 0.863 570 F CA 1.123 59.041 58.000 -0.136 0.000 1.121 570 F CB -1.812 37.069 39.000 -0.197 0.000 1.169 570 F HN 0.310 nan 8.300 nan 0.000 0.570 571 K N -1.706 118.583 120.400 -0.184 0.000 2.314 571 K HA -0.001 4.319 4.320 0.001 0.000 0.198 571 K C 1.360 177.711 176.600 -0.414 0.000 1.045 571 K CA 1.214 57.311 56.287 -0.317 0.000 0.988 571 K CB -0.256 31.973 32.500 -0.451 0.000 0.783 571 K HN 0.351 nan 8.250 nan 0.000 0.484 572 Y N 1.179 121.361 120.300 -0.195 0.000 2.314 572 Y HA 0.006 4.556 4.550 0.001 0.000 0.294 572 Y C 2.053 177.842 175.900 -0.184 0.000 1.119 572 Y CA 0.985 58.853 58.100 -0.386 0.000 1.179 572 Y CB -0.611 37.535 38.460 -0.524 0.000 1.025 572 Y HN 0.130 nan 8.280 nan 0.000 0.541 573 H N -0.817 118.257 119.070 0.006 0.000 2.319 573 H HA -0.180 4.377 4.556 0.001 0.000 0.299 573 H C 2.097 177.453 175.328 0.047 0.000 1.092 573 H CA 1.912 58.002 56.048 0.071 0.000 1.302 573 H CB -0.538 29.340 29.762 0.194 0.000 1.373 573 H HN 0.193 nan 8.280 nan 0.000 0.497 574 L N -0.038 121.263 121.223 0.130 0.000 2.046 574 L HA -0.148 4.192 4.340 0.001 0.000 0.208 574 L C 2.117 178.988 176.870 0.001 0.000 1.077 574 L CA 1.833 56.697 54.840 0.039 0.000 0.747 574 L CB -0.862 41.183 42.059 -0.023 0.000 0.896 574 L HN 0.221 nan 8.230 nan 0.000 0.432 575 T N -1.081 113.460 114.554 -0.021 0.000 2.674 575 T HA -0.175 4.175 4.350 0.001 0.000 0.265 575 T C 1.961 176.684 174.700 0.038 0.000 1.039 575 T CA 1.818 63.917 62.100 -0.002 0.000 1.150 575 T CB -0.401 68.460 68.868 -0.012 0.000 0.864 575 T HN 0.194 nan 8.240 nan 0.000 0.427 576 V N 1.888 121.836 119.914 0.056 0.000 2.332 576 V HA -0.220 3.900 4.120 0.001 0.000 0.248 576 V C 2.887 179.012 176.094 0.051 0.000 1.055 576 V CA 1.767 64.096 62.300 0.048 0.000 1.038 576 V CB -1.288 30.554 31.823 0.032 0.000 0.651 576 V HN 0.549 nan 8.190 nan 0.000 0.450 577 A N -0.850 122.008 122.820 0.063 0.000 1.940 577 A HA -0.314 4.006 4.320 0.001 0.000 0.219 577 A C 2.187 179.811 177.584 0.067 0.000 1.176 577 A CA 2.134 54.215 52.037 0.075 0.000 0.631 577 A CB -0.456 18.581 19.000 0.062 0.000 0.814 577 A HN 0.663 nan 8.150 nan 0.000 0.446 578 Q N -0.790 119.027 119.800 0.029 0.000 2.123 578 Q HA -0.056 4.284 4.340 0.001 0.000 0.199 578 Q C 2.141 178.188 176.000 0.079 0.000 0.966 578 Q CA 1.413 57.234 55.803 0.030 0.000 0.845 578 Q CB -0.229 28.500 28.738 -0.015 0.000 0.907 578 Q HN 0.510 nan 8.270 nan 0.000 0.439 579 V N 0.876 120.822 119.914 0.053 0.000 2.283 579 V HA -0.240 3.881 4.120 0.001 0.000 0.243 579 V C 2.176 178.310 176.094 0.067 0.000 1.039 579 V CA 1.728 64.051 62.300 0.039 0.000 1.016 579 V CB -0.475 31.332 31.823 -0.026 0.000 0.650 579 V HN 0.271 nan 8.190 nan 0.000 0.449 580 R N 0.295 120.838 120.500 0.072 0.000 2.082 580 R HA -0.119 4.221 4.340 0.001 0.000 0.234 580 R C 2.489 178.890 176.300 0.167 0.000 1.136 580 R CA 1.708 57.865 56.100 0.095 0.000 0.935 580 R CB -1.014 29.340 30.300 0.090 0.000 0.842 580 R HN 0.573 nan 8.270 nan 0.000 0.430 581 G N -0.057 108.896 108.800 0.255 0.000 2.422 581 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 581 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 581 G C 1.499 176.594 174.900 0.324 0.000 1.140 581 G CA 0.766 46.110 45.100 0.408 0.000 0.775 581 G HN 0.464 nan 8.290 nan 0.000 0.545 582 G N 0.923 109.902 108.800 0.299 0.000 2.446 582 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 582 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 582 G C 1.881 176.899 174.900 0.198 0.000 1.168 582 G CA 1.078 46.308 45.100 0.216 0.000 0.771 582 G HN 0.426 nan 8.290 nan 0.000 0.551 583 M N -0.149 119.544 119.600 0.155 0.000 2.067 583 M HA -0.052 4.428 4.480 0.001 0.000 0.260 583 M C 2.718 179.092 176.300 0.123 0.000 1.069 583 M CA 0.995 56.372 55.300 0.128 0.000 1.117 583 M CB -0.453 32.201 32.600 0.089 0.000 1.334 583 M HN 0.093 nan 8.290 nan 0.000 0.407 584 V N 0.106 120.092 119.914 0.121 0.000 2.332 584 V HA -0.283 3.837 4.120 0.001 0.000 0.248 584 V C 2.125 178.275 176.094 0.092 0.000 1.055 584 V CA 1.986 64.327 62.300 0.070 0.000 1.038 584 V CB -0.757 31.122 31.823 0.093 0.000 0.651 584 V HN 0.378 nan 8.190 nan 0.000 0.450 585 F N 0.936 120.919 119.950 0.056 0.000 2.051 585 F HA -0.172 4.355 4.527 0.001 0.000 0.296 585 F C 2.598 178.429 175.800 0.053 0.000 1.122 585 F CA 2.024 60.061 58.000 0.062 0.000 1.201 585 F CB -0.157 38.760 39.000 -0.138 0.000 0.978 585 F HN 0.087 nan 8.300 nan 0.000 0.472 586 E N 0.837 121.257 120.200 0.368 0.000 2.049 586 E HA -0.248 4.103 4.350 0.001 0.000 0.198 586 E C 2.370 178.983 176.600 0.023 0.000 1.007 586 E CA 1.781 58.307 56.400 0.210 0.000 0.809 586 E CB -0.931 28.880 29.700 0.186 0.000 0.749 586 E HN 0.485 nan 8.360 nan 0.000 0.450 587 L N 0.328 121.550 121.223 -0.001 0.000 2.013 587 L HA -0.213 4.127 4.340 0.001 0.000 0.212 587 L C 2.339 179.130 176.870 -0.131 0.000 1.073 587 L CA 1.629 56.421 54.840 -0.079 0.000 0.753 587 L CB -0.420 41.620 42.059 -0.031 0.000 0.890 587 L HN 0.067 nan 8.230 nan 0.000 0.432 588 A N -1.745 120.977 122.820 -0.163 0.000 2.251 588 A HA -0.014 4.306 4.320 0.001 0.000 0.209 588 A C 1.693 179.120 177.584 -0.261 0.000 1.187 588 A CA 1.023 52.924 52.037 -0.227 0.000 0.823 588 A CB -0.260 18.559 19.000 -0.302 0.000 0.846 588 A HN 0.449 nan 8.150 nan 0.000 0.486 589 N N -1.756 116.796 118.700 -0.246 0.000 2.218 589 N HA 0.066 4.806 4.740 0.001 0.000 0.224 589 N C 0.405 175.857 175.510 -0.096 0.000 1.248 589 N CA 0.515 53.426 53.050 -0.232 0.000 0.875 589 N CB 0.604 38.834 38.487 -0.429 0.000 1.165 589 N HN 0.156 nan 8.380 nan 0.000 0.485 590 S N 0.260 115.929 115.700 -0.051 0.000 2.549 590 S HA 0.113 4.583 4.470 0.001 0.000 0.286 590 S C 1.553 176.134 174.600 -0.032 0.000 1.314 590 S CA -0.213 57.983 58.200 -0.007 0.000 1.062 590 S CB 0.129 63.331 63.200 0.004 0.000 0.865 590 S HN 0.219 nan 8.310 nan 0.000 0.498 591 I N 4.331 124.898 120.570 -0.005 0.000 2.286 591 I HA -0.030 4.140 4.170 0.001 0.000 0.245 591 I C 0.354 176.482 176.117 0.017 0.000 1.104 591 I CA 0.645 61.944 61.300 -0.001 0.000 1.397 591 I CB 0.053 38.059 38.000 0.009 0.000 1.072 591 I HN 0.399 nan 8.210 nan 0.000 0.417 592 V N 2.789 122.721 119.914 0.030 0.000 2.407 592 V HA 0.182 4.302 4.120 0.001 0.000 0.278 592 V C 0.256 176.332 176.094 -0.029 0.000 1.037 592 V CA -0.790 61.539 62.300 0.048 0.000 0.900 592 V CB 1.294 33.178 31.823 0.100 0.000 0.983 592 V HN 0.101 nan 8.190 nan 0.000 0.459 593 L N 7.811 128.977 121.223 -0.095 0.000 2.640 593 L HA 0.073 4.413 4.340 0.001 0.000 0.280 593 L C -1.482 175.229 176.870 -0.266 0.000 1.229 593 L CA -0.784 53.877 54.840 -0.297 0.000 0.919 593 L CB 0.409 42.192 42.059 -0.460 0.000 1.168 593 L HN 0.521 nan 8.230 nan 0.000 0.496 594 P HA 0.103 nan 4.420 nan 0.000 0.225 594 P C -0.843 176.502 177.300 0.075 0.000 1.768 594 P CA 0.106 63.161 63.100 -0.076 0.000 0.943 594 P CB -0.327 31.366 31.700 -0.012 0.000 1.936 595 F N 0.400 120.422 119.950 0.120 0.000 2.492 595 F HA 0.440 4.968 4.527 0.001 0.000 0.327 595 F C 0.741 176.634 175.800 0.155 0.000 1.079 595 F CA -1.643 56.435 58.000 0.131 0.000 0.967 595 F CB 1.225 40.311 39.000 0.143 0.000 1.169 595 F HN -0.109 nan 8.300 nan 0.000 0.472 596 D N 1.346 121.949 120.400 0.338 0.000 2.454 596 D HA 0.189 4.830 4.640 0.001 0.000 0.247 596 D C 0.937 177.394 176.300 0.262 0.000 1.129 596 D CA -0.374 53.788 54.000 0.271 0.000 0.877 596 D CB 1.095 42.024 40.800 0.215 0.000 1.082 596 D HN 0.651 nan 8.370 nan 0.000 0.537 597 C N 3.332 122.817 119.300 0.308 0.000 2.419 597 C HA 0.012 4.472 4.460 0.001 0.000 0.283 597 C C 2.194 177.407 174.990 0.372 0.000 1.373 597 C CA 0.128 59.350 59.018 0.340 0.000 1.781 597 C CB -0.760 27.110 27.740 0.216 0.000 1.886 597 C HN 0.570 nan 8.230 nan 0.000 0.520 598 R N 1.168 121.840 120.500 0.286 0.000 2.120 598 R HA -0.086 4.254 4.340 0.001 0.000 0.234 598 R C 1.855 178.296 176.300 0.234 0.000 1.123 598 R CA 1.775 58.033 56.100 0.264 0.000 0.975 598 R CB -0.414 30.008 30.300 0.203 0.000 0.866 598 R HN 0.600 nan 8.270 nan 0.000 0.446 599 D N -0.288 120.222 120.400 0.183 0.000 2.178 599 D HA -0.187 4.454 4.640 0.001 0.000 0.201 599 D C 1.506 177.803 176.300 -0.005 0.000 0.980 599 D CA 1.231 55.280 54.000 0.081 0.000 0.842 599 D CB -0.069 40.723 40.800 -0.013 0.000 0.948 599 D HN 0.204 nan 8.370 nan 0.000 0.472 600 Y N 1.438 121.747 120.300 0.015 0.000 2.242 600 Y HA -0.116 4.435 4.550 0.001 0.000 0.291 600 Y C 2.412 178.229 175.900 -0.138 0.000 1.137 600 Y CA 0.801 58.855 58.100 -0.077 0.000 1.181 600 Y CB -0.560 37.932 38.460 0.054 0.000 0.989 600 Y HN -0.082 nan 8.280 nan 0.000 0.527 601 A N -0.801 122.189 122.820 0.282 0.000 1.892 601 A HA -0.202 4.118 4.320 0.001 0.000 0.218 601 A C 2.451 180.088 177.584 0.089 0.000 1.188 601 A CA 2.199 54.373 52.037 0.229 0.000 0.631 601 A CB -1.299 17.946 19.000 0.409 0.000 0.822 601 A HN 0.245 nan 8.150 nan 0.000 0.447 602 V N 0.187 120.152 119.914 0.085 0.000 2.295 602 V HA -0.251 3.869 4.120 0.001 0.000 0.246 602 V C 2.756 178.802 176.094 -0.080 0.000 1.049 602 V CA 2.116 64.438 62.300 0.037 0.000 1.024 602 V CB -0.799 31.069 31.823 0.075 0.000 0.648 602 V HN 0.643 nan 8.190 nan 0.000 0.447 603 V N -2.068 117.733 119.914 -0.188 0.000 2.667 603 V HA -0.114 4.006 4.120 0.001 0.000 0.252 603 V C 2.165 177.792 176.094 -0.777 0.000 1.065 603 V CA 1.477 63.460 62.300 -0.527 0.000 1.083 603 V CB -0.741 30.747 31.823 -0.558 0.000 0.692 603 V HN 0.439 nan 8.190 nan 0.000 0.468 604 L N 0.152 121.135 121.223 -0.399 0.000 2.042 604 L HA -0.147 4.193 4.340 0.001 0.000 0.210 604 L C 2.933 179.775 176.870 -0.046 0.000 1.076 604 L CA 2.254 56.957 54.840 -0.229 0.000 0.749 604 L CB -0.625 41.321 42.059 -0.188 0.000 0.893 604 L HN 0.363 nan 8.230 nan 0.000 0.432 605 R N 0.684 121.169 120.500 -0.024 0.000 2.073 605 R HA -0.153 4.188 4.340 0.001 0.000 0.234 605 R C 2.407 178.764 176.300 0.095 0.000 1.134 605 R CA 1.917 58.071 56.100 0.091 0.000 0.952 605 R CB -0.410 29.958 30.300 0.112 0.000 0.850 605 R HN 0.064 nan 8.270 nan 0.000 0.433 606 K N -0.670 119.713 120.400 -0.028 0.000 2.063 606 K HA -0.134 4.186 4.320 0.001 0.000 0.208 606 K C 2.323 179.026 176.600 0.173 0.000 1.048 606 K CA 1.654 57.959 56.287 0.031 0.000 0.928 606 K CB -1.066 31.402 32.500 -0.053 0.000 0.713 606 K HN 0.407 nan 8.250 nan 0.000 0.442 607 Y N 0.722 121.088 120.300 0.110 0.000 2.242 607 Y HA 0.163 4.713 4.550 0.001 0.000 0.291 607 Y C 2.752 178.846 175.900 0.323 0.000 1.137 607 Y CA -0.134 58.053 58.100 0.145 0.000 1.181 607 Y CB -1.406 36.983 38.460 -0.118 0.000 0.989 607 Y HN 0.193 nan 8.280 nan 0.000 0.527 608 A N 0.370 123.455 122.820 0.442 0.000 1.902 608 A HA -0.177 4.144 4.320 0.001 0.000 0.217 608 A C 1.978 179.638 177.584 0.126 0.000 1.181 608 A CA 1.891 53.987 52.037 0.099 0.000 0.623 608 A CB -0.730 18.067 19.000 -0.337 0.000 0.818 608 A HN 0.329 nan 8.150 nan 0.000 0.443 609 D N -0.387 120.205 120.400 0.320 0.000 2.133 609 D HA -0.141 4.500 4.640 0.001 0.000 0.195 609 D C 2.046 178.538 176.300 0.320 0.000 0.997 609 D CA 1.766 55.995 54.000 0.382 0.000 0.840 609 D CB -0.293 40.677 40.800 0.284 0.000 0.947 609 D HN 0.403 nan 8.370 nan 0.000 0.452 610 K N 0.394 120.964 120.400 0.284 0.000 2.025 610 K HA -0.078 4.242 4.320 0.001 0.000 0.207 610 K C 2.157 178.889 176.600 0.219 0.000 1.049 610 K CA 0.450 56.889 56.287 0.252 0.000 0.933 610 K CB -0.778 31.892 32.500 0.282 0.000 0.714 610 K HN 0.154 nan 8.250 nan 0.000 0.438 611 I N 0.293 121.003 120.570 0.234 0.000 2.439 611 I HA 0.003 4.173 4.170 0.001 0.000 0.251 611 I C 1.994 178.063 176.117 -0.080 0.000 1.139 611 I CA 1.188 62.598 61.300 0.183 0.000 1.438 611 I CB -0.514 37.669 38.000 0.305 0.000 1.085 611 I HN 0.503 nan 8.210 nan 0.000 0.427 612 Y N 0.971 121.042 120.300 -0.380 0.000 2.097 612 Y HA -0.306 4.245 4.550 0.001 0.000 0.282 612 Y C 2.619 178.395 175.900 -0.206 0.000 1.152 612 Y CA 2.169 59.887 58.100 -0.637 0.000 1.136 612 Y CB -0.748 37.566 38.460 -0.243 0.000 0.975 612 Y HN 0.179 nan 8.280 nan 0.000 0.498 613 S N 0.530 116.164 115.700 -0.109 0.000 2.400 613 S HA -0.196 4.274 4.470 0.001 0.000 0.232 613 S C 2.019 176.559 174.600 -0.100 0.000 1.025 613 S CA 1.679 59.807 58.200 -0.120 0.000 0.993 613 S CB -0.500 62.738 63.200 0.063 0.000 0.808 613 S HN 0.524 nan 8.310 nan 0.000 0.478 614 I N 0.549 121.105 120.570 -0.023 0.000 2.353 614 I HA -0.101 4.070 4.170 0.001 0.000 0.248 614 I C 2.609 178.790 176.117 0.107 0.000 1.119 614 I CA 0.791 62.122 61.300 0.051 0.000 1.417 614 I CB -0.333 37.725 38.000 0.097 0.000 1.078 614 I HN 0.269 nan 8.210 nan 0.000 0.421 615 S N 0.659 116.408 115.700 0.083 0.000 2.383 615 S HA -0.117 4.353 4.470 0.001 0.000 0.227 615 S C 2.020 176.758 174.600 0.229 0.000 1.026 615 S CA 1.126 59.505 58.200 0.299 0.000 0.981 615 S CB -0.023 63.430 63.200 0.422 0.000 0.818 615 S HN 0.240 nan 8.310 nan 0.000 0.472 616 M N 0.990 120.523 119.600 -0.111 0.000 2.632 616 M HA 0.071 4.551 4.480 0.001 0.000 0.256 616 M C 1.196 177.442 176.300 -0.090 0.000 1.080 616 M CA 0.806 56.008 55.300 -0.163 0.000 1.084 616 M CB -0.698 31.665 32.600 -0.395 0.000 1.439 616 M HN 0.114 nan 8.290 nan 0.000 0.509 617 K N 0.006 120.349 120.400 -0.095 0.000 2.574 617 K HA -0.024 4.296 4.320 0.001 0.000 0.193 617 K C 0.225 176.574 176.600 -0.419 0.000 1.035 617 K CA 0.692 56.822 56.287 -0.262 0.000 0.982 617 K CB -0.290 31.992 32.500 -0.362 0.000 0.795 617 K HN 0.483 nan 8.250 nan 0.000 0.491 618 H N -0.255 118.844 119.070 0.048 0.000 2.439 618 H HA 0.143 4.699 4.556 0.001 0.000 0.230 618 H C -1.887 173.394 175.328 -0.077 0.000 1.420 618 H CA -1.441 54.632 56.048 0.041 0.000 1.305 618 H CB 1.147 31.034 29.762 0.208 0.000 1.667 618 H HN -0.057 nan 8.280 nan 0.000 0.515 619 P HA -0.186 nan 4.420 nan 0.000 0.217 619 P C 1.767 179.013 177.300 -0.089 0.000 1.150 619 P CA 1.060 64.136 63.100 -0.040 0.000 0.832 619 P CB 0.680 32.361 31.700 -0.031 0.000 0.787 620 Q N 0.905 120.652 119.800 -0.088 0.000 2.084 620 Q HA -0.180 4.160 4.340 0.001 0.000 0.202 620 Q C 1.975 177.832 176.000 -0.238 0.000 0.978 620 Q CA 1.878 57.604 55.803 -0.129 0.000 0.844 620 Q CB -0.826 27.861 28.738 -0.086 0.000 0.898 620 Q HN 0.182 nan 8.270 nan 0.000 0.426 621 E N -0.722 119.293 120.200 -0.309 0.000 2.152 621 E HA -0.072 4.279 4.350 0.001 0.000 0.192 621 E C 1.899 178.115 176.600 -0.640 0.000 0.983 621 E CA 1.195 57.248 56.400 -0.577 0.000 0.818 621 E CB -0.166 28.979 29.700 -0.925 0.000 0.758 621 E HN 0.409 nan 8.360 nan 0.000 0.467 622 M N 0.256 119.551 119.600 -0.508 0.000 2.213 622 M HA -0.147 4.333 4.480 0.001 0.000 0.263 622 M C 1.775 177.977 176.300 -0.164 0.000 1.062 622 M CA 1.403 56.533 55.300 -0.283 0.000 1.105 622 M CB -0.165 32.383 32.600 -0.086 0.000 1.385 622 M HN -0.003 nan 8.290 nan 0.000 0.417 623 K N -0.492 119.797 120.400 -0.184 0.000 2.031 623 K HA -0.035 4.286 4.320 0.001 0.000 0.205 623 K C 1.965 178.434 176.600 -0.217 0.000 1.049 623 K CA 1.542 57.741 56.287 -0.148 0.000 0.939 623 K CB -0.343 32.083 32.500 -0.125 0.000 0.717 623 K HN 0.204 nan 8.250 nan 0.000 0.438 624 T N 0.439 114.769 114.554 -0.374 0.000 2.759 624 T HA -0.140 4.210 4.350 0.001 0.000 0.269 624 T C 1.062 175.399 174.700 -0.605 0.000 1.042 624 T CA 1.405 63.163 62.100 -0.569 0.000 1.140 624 T CB -0.177 68.121 68.868 -0.949 0.000 0.864 624 T HN 0.204 nan 8.240 nan 0.000 0.455 625 Y N 0.655 120.862 120.300 -0.154 0.000 2.458 625 Y HA 0.368 4.919 4.550 0.001 0.000 0.256 625 Y C 1.179 177.048 175.900 -0.051 0.000 1.159 625 Y CA -0.921 57.126 58.100 -0.089 0.000 1.261 625 Y CB -0.177 38.239 38.460 -0.074 0.000 1.119 625 Y HN -0.014 nan 8.280 nan 0.000 0.524 626 S N -0.027 115.686 115.700 0.022 0.000 3.797 626 S HA -0.122 4.348 4.470 0.001 0.000 0.374 626 S C -0.257 174.382 174.600 0.065 0.000 0.970 626 S CA 0.271 58.490 58.200 0.033 0.000 1.177 626 S CB -2.125 61.091 63.200 0.028 0.000 0.891 626 S HN 0.123 nan 8.310 nan 0.000 0.491 627 V N 1.691 121.653 119.914 0.080 0.000 2.372 627 V HA 0.528 4.649 4.120 0.001 0.000 0.261 627 V C 0.605 176.773 176.094 0.123 0.000 1.055 627 V CA -0.087 62.275 62.300 0.104 0.000 0.930 627 V CB 1.442 33.377 31.823 0.186 0.000 1.031 627 V HN 0.571 nan 8.190 nan 0.000 0.479 628 S N 3.625 119.363 115.700 0.064 0.000 2.472 628 S HA 0.620 5.090 4.470 0.001 0.000 0.303 628 S C 0.089 174.719 174.600 0.049 0.000 1.099 628 S CA -0.530 57.753 58.200 0.138 0.000 1.077 628 S CB 0.780 64.044 63.200 0.106 0.000 1.031 628 S HN 0.512 nan 8.310 nan 0.000 0.487 629 F N 1.915 122.020 119.950 0.259 0.000 2.693 629 F HA 0.200 4.728 4.527 0.001 0.000 0.303 629 F C 1.483 177.453 175.800 0.285 0.000 1.097 629 F CA -0.271 57.881 58.000 0.253 0.000 1.330 629 F CB 0.283 39.529 39.000 0.409 0.000 1.067 629 F HN 0.505 nan 8.300 nan 0.000 0.565 630 D N 0.086 120.700 120.400 0.356 0.000 2.158 630 D HA -0.202 4.439 4.640 0.001 0.000 0.197 630 D C 2.392 178.828 176.300 0.226 0.000 0.995 630 D CA 1.948 56.116 54.000 0.280 0.000 0.846 630 D CB -0.425 40.473 40.800 0.164 0.000 0.941 630 D HN 0.277 nan 8.370 nan 0.000 0.456 631 S N 0.172 115.965 115.700 0.154 0.000 2.383 631 S HA -0.123 4.347 4.470 0.001 0.000 0.227 631 S C 1.972 176.634 174.600 0.103 0.000 1.026 631 S CA 0.451 58.724 58.200 0.121 0.000 0.981 631 S CB -0.545 62.717 63.200 0.103 0.000 0.818 631 S HN 0.181 nan 8.310 nan 0.000 0.472 632 L N 0.680 121.932 121.223 0.049 0.000 2.027 632 L HA 0.201 4.541 4.340 0.001 0.000 0.206 632 L C 2.059 178.886 176.870 -0.072 0.000 1.074 632 L CA 1.535 56.328 54.840 -0.079 0.000 0.745 632 L CB -1.098 40.823 42.059 -0.230 0.000 0.898 632 L HN 0.231 nan 8.230 nan 0.000 0.433 633 F N -0.842 119.170 119.950 0.104 0.000 2.171 633 F HA -0.175 4.352 4.527 0.001 0.000 0.300 633 F C 2.941 178.790 175.800 0.081 0.000 1.090 633 F CA 1.552 59.599 58.000 0.079 0.000 1.293 633 F CB -1.088 37.934 39.000 0.038 0.000 1.013 633 F HN 0.198 nan 8.300 nan 0.000 0.486 634 S N -0.096 115.756 115.700 0.254 0.000 2.355 634 S HA -0.155 4.315 4.470 0.001 0.000 0.222 634 S C 2.400 177.092 174.600 0.153 0.000 1.031 634 S CA 1.106 59.413 58.200 0.178 0.000 0.993 634 S CB -0.627 62.660 63.200 0.147 0.000 0.859 634 S HN 0.284 nan 8.310 nan 0.000 0.453 635 A N 0.988 123.891 122.820 0.137 0.000 1.892 635 A HA -0.083 4.238 4.320 0.001 0.000 0.218 635 A C 2.364 180.056 177.584 0.179 0.000 1.188 635 A CA 2.136 54.254 52.037 0.135 0.000 0.631 635 A CB -1.250 17.812 19.000 0.103 0.000 0.822 635 A HN 0.483 nan 8.150 nan 0.000 0.447 636 V N 0.293 120.307 119.914 0.167 0.000 2.343 636 V HA -0.269 3.852 4.120 0.001 0.000 0.247 636 V C 2.559 178.791 176.094 0.229 0.000 1.051 636 V CA 2.374 64.786 62.300 0.186 0.000 1.036 636 V CB -0.673 31.238 31.823 0.146 0.000 0.654 636 V HN 0.738 nan 8.190 nan 0.000 0.451 637 K N 0.272 120.795 120.400 0.206 0.000 2.063 637 K HA -0.239 4.082 4.320 0.001 0.000 0.208 637 K C 1.963 178.662 176.600 0.166 0.000 1.048 637 K CA 1.981 58.374 56.287 0.178 0.000 0.928 637 K CB -0.177 32.415 32.500 0.153 0.000 0.713 637 K HN 0.440 nan 8.250 nan 0.000 0.442 638 N N 0.374 119.171 118.700 0.161 0.000 2.142 638 N HA -0.145 4.595 4.740 0.001 0.000 0.186 638 N C 1.558 177.154 175.510 0.142 0.000 1.023 638 N CA 1.042 54.168 53.050 0.127 0.000 0.852 638 N CB -0.483 38.064 38.487 0.101 0.000 0.998 638 N HN 0.208 nan 8.380 nan 0.000 0.424 639 F N 2.045 122.028 119.950 0.055 0.000 2.095 639 F HA -0.229 4.298 4.527 0.001 0.000 0.298 639 F C 2.135 177.977 175.800 0.070 0.000 1.104 639 F CA 1.417 59.446 58.000 0.048 0.000 1.232 639 F CB -0.443 38.598 39.000 0.069 0.000 0.987 639 F HN -0.028 nan 8.300 nan 0.000 0.475 640 T N 0.114 114.901 114.554 0.389 0.000 2.699 640 T HA -0.252 4.098 4.350 0.001 0.000 0.268 640 T C 1.649 176.438 174.700 0.148 0.000 1.036 640 T CA 2.016 64.277 62.100 0.269 0.000 1.147 640 T CB -0.407 68.590 68.868 0.216 0.000 0.862 640 T HN 0.458 nan 8.240 nan 0.000 0.446 641 E N 0.333 120.598 120.200 0.107 0.000 2.076 641 E HA 0.052 4.402 4.350 0.001 0.000 0.190 641 E C 2.268 178.892 176.600 0.040 0.000 0.979 641 E CA 0.692 57.134 56.400 0.071 0.000 0.807 641 E CB -0.179 29.559 29.700 0.064 0.000 0.761 641 E HN 0.447 nan 8.360 nan 0.000 0.454 642 I N 1.371 121.937 120.570 -0.006 0.000 2.315 642 I HA -0.222 3.948 4.170 0.001 0.000 0.248 642 I C 2.560 178.645 176.117 -0.053 0.000 1.117 642 I CA 0.749 62.018 61.300 -0.052 0.000 1.404 642 I CB -0.242 37.680 38.000 -0.130 0.000 1.071 642 I HN 0.066 nan 8.210 nan 0.000 0.419 643 A N -0.170 122.573 122.820 -0.128 0.000 1.908 643 A HA -0.265 4.055 4.320 0.001 0.000 0.218 643 A C 2.486 180.145 177.584 0.125 0.000 1.181 643 A CA 2.305 54.321 52.037 -0.036 0.000 0.627 643 A CB -0.892 18.105 19.000 -0.005 0.000 0.818 643 A HN 0.391 nan 8.150 nan 0.000 0.445 644 S N -0.664 115.099 115.700 0.105 0.000 2.359 644 S HA -0.221 4.249 4.470 0.001 0.000 0.224 644 S C 2.080 176.736 174.600 0.093 0.000 1.035 644 S CA 2.131 60.394 58.200 0.106 0.000 1.018 644 S CB -0.277 62.978 63.200 0.091 0.000 0.876 644 S HN 0.525 nan 8.310 nan 0.000 0.448 645 K N 0.112 120.561 120.400 0.081 0.000 2.097 645 K HA 0.010 4.330 4.320 0.001 0.000 0.206 645 K C 1.681 178.329 176.600 0.079 0.000 1.049 645 K CA 1.414 57.741 56.287 0.068 0.000 0.933 645 K CB -0.524 32.010 32.500 0.056 0.000 0.717 645 K HN 0.478 nan 8.250 nan 0.000 0.442 646 F N 1.158 121.099 119.950 -0.015 0.000 2.102 646 F HA -0.236 4.291 4.527 0.001 0.000 0.298 646 F C 1.975 177.790 175.800 0.026 0.000 1.105 646 F CA 1.535 59.528 58.000 -0.013 0.000 1.239 646 F CB -0.380 38.593 39.000 -0.045 0.000 0.991 646 F HN -0.071 nan 8.300 nan 0.000 0.474 647 S N 0.372 116.132 115.700 0.099 0.000 2.365 647 S HA -0.276 4.194 4.470 0.001 0.000 0.225 647 S C 1.785 176.361 174.600 -0.039 0.000 1.039 647 S CA 1.766 59.982 58.200 0.027 0.000 1.033 647 S CB -0.625 62.642 63.200 0.111 0.000 0.887 647 S HN 0.537 nan 8.310 nan 0.000 0.447 648 E N 1.000 121.193 120.200 -0.011 0.000 2.070 648 E HA -0.187 4.164 4.350 0.001 0.000 0.197 648 E C 2.374 178.950 176.600 -0.041 0.000 1.004 648 E CA 1.127 57.520 56.400 -0.012 0.000 0.805 648 E CB -0.199 29.505 29.700 0.007 0.000 0.744 648 E HN 0.432 nan 8.360 nan 0.000 0.451 649 R N 0.148 120.587 120.500 -0.101 0.000 2.115 649 R HA -0.107 4.233 4.340 0.001 0.000 0.230 649 R C 2.361 178.613 176.300 -0.079 0.000 1.111 649 R CA 0.614 56.650 56.100 -0.107 0.000 0.976 649 R CB -0.249 29.950 30.300 -0.168 0.000 0.870 649 R HN 0.119 nan 8.270 nan 0.000 0.445 650 L N 0.854 121.947 121.223 -0.216 0.000 2.156 650 L HA -0.148 4.192 4.340 0.001 0.000 0.208 650 L C 2.384 179.336 176.870 0.136 0.000 1.095 650 L CA 1.645 56.441 54.840 -0.073 0.000 0.770 650 L CB -0.408 41.496 42.059 -0.258 0.000 0.914 650 L HN -0.055 nan 8.230 nan 0.000 0.439 651 Q N -0.966 118.854 119.800 0.034 0.000 2.119 651 Q HA -0.119 4.222 4.340 0.001 0.000 0.201 651 Q C 0.652 176.645 176.000 -0.012 0.000 0.972 651 Q CA 1.518 57.326 55.803 0.008 0.000 0.847 651 Q CB -0.413 28.328 28.738 0.004 0.000 0.903 651 Q HN 0.654 nan 8.270 nan 0.000 0.433 652 D N -0.196 120.226 120.400 0.036 0.000 2.894 652 D HA 0.262 4.902 4.640 0.001 0.000 0.248 652 D C -0.410 175.946 176.300 0.093 0.000 1.291 652 D CA -0.163 53.855 54.000 0.030 0.000 0.840 652 D CB -0.376 40.444 40.800 0.033 0.000 1.044 652 D HN 0.463 nan 8.370 nan 0.000 0.484 653 F N -0.803 119.118 119.950 -0.050 0.000 2.613 653 F HA 0.442 4.969 4.527 0.001 0.000 0.314 653 F C -0.935 174.847 175.800 -0.031 0.000 1.075 653 F CA -1.450 56.525 58.000 -0.042 0.000 0.945 653 F CB 1.315 40.282 39.000 -0.055 0.000 1.310 653 F HN -0.221 nan 8.300 nan 0.000 0.467 654 D N 1.956 122.351 120.400 -0.008 0.000 2.232 654 D HA 0.185 4.826 4.640 0.001 0.000 0.242 654 D C -0.096 176.114 176.300 -0.149 0.000 1.093 654 D CA -0.444 53.451 54.000 -0.176 0.000 0.845 654 D CB 2.068 42.827 40.800 -0.069 0.000 1.124 654 D HN 0.696 nan 8.370 nan 0.000 0.467 655 K N 1.462 121.653 120.400 -0.348 0.000 2.362 655 K HA -0.079 4.241 4.320 0.001 0.000 0.200 655 K C 1.937 178.532 176.600 -0.008 0.000 1.046 655 K CA 0.383 56.561 56.287 -0.182 0.000 0.952 655 K CB -0.020 32.357 32.500 -0.205 0.000 0.753 655 K HN 0.319 nan 8.250 nan 0.000 0.466 656 S N 0.866 116.549 115.700 -0.027 0.000 2.368 656 S HA -0.118 4.352 4.470 0.001 0.000 0.225 656 S C 0.669 175.296 174.600 0.046 0.000 1.030 656 S CA 0.612 58.818 58.200 0.009 0.000 0.999 656 S CB -0.295 62.902 63.200 -0.004 0.000 0.844 656 S HN 0.325 nan 8.310 nan 0.000 0.459 657 N N 1.939 120.687 118.700 0.079 0.000 2.412 657 N HA 0.085 4.825 4.740 0.001 0.000 0.279 657 N C -1.914 173.661 175.510 0.108 0.000 1.287 657 N CA -1.570 51.536 53.050 0.094 0.000 0.948 657 N CB 1.163 39.717 38.487 0.113 0.000 1.255 657 N HN 0.154 nan 8.380 nan 0.000 0.485 658 P HA -0.127 nan 4.420 nan 0.000 0.216 658 P C 1.406 178.730 177.300 0.040 0.000 1.153 658 P CA 0.843 63.976 63.100 0.054 0.000 0.848 658 P CB 0.317 32.033 31.700 0.028 0.000 0.787 659 I N -0.999 119.587 120.570 0.027 0.000 2.315 659 I HA -0.127 4.043 4.170 0.001 0.000 0.248 659 I C 2.217 178.326 176.117 -0.013 0.000 1.117 659 I CA 1.355 62.659 61.300 0.007 0.000 1.404 659 I CB -1.243 36.760 38.000 0.006 0.000 1.071 659 I HN -0.137 nan 8.210 nan 0.000 0.419 660 V N 0.804 120.710 119.914 -0.012 0.000 2.548 660 V HA -0.213 3.907 4.120 0.001 0.000 0.249 660 V C 2.436 178.405 176.094 -0.208 0.000 1.055 660 V CA 0.980 63.222 62.300 -0.096 0.000 1.065 660 V CB -0.560 31.231 31.823 -0.052 0.000 0.681 660 V HN 0.294 nan 8.190 nan 0.000 0.462 661 L N 0.706 121.911 121.223 -0.029 0.000 2.005 661 L HA -0.099 4.241 4.340 0.001 0.000 0.207 661 L C 2.551 179.401 176.870 -0.033 0.000 1.072 661 L CA 2.052 56.912 54.840 0.033 0.000 0.744 661 L CB -0.902 41.277 42.059 0.200 0.000 0.895 661 L HN 0.217 nan 8.230 nan 0.000 0.433 662 R N 0.120 120.613 120.500 -0.013 0.000 2.096 662 R HA -0.247 4.093 4.340 0.001 0.000 0.240 662 R C 2.367 178.656 176.300 -0.017 0.000 1.139 662 R CA 2.595 58.686 56.100 -0.014 0.000 0.952 662 R CB -1.030 29.266 30.300 -0.006 0.000 0.854 662 R HN 0.646 nan 8.270 nan 0.000 0.436 663 M N -0.747 118.831 119.600 -0.037 0.000 2.117 663 M HA -0.180 4.301 4.480 0.001 0.000 0.262 663 M C 1.510 177.809 176.300 -0.002 0.000 1.065 663 M CA 1.937 57.225 55.300 -0.019 0.000 1.114 663 M CB -0.057 32.518 32.600 -0.042 0.000 1.361 663 M HN 0.115 nan 8.290 nan 0.000 0.408 664 M N 0.420 119.971 119.600 -0.081 0.000 2.132 664 M HA -0.123 4.357 4.480 0.001 0.000 0.263 664 M C 1.689 178.058 176.300 0.116 0.000 1.065 664 M CA 1.418 56.714 55.300 -0.007 0.000 1.122 664 M CB -1.880 30.527 32.600 -0.322 0.000 1.365 664 M HN 0.372 nan 8.290 nan 0.000 0.411 665 N N 1.129 119.851 118.700 0.036 0.000 2.223 665 N HA -0.138 4.603 4.740 0.001 0.000 0.185 665 N C 1.250 176.766 175.510 0.010 0.000 1.016 665 N CA 1.202 54.269 53.050 0.028 0.000 0.863 665 N CB -0.322 38.156 38.487 -0.016 0.000 0.983 665 N HN 0.312 nan 8.380 nan 0.000 0.429 666 D N 0.702 121.114 120.400 0.021 0.000 2.149 666 D HA -0.053 4.588 4.640 0.001 0.000 0.201 666 D C 1.919 178.290 176.300 0.120 0.000 0.972 666 D CA 0.663 54.677 54.000 0.023 0.000 0.835 666 D CB -0.068 40.820 40.800 0.147 0.000 0.966 666 D HN 0.378 nan 8.370 nan 0.000 0.476 667 Q N -0.215 119.659 119.800 0.123 0.000 2.084 667 Q HA -0.113 4.227 4.340 0.001 0.000 0.202 667 Q C 1.929 177.928 176.000 -0.001 0.000 0.978 667 Q CA 0.609 56.441 55.803 0.049 0.000 0.844 667 Q CB 0.017 28.739 28.738 -0.026 0.000 0.898 667 Q HN 0.181 nan 8.270 nan 0.000 0.426 668 L N 0.477 121.763 121.223 0.104 0.000 2.017 668 L HA -0.170 4.170 4.340 0.001 0.000 0.208 668 L C 2.283 179.307 176.870 0.256 0.000 1.073 668 L CA 1.734 56.702 54.840 0.214 0.000 0.745 668 L CB -0.966 41.272 42.059 0.299 0.000 0.894 668 L HN 0.371 nan 8.230 nan 0.000 0.432 669 M N -1.853 117.813 119.600 0.110 0.000 2.086 669 M HA -0.240 4.241 4.480 0.001 0.000 0.261 669 M C 1.854 178.082 176.300 -0.120 0.000 1.067 669 M CA 1.851 57.147 55.300 -0.008 0.000 1.116 669 M CB -0.152 32.277 32.600 -0.284 0.000 1.348 669 M HN 0.095 nan 8.290 nan 0.000 0.407 670 F N 0.141 120.120 119.950 0.048 0.000 2.802 670 F HA -0.004 4.524 4.527 0.001 0.000 0.300 670 F C 1.688 177.438 175.800 -0.082 0.000 1.168 670 F CA 0.232 58.221 58.000 -0.019 0.000 1.433 670 F CB -0.725 38.242 39.000 -0.055 0.000 1.115 670 F HN 0.203 nan 8.300 nan 0.000 0.582 671 L N 0.385 121.652 121.223 0.074 0.000 2.072 671 L HA -0.121 4.220 4.340 0.001 0.000 0.205 671 L C 2.334 179.168 176.870 -0.060 0.000 1.079 671 L CA 1.821 56.625 54.840 -0.061 0.000 0.752 671 L CB -0.770 41.264 42.059 -0.043 0.000 0.906 671 L HN 0.040 nan 8.230 nan 0.000 0.436 672 E N -0.227 120.038 120.200 0.108 0.000 2.118 672 E HA -0.288 4.062 4.350 0.001 0.000 0.195 672 E C 2.346 179.016 176.600 0.117 0.000 0.992 672 E CA 1.255 57.801 56.400 0.245 0.000 0.804 672 E CB -0.153 29.720 29.700 0.288 0.000 0.741 672 E HN 0.316 nan 8.360 nan 0.000 0.458 673 R N -0.271 120.282 120.500 0.089 0.000 2.120 673 R HA 0.035 4.375 4.340 0.001 0.000 0.234 673 R C 1.978 178.225 176.300 -0.088 0.000 1.123 673 R CA 1.260 57.404 56.100 0.073 0.000 0.975 673 R CB -0.543 29.911 30.300 0.257 0.000 0.866 673 R HN 0.235 nan 8.270 nan 0.000 0.446 674 A N -0.746 121.940 122.820 -0.224 0.000 2.070 674 A HA -0.100 4.221 4.320 0.001 0.000 0.220 674 A C 1.362 178.637 177.584 -0.514 0.000 1.159 674 A CA 0.987 52.782 52.037 -0.404 0.000 0.656 674 A CB -0.568 18.111 19.000 -0.534 0.000 0.800 674 A HN 0.350 nan 8.150 nan 0.000 0.453 675 F N -0.079 119.672 119.950 -0.331 0.000 2.811 675 F HA 0.219 4.746 4.527 0.001 0.000 0.301 675 F C 0.566 176.076 175.800 -0.482 0.000 1.151 675 F CA -0.476 57.228 58.000 -0.493 0.000 1.412 675 F CB -0.018 38.491 39.000 -0.817 0.000 1.113 675 F HN 0.015 nan 8.300 nan 0.000 0.579 676 I N 1.104 121.552 120.570 -0.203 0.000 2.496 676 I HA 0.020 4.190 4.170 0.001 0.000 0.285 676 I C 0.115 176.185 176.117 -0.079 0.000 1.080 676 I CA -0.163 61.061 61.300 -0.126 0.000 1.404 676 I CB 0.211 38.169 38.000 -0.071 0.000 1.403 676 I HN -0.053 nan 8.210 nan 0.000 0.539 677 D N 9.378 129.753 120.400 -0.042 0.000 2.274 677 D HA 0.254 4.894 4.640 0.001 0.000 0.239 677 D C -1.577 174.707 176.300 -0.027 0.000 1.104 677 D CA -1.872 52.116 54.000 -0.020 0.000 0.840 677 D CB 2.251 43.049 40.800 -0.004 0.000 1.100 677 D HN 0.243 nan 8.370 nan 0.000 0.477 678 P HA -0.060 nan 4.420 nan 0.000 0.225 678 P C 1.498 178.762 177.300 -0.060 0.000 1.148 678 P CA 0.513 63.588 63.100 -0.042 0.000 0.779 678 P CB 0.465 32.143 31.700 -0.037 0.000 0.780 679 L N -1.571 119.619 121.223 -0.055 0.000 2.552 679 L HA 0.160 4.500 4.340 0.001 0.000 0.227 679 L C 1.359 178.176 176.870 -0.090 0.000 1.146 679 L CA 0.478 55.275 54.840 -0.072 0.000 0.858 679 L CB -1.239 40.785 42.059 -0.058 0.000 0.969 679 L HN 0.096 nan 8.230 nan 0.000 0.451 680 G N 0.516 109.273 108.800 -0.072 0.000 2.855 680 G HA2 -0.258 3.702 3.960 0.001 0.000 0.352 680 G HA3 -0.258 3.702 3.960 0.001 0.000 0.352 680 G C -0.473 174.409 174.900 -0.031 0.000 1.415 680 G CA -0.712 44.349 45.100 -0.065 0.000 0.871 680 G HN 0.055 nan 8.290 nan 0.000 0.543 681 L N 0.978 122.203 121.223 0.003 0.000 2.439 681 L HA 0.382 4.722 4.340 0.001 0.000 0.261 681 L C -1.676 175.188 176.870 -0.010 0.000 1.153 681 L CA -1.770 53.084 54.840 0.023 0.000 0.808 681 L CB 0.902 43.008 42.059 0.079 0.000 1.126 681 L HN 0.321 nan 8.230 nan 0.000 0.460 682 P HA -0.013 nan 4.420 nan 0.000 0.257 682 P C -0.489 176.792 177.300 -0.031 0.000 1.189 682 P CA 0.582 63.669 63.100 -0.022 0.000 0.780 682 P CB 0.235 31.929 31.700 -0.011 0.000 0.772 683 D N 1.611 121.976 120.400 -0.058 0.000 2.911 683 D HA -0.169 4.472 4.640 0.001 0.000 0.199 683 D C 0.035 176.278 176.300 -0.095 0.000 1.041 683 D CA 1.011 54.968 54.000 -0.071 0.000 1.013 683 D CB -0.698 40.073 40.800 -0.049 0.000 1.093 683 D HN 0.535 nan 8.370 nan 0.000 0.431 684 R N 0.234 120.675 120.500 -0.098 0.000 2.651 684 R HA 0.199 4.539 4.340 0.001 0.000 0.282 684 R C -1.874 174.298 176.300 -0.213 0.000 1.565 684 R CA -1.183 54.837 56.100 -0.133 0.000 1.661 684 R CB 1.323 31.635 30.300 0.020 0.000 1.189 684 R HN 0.026 nan 8.270 nan 0.000 0.621 685 P HA -0.129 nan 4.420 nan 0.000 0.221 685 P C 0.527 177.434 177.300 -0.656 0.000 1.145 685 P CA 1.187 63.967 63.100 -0.534 0.000 0.795 685 P CB 0.140 31.381 31.700 -0.766 0.000 0.775 686 F N -2.697 117.114 119.950 -0.231 0.000 2.765 686 F HA 0.152 4.679 4.527 0.001 0.000 0.302 686 F C 0.689 176.400 175.800 -0.149 0.000 1.111 686 F CA -0.181 57.668 58.000 -0.252 0.000 1.359 686 F CB -0.642 38.154 39.000 -0.339 0.000 1.097 686 F HN -0.186 nan 8.300 nan 0.000 0.577 687 Y N 0.939 121.248 120.300 0.014 0.000 2.417 687 Y HA 0.431 4.981 4.550 0.001 0.000 0.336 687 Y C 1.057 176.958 175.900 0.001 0.000 0.961 687 Y CA -1.513 56.597 58.100 0.018 0.000 1.215 687 Y CB 0.495 38.959 38.460 0.007 0.000 1.120 687 Y HN 0.012 nan 8.280 nan 0.000 0.499 688 R N -0.074 120.530 120.500 0.173 0.000 2.446 688 R HA 0.072 4.413 4.340 0.001 0.000 0.254 688 R C 0.123 176.466 176.300 0.070 0.000 0.918 688 R CA -0.246 55.899 56.100 0.076 0.000 1.069 688 R CB 0.600 30.920 30.300 0.032 0.000 1.194 688 R HN 0.473 nan 8.270 nan 0.000 0.534 689 H N 1.118 120.190 119.070 0.003 0.000 2.764 689 H HA 0.062 4.618 4.556 0.001 0.000 0.341 689 H C 0.983 176.298 175.328 -0.022 0.000 1.072 689 H CA 0.349 56.371 56.048 -0.043 0.000 1.444 689 H CB 1.464 31.133 29.762 -0.155 0.000 1.458 689 H HN -0.187 nan 8.280 nan 0.000 0.572 690 V N 6.028 125.958 119.914 0.028 0.000 2.992 690 V HA -0.133 3.987 4.120 0.001 0.000 0.250 690 V C 2.117 178.242 176.094 0.053 0.000 1.090 690 V CA 0.500 62.848 62.300 0.080 0.000 1.101 690 V CB -0.068 31.806 31.823 0.085 0.000 0.743 690 V HN 0.646 nan 8.190 nan 0.000 0.468 691 I N -1.149 119.381 120.570 -0.067 0.000 2.480 691 I HA 0.058 4.229 4.170 0.001 0.000 0.251 691 I C 0.604 176.297 176.117 -0.707 0.000 1.124 691 I CA 0.974 61.928 61.300 -0.578 0.000 1.444 691 I CB -0.745 36.723 38.000 -0.887 0.000 1.098 691 I HN 0.217 nan 8.210 nan 0.000 0.428 692 Y N 0.340 120.573 120.300 -0.112 0.000 2.446 692 Y HA 0.743 5.294 4.550 0.001 0.000 0.345 692 Y C 0.142 175.942 175.900 -0.167 0.000 0.984 692 Y CA -1.340 56.627 58.100 -0.220 0.000 1.058 692 Y CB 1.707 40.020 38.460 -0.245 0.000 1.220 692 Y HN 0.025 nan 8.280 nan 0.000 0.455 693 A N 2.871 125.675 122.820 -0.027 0.000 2.609 693 A HA 0.828 5.148 4.320 0.001 0.000 0.291 693 A C -3.193 174.224 177.584 -0.278 0.000 1.096 693 A CA -2.089 49.825 52.037 -0.205 0.000 0.684 693 A CB 1.513 20.395 19.000 -0.197 0.000 1.282 693 A HN 0.416 nan 8.150 nan 0.000 0.412 694 P HA 0.183 nan 4.420 nan 0.000 0.268 694 P C 0.108 177.246 177.300 -0.271 0.000 1.205 694 P CA 0.156 63.048 63.100 -0.347 0.000 0.771 694 P CB 0.763 32.217 31.700 -0.412 0.000 0.858 695 S N 1.996 117.562 115.700 -0.223 0.000 2.558 695 S HA -0.025 4.446 4.470 0.001 0.000 0.293 695 S C 1.237 175.702 174.600 -0.225 0.000 1.292 695 S CA 0.074 58.144 58.200 -0.218 0.000 1.063 695 S CB -0.346 62.736 63.200 -0.196 0.000 0.831 695 S HN 0.343 nan 8.310 nan 0.000 0.499 696 S N 3.591 119.115 115.700 -0.293 0.000 2.555 696 S HA 0.008 4.478 4.470 0.001 0.000 0.230 696 S C 0.987 175.226 174.600 -0.602 0.000 0.978 696 S CA 0.312 58.272 58.200 -0.400 0.000 0.934 696 S CB -0.255 62.660 63.200 -0.474 0.000 0.766 696 S HN 0.813 nan 8.310 nan 0.000 0.533 697 H N 0.069 119.027 119.070 -0.187 0.000 2.705 697 H HA 0.329 4.886 4.556 0.001 0.000 0.269 697 H C 0.145 175.376 175.328 -0.163 0.000 0.998 697 H CA 0.105 56.039 56.048 -0.189 0.000 1.193 697 H CB 0.356 29.980 29.762 -0.230 0.000 1.485 697 H HN 0.253 nan 8.280 nan 0.000 0.521 698 N N 0.702 119.324 118.700 -0.130 0.000 3.261 698 N HA -0.006 4.735 4.740 0.001 0.000 0.227 698 N C 0.515 175.881 175.510 -0.240 0.000 1.338 698 N CA -0.194 52.747 53.050 -0.182 0.000 0.833 698 N CB 0.954 39.299 38.487 -0.237 0.000 1.606 698 N HN -0.131 nan 8.380 nan 0.000 0.649 699 K N 1.449 121.712 120.400 -0.230 0.000 2.127 699 K HA -0.198 4.122 4.320 0.001 0.000 0.208 699 K C 0.545 176.992 176.600 -0.256 0.000 1.047 699 K CA 1.756 57.862 56.287 -0.302 0.000 0.927 699 K CB -0.012 32.156 32.500 -0.553 0.000 0.716 699 K HN 0.488 nan 8.250 nan 0.000 0.450 700 Y N -0.296 119.851 120.300 -0.255 0.000 2.373 700 Y HA 0.080 4.630 4.550 0.000 0.000 0.293 700 Y C 0.991 176.714 175.900 -0.295 0.000 1.129 700 Y CA 0.314 58.265 58.100 -0.249 0.000 1.226 700 Y CB -0.397 37.898 38.460 -0.275 0.000 1.000 700 Y HN 0.003 nan 8.280 nan 0.000 0.549 701 A N 0.347 122.978 122.820 -0.315 0.000 2.309 701 A HA 0.607 4.927 4.320 0.001 0.000 0.298 701 A C 0.832 178.356 177.584 -0.100 0.000 1.165 701 A CA -0.081 51.828 52.037 -0.213 0.000 0.821 701 A CB -0.015 18.801 19.000 -0.306 0.000 1.102 701 A HN 0.300 nan 8.150 nan 0.000 0.500 702 G N 0.914 109.694 108.800 -0.033 0.000 2.378 702 G HA2 0.461 4.422 3.960 0.001 0.000 0.255 702 G HA3 0.461 4.422 3.960 0.001 0.000 0.255 702 G C -0.254 174.579 174.900 -0.110 0.000 1.270 702 G CA -0.015 45.038 45.100 -0.077 0.000 0.876 702 G HN 0.771 nan 8.290 nan 0.000 0.521 703 E N 0.673 120.786 120.200 -0.146 0.000 2.212 703 E HA 0.532 4.882 4.350 0.001 0.000 0.268 703 E C 0.079 176.553 176.600 -0.211 0.000 0.902 703 E CA -0.671 55.587 56.400 -0.236 0.000 0.779 703 E CB 1.427 30.922 29.700 -0.342 0.000 1.172 703 E HN 0.488 nan 8.360 nan 0.000 0.409 704 S N 2.767 118.263 115.700 -0.341 0.000 2.578 704 S HA 0.469 4.940 4.470 0.001 0.000 0.283 704 S C -0.352 174.085 174.600 -0.271 0.000 1.195 704 S CA -0.601 57.241 58.200 -0.597 0.000 1.050 704 S CB 0.161 62.549 63.200 -1.353 0.000 1.012 704 S HN 0.554 nan 8.310 nan 0.000 0.511 705 F N 0.292 120.121 119.950 -0.202 0.000 2.943 705 F HA -0.099 4.429 4.527 0.001 0.000 0.258 705 F C -1.229 174.600 175.800 0.049 0.000 0.995 705 F CA 0.352 58.332 58.000 -0.034 0.000 0.896 705 F CB -2.092 36.936 39.000 0.047 0.000 0.821 705 F HN 0.548 nan 8.300 nan 0.000 0.828 706 P HA -0.208 nan 4.420 nan 0.000 0.216 706 P C 1.884 179.297 177.300 0.188 0.000 1.150 706 P CA 2.157 65.338 63.100 0.135 0.000 0.843 706 P CB -0.002 31.718 31.700 0.034 0.000 0.787 707 G N 0.353 109.251 108.800 0.164 0.000 2.421 707 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 707 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 707 G C 1.669 176.645 174.900 0.126 0.000 1.171 707 G CA 0.764 45.938 45.100 0.123 0.000 0.775 707 G HN 0.266 nan 8.290 nan 0.000 0.543 708 I N -1.056 119.614 120.570 0.167 0.000 2.233 708 I HA -0.076 4.094 4.170 0.001 0.000 0.243 708 I C 2.424 178.640 176.117 0.165 0.000 1.093 708 I CA 0.926 62.313 61.300 0.144 0.000 1.380 708 I CB -0.453 37.652 38.000 0.174 0.000 1.067 708 I HN 0.170 nan 8.210 nan 0.000 0.413 709 Y N 2.325 122.717 120.300 0.153 0.000 2.040 709 Y HA -0.382 4.169 4.550 0.001 0.000 0.275 709 Y C 2.242 178.240 175.900 0.164 0.000 1.171 709 Y CA 2.176 60.374 58.100 0.163 0.000 1.123 709 Y CB -0.269 38.276 38.460 0.142 0.000 0.963 709 Y HN 0.194 nan 8.280 nan 0.000 0.493 710 D N -0.295 120.283 120.400 0.297 0.000 2.219 710 D HA -0.108 4.532 4.640 0.001 0.000 0.205 710 D C 2.190 178.530 176.300 0.067 0.000 0.970 710 D CA 1.206 55.324 54.000 0.197 0.000 0.851 710 D CB -0.505 40.392 40.800 0.161 0.000 0.943 710 D HN 0.502 nan 8.370 nan 0.000 0.488 711 A N 0.361 123.186 122.820 0.008 0.000 1.969 711 A HA -0.063 4.257 4.320 0.001 0.000 0.218 711 A C 2.258 179.718 177.584 -0.207 0.000 1.169 711 A CA 0.707 52.689 52.037 -0.092 0.000 0.635 711 A CB -0.564 18.375 19.000 -0.102 0.000 0.810 711 A HN 0.204 nan 8.150 nan 0.000 0.445 712 L N -1.919 119.187 121.223 -0.195 0.000 2.313 712 L HA 0.090 4.431 4.340 0.001 0.000 0.214 712 L C 0.879 177.598 176.870 -0.253 0.000 1.119 712 L CA -0.246 54.414 54.840 -0.299 0.000 0.809 712 L CB -0.249 41.696 42.059 -0.190 0.000 0.933 712 L HN 0.429 nan 8.230 nan 0.000 0.449 713 F N 1.814 121.593 119.950 -0.285 0.000 2.578 713 F HA -0.039 4.489 4.527 0.001 0.000 0.381 713 F C 1.085 176.848 175.800 -0.061 0.000 1.069 713 F CA -0.108 57.781 58.000 -0.184 0.000 1.231 713 F CB 0.009 38.980 39.000 -0.048 0.000 1.086 713 F HN 0.078 nan 8.300 nan 0.000 0.564 714 D N 4.667 124.578 120.400 -0.816 0.000 2.708 714 D HA -0.306 4.334 4.640 0.001 0.000 0.236 714 D C 0.974 177.135 176.300 -0.231 0.000 1.146 714 D CA 1.179 54.888 54.000 -0.484 0.000 0.662 714 D CB -1.330 39.307 40.800 -0.272 0.000 1.059 714 D HN 0.716 nan 8.370 nan 0.000 0.428 715 I N 0.081 120.491 120.570 -0.267 0.000 2.546 715 I HA -0.209 3.961 4.170 0.001 0.000 0.255 715 I C 1.597 177.607 176.117 -0.178 0.000 1.163 715 I CA 0.920 62.033 61.300 -0.311 0.000 1.457 715 I CB 0.128 37.761 38.000 -0.612 0.000 1.092 715 I HN 0.035 nan 8.210 nan 0.000 0.434 716 E N 0.571 120.719 120.200 -0.087 0.000 2.273 716 E HA -0.192 4.159 4.350 0.001 0.000 0.198 716 E C 1.939 178.527 176.600 -0.020 0.000 1.002 716 E CA 1.367 57.777 56.400 0.016 0.000 0.828 716 E CB -0.467 29.266 29.700 0.054 0.000 0.747 716 E HN 0.378 nan 8.360 nan 0.000 0.491 717 S N -0.097 115.563 115.700 -0.067 0.000 2.535 717 S HA 0.066 4.537 4.470 0.001 0.000 0.214 717 S C 0.464 175.044 174.600 -0.032 0.000 0.980 717 S CA -0.214 57.953 58.200 -0.055 0.000 0.907 717 S CB 0.255 63.408 63.200 -0.077 0.000 0.790 717 S HN 0.066 nan 8.310 nan 0.000 0.510 718 K N 1.363 121.737 120.400 -0.044 0.000 2.355 718 K HA 0.158 4.479 4.320 0.001 0.000 0.270 718 K C 0.905 177.497 176.600 -0.012 0.000 1.003 718 K CA -0.084 56.179 56.287 -0.039 0.000 0.957 718 K CB 0.978 33.429 32.500 -0.082 0.000 0.939 718 K HN -0.032 nan 8.250 nan 0.000 0.482 719 V N 0.561 120.471 119.914 -0.007 0.000 3.354 719 V HA -0.044 4.076 4.120 0.001 0.000 0.258 719 V C -0.049 176.054 176.094 0.015 0.000 1.159 719 V CA 0.891 63.195 62.300 0.008 0.000 1.125 719 V CB -0.031 31.796 31.823 0.006 0.000 0.774 719 V HN 0.670 nan 8.190 nan 0.000 0.464 720 D N 0.274 120.675 120.400 0.002 0.000 2.458 720 D HA 0.312 4.953 4.640 0.001 0.000 0.258 720 D C -1.677 174.621 176.300 -0.004 0.000 1.134 720 D CA -2.105 51.898 54.000 0.005 0.000 0.915 720 D CB 1.696 42.490 40.800 -0.011 0.000 1.028 720 D HN 0.212 nan 8.370 nan 0.000 0.508 721 P HA -0.128 nan 4.420 nan 0.000 0.220 721 P C 1.243 178.504 177.300 -0.064 0.000 1.148 721 P CA 0.806 63.972 63.100 0.110 0.000 0.803 721 P CB 0.259 32.121 31.700 0.270 0.000 0.782 722 S N -1.628 113.965 115.700 -0.178 0.000 2.439 722 S HA -0.036 4.435 4.470 0.001 0.000 0.224 722 S C 2.126 176.581 174.600 -0.241 0.000 1.029 722 S CA 0.623 58.544 58.200 -0.466 0.000 0.946 722 S CB -0.750 62.372 63.200 -0.129 0.000 0.797 722 S HN -0.069 nan 8.310 nan 0.000 0.504 723 K N 1.646 121.972 120.400 -0.123 0.000 2.009 723 K HA 0.089 4.409 4.320 0.001 0.000 0.210 723 K C 2.545 179.064 176.600 -0.136 0.000 1.049 723 K CA 1.513 57.742 56.287 -0.097 0.000 0.929 723 K CB -1.508 30.952 32.500 -0.065 0.000 0.714 723 K HN 0.686 nan 8.250 nan 0.000 0.440 724 A N -1.014 121.702 122.820 -0.173 0.000 1.908 724 A HA -0.141 4.180 4.320 0.001 0.000 0.218 724 A C 2.138 179.494 177.584 -0.381 0.000 1.181 724 A CA 1.886 53.758 52.037 -0.276 0.000 0.627 724 A CB -0.935 17.862 19.000 -0.338 0.000 0.818 724 A HN 0.749 nan 8.150 nan 0.000 0.445 725 W N -0.363 120.754 121.300 -0.306 0.000 2.518 725 W HA 0.149 4.809 4.660 0.001 0.000 0.273 725 W C 2.464 178.857 176.519 -0.211 0.000 1.247 725 W CA 0.683 57.855 57.345 -0.288 0.000 1.288 725 W CB -0.462 28.734 29.460 -0.440 0.000 1.107 725 W HN 0.378 nan 8.180 nan 0.000 0.586 726 G N 0.410 109.180 108.800 -0.051 0.000 2.469 726 G HA2 -0.359 3.601 3.960 0.001 0.000 0.219 726 G HA3 -0.359 3.601 3.960 0.001 0.000 0.219 726 G C 1.311 176.188 174.900 -0.039 0.000 1.150 726 G CA 1.644 46.722 45.100 -0.037 0.000 0.763 726 G HN 0.254 nan 8.290 nan 0.000 0.561 727 E N 0.224 120.376 120.200 -0.079 0.000 2.107 727 E HA -0.037 4.313 4.350 0.001 0.000 0.191 727 E C 2.643 179.198 176.600 -0.074 0.000 0.982 727 E CA 0.768 57.125 56.400 -0.072 0.000 0.809 727 E CB -0.397 29.248 29.700 -0.090 0.000 0.756 727 E HN 0.188 nan 8.360 nan 0.000 0.459 728 V N 1.436 121.276 119.914 -0.123 0.000 2.231 728 V HA -0.368 3.753 4.120 0.001 0.000 0.250 728 V C 2.299 178.360 176.094 -0.054 0.000 1.058 728 V CA 2.535 64.776 62.300 -0.099 0.000 1.022 728 V CB -0.610 31.133 31.823 -0.133 0.000 0.640 728 V HN 0.290 nan 8.190 nan 0.000 0.445 729 K N -0.399 119.992 120.400 -0.014 0.000 2.044 729 K HA -0.257 4.063 4.320 0.001 0.000 0.210 729 K C 2.414 179.018 176.600 0.006 0.000 1.049 729 K CA 1.959 58.231 56.287 -0.026 0.000 0.927 729 K CB -0.329 32.174 32.500 0.006 0.000 0.713 729 K HN 0.331 nan 8.250 nan 0.000 0.443 730 R N 0.888 121.407 120.500 0.031 0.000 2.091 730 R HA -0.166 4.174 4.340 0.001 0.000 0.238 730 R C 2.279 178.641 176.300 0.104 0.000 1.136 730 R CA 1.462 57.630 56.100 0.112 0.000 0.959 730 R CB 0.069 30.412 30.300 0.072 0.000 0.856 730 R HN 0.187 nan 8.270 nan 0.000 0.437 731 Q N 0.299 120.116 119.800 0.028 0.000 2.119 731 Q HA -0.126 4.214 4.340 0.001 0.000 0.201 731 Q C 2.197 178.188 176.000 -0.016 0.000 0.972 731 Q CA 1.243 57.052 55.803 0.010 0.000 0.847 731 Q CB -0.129 28.613 28.738 0.007 0.000 0.903 731 Q HN 0.468 nan 8.270 nan 0.000 0.433 732 I N 0.091 120.622 120.570 -0.065 0.000 2.226 732 I HA -0.310 3.860 4.170 0.001 0.000 0.245 732 I C 2.326 178.438 176.117 -0.008 0.000 1.100 732 I CA 1.279 62.493 61.300 -0.143 0.000 1.374 732 I CB -0.407 37.397 38.000 -0.327 0.000 1.057 732 I HN 0.131 nan 8.210 nan 0.000 0.413 733 Y N 1.545 121.797 120.300 -0.079 0.000 2.097 733 Y HA -0.245 4.306 4.550 0.001 0.000 0.282 733 Y C 2.398 178.331 175.900 0.054 0.000 1.152 733 Y CA 1.534 59.623 58.100 -0.017 0.000 1.136 733 Y CB -0.894 37.547 38.460 -0.031 0.000 0.975 733 Y HN -0.093 nan 8.280 nan 0.000 0.498 734 V N 0.905 120.719 119.914 -0.168 0.000 2.324 734 V HA -0.362 3.758 4.120 0.001 0.000 0.250 734 V C 2.768 178.860 176.094 -0.004 0.000 1.060 734 V CA 2.084 64.279 62.300 -0.175 0.000 1.042 734 V CB -1.754 30.012 31.823 -0.094 0.000 0.650 734 V HN 0.589 nan 8.190 nan 0.000 0.450 735 A N -0.190 122.627 122.820 -0.005 0.000 1.873 735 A HA -0.060 4.261 4.320 0.001 0.000 0.215 735 A C 2.445 180.035 177.584 0.011 0.000 1.186 735 A CA 2.005 54.046 52.037 0.008 0.000 0.616 735 A CB -0.856 18.017 19.000 -0.212 0.000 0.823 735 A HN 0.568 nan 8.150 nan 0.000 0.442 736 A N -0.838 121.979 122.820 -0.005 0.000 1.883 736 A HA -0.089 4.231 4.320 0.001 0.000 0.217 736 A C 2.082 179.719 177.584 0.089 0.000 1.186 736 A CA 1.792 53.857 52.037 0.047 0.000 0.624 736 A CB -0.821 18.234 19.000 0.091 0.000 0.822 736 A HN 0.834 nan 8.150 nan 0.000 0.444 737 F N 1.479 121.413 119.950 -0.027 0.000 2.134 737 F HA -0.141 4.387 4.527 0.001 0.000 0.299 737 F C 2.322 178.100 175.800 -0.037 0.000 1.097 737 F CA 2.335 60.306 58.000 -0.048 0.000 1.264 737 F CB -0.860 38.035 39.000 -0.176 0.000 1.001 737 F HN 0.188 nan 8.300 nan 0.000 0.479 738 T N 0.212 114.553 114.554 -0.356 0.000 2.821 738 T HA -0.129 4.222 4.350 0.001 0.000 0.267 738 T C 2.199 176.759 174.700 -0.232 0.000 1.046 738 T CA 1.516 63.373 62.100 -0.405 0.000 1.139 738 T CB -0.607 68.215 68.868 -0.077 0.000 0.871 738 T HN 0.163 nan 8.240 nan 0.000 0.454 739 V N 1.328 121.230 119.914 -0.021 0.000 2.358 739 V HA -0.167 3.953 4.120 0.001 0.000 0.246 739 V C 2.652 178.792 176.094 0.076 0.000 1.047 739 V CA 1.734 64.110 62.300 0.127 0.000 1.035 739 V CB -0.609 31.316 31.823 0.171 0.000 0.658 739 V HN 0.367 nan 8.190 nan 0.000 0.452 740 Q N 0.690 120.474 119.800 -0.026 0.000 2.061 740 Q HA -0.172 4.168 4.340 0.001 0.000 0.204 740 Q C 2.124 178.026 176.000 -0.162 0.000 0.984 740 Q CA 2.417 58.197 55.803 -0.040 0.000 0.846 740 Q CB -0.602 28.137 28.738 0.002 0.000 0.902 740 Q HN 0.582 nan 8.270 nan 0.000 0.421 741 A N 0.252 122.837 122.820 -0.391 0.000 1.933 741 A HA -0.052 4.269 4.320 0.001 0.000 0.218 741 A C 2.301 179.677 177.584 -0.348 0.000 1.175 741 A CA 1.835 53.614 52.037 -0.431 0.000 0.628 741 A CB -1.211 17.328 19.000 -0.769 0.000 0.814 741 A HN 0.547 nan 8.150 nan 0.000 0.444 742 A N -0.008 122.586 122.820 -0.378 0.000 1.883 742 A HA 0.113 4.433 4.320 0.001 0.000 0.217 742 A C 2.524 179.917 177.584 -0.318 0.000 1.186 742 A CA 2.231 53.998 52.037 -0.450 0.000 0.624 742 A CB -1.091 17.419 19.000 -0.818 0.000 0.822 742 A HN 1.103 nan 8.150 nan 0.000 0.444 743 A N -0.170 122.535 122.820 -0.191 0.000 1.908 743 A HA -0.206 4.114 4.320 0.001 0.000 0.218 743 A C 1.865 179.262 177.584 -0.312 0.000 1.181 743 A CA 1.722 53.525 52.037 -0.391 0.000 0.627 743 A CB -0.589 18.313 19.000 -0.163 0.000 0.818 743 A HN 0.651 nan 8.150 nan 0.000 0.445 744 E N -0.577 119.495 120.200 -0.213 0.000 2.338 744 E HA -0.118 4.232 4.350 0.001 0.000 0.197 744 E C 1.986 178.477 176.600 -0.181 0.000 1.007 744 E CA 1.205 57.505 56.400 -0.166 0.000 0.849 744 E CB -0.303 29.327 29.700 -0.117 0.000 0.774 744 E HN 0.872 nan 8.360 nan 0.000 0.506 745 T N -1.185 113.228 114.554 -0.235 0.000 3.007 745 T HA -0.052 4.298 4.350 0.001 0.000 0.270 745 T C 1.662 176.209 174.700 -0.254 0.000 1.107 745 T CA 0.611 62.578 62.100 -0.222 0.000 1.118 745 T CB -0.064 68.667 68.868 -0.229 0.000 0.889 745 T HN 0.108 nan 8.240 nan 0.000 0.506 746 L N 0.853 121.876 121.223 -0.332 0.000 2.554 746 L HA 0.281 4.622 4.340 0.001 0.000 0.225 746 L C 1.058 177.855 176.870 -0.122 0.000 1.104 746 L CA -0.387 54.196 54.840 -0.428 0.000 0.866 746 L CB -0.085 41.596 42.059 -0.630 0.000 1.047 746 L HN 0.142 nan 8.230 nan 0.000 0.468 747 S N 0.575 116.217 115.700 -0.097 0.000 2.569 747 S HA 0.006 4.476 4.470 0.001 0.000 0.274 747 S C 0.301 174.910 174.600 0.016 0.000 1.353 747 S CA -0.351 57.835 58.200 -0.024 0.000 1.023 747 S CB 0.284 63.457 63.200 -0.045 0.000 0.876 747 S HN 0.206 nan 8.310 nan 0.000 0.540 748 E N 0.688 120.906 120.200 0.029 0.000 2.481 748 E HA -0.032 4.319 4.350 0.001 0.000 0.263 748 E C 1.213 177.814 176.600 0.001 0.000 0.992 748 E CA -0.003 56.410 56.400 0.022 0.000 0.938 748 E CB 0.280 29.988 29.700 0.013 0.000 0.933 748 E HN 0.537 nan 8.360 nan 0.000 0.453 749 V N -0.519 119.395 119.914 -0.000 0.000 3.235 749 V HA 0.328 4.448 4.120 0.001 0.000 0.259 749 V C 0.563 176.647 176.094 -0.015 0.000 1.133 749 V CA 1.048 63.340 62.300 -0.013 0.000 1.128 749 V CB -0.428 31.389 31.823 -0.010 0.000 0.757 749 V HN 0.659 nan 8.190 nan 0.000 0.469 750 A N 0.000 122.814 122.820 -0.010 0.000 2.254 750 A HA 0.000 4.320 4.320 0.001 0.000 0.244 750 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 750 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 750 A HN 0.000 nan 8.150 nan 0.000 0.486