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 2vmf_1_A DATA FIRST_RESID 28 DATA SEQUENCE NDTSEVMLLD TGWEFSQSGT EKWMPATVPG TVHQDLISHE LLPNPFYGMN DATA SEQUENCE EKKIQWVENE DWEYRTSFIV SEEQLNRDGI QLIFEGLDTY ADVYLNGSLL DATA SEQUENCE LKADNMFVGY TLPVKSVLRK GENHLYIYFH SPIRQTLPQY ASNGFNYPAD DATA SEQUENCE NDHHEKHLSV FSRKAPYSYG WDWGIRMVTS GVWRPVTLRF YDIATISDYY DATA SEQUENCE VRQLSLTDEN ARLSNELIVN QIVPQKIPAE VRVNVSLNGT TVTEVKQQVT DATA SEQUENCE LQPGINHITL PAEVTNPVRW MPNGWGTPTL YDFSAQIACG XRIVAEQSHR DATA SEQUENCE IGLRTIRVVN EKDKDGESFY FEVNGIPMFA KGANYIPQDA LLPNVTTERY DATA SEQUENCE QTLFRDMKEA NMNMVRIWGG GTYENNLFYD LADENGILVW QDFMFACTPY DATA SEQUENCE PSDPTFLKRV EAEAVYNIRR LRNHASLAMW CGNNEILEAL KYWGFEKKFT DATA SEQUENCE PEVYQGLMHG YDKLFRELLP STVKEFDSDR FYVHSSPYLA NWGRPESWGT DATA SEQUENCE GDSHNWGVWY GKKPFESLDT DLPRFMSEFG FQSFPEMKTI AAFAAPEDYQ DATA SEQUENCE IESEVMNAHQ KSSIGNSLIR TYMERDYIIP ESFEDFVYVG LVLQGQGMRH DATA SEQUENCE GLEAHRRNRP YCMGTLYWQL NDSWPVVSWS SIDYYGNWKA LHYQAKRAFA DATA SEQUENCE PVLINPIQQN DSLSVYLISD RLDTMEQMTL EMKVVDFDGK TLGKKIQVHS DATA SEQUENCE LEVPANTSKC VYRAKLDGWL TPEDCRRSFL KLILKDKSGH QVAESVHFFR DATA SEQUENCE KTKDLQLPPT SVSYQMKQTD GKCELTLFSS MLAKDIFIET PLQGARYSDN DATA SEQUENCE FFDLLPGERK KVIITSPRIK KGXELPVNIK HIRETYK 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.509 175.510 -0.001 0.000 1.280 28 N CA 0.000 53.050 53.050 0.000 0.000 0.885 28 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 29 D N -0.965 119.439 120.400 0.006 0.000 2.759 29 D HA 0.331 4.974 4.640 0.005 0.000 0.321 29 D C 0.480 176.797 176.300 0.027 0.000 1.267 29 D CA 0.531 54.538 54.000 0.010 0.000 0.933 29 D CB 0.644 41.445 40.800 0.001 0.000 1.431 29 D HN 0.032 nan 8.370 nan 0.000 0.504 30 T N -2.560 112.018 114.554 0.039 0.000 3.148 30 T HA 0.157 4.510 4.350 0.005 0.000 0.253 30 T C 0.904 175.652 174.700 0.081 0.000 1.134 30 T CA 0.462 62.594 62.100 0.052 0.000 1.051 30 T CB -0.802 68.096 68.868 0.050 0.000 0.959 30 T HN 0.597 nan 8.240 nan 0.000 0.525 31 S N 0.835 116.593 115.700 0.097 0.000 2.589 31 S HA 0.218 4.691 4.470 0.005 0.000 0.265 31 S C -0.170 174.510 174.600 0.133 0.000 1.342 31 S CA -0.843 57.446 58.200 0.148 0.000 1.005 31 S CB 0.896 64.179 63.200 0.138 0.000 0.909 31 S HN 0.691 nan 8.310 nan 0.000 0.555 32 E N 0.746 121.065 120.200 0.198 0.000 2.210 32 E HA 0.552 4.905 4.350 0.005 0.000 0.266 32 E C -1.598 175.163 176.600 0.267 0.000 0.883 32 E CA -1.016 55.499 56.400 0.192 0.000 0.761 32 E CB 1.708 31.501 29.700 0.155 0.000 1.156 32 E HN 0.540 nan 8.360 nan 0.000 0.412 33 V N 5.294 125.309 119.914 0.170 0.000 2.435 33 V HA 0.390 4.513 4.120 0.005 0.000 0.290 33 V C 0.047 176.228 176.094 0.144 0.000 1.030 33 V CA -0.580 61.799 62.300 0.132 0.000 0.881 33 V CB 1.473 33.328 31.823 0.053 0.000 0.983 33 V HN 0.840 nan 8.190 nan 0.000 0.445 34 M N 5.089 124.776 119.600 0.146 0.000 2.149 34 M HA 0.515 4.997 4.480 0.005 0.000 0.342 34 M C -0.959 175.343 176.300 0.004 0.000 1.068 34 M CA -0.432 54.930 55.300 0.103 0.000 0.991 34 M CB 1.518 34.221 32.600 0.172 0.000 1.596 34 M HN 0.460 nan 8.290 nan 0.000 0.439 35 L N 5.366 126.600 121.223 0.019 0.000 2.315 35 L HA 0.286 4.629 4.340 0.005 0.000 0.283 35 L C -0.263 176.625 176.870 0.031 0.000 1.089 35 L CA -0.274 54.577 54.840 0.017 0.000 0.833 35 L CB 0.195 42.278 42.059 0.040 0.000 1.170 35 L HN 0.640 nan 8.230 nan 0.000 0.442 36 L N 4.707 125.946 121.223 0.027 0.000 2.423 36 L HA 0.111 4.454 4.340 0.005 0.000 0.249 36 L C 0.192 177.307 176.870 0.408 0.000 1.276 36 L CA -0.040 54.876 54.840 0.125 0.000 1.199 36 L CB -0.452 41.627 42.059 0.033 0.000 1.407 36 L HN 0.705 nan 8.230 nan 0.000 0.410 37 D N -1.366 119.218 120.400 0.307 0.000 2.540 37 D HA 0.064 4.707 4.640 0.005 0.000 0.229 37 D C 0.356 176.856 176.300 0.333 0.000 1.250 37 D CA -0.093 54.093 54.000 0.310 0.000 0.817 37 D CB 0.469 41.361 40.800 0.154 0.000 1.060 37 D HN 0.290 nan 8.370 nan 0.000 0.508 38 T N -4.858 109.901 114.554 0.341 0.000 2.883 38 T HA 0.560 4.913 4.350 0.005 0.000 0.296 38 T C 0.885 175.735 174.700 0.249 0.000 1.117 38 T CA -0.398 61.877 62.100 0.292 0.000 1.006 38 T CB 1.667 70.642 68.868 0.179 0.000 1.191 38 T HN 0.410 nan 8.240 nan 0.000 0.508 39 G N -0.130 108.814 108.800 0.240 0.000 2.147 39 G HA2 -0.206 3.757 3.960 0.005 0.000 0.244 39 G HA3 -0.206 3.757 3.960 0.005 0.000 0.244 39 G C -0.260 174.743 174.900 0.171 0.000 1.005 39 G CA -0.208 44.989 45.100 0.161 0.000 0.713 39 G HN 0.776 nan 8.290 nan 0.000 0.515 40 W N 0.486 121.918 121.300 0.220 0.000 2.313 40 W HA 0.651 5.314 4.660 0.005 0.000 0.328 40 W C 0.757 177.467 176.519 0.318 0.000 1.197 40 W CA -0.424 57.092 57.345 0.285 0.000 1.235 40 W CB 0.765 30.429 29.460 0.340 0.000 1.158 40 W HN 0.210 nan 8.180 nan 0.000 0.578 41 E N 1.903 122.461 120.200 0.598 0.000 2.336 41 E HA 0.590 4.943 4.350 0.005 0.000 0.267 41 E C -1.224 175.771 176.600 0.658 0.000 0.906 41 E CA -1.143 55.605 56.400 0.580 0.000 0.781 41 E CB 2.218 32.195 29.700 0.462 0.000 1.261 41 E HN 0.324 nan 8.360 nan 0.000 0.436 42 F N -1.100 118.977 119.950 0.212 0.000 2.620 42 F HA 0.827 5.357 4.527 0.005 0.000 0.320 42 F C -0.769 174.803 175.800 -0.379 0.000 1.069 42 F CA -0.811 57.021 58.000 -0.281 0.000 0.953 42 F CB 2.110 40.587 39.000 -0.871 0.000 1.322 42 F HN 0.337 nan 8.300 nan 0.000 0.479 43 S N 1.321 116.501 115.700 -0.867 0.000 2.543 43 S HA 0.220 4.693 4.470 0.005 0.000 0.271 43 S C -1.611 172.673 174.600 -0.527 0.000 1.148 43 S CA -0.709 56.853 58.200 -1.063 0.000 0.914 43 S CB 1.616 63.619 63.200 -1.995 0.000 1.096 43 S HN 1.026 nan 8.310 nan 0.000 0.471 44 Q N 3.158 122.686 119.800 -0.453 0.000 2.271 44 Q HA 0.252 4.595 4.340 0.005 0.000 0.273 44 Q C -0.489 175.154 176.000 -0.596 0.000 1.051 44 Q CA -0.027 55.311 55.803 -0.776 0.000 0.901 44 Q CB 0.401 28.742 28.738 -0.660 0.000 1.174 44 Q HN 0.698 nan 8.270 nan 0.000 0.385 45 S N 2.942 118.289 115.700 -0.589 0.000 2.546 45 S HA 0.261 4.734 4.470 0.005 0.000 0.290 45 S C 1.029 175.496 174.600 -0.223 0.000 1.290 45 S CA 0.383 58.389 58.200 -0.324 0.000 1.069 45 S CB 0.711 63.766 63.200 -0.241 0.000 0.846 45 S HN 1.023 nan 8.310 nan 0.000 0.495 46 G N 2.092 110.817 108.800 -0.126 0.000 2.232 46 G HA2 -0.321 3.642 3.960 0.005 0.000 0.226 46 G HA3 -0.321 3.642 3.960 0.005 0.000 0.226 46 G C 0.908 175.743 174.900 -0.108 0.000 0.996 46 G CA 0.667 45.716 45.100 -0.085 0.000 0.626 46 G HN 0.959 nan 8.290 nan 0.000 0.509 47 T N -2.008 112.440 114.554 -0.177 0.000 3.051 47 T HA 0.373 4.726 4.350 0.005 0.000 0.255 47 T C 1.202 175.822 174.700 -0.134 0.000 1.085 47 T CA 1.345 63.346 62.100 -0.164 0.000 1.109 47 T CB -0.057 68.683 68.868 -0.212 0.000 0.921 47 T HN 0.839 nan 8.240 nan 0.000 0.488 48 E N -0.037 120.073 120.200 -0.150 0.000 3.547 48 E HA -0.220 4.133 4.350 0.005 0.000 0.300 48 E C 0.126 176.697 176.600 -0.050 0.000 0.857 48 E CA 0.935 57.313 56.400 -0.037 0.000 1.039 48 E CB -1.230 28.508 29.700 0.063 0.000 1.524 48 E HN 0.704 nan 8.360 nan 0.000 0.457 49 K N 0.551 120.813 120.400 -0.231 0.000 2.201 49 K HA 0.376 4.699 4.320 0.005 0.000 0.278 49 K C -1.096 175.251 176.600 -0.421 0.000 1.027 49 K CA -0.467 55.710 56.287 -0.184 0.000 0.909 49 K CB 0.698 33.105 32.500 -0.154 0.000 1.062 49 K HN 0.013 nan 8.250 nan 0.000 0.465 50 W N 4.882 126.093 121.300 -0.149 0.000 2.736 50 W HA 0.501 5.164 4.660 0.005 0.000 0.335 50 W C -0.507 175.889 176.519 -0.205 0.000 1.059 50 W CA -0.714 56.521 57.345 -0.183 0.000 1.226 50 W CB 1.734 31.149 29.460 -0.076 0.000 1.416 50 W HN 0.330 nan 8.180 nan 0.000 0.505 51 M N 3.029 122.615 119.600 -0.023 0.000 2.569 51 M HA 0.391 4.874 4.480 0.005 0.000 0.279 51 M C -2.665 173.798 176.300 0.271 0.000 1.253 51 M CA -2.112 53.165 55.300 -0.037 0.000 0.867 51 M CB 2.075 34.439 32.600 -0.393 0.000 1.727 51 M HN -0.043 nan 8.290 nan 0.000 0.467 52 P HA 0.288 nan 4.420 nan 0.000 0.269 52 P C -1.279 176.403 177.300 0.637 0.000 1.209 52 P CA -0.051 63.330 63.100 0.469 0.000 0.776 52 P CB 0.499 32.431 31.700 0.386 0.000 0.876 53 A N 1.994 125.128 122.820 0.524 0.000 2.435 53 A HA 0.788 5.111 4.320 0.005 0.000 0.296 53 A C -0.740 177.013 177.584 0.282 0.000 1.147 53 A CA -0.422 51.846 52.037 0.384 0.000 0.775 53 A CB 1.018 20.304 19.000 0.476 0.000 1.340 53 A HN 0.414 nan 8.150 nan 0.000 0.427 54 T N 0.719 115.349 114.554 0.127 0.000 2.792 54 T HA 0.594 4.947 4.350 0.005 0.000 0.280 54 T C -0.984 173.694 174.700 -0.036 0.000 0.990 54 T CA -0.305 61.840 62.100 0.076 0.000 0.960 54 T CB 1.178 70.065 68.868 0.031 0.000 0.939 54 T HN 0.576 nan 8.240 nan 0.000 0.439 55 V N 5.284 125.150 119.914 -0.080 0.000 2.638 55 V HA 0.423 4.546 4.120 0.005 0.000 0.306 55 V C -2.352 173.664 176.094 -0.129 0.000 1.052 55 V CA -2.139 59.991 62.300 -0.283 0.000 0.885 55 V CB 2.019 33.314 31.823 -0.881 0.000 0.999 55 V HN 0.681 nan 8.190 nan 0.000 0.424 56 P HA 0.486 nan 4.420 nan 0.000 0.268 56 P C 0.196 177.429 177.300 -0.111 0.000 1.205 56 P CA 0.471 63.490 63.100 -0.134 0.000 0.771 56 P CB 0.867 32.528 31.700 -0.065 0.000 0.858 57 G N 0.446 109.153 108.800 -0.156 0.000 2.500 57 G HA2 0.633 4.596 3.960 0.005 0.000 0.299 57 G HA3 0.633 4.596 3.960 0.005 0.000 0.299 57 G C -1.444 173.334 174.900 -0.204 0.000 1.242 57 G CA -0.302 44.715 45.100 -0.139 0.000 0.859 57 G HN 0.636 nan 8.290 nan 0.000 0.481 58 T N -2.816 111.597 114.554 -0.235 0.000 2.883 58 T HA 0.547 4.900 4.350 0.005 0.000 0.301 58 T C 0.855 175.345 174.700 -0.349 0.000 1.158 58 T CA 0.075 62.000 62.100 -0.291 0.000 1.007 58 T CB 1.526 70.275 68.868 -0.199 0.000 1.186 58 T HN 0.733 nan 8.240 nan 0.000 0.499 59 V N 0.778 120.431 119.914 -0.435 0.000 2.343 59 V HA -0.158 3.965 4.120 0.005 0.000 0.247 59 V C 2.436 178.122 176.094 -0.680 0.000 1.051 59 V CA 2.034 63.944 62.300 -0.651 0.000 1.036 59 V CB -1.216 29.995 31.823 -1.021 0.000 0.654 59 V HN 0.963 nan 8.190 nan 0.000 0.451 60 H N -0.402 118.340 119.070 -0.546 0.000 2.319 60 H HA -0.200 4.359 4.556 0.005 0.000 0.299 60 H C 2.332 177.465 175.328 -0.326 0.000 1.092 60 H CA 2.049 57.840 56.048 -0.428 0.000 1.302 60 H CB -0.218 29.322 29.762 -0.370 0.000 1.373 60 H HN 0.344 nan 8.280 nan 0.000 0.497 61 Q N 0.747 120.444 119.800 -0.171 0.000 2.124 61 Q HA -0.135 4.208 4.340 0.005 0.000 0.202 61 Q C 1.323 177.200 176.000 -0.205 0.000 0.977 61 Q CA 1.683 57.390 55.803 -0.161 0.000 0.850 61 Q CB -0.170 28.491 28.738 -0.128 0.000 0.901 61 Q HN 0.434 nan 8.270 nan 0.000 0.429 62 D N -0.439 119.754 120.400 -0.345 0.000 2.144 62 D HA -0.121 4.522 4.640 0.005 0.000 0.199 62 D C 1.854 178.044 176.300 -0.184 0.000 0.984 62 D CA 0.933 54.659 54.000 -0.457 0.000 0.834 62 D CB -0.062 40.042 40.800 -1.159 0.000 0.955 62 D HN 0.308 nan 8.370 nan 0.000 0.465 63 L N 0.316 121.439 121.223 -0.166 0.000 2.056 63 L HA -0.113 4.230 4.340 0.005 0.000 0.207 63 L C 2.511 179.434 176.870 0.089 0.000 1.078 63 L CA 0.586 55.491 54.840 0.108 0.000 0.749 63 L CB -0.255 41.790 42.059 -0.023 0.000 0.901 63 L HN -0.017 nan 8.230 nan 0.000 0.433 64 I N -0.156 120.402 120.570 -0.020 0.000 2.163 64 I HA -0.347 3.826 4.170 0.005 0.000 0.243 64 I C 2.745 178.852 176.117 -0.016 0.000 1.085 64 I CA 1.778 63.072 61.300 -0.011 0.000 1.347 64 I CB -0.361 37.605 38.000 -0.056 0.000 1.044 64 I HN 0.346 nan 8.210 nan 0.000 0.408 65 S N -0.492 115.156 115.700 -0.087 0.000 2.442 65 S HA -0.196 4.277 4.470 0.005 0.000 0.236 65 S C 1.555 176.003 174.600 -0.254 0.000 1.007 65 S CA 1.102 59.193 58.200 -0.182 0.000 0.965 65 S CB -0.482 62.552 63.200 -0.277 0.000 0.773 65 S HN 0.493 nan 8.310 nan 0.000 0.504 66 H N 1.267 120.406 119.070 0.114 0.000 2.505 66 H HA 0.324 4.883 4.556 0.005 0.000 0.286 66 H C -0.049 175.347 175.328 0.113 0.000 1.072 66 H CA 0.279 56.407 56.048 0.133 0.000 1.141 66 H CB -0.189 29.687 29.762 0.191 0.000 1.550 66 H HN 0.598 nan 8.280 nan 0.000 0.547 67 E N 0.656 120.952 120.200 0.160 0.000 2.440 67 E HA -0.217 4.136 4.350 0.005 0.000 0.246 67 E C 0.440 177.136 176.600 0.161 0.000 1.165 67 E CA 0.155 56.634 56.400 0.131 0.000 0.726 67 E CB -1.525 28.239 29.700 0.107 0.000 1.271 67 E HN 0.471 nan 8.360 nan 0.000 0.397 68 L N -0.291 121.055 121.223 0.205 0.000 2.607 68 L HA 0.287 4.630 4.340 0.005 0.000 0.228 68 L C 0.633 177.673 176.870 0.284 0.000 1.123 68 L CA 0.340 55.328 54.840 0.247 0.000 0.890 68 L CB 0.383 42.629 42.059 0.311 0.000 1.103 68 L HN 0.127 nan 8.230 nan 0.000 0.468 69 L N -0.131 121.213 121.223 0.202 0.000 2.466 69 L HA 0.472 4.815 4.340 0.005 0.000 0.258 69 L C -2.439 174.511 176.870 0.134 0.000 0.973 69 L CA -1.642 53.313 54.840 0.192 0.000 0.826 69 L CB 2.941 45.060 42.059 0.101 0.000 1.372 69 L HN -0.217 nan 8.230 nan 0.000 0.409 70 P HA 0.070 nan 4.420 nan 0.000 0.276 70 P C -0.805 176.557 177.300 0.104 0.000 1.261 70 P CA -0.542 62.631 63.100 0.122 0.000 0.800 70 P CB 0.500 32.290 31.700 0.151 0.000 1.066 71 N N 2.271 121.034 118.700 0.106 0.000 2.347 71 N HA -0.060 4.683 4.740 0.005 0.000 0.278 71 N C -1.207 174.393 175.510 0.150 0.000 1.367 71 N CA -1.124 51.988 53.050 0.103 0.000 0.898 71 N CB -0.226 38.362 38.487 0.169 0.000 1.203 71 N HN 0.206 nan 8.380 nan 0.000 0.491 72 P HA -0.133 nan 4.420 nan 0.000 0.219 72 P C 0.710 178.214 177.300 0.341 0.000 1.146 72 P CA 1.162 64.299 63.100 0.062 0.000 0.808 72 P CB -0.020 31.598 31.700 -0.136 0.000 0.779 73 F N -2.478 117.644 119.950 0.287 0.000 2.789 73 F HA 0.156 4.686 4.527 0.005 0.000 0.300 73 F C 1.255 177.389 175.800 0.558 0.000 1.132 73 F CA -1.188 57.095 58.000 0.471 0.000 1.404 73 F CB -1.476 37.763 39.000 0.397 0.000 1.114 73 F HN -0.116 nan 8.300 nan 0.000 0.584 74 Y N 0.741 121.353 120.300 0.521 0.000 2.304 74 Y HA 0.467 5.020 4.550 0.005 0.000 0.328 74 Y C 1.229 177.394 175.900 0.441 0.000 1.123 74 Y CA 0.280 58.647 58.100 0.444 0.000 1.218 74 Y CB 0.446 39.088 38.460 0.303 0.000 1.207 74 Y HN 0.299 nan 8.280 nan 0.000 0.495 75 G N 4.705 113.379 108.800 -0.209 0.000 2.629 75 G HA2 -0.337 3.626 3.960 0.005 0.000 0.313 75 G HA3 -0.337 3.626 3.960 0.005 0.000 0.313 75 G C 0.557 175.601 174.900 0.239 0.000 1.217 75 G CA 0.725 45.771 45.100 -0.090 0.000 0.994 75 G HN 0.578 nan 8.290 nan 0.000 0.549 76 M N 2.110 121.832 119.600 0.203 0.000 2.419 76 M HA 0.195 4.678 4.480 0.005 0.000 0.252 76 M C 1.618 178.020 176.300 0.170 0.000 1.143 76 M CA 0.016 55.417 55.300 0.169 0.000 0.985 76 M CB -0.393 32.289 32.600 0.136 0.000 1.489 76 M HN 0.426 nan 8.290 nan 0.000 0.484 77 N N 1.108 119.942 118.700 0.223 0.000 2.573 77 N HA -0.151 4.592 4.740 0.005 0.000 0.187 77 N C 1.507 177.103 175.510 0.144 0.000 1.107 77 N CA 0.592 53.764 53.050 0.205 0.000 0.918 77 N CB -0.060 38.580 38.487 0.254 0.000 0.966 77 N HN 0.542 nan 8.380 nan 0.000 0.448 78 E N 1.451 121.712 120.200 0.101 0.000 2.038 78 E HA -0.186 4.167 4.350 0.005 0.000 0.195 78 E C 1.744 178.368 176.600 0.040 0.000 1.000 78 E CA 1.176 57.590 56.400 0.022 0.000 0.803 78 E CB 0.061 29.734 29.700 -0.045 0.000 0.750 78 E HN 0.152 nan 8.360 nan 0.000 0.448 79 K N 0.336 120.772 120.400 0.061 0.000 2.209 79 K HA -0.149 4.174 4.320 0.005 0.000 0.204 79 K C 1.846 178.521 176.600 0.124 0.000 1.048 79 K CA 1.167 57.499 56.287 0.076 0.000 0.940 79 K CB 0.063 32.603 32.500 0.067 0.000 0.729 79 K HN 0.021 nan 8.250 nan 0.000 0.451 80 K N 0.566 121.055 120.400 0.148 0.000 2.486 80 K HA -0.024 4.299 4.320 0.005 0.000 0.194 80 K C 1.661 178.438 176.600 0.295 0.000 1.033 80 K CA 0.709 57.124 56.287 0.214 0.000 1.004 80 K CB 0.130 32.745 32.500 0.191 0.000 0.798 80 K HN 0.378 nan 8.250 nan 0.000 0.495 81 I N -3.311 117.357 120.570 0.163 0.000 4.082 81 I HA 0.071 4.244 4.170 0.005 0.000 0.337 81 I C 1.136 177.169 176.117 -0.140 0.000 1.352 81 I CA -0.193 61.114 61.300 0.012 0.000 1.097 81 I CB 0.379 38.385 38.000 0.011 0.000 1.048 81 I HN -0.155 nan 8.210 nan 0.000 0.393 82 Q N 1.868 121.686 119.800 0.030 0.000 2.224 82 Q HA -0.123 4.220 4.340 0.005 0.000 0.203 82 Q C 1.930 177.967 176.000 0.062 0.000 0.970 82 Q CA 1.892 57.718 55.803 0.038 0.000 0.865 82 Q CB -0.463 28.331 28.738 0.093 0.000 0.922 82 Q HN 0.918 nan 8.270 nan 0.000 0.445 83 W N 0.205 121.559 121.300 0.090 0.000 2.350 83 W HA -0.127 4.536 4.660 0.005 0.000 0.289 83 W C 1.353 177.953 176.519 0.136 0.000 1.215 83 W CA 0.782 58.184 57.345 0.096 0.000 1.236 83 W CB -1.046 28.462 29.460 0.080 0.000 1.130 83 W HN -0.123 nan 8.180 nan 0.000 0.541 84 V N 2.897 122.425 119.914 -0.644 0.000 2.380 84 V HA -0.363 3.760 4.120 0.005 0.000 0.251 84 V C 2.631 178.739 176.094 0.023 0.000 1.063 84 V CA 2.808 64.759 62.300 -0.581 0.000 1.055 84 V CB -1.258 29.893 31.823 -1.121 0.000 0.657 84 V HN 0.384 nan 8.190 nan 0.000 0.455 85 E N 0.514 120.721 120.200 0.012 0.000 2.418 85 E HA -0.172 4.181 4.350 0.005 0.000 0.197 85 E C 1.497 178.185 176.600 0.146 0.000 1.026 85 E CA 1.406 57.858 56.400 0.086 0.000 0.862 85 E CB -0.525 29.186 29.700 0.019 0.000 0.799 85 E HN 0.768 nan 8.360 nan 0.000 0.518 86 N N 0.403 119.209 118.700 0.175 0.000 2.422 86 N HA 0.002 4.745 4.740 0.005 0.000 0.181 86 N C -0.177 175.416 175.510 0.138 0.000 1.080 86 N CA 0.086 53.234 53.050 0.163 0.000 0.893 86 N CB 0.340 38.931 38.487 0.173 0.000 0.973 86 N HN 0.097 nan 8.380 nan 0.000 0.456 87 E N 0.983 121.276 120.200 0.155 0.000 2.248 87 E HA 0.191 4.544 4.350 0.005 0.000 0.272 87 E C -0.743 175.728 176.600 -0.216 0.000 1.008 87 E CA -0.287 56.063 56.400 -0.083 0.000 0.856 87 E CB 0.994 30.526 29.700 -0.281 0.000 1.120 87 E HN 0.062 nan 8.360 nan 0.000 0.397 88 D N 0.563 120.731 120.400 -0.387 0.000 2.294 88 D HA 0.399 5.042 4.640 0.005 0.000 0.250 88 D C -0.553 175.243 176.300 -0.841 0.000 1.058 88 D CA -0.059 53.718 54.000 -0.372 0.000 0.950 88 D CB 0.628 41.274 40.800 -0.256 0.000 1.158 88 D HN 0.224 nan 8.370 nan 0.000 0.453 89 W N 0.260 121.470 121.300 -0.149 0.000 2.957 89 W HA 0.347 5.010 4.660 0.005 0.000 0.336 89 W C -0.131 176.391 176.519 0.004 0.000 1.087 89 W CA -0.730 56.585 57.345 -0.049 0.000 1.235 89 W CB 1.358 30.890 29.460 0.120 0.000 1.399 89 W HN 0.072 nan 8.180 nan 0.000 0.480 90 E N 1.595 121.856 120.200 0.101 0.000 2.227 90 E HA 0.572 4.925 4.350 0.005 0.000 0.268 90 E C -1.666 175.035 176.600 0.170 0.000 0.907 90 E CA -1.285 55.206 56.400 0.152 0.000 0.786 90 E CB 2.526 32.269 29.700 0.073 0.000 1.191 90 E HN 0.353 nan 8.360 nan 0.000 0.411 91 Y N 0.741 121.255 120.300 0.357 0.000 2.442 91 Y HA 0.392 4.946 4.550 0.005 0.000 0.344 91 Y C -0.276 175.853 175.900 0.382 0.000 0.976 91 Y CA -0.950 57.493 58.100 0.572 0.000 1.040 91 Y CB 2.015 40.879 38.460 0.673 0.000 1.228 91 Y HN 0.461 nan 8.280 nan 0.000 0.451 92 R N 0.818 121.616 120.500 0.497 0.000 2.725 92 R HA 0.894 5.237 4.340 0.005 0.000 0.277 92 R C -1.680 174.602 176.300 -0.030 0.000 0.987 92 R CA -0.808 55.346 56.100 0.090 0.000 0.901 92 R CB 2.417 32.567 30.300 -0.250 0.000 1.207 92 R HN 0.582 nan 8.270 nan 0.000 0.463 93 T N 0.309 114.676 114.554 -0.313 0.000 2.868 93 T HA 0.494 4.847 4.350 0.005 0.000 0.306 93 T C -1.234 173.380 174.700 -0.142 0.000 1.224 93 T CA -0.476 61.351 62.100 -0.454 0.000 1.012 93 T CB 2.001 70.088 68.868 -1.301 0.000 1.221 93 T HN 0.589 nan 8.240 nan 0.000 0.499 94 S N 1.695 117.352 115.700 -0.072 0.000 2.532 94 S HA 0.931 5.404 4.470 0.005 0.000 0.301 94 S C -1.338 173.279 174.600 0.027 0.000 1.083 94 S CA -0.637 57.512 58.200 -0.086 0.000 1.025 94 S CB 0.715 63.860 63.200 -0.092 0.000 1.056 94 S HN 0.605 nan 8.310 nan 0.000 0.494 95 F N -0.010 119.849 119.950 -0.151 0.000 2.662 95 F HA 0.719 5.250 4.527 0.005 0.000 0.312 95 F C -1.436 174.316 175.800 -0.080 0.000 1.113 95 F CA -1.348 56.601 58.000 -0.086 0.000 0.951 95 F CB 0.735 39.711 39.000 -0.041 0.000 1.344 95 F HN 0.211 nan 8.300 nan 0.000 0.462 96 I N 2.946 123.584 120.570 0.113 0.000 2.392 96 I HA 0.535 4.708 4.170 0.005 0.000 0.295 96 I C -0.563 175.626 176.117 0.119 0.000 0.985 96 I CA -0.925 60.384 61.300 0.014 0.000 1.221 96 I CB 1.594 39.601 38.000 0.012 0.000 1.366 96 I HN 0.500 nan 8.210 nan 0.000 0.467 97 V N 5.106 125.049 119.914 0.048 0.000 2.540 97 V HA 0.390 4.513 4.120 0.005 0.000 0.302 97 V C 0.342 176.433 176.094 -0.006 0.000 1.035 97 V CA -0.660 61.688 62.300 0.081 0.000 0.873 97 V CB 2.017 33.956 31.823 0.192 0.000 0.992 97 V HN 0.914 nan 8.190 nan 0.000 0.428 98 S N 2.283 117.949 115.700 -0.057 0.000 2.652 98 S HA 0.300 4.773 4.470 0.005 0.000 0.270 98 S C 0.974 175.546 174.600 -0.046 0.000 1.243 98 S CA -0.218 57.947 58.200 -0.059 0.000 0.999 98 S CB 1.345 64.495 63.200 -0.083 0.000 0.973 98 S HN 0.809 nan 8.310 nan 0.000 0.544 99 E N 0.630 120.809 120.200 -0.035 0.000 2.114 99 E HA -0.252 4.101 4.350 0.005 0.000 0.199 99 E C 1.460 178.042 176.600 -0.030 0.000 1.008 99 E CA 1.896 58.282 56.400 -0.024 0.000 0.810 99 E CB -0.122 29.564 29.700 -0.022 0.000 0.739 99 E HN 0.794 nan 8.360 nan 0.000 0.456 100 E N 0.297 120.467 120.200 -0.049 0.000 2.072 100 E HA -0.167 4.186 4.350 0.005 0.000 0.191 100 E C 2.057 178.613 176.600 -0.073 0.000 0.985 100 E CA 1.039 57.406 56.400 -0.055 0.000 0.801 100 E CB -0.112 29.551 29.700 -0.062 0.000 0.750 100 E HN 0.303 nan 8.360 nan 0.000 0.452 101 Q N 0.021 119.741 119.800 -0.134 0.000 2.079 101 Q HA -0.041 4.302 4.340 0.005 0.000 0.200 101 Q C 2.136 178.144 176.000 0.013 0.000 0.974 101 Q CA 0.812 56.491 55.803 -0.206 0.000 0.840 101 Q CB -0.115 28.279 28.738 -0.574 0.000 0.898 101 Q HN 0.275 nan 8.270 nan 0.000 0.430 102 L N 0.908 122.150 121.223 0.032 0.000 2.265 102 L HA -0.154 4.189 4.340 0.005 0.000 0.215 102 L C 1.392 178.286 176.870 0.039 0.000 1.117 102 L CA 0.675 55.557 54.840 0.070 0.000 0.782 102 L CB -0.179 41.907 42.059 0.045 0.000 0.914 102 L HN 0.324 nan 8.230 nan 0.000 0.441 103 N N -0.356 118.352 118.700 0.014 0.000 2.322 103 N HA 0.019 4.762 4.740 0.005 0.000 0.194 103 N C 0.089 175.597 175.510 -0.004 0.000 1.126 103 N CA -0.076 52.975 53.050 0.001 0.000 0.845 103 N CB 0.419 38.902 38.487 -0.007 0.000 0.976 103 N HN 0.178 nan 8.380 nan 0.000 0.475 104 R N 1.294 121.801 120.500 0.012 0.000 2.641 104 R HA 0.037 4.380 4.340 0.005 0.000 0.269 104 R C 0.825 177.077 176.300 -0.081 0.000 1.074 104 R CA -0.129 55.964 56.100 -0.013 0.000 1.133 104 R CB 0.417 30.744 30.300 0.045 0.000 1.029 104 R HN 0.071 nan 8.270 nan 0.000 0.488 105 D N 0.398 120.717 120.400 -0.135 0.000 2.144 105 D HA -0.049 4.594 4.640 0.005 0.000 0.199 105 D C 0.881 177.011 176.300 -0.282 0.000 0.984 105 D CA 1.492 55.395 54.000 -0.163 0.000 0.834 105 D CB 0.147 40.867 40.800 -0.134 0.000 0.955 105 D HN 0.643 nan 8.370 nan 0.000 0.465 106 G N -0.691 107.747 108.800 -0.602 0.000 2.659 106 G HA2 0.639 4.602 3.960 0.005 0.000 0.296 106 G HA3 0.639 4.602 3.960 0.005 0.000 0.296 106 G C -1.236 173.283 174.900 -0.634 0.000 1.369 106 G CA -0.609 44.038 45.100 -0.756 0.000 0.937 106 G HN 0.027 nan 8.290 nan 0.000 0.485 107 I N 0.875 121.308 120.570 -0.229 0.000 2.534 107 I HA 0.274 4.447 4.170 0.005 0.000 0.286 107 I C -0.649 175.449 176.117 -0.031 0.000 1.094 107 I CA -0.734 60.481 61.300 -0.142 0.000 1.055 107 I CB 2.198 40.094 38.000 -0.172 0.000 1.225 107 I HN 0.563 nan 8.210 nan 0.000 0.435 108 Q N 5.701 125.512 119.800 0.018 0.000 2.312 108 Q HA 0.706 5.049 4.340 0.005 0.000 0.263 108 Q C -1.159 174.776 176.000 -0.109 0.000 0.995 108 Q CA -1.021 54.786 55.803 0.007 0.000 0.853 108 Q CB 3.096 31.872 28.738 0.064 0.000 1.300 108 Q HN 0.503 nan 8.270 nan 0.000 0.448 109 L N 3.342 124.516 121.223 -0.082 0.000 2.257 109 L HA 0.471 4.814 4.340 0.005 0.000 0.290 109 L C -1.573 175.206 176.870 -0.150 0.000 1.044 109 L CA -0.404 54.337 54.840 -0.166 0.000 0.810 109 L CB 0.830 42.824 42.059 -0.109 0.000 1.193 109 L HN 0.660 nan 8.230 nan 0.000 0.425 110 I N 5.889 126.314 120.570 -0.242 0.000 2.362 110 I HA 0.347 4.520 4.170 0.005 0.000 0.289 110 I C -0.836 175.109 176.117 -0.286 0.000 0.994 110 I CA -0.002 61.214 61.300 -0.141 0.000 1.158 110 I CB 1.055 39.010 38.000 -0.074 0.000 1.315 110 I HN 0.357 nan 8.210 nan 0.000 0.451 111 F N 4.656 124.655 119.950 0.082 0.000 2.361 111 F HA 0.349 4.879 4.527 0.005 0.000 0.364 111 F C 1.396 177.213 175.800 0.028 0.000 1.120 111 F CA -0.381 57.668 58.000 0.081 0.000 1.102 111 F CB 1.093 40.187 39.000 0.156 0.000 1.183 111 F HN 0.541 nan 8.300 nan 0.000 0.476 112 E N 2.017 122.278 120.200 0.102 0.000 2.358 112 E HA 0.170 4.523 4.350 0.005 0.000 0.195 112 E C 0.733 177.258 176.600 -0.126 0.000 1.010 112 E CA 0.196 56.588 56.400 -0.012 0.000 0.856 112 E CB 0.339 30.002 29.700 -0.062 0.000 0.795 112 E HN 0.751 nan 8.360 nan 0.000 0.504 113 G N 0.532 109.282 108.800 -0.084 0.000 2.717 113 G HA2 0.453 4.416 3.960 0.005 0.000 0.300 113 G HA3 0.453 4.416 3.960 0.005 0.000 0.300 113 G C -1.596 173.440 174.900 0.227 0.000 1.424 113 G CA -0.814 44.232 45.100 -0.090 0.000 1.033 113 G HN -0.037 nan 8.290 nan 0.000 0.577 114 L N 2.046 123.519 121.223 0.416 0.000 2.376 114 L HA 0.469 4.812 4.340 0.005 0.000 0.275 114 L C -1.185 175.896 176.870 0.352 0.000 0.987 114 L CA -0.892 54.185 54.840 0.394 0.000 0.828 114 L CB 2.474 44.631 42.059 0.162 0.000 1.249 114 L HN 0.501 nan 8.230 nan 0.000 0.409 115 D N 1.623 122.191 120.400 0.280 0.000 2.454 115 D HA 0.388 5.031 4.640 0.005 0.000 0.225 115 D C 0.066 176.426 176.300 0.100 0.000 1.081 115 D CA -0.036 53.943 54.000 -0.035 0.000 0.864 115 D CB 1.437 42.040 40.800 -0.327 0.000 1.040 115 D HN 0.520 nan 8.370 nan 0.000 0.517 116 T N 2.233 116.883 114.554 0.160 0.000 3.545 116 T HA 0.064 4.417 4.350 0.005 0.000 0.274 116 T C -0.241 174.368 174.700 -0.151 0.000 0.989 116 T CA 0.053 62.085 62.100 -0.113 0.000 1.129 116 T CB -0.138 68.504 68.868 -0.377 0.000 1.165 116 T HN 0.220 nan 8.240 nan 0.000 0.436 117 Y N 2.713 123.146 120.300 0.221 0.000 2.600 117 Y HA 0.674 5.227 4.550 0.005 0.000 0.351 117 Y C 0.226 176.265 175.900 0.231 0.000 1.042 117 Y CA -1.062 57.164 58.100 0.210 0.000 1.333 117 Y CB 0.094 38.697 38.460 0.239 0.000 1.172 117 Y HN 0.223 nan 8.280 nan 0.000 0.517 118 A N 2.712 125.600 122.820 0.113 0.000 2.335 118 A HA 0.532 4.855 4.320 0.005 0.000 0.304 118 A C -1.132 176.343 177.584 -0.181 0.000 1.118 118 A CA -0.938 50.972 52.037 -0.213 0.000 0.757 118 A CB 0.651 19.295 19.000 -0.593 0.000 1.188 118 A HN 0.488 nan 8.150 nan 0.000 0.460 119 D N 2.175 122.519 120.400 -0.092 0.000 2.317 119 D HA 0.397 5.040 4.640 0.005 0.000 0.234 119 D C -0.388 175.714 176.300 -0.330 0.000 1.112 119 D CA 0.207 54.090 54.000 -0.195 0.000 0.840 119 D CB 1.717 42.498 40.800 -0.031 0.000 1.078 119 D HN 0.172 nan 8.370 nan 0.000 0.486 120 V N 3.833 123.488 119.914 -0.433 0.000 2.394 120 V HA 0.274 4.397 4.120 0.005 0.000 0.282 120 V C -0.680 175.248 176.094 -0.278 0.000 1.031 120 V CA -0.588 61.561 62.300 -0.252 0.000 0.881 120 V CB 0.430 32.098 31.823 -0.258 0.000 0.982 120 V HN 0.352 nan 8.190 nan 0.000 0.451 121 Y N 4.976 125.390 120.300 0.190 0.000 2.350 121 Y HA 0.703 5.256 4.550 0.005 0.000 0.338 121 Y C -0.379 175.655 175.900 0.223 0.000 0.961 121 Y CA -0.894 57.314 58.100 0.181 0.000 1.100 121 Y CB 1.964 40.529 38.460 0.176 0.000 1.179 121 Y HN 0.512 nan 8.280 nan 0.000 0.454 122 L N 4.772 126.188 121.223 0.321 0.000 2.372 122 L HA 0.542 4.885 4.340 0.005 0.000 0.274 122 L C -0.515 176.472 176.870 0.195 0.000 0.988 122 L CA -0.620 54.380 54.840 0.267 0.000 0.833 122 L CB 0.968 43.178 42.059 0.250 0.000 1.236 122 L HN 0.728 nan 8.230 nan 0.000 0.410 123 N N 4.333 123.133 118.700 0.166 0.000 2.725 123 N HA -0.202 4.541 4.740 0.005 0.000 0.251 123 N C 1.004 176.569 175.510 0.092 0.000 1.031 123 N CA 1.389 54.505 53.050 0.110 0.000 0.720 123 N CB -1.210 37.316 38.487 0.066 0.000 0.930 123 N HN 1.270 nan 8.380 nan 0.000 0.543 124 G N -1.836 107.020 108.800 0.093 0.000 2.205 124 G HA2 -0.320 3.643 3.960 0.005 0.000 0.261 124 G HA3 -0.320 3.643 3.960 0.005 0.000 0.261 124 G C 0.084 175.058 174.900 0.123 0.000 0.980 124 G CA 0.756 45.894 45.100 0.063 0.000 0.632 124 G HN 0.964 nan 8.290 nan 0.000 0.533 125 S N -0.172 115.626 115.700 0.163 0.000 2.480 125 S HA 0.632 5.105 4.470 0.005 0.000 0.286 125 S C 0.093 174.826 174.600 0.221 0.000 1.180 125 S CA -0.571 57.727 58.200 0.164 0.000 1.075 125 S CB 1.111 64.380 63.200 0.115 0.000 0.996 125 S HN 1.152 nan 8.310 nan 0.000 0.487 126 L N 7.232 128.560 121.223 0.175 0.000 2.363 126 L HA 0.355 4.698 4.340 0.005 0.000 0.286 126 L C 0.564 177.404 176.870 -0.050 0.000 1.106 126 L CA 0.358 55.178 54.840 -0.033 0.000 0.859 126 L CB -0.224 41.806 42.059 -0.049 0.000 1.223 126 L HN 0.850 nan 8.230 nan 0.000 0.446 127 L N 4.739 125.928 121.223 -0.057 0.000 2.240 127 L HA 0.131 4.474 4.340 0.005 0.000 0.211 127 L C -0.005 176.820 176.870 -0.075 0.000 1.106 127 L CA 0.317 55.147 54.840 -0.016 0.000 0.793 127 L CB -0.156 41.937 42.059 0.056 0.000 0.927 127 L HN 0.579 nan 8.230 nan 0.000 0.446 128 L N -0.646 120.474 121.223 -0.172 0.000 2.703 128 L HA 0.291 4.634 4.340 0.005 0.000 0.257 128 L C -1.518 175.184 176.870 -0.280 0.000 0.923 128 L CA -0.454 54.246 54.840 -0.233 0.000 0.936 128 L CB 1.512 43.377 42.059 -0.324 0.000 1.482 128 L HN -0.122 nan 8.230 nan 0.000 0.432 129 K N 4.454 124.722 120.400 -0.220 0.000 2.419 129 K HA 0.762 5.085 4.320 0.005 0.000 0.244 129 K C -0.277 176.211 176.600 -0.187 0.000 1.045 129 K CA -0.369 55.819 56.287 -0.165 0.000 1.004 129 K CB 1.397 33.852 32.500 -0.075 0.000 1.376 129 K HN 0.714 nan 8.250 nan 0.000 0.460 130 A N 2.400 125.036 122.820 -0.306 0.000 2.407 130 A HA 0.151 4.474 4.320 0.005 0.000 0.248 130 A C 0.250 177.794 177.584 -0.067 0.000 1.082 130 A CA -0.033 51.785 52.037 -0.365 0.000 0.785 130 A CB 0.179 18.884 19.000 -0.491 0.000 1.020 130 A HN 0.822 nan 8.150 nan 0.000 0.489 131 D N -0.109 120.304 120.400 0.022 0.000 2.755 131 D HA 0.070 4.713 4.640 0.005 0.000 0.293 131 D C -0.763 175.470 176.300 -0.111 0.000 1.642 131 D CA -0.283 53.678 54.000 -0.065 0.000 0.825 131 D CB -0.484 40.398 40.800 0.136 0.000 1.303 131 D HN 0.278 nan 8.370 nan 0.000 0.434 132 N N 1.167 119.858 118.700 -0.016 0.000 2.599 132 N HA 0.144 4.887 4.740 0.005 0.000 0.283 132 N C 0.484 175.947 175.510 -0.078 0.000 1.160 132 N CA -0.276 52.740 53.050 -0.058 0.000 0.869 132 N CB 1.593 40.089 38.487 0.014 0.000 1.448 132 N HN 0.035 nan 8.380 nan 0.000 0.535 133 M N 2.543 121.965 119.600 -0.297 0.000 2.195 133 M HA -0.104 4.379 4.480 0.005 0.000 0.260 133 M C -0.017 176.302 176.300 0.031 0.000 1.066 133 M CA 1.911 57.043 55.300 -0.280 0.000 1.089 133 M CB -0.014 32.111 32.600 -0.793 0.000 1.377 133 M HN 0.392 nan 8.290 nan 0.000 0.411 134 F N -0.361 119.718 119.950 0.215 0.000 2.731 134 F HA 0.257 4.787 4.527 0.005 0.000 0.304 134 F C 0.032 175.841 175.800 0.015 0.000 1.133 134 F CA -0.262 57.911 58.000 0.290 0.000 1.380 134 F CB -0.577 38.655 39.000 0.385 0.000 1.079 134 F HN -0.205 nan 8.300 nan 0.000 0.550 135 V N -0.222 119.606 119.914 -0.142 0.000 2.540 135 V HA 0.707 4.830 4.120 0.005 0.000 0.302 135 V C 0.520 175.957 176.094 -1.095 0.000 1.035 135 V CA -1.118 60.687 62.300 -0.824 0.000 0.873 135 V CB 1.508 32.881 31.823 -0.751 0.000 0.992 135 V HN 0.201 nan 8.190 nan 0.000 0.428 136 G N 2.975 110.718 108.800 -1.761 0.000 2.420 136 G HA2 0.551 4.514 3.960 0.005 0.000 0.284 136 G HA3 0.551 4.514 3.960 0.005 0.000 0.284 136 G C -1.500 172.979 174.900 -0.702 0.000 1.177 136 G CA -0.112 44.495 45.100 -0.821 0.000 0.841 136 G HN 0.518 nan 8.290 nan 0.000 0.527 137 Y N -0.285 119.988 120.300 -0.045 0.000 2.409 137 Y HA 0.500 5.053 4.550 0.005 0.000 0.343 137 Y C 0.459 176.420 175.900 0.102 0.000 0.973 137 Y CA -0.677 57.443 58.100 0.034 0.000 1.064 137 Y CB 2.779 41.284 38.460 0.076 0.000 1.207 137 Y HN 0.411 nan 8.280 nan 0.000 0.452 138 T N 5.226 119.911 114.554 0.219 0.000 2.815 138 T HA 0.631 4.984 4.350 0.005 0.000 0.289 138 T C -0.776 174.006 174.700 0.138 0.000 1.000 138 T CA -0.606 61.577 62.100 0.138 0.000 0.958 138 T CB 0.261 69.176 68.868 0.079 0.000 0.944 138 T HN 0.364 nan 8.240 nan 0.000 0.442 139 L N 5.609 126.907 121.223 0.125 0.000 2.356 139 L HA 0.505 4.848 4.340 0.005 0.000 0.277 139 L C -2.365 174.556 176.870 0.086 0.000 0.996 139 L CA -2.510 52.401 54.840 0.120 0.000 0.822 139 L CB 2.305 44.459 42.059 0.159 0.000 1.256 139 L HN 0.326 nan 8.230 nan 0.000 0.413 140 P HA 0.094 nan 4.420 nan 0.000 0.282 140 P C 0.228 177.566 177.300 0.063 0.000 1.262 140 P CA -0.188 62.956 63.100 0.073 0.000 0.773 140 P CB 1.570 33.313 31.700 0.072 0.000 0.879 141 V N 0.926 120.869 119.914 0.049 0.000 3.398 141 V HA 0.175 4.298 4.120 0.005 0.000 0.298 141 V C 1.956 178.082 176.094 0.054 0.000 1.496 141 V CA 0.214 62.550 62.300 0.060 0.000 1.044 141 V CB -0.447 31.423 31.823 0.078 0.000 0.880 141 V HN 0.316 nan 8.190 nan 0.000 0.443 142 K N 2.539 122.958 120.400 0.031 0.000 2.074 142 K HA -0.246 4.077 4.320 0.005 0.000 0.209 142 K C 2.269 178.895 176.600 0.044 0.000 1.048 142 K CA 2.474 58.782 56.287 0.034 0.000 0.926 142 K CB -0.258 32.242 32.500 0.001 0.000 0.713 142 K HN 0.727 nan 8.250 nan 0.000 0.444 143 S N -0.526 115.196 115.700 0.037 0.000 2.453 143 S HA -0.049 4.424 4.470 0.005 0.000 0.231 143 S C 1.773 176.398 174.600 0.042 0.000 1.005 143 S CA 1.010 59.231 58.200 0.035 0.000 0.949 143 S CB 0.224 63.443 63.200 0.031 0.000 0.774 143 S HN 0.166 nan 8.310 nan 0.000 0.510 144 V N 1.063 121.010 119.914 0.054 0.000 3.174 144 V HA 0.344 4.467 4.120 0.005 0.000 0.254 144 V C 0.997 177.128 176.094 0.061 0.000 1.120 144 V CA 0.227 62.564 62.300 0.061 0.000 1.114 144 V CB -0.374 31.497 31.823 0.079 0.000 0.756 144 V HN 0.439 nan 8.190 nan 0.000 0.467 145 L N 0.871 122.135 121.223 0.070 0.000 2.452 145 L HA 0.328 4.671 4.340 0.005 0.000 0.267 145 L C 0.284 177.173 176.870 0.032 0.000 1.188 145 L CA 0.274 55.154 54.840 0.066 0.000 0.821 145 L CB 0.410 42.547 42.059 0.130 0.000 1.102 145 L HN 0.211 nan 8.230 nan 0.000 0.470 146 R N 1.344 121.839 120.500 -0.009 0.000 2.740 146 R HA 0.355 4.698 4.340 0.005 0.000 0.282 146 R C -0.844 175.437 176.300 -0.032 0.000 0.969 146 R CA -1.075 55.013 56.100 -0.021 0.000 0.918 146 R CB 1.904 32.181 30.300 -0.037 0.000 1.175 146 R HN 0.382 nan 8.270 nan 0.000 0.464 147 K N 1.453 121.842 120.400 -0.018 0.000 2.489 147 K HA 0.160 4.483 4.320 0.005 0.000 0.278 147 K C 0.516 177.088 176.600 -0.047 0.000 1.000 147 K CA 1.410 57.683 56.287 -0.023 0.000 1.012 147 K CB 0.245 32.735 32.500 -0.015 0.000 0.903 147 K HN 0.754 nan 8.250 nan 0.000 0.485 148 G N 3.030 111.797 108.800 -0.054 0.000 2.545 148 G HA2 -0.294 3.669 3.960 0.005 0.000 0.240 148 G HA3 -0.294 3.669 3.960 0.005 0.000 0.240 148 G C -0.641 174.173 174.900 -0.142 0.000 1.172 148 G CA 0.082 45.136 45.100 -0.076 0.000 0.949 148 G HN 0.738 nan 8.290 nan 0.000 0.574 149 E N 0.899 120.987 120.200 -0.186 0.000 2.313 149 E HA 0.554 4.907 4.350 0.005 0.000 0.272 149 E C -0.325 175.963 176.600 -0.520 0.000 1.038 149 E CA -0.605 55.590 56.400 -0.341 0.000 0.863 149 E CB 0.440 29.965 29.700 -0.293 0.000 1.060 149 E HN 0.468 nan 8.360 nan 0.000 0.402 150 N N 2.014 120.212 118.700 -0.836 0.000 2.287 150 N HA 0.220 4.963 4.740 0.005 0.000 0.289 150 N C -1.628 173.311 175.510 -0.951 0.000 1.066 150 N CA -0.637 51.886 53.050 -0.878 0.000 0.841 150 N CB 1.366 39.142 38.487 -1.185 0.000 1.599 150 N HN 0.474 nan 8.380 nan 0.000 0.476 151 H N 1.745 120.669 119.070 -0.243 0.000 2.587 151 H HA 0.294 4.853 4.556 0.005 0.000 0.325 151 H C -0.614 174.760 175.328 0.076 0.000 1.012 151 H CA -0.545 55.453 56.048 -0.084 0.000 1.213 151 H CB 2.285 32.027 29.762 -0.034 0.000 1.431 151 H HN 0.335 nan 8.280 nan 0.000 0.492 152 L N 4.568 125.939 121.223 0.246 0.000 2.282 152 L HA 0.326 4.669 4.340 0.005 0.000 0.288 152 L C -1.486 175.614 176.870 0.383 0.000 1.033 152 L CA -0.567 54.478 54.840 0.342 0.000 0.807 152 L CB 0.682 42.957 42.059 0.360 0.000 1.209 152 L HN 0.517 nan 8.230 nan 0.000 0.423 153 Y N 5.178 125.689 120.300 0.351 0.000 2.386 153 Y HA 0.663 5.216 4.550 0.005 0.000 0.334 153 Y C -0.938 175.247 175.900 0.475 0.000 1.002 153 Y CA -0.736 57.608 58.100 0.407 0.000 1.068 153 Y CB 1.570 40.219 38.460 0.315 0.000 1.203 153 Y HN 0.513 nan 8.280 nan 0.000 0.443 154 I N 6.464 127.316 120.570 0.470 0.000 2.418 154 I HA 0.227 4.400 4.170 0.005 0.000 0.287 154 I C -1.455 174.838 176.117 0.293 0.000 1.008 154 I CA -0.923 60.556 61.300 0.299 0.000 1.104 154 I CB 1.693 39.745 38.000 0.086 0.000 1.264 154 I HN 0.568 nan 8.210 nan 0.000 0.438 155 Y N 6.511 126.890 120.300 0.132 0.000 2.353 155 Y HA 0.478 5.031 4.550 0.005 0.000 0.340 155 Y C -1.017 174.787 175.900 -0.159 0.000 0.972 155 Y CA -0.502 57.664 58.100 0.110 0.000 1.157 155 Y CB 0.771 39.337 38.460 0.176 0.000 1.157 155 Y HN 0.358 nan 8.280 nan 0.000 0.495 156 F N 5.473 125.424 119.950 0.001 0.000 2.350 156 F HA 0.255 4.785 4.527 0.005 0.000 0.365 156 F C 0.384 176.225 175.800 0.067 0.000 1.122 156 F CA -0.630 57.443 58.000 0.122 0.000 1.139 156 F CB 0.206 39.319 39.000 0.188 0.000 1.220 156 F HN 0.453 nan 8.300 nan 0.000 0.499 157 H N 1.182 120.536 119.070 0.473 0.000 2.848 157 H HA -0.012 4.547 4.556 0.005 0.000 0.341 157 H C 0.536 176.075 175.328 0.352 0.000 1.060 157 H CA -0.101 56.191 56.048 0.407 0.000 1.444 157 H CB 1.327 31.282 29.762 0.321 0.000 1.446 157 H HN 0.498 nan 8.280 nan 0.000 0.583 158 S N 4.483 120.394 115.700 0.353 0.000 2.544 158 S HA -0.017 4.456 4.470 0.005 0.000 0.290 158 S C -1.241 173.526 174.600 0.278 0.000 1.276 158 S CA -1.189 57.182 58.200 0.285 0.000 1.075 158 S CB 0.567 63.887 63.200 0.200 0.000 0.849 158 S HN 0.516 nan 8.310 nan 0.000 0.494 159 P HA -0.036 nan 4.420 nan 0.000 0.229 159 P C 1.385 178.822 177.300 0.229 0.000 1.160 159 P CA 0.453 63.781 63.100 0.380 0.000 0.777 159 P CB 0.004 31.935 31.700 0.386 0.000 0.814 160 I N 0.237 120.897 120.570 0.150 0.000 2.162 160 I HA -0.111 4.062 4.170 0.005 0.000 0.238 160 I C 2.461 178.606 176.117 0.047 0.000 1.076 160 I CA 1.311 62.661 61.300 0.083 0.000 1.353 160 I CB -1.355 36.675 38.000 0.050 0.000 1.063 160 I HN -0.034 nan 8.210 nan 0.000 0.408 161 R N 0.753 121.292 120.500 0.064 0.000 2.120 161 R HA -0.167 4.176 4.340 0.005 0.000 0.234 161 R C 2.073 178.369 176.300 -0.006 0.000 1.123 161 R CA 0.899 57.026 56.100 0.045 0.000 0.975 161 R CB -0.962 29.388 30.300 0.084 0.000 0.866 161 R HN 0.414 nan 8.270 nan 0.000 0.446 162 Q N 0.570 120.346 119.800 -0.040 0.000 2.170 162 Q HA -0.097 4.246 4.340 0.005 0.000 0.203 162 Q C 1.316 177.179 176.000 -0.229 0.000 0.976 162 Q CA 2.213 57.883 55.803 -0.220 0.000 0.858 162 Q CB -0.018 28.408 28.738 -0.520 0.000 0.907 162 Q HN 0.487 nan 8.270 nan 0.000 0.433 163 T N -3.344 111.135 114.554 -0.124 0.000 3.001 163 T HA 0.209 4.562 4.350 0.005 0.000 0.251 163 T C 1.657 176.294 174.700 -0.104 0.000 1.040 163 T CA -0.057 61.975 62.100 -0.112 0.000 0.985 163 T CB -0.131 68.760 68.868 0.039 0.000 1.011 163 T HN 0.167 nan 8.240 nan 0.000 0.509 164 L N 1.665 122.859 121.223 -0.049 0.000 2.021 164 L HA -0.069 4.274 4.340 0.005 0.000 0.215 164 L C -0.157 176.712 176.870 -0.003 0.000 1.074 164 L CA 1.884 56.723 54.840 -0.002 0.000 0.760 164 L CB -1.533 40.533 42.059 0.011 0.000 0.889 164 L HN 0.273 nan 8.230 nan 0.000 0.433 165 P HA -0.193 nan 4.420 nan 0.000 0.219 165 P C 1.443 178.651 177.300 -0.154 0.000 1.150 165 P CA 1.311 64.362 63.100 -0.082 0.000 0.814 165 P CB 0.019 31.669 31.700 -0.083 0.000 0.787 166 Q N -0.950 118.704 119.800 -0.244 0.000 2.079 166 Q HA -0.205 4.138 4.340 0.005 0.000 0.200 166 Q C 2.301 177.923 176.000 -0.630 0.000 0.974 166 Q CA 1.217 56.758 55.803 -0.436 0.000 0.840 166 Q CB -0.606 27.794 28.738 -0.562 0.000 0.898 166 Q HN 0.140 nan 8.270 nan 0.000 0.430 167 Y N 0.039 119.936 120.300 -0.672 0.000 2.242 167 Y HA -0.142 4.411 4.550 0.005 0.000 0.291 167 Y C 1.943 177.718 175.900 -0.209 0.000 1.137 167 Y CA 1.496 59.346 58.100 -0.416 0.000 1.181 167 Y CB -0.407 37.963 38.460 -0.151 0.000 0.989 167 Y HN 0.199 nan 8.280 nan 0.000 0.527 168 A N -0.273 122.448 122.820 -0.165 0.000 1.930 168 A HA -0.166 4.157 4.320 0.005 0.000 0.217 168 A C 2.408 179.857 177.584 -0.226 0.000 1.175 168 A CA 1.809 53.736 52.037 -0.183 0.000 0.627 168 A CB -1.338 17.638 19.000 -0.041 0.000 0.815 168 A HN 0.583 nan 8.150 nan 0.000 0.443 169 S N -0.166 115.407 115.700 -0.211 0.000 2.507 169 S HA -0.144 4.329 4.470 0.005 0.000 0.235 169 S C 1.499 175.977 174.600 -0.203 0.000 0.988 169 S CA 1.453 59.547 58.200 -0.178 0.000 0.944 169 S CB -0.578 62.531 63.200 -0.151 0.000 0.762 169 S HN 0.594 nan 8.310 nan 0.000 0.526 170 N N 1.064 119.579 118.700 -0.309 0.000 2.395 170 N HA 0.171 4.914 4.740 0.005 0.000 0.175 170 N C 1.348 176.657 175.510 -0.335 0.000 1.029 170 N CA 0.991 53.840 53.050 -0.335 0.000 0.897 170 N CB -0.362 37.891 38.487 -0.389 0.000 0.991 170 N HN 0.554 nan 8.380 nan 0.000 0.441 171 G N -0.598 108.028 108.800 -0.290 0.000 2.180 171 G HA2 -0.269 3.694 3.960 0.005 0.000 0.263 171 G HA3 -0.269 3.694 3.960 0.005 0.000 0.263 171 G C -0.043 174.869 174.900 0.020 0.000 0.989 171 G CA 1.237 46.262 45.100 -0.125 0.000 0.692 171 G HN 0.559 nan 8.290 nan 0.000 0.526 172 F N -2.613 117.262 119.950 -0.125 0.000 2.713 172 F HA 0.724 5.254 4.527 0.005 0.000 0.311 172 F C -1.084 174.722 175.800 0.011 0.000 1.141 172 F CA -2.036 55.950 58.000 -0.023 0.000 0.939 172 F CB 0.831 39.852 39.000 0.036 0.000 1.325 172 F HN -0.004 nan 8.300 nan 0.000 0.453 173 N N 1.310 120.248 118.700 0.397 0.000 2.444 173 N HA 0.314 5.057 4.740 0.005 0.000 0.262 173 N C -1.402 174.444 175.510 0.561 0.000 0.974 173 N CA -0.513 52.806 53.050 0.449 0.000 0.933 173 N CB 0.439 39.146 38.487 0.367 0.000 1.137 173 N HN 0.640 nan 8.380 nan 0.000 0.498 174 Y N 3.071 123.591 120.300 0.368 0.000 2.683 174 Y HA 0.067 4.620 4.550 0.005 0.000 0.340 174 Y C -1.142 174.931 175.900 0.288 0.000 1.245 174 Y CA -0.706 57.546 58.100 0.254 0.000 1.485 174 Y CB 0.583 39.001 38.460 -0.071 0.000 1.328 174 Y HN 0.499 nan 8.280 nan 0.000 0.603 175 P HA 0.157 nan 4.420 nan 0.000 0.214 175 P C -0.916 176.363 177.300 -0.035 0.000 1.807 175 P CA -0.023 63.116 63.100 0.065 0.000 0.921 175 P CB -0.313 31.145 31.700 -0.402 0.000 1.835 176 A N 1.169 123.878 122.820 -0.184 0.000 2.922 176 A HA 0.142 4.465 4.320 0.005 0.000 0.298 176 A C 1.213 178.384 177.584 -0.687 0.000 1.588 176 A CA -0.244 51.578 52.037 -0.360 0.000 1.288 176 A CB -0.462 18.337 19.000 -0.334 0.000 1.130 176 A HN 0.080 nan 8.150 nan 0.000 0.557 177 D N 0.995 121.159 120.400 -0.392 0.000 2.221 177 D HA -0.133 4.510 4.640 0.005 0.000 0.204 177 D C 1.060 177.153 176.300 -0.345 0.000 0.982 177 D CA 1.051 54.864 54.000 -0.311 0.000 0.857 177 D CB 0.153 40.859 40.800 -0.156 0.000 0.934 177 D HN 0.564 nan 8.370 nan 0.000 0.475 178 N N 1.014 119.369 118.700 -0.575 0.000 2.515 178 N HA -0.089 4.654 4.740 0.005 0.000 0.185 178 N C 0.186 175.298 175.510 -0.664 0.000 1.109 178 N CA 0.282 52.841 53.050 -0.818 0.000 0.903 178 N CB 0.258 37.615 38.487 -1.884 0.000 0.969 178 N HN 0.129 nan 8.380 nan 0.000 0.450 179 D N 0.976 121.124 120.400 -0.420 0.000 2.374 179 D HA 0.003 4.646 4.640 0.005 0.000 0.240 179 D C -0.444 175.885 176.300 0.049 0.000 1.229 179 D CA -0.168 53.722 54.000 -0.184 0.000 0.895 179 D CB -0.207 40.497 40.800 -0.161 0.000 1.046 179 D HN 0.264 nan 8.370 nan 0.000 0.498 180 H N 4.195 123.309 119.070 0.073 0.000 3.045 180 H HA 0.157 4.716 4.556 0.005 0.000 0.254 180 H C 0.060 175.496 175.328 0.179 0.000 1.747 180 H CA -0.160 55.935 56.048 0.079 0.000 1.444 180 H CB 0.065 29.832 29.762 0.008 0.000 1.778 180 H HN 0.328 nan 8.280 nan 0.000 0.544 181 H N 0.832 120.033 119.070 0.218 0.000 3.068 181 H HA -0.016 4.543 4.556 0.005 0.000 0.342 181 H C 0.543 175.919 175.328 0.081 0.000 1.284 181 H CA -0.482 55.643 56.048 0.128 0.000 1.181 181 H CB 1.671 31.506 29.762 0.122 0.000 1.898 181 H HN 0.560 nan 8.280 nan 0.000 0.540 182 E N 2.334 122.489 120.200 -0.074 0.000 2.085 182 E HA -0.103 4.250 4.350 0.005 0.000 0.194 182 E C -0.460 176.066 176.600 -0.124 0.000 0.994 182 E CA 1.022 57.380 56.400 -0.071 0.000 0.801 182 E CB 0.255 29.879 29.700 -0.126 0.000 0.743 182 E HN 0.361 nan 8.360 nan 0.000 0.453 183 K N 0.608 121.080 120.400 0.120 0.000 2.240 183 K HA 0.233 4.556 4.320 0.005 0.000 0.271 183 K C -1.159 175.319 176.600 -0.202 0.000 1.018 183 K CA -0.302 55.779 56.287 -0.343 0.000 0.874 183 K CB 1.056 33.129 32.500 -0.713 0.000 1.098 183 K HN 0.203 nan 8.250 nan 0.000 0.458 184 H N 3.539 122.593 119.070 -0.027 0.000 2.982 184 H HA 0.086 4.645 4.556 0.005 0.000 0.261 184 H C 0.741 176.039 175.328 -0.050 0.000 1.603 184 H CA -0.371 55.663 56.048 -0.022 0.000 1.398 184 H CB 0.068 29.843 29.762 0.021 0.000 1.693 184 H HN 0.386 nan 8.280 nan 0.000 0.535 185 L N 1.108 122.338 121.223 0.012 0.000 2.509 185 L HA -0.078 4.264 4.340 0.005 0.000 0.222 185 L C 2.297 179.114 176.870 -0.088 0.000 1.123 185 L CA 0.294 55.202 54.840 0.113 0.000 0.856 185 L CB -0.143 41.958 42.059 0.070 0.000 0.985 185 L HN 0.580 nan 8.230 nan 0.000 0.456 186 S N 0.676 116.045 115.700 -0.553 0.000 2.365 186 S HA -0.216 4.257 4.470 0.005 0.000 0.225 186 S C 1.994 176.353 174.600 -0.402 0.000 1.039 186 S CA 1.505 59.080 58.200 -1.041 0.000 1.033 186 S CB -1.291 61.287 63.200 -1.037 0.000 0.887 186 S HN 0.347 nan 8.310 nan 0.000 0.447 187 V N -1.598 118.039 119.914 -0.462 0.000 2.688 187 V HA -0.030 4.093 4.120 0.005 0.000 0.256 187 V C 2.008 177.815 176.094 -0.478 0.000 1.084 187 V CA 1.433 63.371 62.300 -0.603 0.000 1.103 187 V CB -1.545 29.543 31.823 -1.224 0.000 0.688 187 V HN 0.386 nan 8.190 nan 0.000 0.480 188 F N 1.146 121.027 119.950 -0.116 0.000 2.615 188 F HA 0.285 4.815 4.527 0.005 0.000 0.297 188 F C 1.398 177.355 175.800 0.261 0.000 1.124 188 F CA 0.297 58.290 58.000 -0.012 0.000 1.451 188 F CB -0.282 38.720 39.000 0.003 0.000 1.103 188 F HN 0.098 nan 8.300 nan 0.000 0.569 189 S N 0.637 116.579 115.700 0.403 0.000 2.472 189 S HA 0.437 4.910 4.470 0.005 0.000 0.303 189 S C 0.086 174.878 174.600 0.321 0.000 1.099 189 S CA -0.880 57.568 58.200 0.412 0.000 1.077 189 S CB 1.350 64.797 63.200 0.411 0.000 1.031 189 S HN -0.066 nan 8.310 nan 0.000 0.487 190 R N 2.944 123.572 120.500 0.213 0.000 3.268 190 R HA 0.289 4.632 4.340 0.005 0.000 0.217 190 R C -0.088 176.061 176.300 -0.252 0.000 1.568 190 R CA 0.023 56.198 56.100 0.125 0.000 1.322 190 R CB -1.053 29.316 30.300 0.116 0.000 1.280 190 R HN 0.571 nan 8.270 nan 0.000 0.667 191 K N -0.313 120.004 120.400 -0.138 0.000 2.527 191 K HA 0.478 4.801 4.320 0.005 0.000 0.260 191 K C -0.990 175.636 176.600 0.044 0.000 0.937 191 K CA -0.727 55.378 56.287 -0.303 0.000 0.826 191 K CB 2.063 34.542 32.500 -0.036 0.000 1.359 191 K HN 0.329 nan 8.250 nan 0.000 0.434 192 A N 4.745 127.569 122.820 0.008 0.000 2.572 192 A HA 0.080 4.403 4.320 0.005 0.000 0.256 192 A C -1.981 175.807 177.584 0.340 0.000 1.041 192 A CA -0.564 51.668 52.037 0.325 0.000 0.790 192 A CB -0.352 18.830 19.000 0.303 0.000 0.947 192 A HN 0.625 nan 8.150 nan 0.000 0.518 193 P HA -0.192 nan 4.420 nan 0.000 0.216 193 P C 1.293 178.848 177.300 0.426 0.000 1.153 193 P CA 1.862 65.164 63.100 0.336 0.000 0.848 193 P CB -0.146 31.684 31.700 0.217 0.000 0.787 194 Y N -0.300 120.098 120.300 0.164 0.000 2.483 194 Y HA -0.141 4.412 4.550 0.005 0.000 0.291 194 Y C 2.107 178.080 175.900 0.123 0.000 1.143 194 Y CA 1.014 59.229 58.100 0.192 0.000 1.289 194 Y CB -1.485 37.079 38.460 0.173 0.000 0.983 194 Y HN -0.038 nan 8.280 nan 0.000 0.556 195 S N -0.172 115.107 115.700 -0.702 0.000 2.419 195 S HA -0.274 4.199 4.470 0.005 0.000 0.235 195 S C 1.277 175.591 174.600 -0.476 0.000 1.019 195 S CA 1.138 58.867 58.200 -0.785 0.000 0.982 195 S CB -1.352 61.462 63.200 -0.644 0.000 0.789 195 S HN 0.696 nan 8.310 nan 0.000 0.490 196 Y N 2.646 122.807 120.300 -0.231 0.000 2.529 196 Y HA 0.406 4.959 4.550 0.005 0.000 0.290 196 Y C 1.474 177.223 175.900 -0.253 0.000 1.177 196 Y CA 0.166 58.166 58.100 -0.166 0.000 1.305 196 Y CB -0.372 38.041 38.460 -0.079 0.000 1.047 196 Y HN 0.599 nan 8.280 nan 0.000 0.522 197 G N -0.881 107.802 108.800 -0.195 0.000 2.640 197 G HA2 -0.067 3.896 3.960 0.005 0.000 0.686 197 G HA3 -0.067 3.896 3.960 0.005 0.000 0.686 197 G C -1.323 173.356 174.900 -0.368 0.000 1.229 197 G CA -1.005 43.825 45.100 -0.450 0.000 0.796 197 G HN 0.157 nan 8.290 nan 0.000 0.654 198 W N 0.597 121.543 121.300 -0.589 0.000 2.961 198 W HA 0.380 5.043 4.660 0.005 0.000 0.368 198 W C 0.023 176.331 176.519 -0.352 0.000 1.213 198 W CA 0.283 57.265 57.345 -0.605 0.000 1.173 198 W CB 1.645 30.426 29.460 -1.131 0.000 1.487 198 W HN 0.769 nan 8.180 nan 0.000 0.585 199 D N -0.607 119.608 120.400 -0.307 0.000 2.336 199 D HA -0.054 4.588 4.640 0.005 0.000 0.229 199 D C 0.854 177.395 176.300 0.403 0.000 1.061 199 D CA 0.450 54.494 54.000 0.074 0.000 0.875 199 D CB -0.611 40.248 40.800 0.098 0.000 0.904 199 D HN 0.439 nan 8.370 nan 0.000 0.525 200 W N -1.372 120.282 121.300 0.589 0.000 2.055 200 W HA 0.574 5.237 4.660 0.005 0.000 0.293 200 W C -0.195 176.661 176.519 0.561 0.000 0.886 200 W CA -0.842 56.809 57.345 0.510 0.000 1.384 200 W CB 0.099 29.876 29.460 0.528 0.000 1.068 200 W HN -0.008 nan 8.180 nan 0.000 0.513 201 G N 1.791 110.840 108.800 0.415 0.000 2.533 201 G HA2 0.569 4.532 3.960 0.005 0.000 0.304 201 G HA3 0.569 4.532 3.960 0.005 0.000 0.304 201 G C -1.443 173.364 174.900 -0.155 0.000 1.263 201 G CA -0.946 44.322 45.100 0.280 0.000 0.964 201 G HN 0.106 nan 8.290 nan 0.000 0.479 202 I N 0.238 120.266 120.570 -0.903 0.000 2.581 202 I HA 0.429 4.602 4.170 0.005 0.000 0.288 202 I C 0.654 176.478 176.117 -0.488 0.000 1.047 202 I CA -0.976 59.760 61.300 -0.939 0.000 1.374 202 I CB 0.886 37.886 38.000 -1.666 0.000 1.423 202 I HN 0.430 nan 8.210 nan 0.000 0.549 203 R N 8.271 128.592 120.500 -0.299 0.000 2.242 203 R HA 0.364 4.707 4.340 0.005 0.000 0.334 203 R C -1.247 174.863 176.300 -0.318 0.000 1.071 203 R CA 0.001 55.954 56.100 -0.245 0.000 0.922 203 R CB 0.312 30.566 30.300 -0.078 0.000 1.023 203 R HN 0.673 nan 8.270 nan 0.000 0.458 204 M N 5.626 124.966 119.600 -0.432 0.000 1.956 204 M HA 0.168 4.651 4.480 0.005 0.000 0.256 204 M C -1.057 174.893 176.300 -0.583 0.000 0.869 204 M CA -0.630 54.337 55.300 -0.555 0.000 0.886 204 M CB 2.100 34.301 32.600 -0.664 0.000 1.739 204 M HN 0.215 nan 8.290 nan 0.000 0.381 205 V N 1.700 121.345 119.914 -0.448 0.000 2.276 205 V HA 0.126 4.249 4.120 0.005 0.000 0.249 205 V C 0.690 176.617 176.094 -0.277 0.000 1.160 205 V CA 0.301 62.312 62.300 -0.483 0.000 1.042 205 V CB 0.392 31.891 31.823 -0.540 0.000 1.224 205 V HN 0.729 nan 8.190 nan 0.000 0.496 206 T N 3.204 117.556 114.554 -0.337 0.000 2.849 206 T HA 0.642 4.995 4.350 0.005 0.000 0.276 206 T C 0.117 174.672 174.700 -0.242 0.000 0.971 206 T CA -0.185 61.789 62.100 -0.209 0.000 0.949 206 T CB 1.280 69.977 68.868 -0.285 0.000 1.093 206 T HN 0.635 nan 8.240 nan 0.000 0.545 207 S N -1.097 114.421 115.700 -0.304 0.000 2.607 207 S HA 0.877 5.350 4.470 0.005 0.000 0.273 207 S C -0.241 173.935 174.600 -0.706 0.000 1.148 207 S CA -0.211 57.736 58.200 -0.422 0.000 0.833 207 S CB 1.686 64.695 63.200 -0.319 0.000 1.130 207 S HN 1.340 nan 8.310 nan 0.000 0.470 208 G N -0.392 107.735 108.800 -1.121 0.000 2.359 208 G HA2 0.207 4.170 3.960 0.005 0.000 0.303 208 G HA3 0.207 4.170 3.960 0.005 0.000 0.303 208 G C -1.745 172.793 174.900 -0.604 0.000 1.293 208 G CA -0.671 43.581 45.100 -1.413 0.000 0.964 208 G HN 0.938 nan 8.290 nan 0.000 0.531 209 V N 2.376 122.013 119.914 -0.462 0.000 2.352 209 V HA 0.236 4.359 4.120 0.005 0.000 0.253 209 V C 1.401 177.458 176.094 -0.061 0.000 1.083 209 V CA 0.426 62.662 62.300 -0.105 0.000 0.993 209 V CB -0.037 31.627 31.823 -0.265 0.000 1.111 209 V HN 0.813 nan 8.190 nan 0.000 0.490 210 W N 5.608 126.835 121.300 -0.122 0.000 3.077 210 W HA 0.313 4.976 4.660 0.005 0.000 0.266 210 W C 0.345 176.861 176.519 -0.006 0.000 1.300 210 W CA -0.540 56.754 57.345 -0.085 0.000 1.586 210 W CB 0.169 29.587 29.460 -0.069 0.000 1.103 210 W HN 0.359 nan 8.180 nan 0.000 0.652 211 R N 0.026 120.272 120.500 -0.424 0.000 2.922 211 R HA 0.446 4.789 4.340 0.005 0.000 0.256 211 R C -2.593 173.608 176.300 -0.164 0.000 1.138 211 R CA -2.084 53.788 56.100 -0.381 0.000 0.995 211 R CB 0.982 30.910 30.300 -0.621 0.000 1.226 211 R HN -0.401 nan 8.270 nan 0.000 0.481 212 P HA 0.065 nan 4.420 nan 0.000 0.272 212 P C -1.009 176.265 177.300 -0.044 0.000 1.223 212 P CA -0.211 62.854 63.100 -0.058 0.000 0.784 212 P CB 0.596 32.269 31.700 -0.045 0.000 0.923 213 V N 2.159 122.050 119.914 -0.039 0.000 2.384 213 V HA 0.533 4.656 4.120 0.005 0.000 0.287 213 V C 0.340 176.351 176.094 -0.137 0.000 1.020 213 V CA -0.349 61.868 62.300 -0.140 0.000 0.850 213 V CB 1.168 32.968 31.823 -0.038 0.000 0.987 213 V HN 0.694 nan 8.190 nan 0.000 0.436 214 T N 2.639 117.067 114.554 -0.210 0.000 2.907 214 T HA 0.799 5.152 4.350 0.005 0.000 0.292 214 T C -1.107 173.447 174.700 -0.244 0.000 1.043 214 T CA -0.766 61.232 62.100 -0.170 0.000 1.003 214 T CB 2.061 70.865 68.868 -0.106 0.000 1.084 214 T HN 0.364 nan 8.240 nan 0.000 0.483 215 L N 1.712 122.789 121.223 -0.244 0.000 2.343 215 L HA 0.631 4.974 4.340 0.005 0.000 0.278 215 L C -0.171 176.484 176.870 -0.358 0.000 0.996 215 L CA -0.679 53.944 54.840 -0.361 0.000 0.831 215 L CB 1.472 43.258 42.059 -0.454 0.000 1.232 215 L HN 0.823 nan 8.230 nan 0.000 0.413 216 R N 4.344 124.642 120.500 -0.337 0.000 2.445 216 R HA 0.543 4.886 4.340 0.005 0.000 0.308 216 R C -1.715 174.474 176.300 -0.185 0.000 0.961 216 R CA -0.500 55.504 56.100 -0.160 0.000 0.862 216 R CB 0.906 31.192 30.300 -0.024 0.000 1.144 216 R HN 0.509 nan 8.270 nan 0.000 0.447 217 F N 5.631 125.671 119.950 0.150 0.000 2.426 217 F HA 0.405 4.935 4.527 0.005 0.000 0.348 217 F C -0.395 175.493 175.800 0.145 0.000 1.124 217 F CA -0.597 57.460 58.000 0.095 0.000 1.008 217 F CB 1.167 40.189 39.000 0.037 0.000 1.139 217 F HN 0.473 nan 8.300 nan 0.000 0.452 218 Y N -0.595 119.791 120.300 0.144 0.000 2.655 218 Y HA 0.681 5.234 4.550 0.005 0.000 0.336 218 Y C -1.743 174.194 175.900 0.061 0.000 1.154 218 Y CA -1.582 56.567 58.100 0.082 0.000 1.055 218 Y CB 1.283 39.766 38.460 0.039 0.000 1.295 218 Y HN 0.344 nan 8.280 nan 0.000 0.465 219 D N 2.392 122.903 120.400 0.184 0.000 2.350 219 D HA 0.451 5.094 4.640 0.005 0.000 0.245 219 D C 0.582 176.994 176.300 0.186 0.000 1.036 219 D CA -0.099 53.951 54.000 0.084 0.000 0.848 219 D CB 2.143 42.977 40.800 0.056 0.000 1.307 219 D HN 0.751 nan 8.370 nan 0.000 0.469 220 I N -0.613 120.023 120.570 0.111 0.000 4.724 220 I HA -0.357 3.816 4.170 0.005 0.000 0.043 220 I C 0.462 176.695 176.117 0.192 0.000 0.628 220 I CA 1.565 62.934 61.300 0.115 0.000 0.705 220 I CB -1.944 36.103 38.000 0.077 0.000 0.661 220 I HN 0.658 nan 8.210 nan 0.000 0.155 221 A N 0.146 123.119 122.820 0.256 0.000 2.586 221 A HA 0.765 5.088 4.320 0.005 0.000 0.290 221 A C -0.238 177.309 177.584 -0.062 0.000 1.086 221 A CA 0.397 52.523 52.037 0.148 0.000 0.665 221 A CB 1.517 20.544 19.000 0.045 0.000 1.279 221 A HN 0.745 nan 8.150 nan 0.000 0.423 222 T N -1.056 113.364 114.554 -0.224 0.000 2.908 222 T HA 0.707 5.060 4.350 0.005 0.000 0.290 222 T C -0.363 174.239 174.700 -0.164 0.000 1.034 222 T CA -0.488 61.417 62.100 -0.325 0.000 1.010 222 T CB 0.938 69.489 68.868 -0.529 0.000 1.068 222 T HN 0.571 nan 8.240 nan 0.000 0.481 223 I N 2.911 123.399 120.570 -0.137 0.000 2.421 223 I HA 0.117 4.290 4.170 0.005 0.000 0.291 223 I C 1.356 177.433 176.117 -0.066 0.000 1.089 223 I CA -0.248 61.000 61.300 -0.086 0.000 1.354 223 I CB 0.969 38.921 38.000 -0.079 0.000 1.413 223 I HN 0.771 nan 8.210 nan 0.000 0.513 224 S N 3.571 119.242 115.700 -0.048 0.000 2.387 224 S HA -0.089 4.383 4.470 0.005 0.000 0.226 224 S C 0.304 174.909 174.600 0.007 0.000 1.026 224 S CA 1.002 59.184 58.200 -0.029 0.000 0.972 224 S CB -0.058 63.126 63.200 -0.028 0.000 0.814 224 S HN 0.803 nan 8.310 nan 0.000 0.477 225 D N -1.467 118.961 120.400 0.046 0.000 2.837 225 D HA 0.354 4.997 4.640 0.005 0.000 0.220 225 D C -1.940 174.490 176.300 0.216 0.000 1.236 225 D CA -0.565 53.496 54.000 0.101 0.000 0.838 225 D CB 1.096 41.941 40.800 0.075 0.000 1.647 225 D HN -0.003 nan 8.370 nan 0.000 0.486 226 Y N 4.031 124.407 120.300 0.127 0.000 2.332 226 Y HA 0.482 5.035 4.550 0.005 0.000 0.326 226 Y C -2.248 173.841 175.900 0.315 0.000 0.978 226 Y CA -1.265 56.941 58.100 0.177 0.000 1.205 226 Y CB 0.547 39.049 38.460 0.070 0.000 1.131 226 Y HN 0.390 nan 8.280 nan 0.000 0.462 227 Y N 6.346 126.725 120.300 0.131 0.000 2.334 227 Y HA 0.606 5.159 4.550 0.005 0.000 0.336 227 Y C -1.353 174.447 175.900 -0.166 0.000 0.960 227 Y CA -1.756 56.281 58.100 -0.105 0.000 1.164 227 Y CB 1.220 39.669 38.460 -0.018 0.000 1.155 227 Y HN 0.338 nan 8.280 nan 0.000 0.478 228 V N 8.369 128.037 119.914 -0.410 0.000 2.339 228 V HA 0.353 4.476 4.120 0.005 0.000 0.261 228 V C 0.139 175.825 176.094 -0.679 0.000 1.058 228 V CA -0.519 61.473 62.300 -0.513 0.000 0.897 228 V CB 0.289 31.698 31.823 -0.691 0.000 1.052 228 V HN 0.662 nan 8.190 nan 0.000 0.480 229 R N 4.119 124.173 120.500 -0.743 0.000 2.207 229 R HA 0.320 4.663 4.340 0.005 0.000 0.334 229 R C 0.055 176.139 176.300 -0.361 0.000 1.013 229 R CA -0.451 55.184 56.100 -0.774 0.000 0.858 229 R CB 0.798 30.561 30.300 -0.895 0.000 1.094 229 R HN 0.771 nan 8.270 nan 0.000 0.457 230 Q N 4.840 124.479 119.800 -0.268 0.000 2.293 230 Q HA 0.074 4.417 4.340 0.005 0.000 0.263 230 Q C 0.189 176.124 176.000 -0.109 0.000 1.002 230 Q CA -0.116 55.590 55.803 -0.161 0.000 0.910 230 Q CB 0.965 29.624 28.738 -0.132 0.000 1.185 230 Q HN 0.778 nan 8.270 nan 0.000 0.401 231 L N 2.125 123.298 121.223 -0.083 0.000 2.221 231 L HA 0.157 4.500 4.340 0.005 0.000 0.202 231 L C 0.690 177.539 176.870 -0.036 0.000 1.074 231 L CA 0.391 55.197 54.840 -0.056 0.000 0.795 231 L CB 0.046 42.076 42.059 -0.047 0.000 0.960 231 L HN 0.687 nan 8.230 nan 0.000 0.458 232 S N -0.749 114.933 115.700 -0.031 0.000 2.588 232 S HA 0.652 5.124 4.470 0.005 0.000 0.269 232 S C -1.321 173.272 174.600 -0.011 0.000 1.157 232 S CA -0.756 57.434 58.200 -0.016 0.000 0.824 232 S CB 2.656 65.850 63.200 -0.010 0.000 1.126 232 S HN -0.006 nan 8.310 nan 0.000 0.464 233 L N 1.677 122.901 121.223 0.002 0.000 2.562 233 L HA 0.786 5.129 4.340 0.005 0.000 0.266 233 L C -0.524 176.359 176.870 0.022 0.000 0.949 233 L CA 0.364 55.211 54.840 0.012 0.000 0.879 233 L CB 1.750 43.821 42.059 0.020 0.000 1.278 233 L HN 1.246 nan 8.230 nan 0.000 0.404 234 T N -0.817 113.750 114.554 0.023 0.000 2.864 234 T HA 0.454 4.807 4.350 0.005 0.000 0.289 234 T C 0.333 175.052 174.700 0.032 0.000 1.082 234 T CA -0.559 61.556 62.100 0.026 0.000 1.009 234 T CB 1.290 70.170 68.868 0.019 0.000 1.234 234 T HN 0.445 nan 8.240 nan 0.000 0.526 235 D N 0.299 120.719 120.400 0.032 0.000 2.265 235 D HA -0.049 4.594 4.640 0.005 0.000 0.208 235 D C 1.525 177.845 176.300 0.034 0.000 0.977 235 D CA 1.271 55.292 54.000 0.035 0.000 0.871 235 D CB 0.054 40.870 40.800 0.028 0.000 0.925 235 D HN 0.673 nan 8.370 nan 0.000 0.485 236 E N -0.546 119.669 120.200 0.026 0.000 2.216 236 E HA 0.101 4.453 4.350 0.005 0.000 0.192 236 E C 0.265 176.878 176.600 0.022 0.000 0.973 236 E CA 0.302 56.716 56.400 0.023 0.000 0.851 236 E CB 0.354 30.064 29.700 0.017 0.000 0.804 236 E HN 0.015 nan 8.360 nan 0.000 0.477 237 N N -0.801 117.910 118.700 0.018 0.000 2.371 237 N HA 0.488 5.231 4.740 0.005 0.000 0.280 237 N C -1.972 173.541 175.510 0.005 0.000 1.084 237 N CA -0.360 52.696 53.050 0.011 0.000 0.892 237 N CB 1.649 40.140 38.487 0.007 0.000 1.653 237 N HN 0.007 nan 8.380 nan 0.000 0.480 238 A N 2.798 125.615 122.820 -0.005 0.000 2.260 238 A HA 0.678 5.001 4.320 0.005 0.000 0.314 238 A C -0.342 177.232 177.584 -0.016 0.000 1.257 238 A CA -0.504 51.523 52.037 -0.017 0.000 0.871 238 A CB 0.393 19.367 19.000 -0.043 0.000 1.166 238 A HN 0.648 nan 8.150 nan 0.000 0.522 239 R N 2.265 122.755 120.500 -0.016 0.000 2.294 239 R HA 0.590 4.933 4.340 0.005 0.000 0.319 239 R C -1.064 175.222 176.300 -0.024 0.000 0.984 239 R CA -0.536 55.555 56.100 -0.014 0.000 0.861 239 R CB 1.165 31.456 30.300 -0.015 0.000 1.104 239 R HN 0.503 nan 8.270 nan 0.000 0.451 240 L N 1.088 122.307 121.223 -0.005 0.000 2.370 240 L HA 0.456 4.799 4.340 0.005 0.000 0.266 240 L C -0.045 176.816 176.870 -0.015 0.000 1.002 240 L CA -0.505 54.324 54.840 -0.019 0.000 0.818 240 L CB 1.835 43.928 42.059 0.058 0.000 1.325 240 L HN 0.532 nan 8.230 nan 0.000 0.418 241 S N 2.303 117.960 115.700 -0.072 0.000 2.474 241 S HA 0.462 4.935 4.470 0.005 0.000 0.321 241 S C -0.502 174.070 174.600 -0.046 0.000 1.080 241 S CA -0.676 57.493 58.200 -0.052 0.000 1.106 241 S CB 0.297 63.450 63.200 -0.080 0.000 0.984 241 S HN 0.584 nan 8.310 nan 0.000 0.464 242 N N 4.771 123.514 118.700 0.071 0.000 2.437 242 N HA 0.175 4.918 4.740 0.005 0.000 0.243 242 N C -0.936 174.683 175.510 0.181 0.000 1.041 242 N CA -0.129 53.046 53.050 0.208 0.000 0.940 242 N CB 1.063 39.733 38.487 0.306 0.000 1.133 242 N HN 0.688 nan 8.380 nan 0.000 0.506 243 E N 2.715 123.039 120.200 0.208 0.000 2.113 243 E HA 0.399 4.752 4.350 0.005 0.000 0.273 243 E C -0.590 176.187 176.600 0.294 0.000 0.924 243 E CA -0.464 56.062 56.400 0.211 0.000 0.764 243 E CB 1.749 31.570 29.700 0.202 0.000 1.104 243 E HN 0.303 nan 8.360 nan 0.000 0.406 244 L N 4.010 125.351 121.223 0.197 0.000 2.365 244 L HA 0.552 4.895 4.340 0.005 0.000 0.273 244 L C -0.520 176.404 176.870 0.090 0.000 1.000 244 L CA -0.643 54.279 54.840 0.137 0.000 0.819 244 L CB 1.657 43.729 42.059 0.022 0.000 1.284 244 L HN 0.445 nan 8.230 nan 0.000 0.418 245 I N 3.416 124.016 120.570 0.050 0.000 2.382 245 I HA 0.401 4.574 4.170 0.005 0.000 0.286 245 I C -0.797 175.274 176.117 -0.076 0.000 1.002 245 I CA -0.732 60.529 61.300 -0.064 0.000 1.135 245 I CB 1.850 39.830 38.000 -0.032 0.000 1.288 245 I HN 0.190 nan 8.210 nan 0.000 0.448 246 V N 5.266 125.114 119.914 -0.111 0.000 2.417 246 V HA 0.323 4.446 4.120 0.005 0.000 0.291 246 V C -0.165 175.881 176.094 -0.079 0.000 1.024 246 V CA -0.711 61.541 62.300 -0.081 0.000 0.861 246 V CB 1.862 33.648 31.823 -0.062 0.000 0.985 246 V HN 0.654 nan 8.190 nan 0.000 0.436 247 N N 3.835 122.500 118.700 -0.058 0.000 2.457 247 N HA 0.186 4.929 4.740 0.005 0.000 0.250 247 N C -0.485 175.035 175.510 0.017 0.000 0.982 247 N CA -0.214 52.820 53.050 -0.026 0.000 0.941 247 N CB 1.130 39.607 38.487 -0.017 0.000 1.120 247 N HN 0.697 nan 8.380 nan 0.000 0.505 248 Q N 4.010 123.825 119.800 0.026 0.000 2.303 248 Q HA 0.233 4.576 4.340 0.005 0.000 0.257 248 Q C 0.032 176.075 176.000 0.071 0.000 0.941 248 Q CA -0.255 55.581 55.803 0.055 0.000 0.931 248 Q CB 1.276 30.032 28.738 0.029 0.000 1.215 248 Q HN 0.738 nan 8.270 nan 0.000 0.437 249 I N 4.305 124.939 120.570 0.108 0.000 3.968 249 I HA -0.007 4.166 4.170 0.005 0.000 0.328 249 I C 0.220 176.360 176.117 0.040 0.000 1.290 249 I CA 0.208 61.561 61.300 0.090 0.000 1.163 249 I CB 0.826 38.906 38.000 0.134 0.000 1.024 249 I HN 0.424 nan 8.210 nan 0.000 0.413 250 V N -1.782 118.153 119.914 0.034 0.000 2.973 250 V HA 0.549 4.672 4.120 0.005 0.000 0.314 250 V C -1.885 174.220 176.094 0.018 0.000 1.066 250 V CA -1.268 61.042 62.300 0.017 0.000 1.021 250 V CB 0.512 32.343 31.823 0.013 0.000 1.076 250 V HN -0.008 nan 8.190 nan 0.000 0.462 251 P HA 0.184 nan 4.420 nan 0.000 0.245 251 P C 0.018 177.325 177.300 0.012 0.000 1.206 251 P CA 0.310 63.418 63.100 0.013 0.000 0.781 251 P CB 0.214 31.920 31.700 0.010 0.000 0.994 252 Q N 0.390 120.197 119.800 0.011 0.000 2.256 252 Q HA 0.318 4.661 4.340 0.005 0.000 0.232 252 Q C 0.026 176.034 176.000 0.012 0.000 0.965 252 Q CA -0.142 55.667 55.803 0.011 0.000 0.908 252 Q CB 0.469 29.212 28.738 0.009 0.000 1.209 252 Q HN -0.038 nan 8.270 nan 0.000 0.489 253 K N 1.077 121.483 120.400 0.011 0.000 2.297 253 K HA 0.324 4.647 4.320 0.005 0.000 0.286 253 K C -0.689 175.917 176.600 0.010 0.000 1.053 253 K CA -0.156 56.138 56.287 0.011 0.000 0.940 253 K CB 0.620 33.126 32.500 0.010 0.000 1.019 253 K HN 0.380 nan 8.250 nan 0.000 0.475 254 I N 5.545 126.122 120.570 0.011 0.000 2.382 254 I HA 0.254 4.427 4.170 0.005 0.000 0.285 254 I C -2.379 173.743 176.117 0.008 0.000 1.007 254 I CA -3.308 57.999 61.300 0.011 0.000 1.142 254 I CB 0.916 38.925 38.000 0.015 0.000 1.289 254 I HN 0.307 nan 8.210 nan 0.000 0.453 255 P HA 0.338 nan 4.420 nan 0.000 0.268 255 P C -0.556 176.746 177.300 0.003 0.000 1.205 255 P CA -0.002 63.101 63.100 0.004 0.000 0.771 255 P CB 1.086 32.788 31.700 0.003 0.000 0.858 256 A N 1.741 124.561 122.820 -0.000 0.000 2.594 256 A HA 0.608 4.931 4.320 0.005 0.000 0.291 256 A C -1.274 176.306 177.584 -0.007 0.000 1.105 256 A CA -0.581 51.455 52.037 -0.003 0.000 0.694 256 A CB 1.439 20.436 19.000 -0.004 0.000 1.291 256 A HN 0.507 nan 8.150 nan 0.000 0.410 257 E N 0.932 121.125 120.200 -0.012 0.000 2.199 257 E HA 0.569 4.922 4.350 0.005 0.000 0.265 257 E C -1.517 175.068 176.600 -0.026 0.000 0.882 257 E CA -0.564 55.826 56.400 -0.016 0.000 0.759 257 E CB 1.711 31.403 29.700 -0.014 0.000 1.148 257 E HN 0.440 nan 8.360 nan 0.000 0.412 258 V N 5.418 125.314 119.914 -0.030 0.000 2.461 258 V HA 0.392 4.515 4.120 0.005 0.000 0.275 258 V C 0.137 176.202 176.094 -0.048 0.000 1.047 258 V CA -0.325 61.947 62.300 -0.047 0.000 0.955 258 V CB 0.856 32.650 31.823 -0.048 0.000 0.988 258 V HN 0.633 nan 8.190 nan 0.000 0.471 259 R N 3.698 124.160 120.500 -0.064 0.000 2.561 259 R HA 0.745 5.088 4.340 0.005 0.000 0.297 259 R C -1.648 174.605 176.300 -0.078 0.000 0.969 259 R CA -0.767 55.299 56.100 -0.057 0.000 0.879 259 R CB 2.386 32.658 30.300 -0.046 0.000 1.178 259 R HN 0.454 nan 8.270 nan 0.000 0.445 260 V N 3.041 122.920 119.914 -0.058 0.000 2.444 260 V HA 0.263 4.386 4.120 0.005 0.000 0.294 260 V C -0.297 175.761 176.094 -0.059 0.000 1.022 260 V CA -0.902 61.369 62.300 -0.049 0.000 0.850 260 V CB 1.709 33.533 31.823 0.002 0.000 0.992 260 V HN 0.686 nan 8.190 nan 0.000 0.426 261 N N 4.210 122.872 118.700 -0.063 0.000 2.408 261 N HA 0.443 5.186 4.740 0.005 0.000 0.280 261 N C -1.217 174.192 175.510 -0.169 0.000 1.002 261 N CA -0.217 52.780 53.050 -0.087 0.000 0.907 261 N CB 2.129 40.586 38.487 -0.049 0.000 1.161 261 N HN 0.381 nan 8.380 nan 0.000 0.488 262 V N 2.357 122.114 119.914 -0.261 0.000 2.394 262 V HA 0.435 4.558 4.120 0.005 0.000 0.282 262 V C 0.124 176.134 176.094 -0.139 0.000 1.031 262 V CA -0.424 61.622 62.300 -0.423 0.000 0.881 262 V CB 1.185 32.588 31.823 -0.701 0.000 0.982 262 V HN 0.653 nan 8.190 nan 0.000 0.451 263 S N 4.101 119.780 115.700 -0.035 0.000 2.599 263 S HA 0.828 5.301 4.470 0.005 0.000 0.287 263 S C -1.325 173.307 174.600 0.053 0.000 1.105 263 S CA -0.517 57.698 58.200 0.024 0.000 0.899 263 S CB 2.025 65.230 63.200 0.010 0.000 1.100 263 S HN 0.537 nan 8.310 nan 0.000 0.482 264 L N 3.109 124.320 121.223 -0.020 0.000 2.439 264 L HA 0.546 4.889 4.340 0.005 0.000 0.270 264 L C 0.295 177.118 176.870 -0.078 0.000 0.972 264 L CA 0.149 54.908 54.840 -0.134 0.000 0.836 264 L CB 0.729 42.620 42.059 -0.280 0.000 1.255 264 L HN 0.934 nan 8.230 nan 0.000 0.404 265 N N 3.879 122.541 118.700 -0.063 0.000 2.725 265 N HA -0.229 4.514 4.740 0.005 0.000 0.249 265 N C 0.898 176.397 175.510 -0.019 0.000 1.103 265 N CA 0.887 53.915 53.050 -0.036 0.000 0.707 265 N CB -0.428 38.032 38.487 -0.046 0.000 1.043 265 N HN 1.330 nan 8.380 nan 0.000 0.553 266 G N -2.113 106.680 108.800 -0.010 0.000 2.175 266 G HA2 -0.244 3.719 3.960 0.005 0.000 0.244 266 G HA3 -0.244 3.719 3.960 0.005 0.000 0.244 266 G C 0.014 174.911 174.900 -0.004 0.000 0.982 266 G CA 0.562 45.661 45.100 -0.003 0.000 0.641 266 G HN 0.456 nan 8.290 nan 0.000 0.527 267 T N 1.859 116.408 114.554 -0.008 0.000 2.779 267 T HA 0.553 4.906 4.350 0.005 0.000 0.280 267 T C 0.356 175.055 174.700 -0.002 0.000 0.987 267 T CA 0.116 62.213 62.100 -0.006 0.000 0.966 267 T CB 1.585 70.449 68.868 -0.007 0.000 0.933 267 T HN 0.206 nan 8.240 nan 0.000 0.442 268 T N 3.065 117.617 114.554 -0.004 0.000 2.867 268 T HA 0.112 4.465 4.350 0.005 0.000 0.297 268 T C 1.358 176.059 174.700 0.001 0.000 0.989 268 T CA -0.189 61.906 62.100 -0.009 0.000 1.159 268 T CB 0.683 69.542 68.868 -0.014 0.000 0.928 268 T HN 0.349 nan 8.240 nan 0.000 0.538 269 V N 2.434 122.350 119.914 0.004 0.000 2.690 269 V HA 0.221 4.344 4.120 0.005 0.000 0.240 269 V C 1.187 177.276 176.094 -0.009 0.000 1.078 269 V CA 0.829 63.145 62.300 0.027 0.000 1.102 269 V CB 0.860 32.748 31.823 0.109 0.000 0.800 269 V HN 0.931 nan 8.190 nan 0.000 0.479 270 T N -0.687 113.836 114.554 -0.052 0.000 2.889 270 T HA 0.506 4.859 4.350 0.005 0.000 0.315 270 T C -1.865 172.788 174.700 -0.080 0.000 1.291 270 T CA -0.449 61.615 62.100 -0.060 0.000 1.028 270 T CB 2.220 71.051 68.868 -0.063 0.000 1.235 270 T HN 0.306 nan 8.240 nan 0.000 0.491 271 E N 1.422 121.589 120.200 -0.056 0.000 2.275 271 E HA 0.654 5.007 4.350 0.005 0.000 0.270 271 E C -1.173 175.404 176.600 -0.039 0.000 0.882 271 E CA -0.828 55.541 56.400 -0.053 0.000 0.758 271 E CB 1.970 31.646 29.700 -0.039 0.000 1.195 271 E HN 0.637 nan 8.360 nan 0.000 0.419 272 V N 0.193 120.085 119.914 -0.036 0.000 3.130 272 V HA 0.789 4.912 4.120 0.005 0.000 0.310 272 V C -1.045 175.035 176.094 -0.023 0.000 1.158 272 V CA -0.812 61.474 62.300 -0.023 0.000 1.029 272 V CB 2.122 33.937 31.823 -0.013 0.000 1.057 272 V HN 0.634 nan 8.190 nan 0.000 0.436 273 K N 0.996 121.385 120.400 -0.017 0.000 2.543 273 K HA 0.589 4.912 4.320 0.005 0.000 0.255 273 K C -1.668 174.924 176.600 -0.013 0.000 0.934 273 K CA -0.463 55.813 56.287 -0.018 0.000 0.810 273 K CB 2.328 34.818 32.500 -0.016 0.000 1.315 273 K HN 0.997 nan 8.250 nan 0.000 0.433 274 Q N 3.357 123.148 119.800 -0.014 0.000 2.309 274 Q HA 0.177 4.520 4.340 0.005 0.000 0.254 274 Q C -1.228 174.767 176.000 -0.008 0.000 0.938 274 Q CA -0.823 54.975 55.803 -0.009 0.000 0.789 274 Q CB 1.369 30.104 28.738 -0.005 0.000 1.313 274 Q HN 0.458 nan 8.270 nan 0.000 0.438 275 Q N 1.890 121.687 119.800 -0.005 0.000 2.311 275 Q HA 0.307 4.650 4.340 0.005 0.000 0.272 275 Q C 0.094 176.093 176.000 -0.001 0.000 1.012 275 Q CA 0.104 55.905 55.803 -0.004 0.000 0.891 275 Q CB 1.107 29.843 28.738 -0.002 0.000 1.201 275 Q HN 0.524 nan 8.270 nan 0.000 0.391 276 V N -1.015 118.898 119.914 -0.001 0.000 3.206 276 V HA 0.754 4.877 4.120 0.005 0.000 0.305 276 V C -0.618 175.478 176.094 0.003 0.000 1.257 276 V CA -0.889 61.412 62.300 0.002 0.000 1.057 276 V CB 2.475 34.299 31.823 0.002 0.000 1.075 276 V HN 0.645 nan 8.190 nan 0.000 0.443 277 T N 3.472 118.030 114.554 0.006 0.000 2.815 277 T HA 0.601 4.954 4.350 0.005 0.000 0.289 277 T C -0.368 174.337 174.700 0.008 0.000 1.000 277 T CA -0.245 61.859 62.100 0.006 0.000 0.958 277 T CB 0.817 69.689 68.868 0.007 0.000 0.944 277 T HN 0.682 nan 8.240 nan 0.000 0.442 278 L N 3.966 125.193 121.223 0.007 0.000 2.360 278 L HA 0.295 4.638 4.340 0.005 0.000 0.276 278 L C 0.687 177.563 176.870 0.010 0.000 1.121 278 L CA -0.687 54.157 54.840 0.006 0.000 0.845 278 L CB 0.457 42.519 42.059 0.005 0.000 1.143 278 L HN 0.394 nan 8.230 nan 0.000 0.452 279 Q N 3.806 123.612 119.800 0.010 0.000 2.221 279 Q HA 0.391 4.734 4.340 0.005 0.000 0.242 279 Q C -2.229 173.779 176.000 0.014 0.000 0.940 279 Q CA -2.234 53.577 55.803 0.013 0.000 0.896 279 Q CB 0.707 29.454 28.738 0.016 0.000 1.226 279 Q HN 0.289 nan 8.270 nan 0.000 0.463 280 P HA -0.018 nan 4.420 nan 0.000 0.263 280 P C 0.348 177.658 177.300 0.017 0.000 1.175 280 P CA 1.580 64.691 63.100 0.019 0.000 0.761 280 P CB 0.242 31.954 31.700 0.019 0.000 0.794 281 G N 2.757 111.568 108.800 0.019 0.000 2.542 281 G HA2 -0.196 3.767 3.960 0.005 0.000 0.235 281 G HA3 -0.196 3.767 3.960 0.005 0.000 0.235 281 G C -0.759 174.134 174.900 -0.011 0.000 1.286 281 G CA -0.807 44.301 45.100 0.012 0.000 0.904 281 G HN 0.484 nan 8.290 nan 0.000 0.577 282 I N 2.374 122.927 120.570 -0.029 0.000 2.496 282 I HA 0.284 4.457 4.170 0.005 0.000 0.285 282 I C 0.545 176.582 176.117 -0.133 0.000 1.080 282 I CA -0.435 60.802 61.300 -0.105 0.000 1.404 282 I CB 0.428 38.355 38.000 -0.123 0.000 1.403 282 I HN 0.455 nan 8.210 nan 0.000 0.539 283 N N 5.721 124.303 118.700 -0.196 0.000 2.284 283 N HA 0.347 5.090 4.740 0.005 0.000 0.300 283 N C -0.769 174.588 175.510 -0.255 0.000 1.047 283 N CA -0.588 52.378 53.050 -0.140 0.000 0.821 283 N CB 1.999 40.452 38.487 -0.056 0.000 1.337 283 N HN 0.500 nan 8.380 nan 0.000 0.482 284 H N 2.026 121.109 119.070 0.023 0.000 2.511 284 H HA 0.441 5.000 4.556 0.005 0.000 0.328 284 H C -0.466 174.876 175.328 0.024 0.000 1.044 284 H CA -0.287 55.779 56.048 0.029 0.000 1.212 284 H CB 1.681 31.461 29.762 0.030 0.000 1.428 284 H HN 0.385 nan 8.280 nan 0.000 0.483 285 I N 2.133 122.775 120.570 0.119 0.000 2.509 285 I HA 0.173 4.346 4.170 0.005 0.000 0.293 285 I C 0.082 176.247 176.117 0.081 0.000 1.020 285 I CA -0.149 61.195 61.300 0.073 0.000 1.088 285 I CB 2.215 40.231 38.000 0.027 0.000 1.267 285 I HN 0.424 nan 8.210 nan 0.000 0.430 286 T N 6.835 121.426 114.554 0.061 0.000 2.840 286 T HA 0.680 5.033 4.350 0.005 0.000 0.287 286 T C -0.852 173.870 174.700 0.036 0.000 0.991 286 T CA -0.396 61.737 62.100 0.054 0.000 0.964 286 T CB 0.882 69.775 68.868 0.042 0.000 0.954 286 T HN 0.094 nan 8.240 nan 0.000 0.438 287 L N 6.207 127.455 121.223 0.041 0.000 2.372 287 L HA 0.468 4.811 4.340 0.005 0.000 0.274 287 L C -2.214 174.679 176.870 0.039 0.000 0.988 287 L CA -2.060 52.799 54.840 0.031 0.000 0.833 287 L CB 1.472 43.546 42.059 0.025 0.000 1.236 287 L HN 0.342 nan 8.230 nan 0.000 0.410 288 P HA 0.355 nan 4.420 nan 0.000 0.268 288 P C -0.999 176.317 177.300 0.027 0.000 1.205 288 P CA -0.174 62.938 63.100 0.020 0.000 0.771 288 P CB 1.501 33.205 31.700 0.007 0.000 0.858 289 A N 2.379 125.221 122.820 0.036 0.000 2.572 289 A HA 0.633 4.956 4.320 0.005 0.000 0.295 289 A C -1.036 176.560 177.584 0.020 0.000 1.072 289 A CA -0.603 51.449 52.037 0.025 0.000 0.691 289 A CB 1.626 20.646 19.000 0.032 0.000 1.291 289 A HN 0.525 nan 8.150 nan 0.000 0.404 290 E N -0.068 120.130 120.200 -0.004 0.000 2.317 290 E HA 0.586 4.939 4.350 0.005 0.000 0.270 290 E C -1.567 175.017 176.600 -0.027 0.000 0.885 290 E CA -0.909 55.486 56.400 -0.009 0.000 0.760 290 E CB 2.681 32.377 29.700 -0.006 0.000 1.227 290 E HN 0.334 nan 8.360 nan 0.000 0.434 291 V N 2.190 122.084 119.914 -0.033 0.000 2.349 291 V HA 0.212 4.335 4.120 0.005 0.000 0.284 291 V C 0.103 176.194 176.094 -0.005 0.000 1.014 291 V CA -0.860 61.416 62.300 -0.040 0.000 0.826 291 V CB 1.123 32.863 31.823 -0.138 0.000 1.009 291 V HN 0.841 nan 8.190 nan 0.000 0.431 292 T N 1.256 115.819 114.554 0.014 0.000 2.918 292 T HA 0.256 4.609 4.350 0.005 0.000 0.302 292 T C 0.481 175.209 174.700 0.046 0.000 1.045 292 T CA -0.278 61.836 62.100 0.025 0.000 1.114 292 T CB -0.079 68.802 68.868 0.021 0.000 0.965 292 T HN 0.799 nan 8.240 nan 0.000 0.540 293 N N 0.798 119.525 118.700 0.045 0.000 2.689 293 N HA -0.126 4.617 4.740 0.005 0.000 0.263 293 N C -2.587 172.980 175.510 0.095 0.000 0.987 293 N CA 0.156 53.242 53.050 0.059 0.000 0.782 293 N CB -1.186 37.332 38.487 0.052 0.000 0.903 293 N HN 0.618 nan 8.380 nan 0.000 0.547 294 P HA 0.030 nan 4.420 nan 0.000 0.268 294 P C -0.041 177.390 177.300 0.217 0.000 1.204 294 P CA -0.066 63.127 63.100 0.155 0.000 0.768 294 P CB 0.839 32.579 31.700 0.067 0.000 0.842 295 V N 5.296 125.423 119.914 0.356 0.000 2.405 295 V HA 0.120 4.243 4.120 0.005 0.000 0.264 295 V C 1.355 177.640 176.094 0.318 0.000 1.048 295 V CA -0.162 62.296 62.300 0.263 0.000 0.966 295 V CB -0.643 31.272 31.823 0.153 0.000 1.015 295 V HN 0.455 nan 8.190 nan 0.000 0.477 296 R N 3.146 123.780 120.500 0.224 0.000 2.543 296 R HA 0.095 4.438 4.340 0.005 0.000 0.277 296 R C -0.294 176.177 176.300 0.285 0.000 1.074 296 R CA -0.394 55.856 56.100 0.249 0.000 1.076 296 R CB 0.822 31.234 30.300 0.188 0.000 0.993 296 R HN 0.786 nan 8.270 nan 0.000 0.459 297 W N 5.108 126.492 121.300 0.140 0.000 2.368 297 W HA 0.089 4.751 4.660 0.004 0.000 0.316 297 W C -0.778 175.813 176.519 0.120 0.000 1.375 297 W CA -0.169 57.246 57.345 0.117 0.000 1.261 297 W CB 0.591 30.113 29.460 0.104 0.000 1.298 297 W HN 0.251 nan 8.180 nan 0.000 0.539 298 M N 9.298 128.692 119.600 -0.343 0.000 2.528 298 M HA 0.366 4.849 4.480 0.005 0.000 0.321 298 M C -2.021 173.785 176.300 -0.823 0.000 1.153 298 M CA -2.641 52.480 55.300 -0.298 0.000 0.951 298 M CB 1.588 34.162 32.600 -0.044 0.000 1.705 298 M HN 0.281 nan 8.290 nan 0.000 0.451 299 P HA 0.072 nan 4.420 nan 0.000 0.274 299 P C -0.535 176.561 177.300 -0.339 0.000 1.237 299 P CA -0.381 62.409 63.100 -0.517 0.000 0.793 299 P CB 0.315 31.823 31.700 -0.321 0.000 0.977 300 N N 0.385 118.914 118.700 -0.285 0.000 2.359 300 N HA 0.122 4.865 4.740 0.005 0.000 0.261 300 N C 1.491 176.907 175.510 -0.155 0.000 1.267 300 N CA 2.187 55.132 53.050 -0.176 0.000 0.864 300 N CB -0.579 37.834 38.487 -0.124 0.000 1.063 300 N HN 0.759 nan 8.380 nan 0.000 0.474 301 G N 2.481 111.247 108.800 -0.056 0.000 2.279 301 G HA2 -0.243 3.720 3.960 0.005 0.000 0.223 301 G HA3 -0.243 3.720 3.960 0.005 0.000 0.223 301 G C 0.470 175.499 174.900 0.215 0.000 1.015 301 G CA 0.204 45.320 45.100 0.026 0.000 0.621 301 G HN 0.572 nan 8.290 nan 0.000 0.506 302 W N 1.852 123.107 121.300 -0.074 0.000 3.127 302 W HA 0.586 5.251 4.660 0.008 0.000 0.344 302 W C 1.273 177.746 176.519 -0.076 0.000 1.151 302 W CA 0.628 57.937 57.345 -0.060 0.000 1.765 302 W CB 0.405 29.834 29.460 -0.051 0.000 1.085 302 W HN 1.112 nan 8.180 nan 0.000 0.596 303 G N -0.216 108.643 108.800 0.099 0.000 2.332 303 G HA2 0.158 4.121 3.960 0.005 0.000 0.265 303 G HA3 0.158 4.121 3.960 0.005 0.000 0.265 303 G C -0.657 174.203 174.900 -0.067 0.000 1.329 303 G CA -0.357 44.750 45.100 0.012 0.000 0.949 303 G HN -0.069 nan 8.290 nan 0.000 0.476 304 T N 0.056 114.562 114.554 -0.080 0.000 2.845 304 T HA 0.650 5.003 4.350 0.005 0.000 0.288 304 T C -2.393 172.171 174.700 -0.227 0.000 0.980 304 T CA -1.408 60.624 62.100 -0.114 0.000 1.071 304 T CB 2.147 70.981 68.868 -0.057 0.000 0.941 304 T HN 0.449 nan 8.240 nan 0.000 0.487 305 P HA 0.181 nan 4.420 nan 0.000 0.220 305 P C -0.243 177.025 177.300 -0.054 0.000 1.806 305 P CA -0.447 62.326 63.100 -0.546 0.000 0.976 305 P CB -0.897 30.570 31.700 -0.388 0.000 1.952 306 T N 2.540 117.114 114.554 0.034 0.000 2.831 306 T HA 0.121 4.474 4.350 0.005 0.000 0.291 306 T C 0.452 175.346 174.700 0.324 0.000 0.981 306 T CA 0.606 62.794 62.100 0.146 0.000 1.174 306 T CB 0.022 68.956 68.868 0.110 0.000 0.929 306 T HN 0.170 nan 8.240 nan 0.000 0.532 307 L N 3.983 125.328 121.223 0.203 0.000 2.349 307 L HA 0.467 4.810 4.340 0.005 0.000 0.278 307 L C -0.487 176.474 176.870 0.151 0.000 0.996 307 L CA -1.052 53.931 54.840 0.239 0.000 0.825 307 L CB 1.110 43.288 42.059 0.198 0.000 1.243 307 L HN 0.624 nan 8.230 nan 0.000 0.412 308 Y N 1.183 121.607 120.300 0.207 0.000 2.316 308 Y HA 0.190 4.743 4.550 0.005 0.000 0.324 308 Y C 0.371 176.440 175.900 0.281 0.000 1.267 308 Y CA -0.303 57.947 58.100 0.249 0.000 1.311 308 Y CB 1.018 39.723 38.460 0.409 0.000 1.267 308 Y HN 0.448 nan 8.280 nan 0.000 0.516 309 D N 2.446 123.065 120.400 0.364 0.000 2.349 309 D HA 0.194 4.836 4.640 0.005 0.000 0.232 309 D C -1.319 175.178 176.300 0.329 0.000 1.071 309 D CA -0.112 54.069 54.000 0.302 0.000 0.832 309 D CB 0.892 41.783 40.800 0.153 0.000 1.086 309 D HN 0.210 nan 8.370 nan 0.000 0.504 310 F N 1.181 121.221 119.950 0.150 0.000 2.388 310 F HA 0.202 4.732 4.527 0.004 0.000 0.358 310 F C 0.798 176.739 175.800 0.235 0.000 1.122 310 F CA -0.645 57.467 58.000 0.188 0.000 1.056 310 F CB 1.788 40.897 39.000 0.182 0.000 1.155 310 F HN 0.022 nan 8.300 nan 0.000 0.461 311 S N 3.197 119.051 115.700 0.256 0.000 2.498 311 S HA 0.856 5.329 4.470 0.005 0.000 0.317 311 S C -0.726 173.876 174.600 0.004 0.000 1.090 311 S CA -0.487 57.792 58.200 0.131 0.000 1.089 311 S CB 0.742 63.970 63.200 0.047 0.000 0.997 311 S HN 0.748 nan 8.310 nan 0.000 0.470 312 A N 4.776 127.486 122.820 -0.184 0.000 2.288 312 A HA 0.712 5.035 4.320 0.005 0.000 0.320 312 A C -0.499 176.947 177.584 -0.231 0.000 1.217 312 A CA -0.666 51.134 52.037 -0.395 0.000 0.840 312 A CB 0.796 19.185 19.000 -1.017 0.000 1.179 312 A HN 0.851 nan 8.150 nan 0.000 0.504 313 Q N 1.785 121.489 119.800 -0.160 0.000 2.365 313 Q HA 0.496 4.839 4.340 0.005 0.000 0.269 313 Q C -1.110 174.835 176.000 -0.092 0.000 1.061 313 Q CA -0.898 54.843 55.803 -0.104 0.000 0.816 313 Q CB 2.464 31.163 28.738 -0.065 0.000 1.325 313 Q HN 0.610 nan 8.270 nan 0.000 0.446 314 I N 1.854 122.381 120.570 -0.072 0.000 2.304 314 I HA 0.443 4.616 4.170 0.005 0.000 0.291 314 I C -0.153 175.947 176.117 -0.028 0.000 1.018 314 I CA -0.495 60.775 61.300 -0.049 0.000 1.260 314 I CB 0.493 38.468 38.000 -0.042 0.000 1.390 314 I HN 0.601 nan 8.210 nan 0.000 0.475 315 A N 6.312 129.118 122.820 -0.023 0.000 2.271 315 A HA 0.566 4.889 4.320 0.005 0.000 0.317 315 A C -0.493 177.088 177.584 -0.006 0.000 1.245 315 A CA -0.345 51.684 52.037 -0.013 0.000 0.857 315 A CB 0.608 19.599 19.000 -0.015 0.000 1.175 315 A HN 0.769 nan 8.150 nan 0.000 0.512 316 C N 3.197 122.498 119.300 0.001 0.000 2.317 316 C HA 0.715 5.178 4.460 0.005 0.000 0.306 316 C C 1.163 176.156 174.990 0.005 0.000 1.087 316 C CA 0.160 59.181 59.018 0.005 0.000 1.529 316 C CB -0.851 26.896 27.740 0.011 0.000 1.880 316 C HN 1.718 nan 8.230 nan 0.000 0.417 320 I N 4.232 124.805 120.570 0.005 0.000 2.308 320 I HA 0.028 4.201 4.170 0.005 0.000 0.293 320 I C 1.843 177.966 176.117 0.011 0.000 1.078 320 I CA -0.378 60.923 61.300 0.000 0.000 1.292 320 I CB 1.014 39.010 38.000 -0.006 0.000 1.423 320 I HN 0.796 nan 8.210 nan 0.000 0.493 321 V N 3.814 123.737 119.914 0.015 0.000 2.719 321 V HA 0.346 4.469 4.120 0.005 0.000 0.252 321 V C 0.847 176.957 176.094 0.027 0.000 1.065 321 V CA 0.794 63.117 62.300 0.038 0.000 1.086 321 V CB -0.192 31.663 31.823 0.053 0.000 0.700 321 V HN 0.716 nan 8.190 nan 0.000 0.467 322 A N -0.352 122.462 122.820 -0.010 0.000 2.547 322 A HA 0.783 5.106 4.320 0.005 0.000 0.297 322 A C -0.934 176.615 177.584 -0.058 0.000 1.056 322 A CA -0.475 51.536 52.037 -0.044 0.000 0.688 322 A CB 2.036 20.992 19.000 -0.072 0.000 1.282 322 A HN 0.294 nan 8.150 nan 0.000 0.400 323 E N 0.660 120.822 120.200 -0.063 0.000 2.366 323 E HA 0.611 4.964 4.350 0.005 0.000 0.278 323 E C -1.814 174.742 176.600 -0.074 0.000 0.923 323 E CA -0.317 56.040 56.400 -0.071 0.000 0.761 323 E CB 2.301 31.974 29.700 -0.045 0.000 1.231 323 E HN 0.722 nan 8.360 nan 0.000 0.443 324 Q N 1.098 120.847 119.800 -0.086 0.000 2.320 324 Q HA 0.491 4.834 4.340 0.005 0.000 0.272 324 Q C -1.963 174.031 176.000 -0.011 0.000 1.023 324 Q CA -0.365 55.398 55.803 -0.066 0.000 0.855 324 Q CB 1.922 30.628 28.738 -0.055 0.000 1.367 324 Q HN 0.361 nan 8.270 nan 0.000 0.406 325 S N 2.510 118.179 115.700 -0.050 0.000 2.600 325 S HA 0.741 5.214 4.470 0.005 0.000 0.300 325 S C -1.362 173.115 174.600 -0.206 0.000 1.087 325 S CA -0.746 57.464 58.200 0.015 0.000 0.965 325 S CB 1.022 64.254 63.200 0.054 0.000 1.089 325 S HN 0.592 nan 8.310 nan 0.000 0.496 326 H N 0.864 119.998 119.070 0.108 0.000 2.851 326 H HA 0.426 4.984 4.556 0.005 0.000 0.372 326 H C -0.546 174.794 175.328 0.020 0.000 1.158 326 H CA -0.674 55.344 56.048 -0.049 0.000 1.159 326 H CB 1.376 30.983 29.762 -0.260 0.000 1.757 326 H HN 0.424 nan 8.280 nan 0.000 0.546 327 R N 1.762 122.339 120.500 0.129 0.000 2.308 327 R HA 0.404 4.747 4.340 0.005 0.000 0.305 327 R C -0.335 175.978 176.300 0.022 0.000 1.053 327 R CA -0.633 55.540 56.100 0.121 0.000 0.957 327 R CB 0.969 31.334 30.300 0.109 0.000 1.022 327 R HN 0.286 nan 8.270 nan 0.000 0.461 328 I N 1.734 122.342 120.570 0.064 0.000 2.466 328 I HA 0.298 4.471 4.170 0.005 0.000 0.289 328 I C 0.396 176.538 176.117 0.041 0.000 1.026 328 I CA -0.536 60.690 61.300 -0.124 0.000 1.078 328 I CB 1.705 39.379 38.000 -0.542 0.000 1.249 328 I HN 0.708 nan 8.210 nan 0.000 0.429 329 G N 6.648 115.391 108.800 -0.095 0.000 2.356 329 G HA2 0.650 4.613 3.960 0.005 0.000 0.322 329 G HA3 0.650 4.613 3.960 0.005 0.000 0.322 329 G C -0.765 174.146 174.900 0.019 0.000 1.125 329 G CA -0.508 44.611 45.100 0.031 0.000 0.885 329 G HN 0.461 nan 8.290 nan 0.000 0.467 330 L N 3.781 125.121 121.223 0.195 0.000 2.255 330 L HA 0.622 4.965 4.340 0.005 0.000 0.289 330 L C 0.268 177.242 176.870 0.173 0.000 1.046 330 L CA -0.852 54.047 54.840 0.100 0.000 0.816 330 L CB 0.546 42.646 42.059 0.069 0.000 1.197 330 L HN 0.634 nan 8.230 nan 0.000 0.427 331 R N 1.752 122.318 120.500 0.109 0.000 2.712 331 R HA 0.470 4.813 4.340 0.005 0.000 0.272 331 R C -1.243 175.117 176.300 0.101 0.000 1.032 331 R CA -0.708 55.496 56.100 0.173 0.000 0.874 331 R CB 1.200 31.706 30.300 0.345 0.000 1.256 331 R HN 0.387 nan 8.270 nan 0.000 0.468 332 T N -0.557 114.073 114.554 0.127 0.000 2.824 332 T HA 0.728 5.081 4.350 0.005 0.000 0.280 332 T C 0.330 175.102 174.700 0.121 0.000 0.995 332 T CA -0.754 61.400 62.100 0.091 0.000 1.009 332 T CB 0.859 69.773 68.868 0.075 0.000 0.955 332 T HN 0.475 nan 8.240 nan 0.000 0.452 333 I N 2.679 123.299 120.570 0.084 0.000 2.439 333 I HA 0.467 4.640 4.170 0.005 0.000 0.285 333 I C -0.014 176.121 176.117 0.030 0.000 1.021 333 I CA -0.888 60.472 61.300 0.100 0.000 1.091 333 I CB 1.914 39.985 38.000 0.117 0.000 1.242 333 I HN 0.623 nan 8.210 nan 0.000 0.439 334 R N 6.094 126.586 120.500 -0.012 0.000 2.437 334 R HA 0.655 4.998 4.340 0.005 0.000 0.310 334 R C -1.654 174.436 176.300 -0.349 0.000 0.955 334 R CA -0.495 55.523 56.100 -0.136 0.000 0.851 334 R CB 1.838 32.076 30.300 -0.103 0.000 1.161 334 R HN 0.414 nan 8.270 nan 0.000 0.446 335 V N 5.481 125.040 119.914 -0.591 0.000 2.406 335 V HA 0.240 4.363 4.120 0.005 0.000 0.272 335 V C -0.223 175.236 176.094 -1.059 0.000 1.043 335 V CA -0.588 61.009 62.300 -1.172 0.000 0.915 335 V CB 1.501 32.170 31.823 -1.923 0.000 0.988 335 V HN 0.529 nan 8.190 nan 0.000 0.466 336 V N 5.573 124.804 119.914 -1.138 0.000 2.328 336 V HA 0.396 4.519 4.120 0.005 0.000 0.278 336 V C 0.299 175.894 176.094 -0.832 0.000 1.021 336 V CA -0.414 61.329 62.300 -0.929 0.000 0.838 336 V CB 1.089 32.184 31.823 -1.214 0.000 0.999 336 V HN 0.950 nan 8.190 nan 0.000 0.447 337 N N 4.415 122.795 118.700 -0.534 0.000 2.690 337 N HA 0.352 5.095 4.740 0.005 0.000 0.255 337 N C -0.924 174.539 175.510 -0.078 0.000 1.195 337 N CA -0.268 52.611 53.050 -0.284 0.000 0.790 337 N CB 1.240 39.541 38.487 -0.311 0.000 1.216 337 N HN 0.755 nan 8.380 nan 0.000 0.528 338 E N 1.465 121.652 120.200 -0.022 0.000 2.340 338 E HA 0.288 4.641 4.350 0.005 0.000 0.273 338 E C -0.789 175.856 176.600 0.074 0.000 0.891 338 E CA -0.865 55.547 56.400 0.020 0.000 0.757 338 E CB 2.340 32.040 29.700 0.000 0.000 1.231 338 E HN 0.279 nan 8.360 nan 0.000 0.439 339 K N 2.276 122.722 120.400 0.077 0.000 2.485 339 K HA 0.069 4.392 4.320 0.005 0.000 0.277 339 K C -0.423 176.228 176.600 0.085 0.000 0.990 339 K CA 0.517 56.858 56.287 0.089 0.000 0.994 339 K CB 0.153 32.700 32.500 0.079 0.000 0.906 339 K HN 0.537 nan 8.250 nan 0.000 0.488 340 D N -0.231 120.225 120.400 0.093 0.000 2.759 340 D HA 0.042 4.685 4.640 0.005 0.000 0.321 340 D C 0.384 176.741 176.300 0.095 0.000 1.267 340 D CA -0.908 53.147 54.000 0.092 0.000 0.933 340 D CB 0.271 41.132 40.800 0.102 0.000 1.431 340 D HN 0.363 nan 8.370 nan 0.000 0.504 341 K N -0.775 119.684 120.400 0.098 0.000 2.209 341 K HA -0.114 4.209 4.320 0.005 0.000 0.204 341 K C 0.281 176.957 176.600 0.127 0.000 1.048 341 K CA 1.303 57.651 56.287 0.102 0.000 0.940 341 K CB -0.205 32.355 32.500 0.099 0.000 0.729 341 K HN 0.235 nan 8.250 nan 0.000 0.451 342 D N 0.061 120.548 120.400 0.146 0.000 2.333 342 D HA 0.089 4.732 4.640 0.005 0.000 0.208 342 D C 1.169 177.565 176.300 0.161 0.000 0.984 342 D CA 1.160 55.281 54.000 0.201 0.000 0.873 342 D CB 1.154 42.111 40.800 0.261 0.000 0.935 342 D HN 0.539 nan 8.370 nan 0.000 0.521 343 G N 0.439 109.312 108.800 0.120 0.000 1.800 343 G HA2 -0.088 3.875 3.960 0.005 0.000 0.054 343 G HA3 -0.088 3.875 3.960 0.005 0.000 0.054 343 G C -1.070 173.904 174.900 0.123 0.000 0.844 343 G CA -0.659 44.512 45.100 0.118 0.000 1.105 343 G HN 0.148 nan 8.290 nan 0.000 0.327 344 E N 0.977 121.259 120.200 0.137 0.000 2.263 344 E HA 0.532 4.885 4.350 0.005 0.000 0.268 344 E C -0.295 176.417 176.600 0.186 0.000 0.884 344 E CA -0.261 56.248 56.400 0.180 0.000 0.766 344 E CB 2.226 32.095 29.700 0.281 0.000 1.196 344 E HN 0.662 nan 8.360 nan 0.000 0.416 345 S N 2.127 117.928 115.700 0.168 0.000 2.600 345 S HA 0.461 4.934 4.470 0.005 0.000 0.265 345 S C -0.343 174.401 174.600 0.240 0.000 1.325 345 S CA -0.455 57.867 58.200 0.204 0.000 1.002 345 S CB 0.610 63.964 63.200 0.257 0.000 0.921 345 S HN 0.516 nan 8.310 nan 0.000 0.554 346 F N 2.913 122.929 119.950 0.109 0.000 3.164 346 F HA 0.499 5.029 4.527 0.005 0.000 0.375 346 F C -1.348 174.480 175.800 0.046 0.000 1.257 346 F CA -0.679 57.291 58.000 -0.050 0.000 1.171 346 F CB 0.857 39.879 39.000 0.037 0.000 1.588 346 F HN 0.827 nan 8.300 nan 0.000 0.604 347 Y N 2.293 122.358 120.300 -0.392 0.000 2.638 347 Y HA 0.736 5.289 4.550 0.004 0.000 0.335 347 Y C -2.137 173.511 175.900 -0.420 0.000 1.155 347 Y CA -2.375 55.639 58.100 -0.143 0.000 1.046 347 Y CB 1.040 39.555 38.460 0.091 0.000 1.303 347 Y HN 0.223 nan 8.280 nan 0.000 0.460 348 F N 1.466 121.470 119.950 0.089 0.000 2.404 348 F HA 0.431 4.960 4.527 0.004 0.000 0.354 348 F C 0.123 176.036 175.800 0.189 0.000 1.122 348 F CA -0.512 57.482 58.000 -0.010 0.000 1.080 348 F CB 1.683 40.685 39.000 0.005 0.000 1.131 348 F HN 0.543 nan 8.300 nan 0.000 0.471 349 E N 2.861 123.196 120.200 0.226 0.000 2.134 349 E HA 0.522 4.875 4.350 0.005 0.000 0.278 349 E C -1.393 175.365 176.600 0.262 0.000 0.959 349 E CA -0.523 56.045 56.400 0.279 0.000 0.783 349 E CB 1.376 31.171 29.700 0.159 0.000 1.095 349 E HN 0.384 nan 8.360 nan 0.000 0.399 350 V N 5.353 125.484 119.914 0.361 0.000 2.444 350 V HA 0.190 4.313 4.120 0.005 0.000 0.294 350 V C -0.017 176.300 176.094 0.372 0.000 1.022 350 V CA -0.994 61.527 62.300 0.369 0.000 0.850 350 V CB 1.545 33.598 31.823 0.383 0.000 0.992 350 V HN 0.839 nan 8.190 nan 0.000 0.426 351 N N 3.957 122.817 118.700 0.266 0.000 2.721 351 N HA -0.226 4.517 4.740 0.005 0.000 0.249 351 N C 1.179 176.778 175.510 0.148 0.000 1.072 351 N CA 1.593 54.761 53.050 0.197 0.000 0.710 351 N CB -0.986 37.625 38.487 0.207 0.000 0.993 351 N HN 1.554 nan 8.380 nan 0.000 0.547 352 G N -1.556 107.335 108.800 0.152 0.000 2.176 352 G HA2 -0.303 3.660 3.960 0.005 0.000 0.253 352 G HA3 -0.303 3.660 3.960 0.005 0.000 0.253 352 G C 0.023 175.006 174.900 0.140 0.000 0.979 352 G CA 0.385 45.555 45.100 0.117 0.000 0.641 352 G HN 0.486 nan 8.290 nan 0.000 0.530 353 I N 1.441 122.134 120.570 0.205 0.000 2.389 353 I HA 0.379 4.552 4.170 0.005 0.000 0.288 353 I C -2.412 173.963 176.117 0.430 0.000 0.999 353 I CA -2.725 58.705 61.300 0.216 0.000 1.129 353 I CB 2.291 40.276 38.000 -0.024 0.000 1.288 353 I HN -0.219 nan 8.210 nan 0.000 0.444 354 P HA 0.039 nan 4.420 nan 0.000 0.261 354 P C -0.671 176.919 177.300 0.483 0.000 1.203 354 P CA 0.196 63.528 63.100 0.387 0.000 0.767 354 P CB 0.347 32.128 31.700 0.135 0.000 0.785 355 M N 5.772 125.622 119.600 0.417 0.000 2.072 355 M HA 0.342 4.825 4.480 0.005 0.000 0.331 355 M C -0.925 175.464 176.300 0.148 0.000 1.004 355 M CA -1.164 54.231 55.300 0.158 0.000 0.952 355 M CB 0.405 32.852 32.600 -0.255 0.000 1.511 355 M HN 0.121 nan 8.290 nan 0.000 0.422 356 F N 4.369 124.343 119.950 0.041 0.000 2.557 356 F HA 0.310 4.840 4.527 0.004 0.000 0.384 356 F C 0.298 176.032 175.800 -0.110 0.000 1.057 356 F CA -0.025 57.982 58.000 0.012 0.000 1.169 356 F CB 0.467 39.469 39.000 0.002 0.000 1.070 356 F HN 0.673 nan 8.300 nan 0.000 0.554 357 A N 7.224 129.802 122.820 -0.403 0.000 2.409 357 A HA 0.396 4.719 4.320 0.005 0.000 0.267 357 A C -0.393 176.939 177.584 -0.420 0.000 1.127 357 A CA -0.450 51.384 52.037 -0.339 0.000 0.795 357 A CB 0.187 19.096 19.000 -0.151 0.000 1.061 357 A HN 0.810 nan 8.150 nan 0.000 0.502 358 K N 2.076 122.205 120.400 -0.452 0.000 2.579 358 K HA 0.603 4.926 4.320 0.005 0.000 0.250 358 K C 0.069 176.215 176.600 -0.756 0.000 0.952 358 K CA -0.086 55.663 56.287 -0.896 0.000 0.857 358 K CB 2.157 33.876 32.500 -1.302 0.000 1.123 358 K HN 1.028 nan 8.250 nan 0.000 0.433 359 G N 0.997 109.523 108.800 -0.457 0.000 2.435 359 G HA2 0.730 4.693 3.960 0.005 0.000 0.296 359 G HA3 0.730 4.693 3.960 0.005 0.000 0.296 359 G C -1.831 172.869 174.900 -0.333 0.000 1.240 359 G CA -0.252 44.695 45.100 -0.254 0.000 0.872 359 G HN 0.611 nan 8.290 nan 0.000 0.480 360 A N -0.917 121.621 122.820 -0.470 0.000 2.593 360 A HA 0.784 5.107 4.320 0.005 0.000 0.290 360 A C -1.114 176.173 177.584 -0.495 0.000 1.126 360 A CA -0.756 50.818 52.037 -0.772 0.000 0.695 360 A CB 1.208 19.502 19.000 -1.177 0.000 1.290 360 A HN 0.551 nan 8.150 nan 0.000 0.414 361 N N 0.642 119.013 118.700 -0.549 0.000 2.455 361 N HA 0.329 5.072 4.740 0.005 0.000 0.280 361 N C -1.577 173.581 175.510 -0.587 0.000 1.055 361 N CA 0.189 52.954 53.050 -0.474 0.000 0.961 361 N CB 1.436 39.632 38.487 -0.486 0.000 1.121 361 N HN 0.640 nan 8.380 nan 0.000 0.476 362 Y N 3.665 123.680 120.300 -0.476 0.000 2.342 362 Y HA 0.467 5.020 4.550 0.005 0.000 0.334 362 Y C -0.024 175.617 175.900 -0.432 0.000 1.067 362 Y CA -0.777 57.057 58.100 -0.443 0.000 1.128 362 Y CB 0.606 38.918 38.460 -0.248 0.000 1.200 362 Y HN 0.447 nan 8.280 nan 0.000 0.464 363 I N 3.434 123.229 120.570 -1.291 0.000 3.133 363 I HA 0.734 4.907 4.170 0.005 0.000 0.311 363 I C -2.808 172.555 176.117 -1.255 0.000 1.072 363 I CA -3.326 57.336 61.300 -1.063 0.000 1.015 363 I CB 1.848 39.068 38.000 -1.301 0.000 1.233 363 I HN 0.379 nan 8.210 nan 0.000 0.473 364 P HA 0.051 nan 4.420 nan 0.000 0.264 364 P C -0.573 176.457 177.300 -0.449 0.000 1.183 364 P CA 0.270 63.015 63.100 -0.592 0.000 0.763 364 P CB 0.403 31.601 31.700 -0.837 0.000 0.807 365 Q N 0.726 120.375 119.800 -0.251 0.000 2.482 365 Q HA 0.024 4.367 4.340 0.005 0.000 0.209 365 Q C 0.242 176.289 176.000 0.078 0.000 0.961 365 Q CA 0.869 56.582 55.803 -0.149 0.000 0.945 365 Q CB 0.209 28.850 28.738 -0.162 0.000 1.012 365 Q HN 0.509 nan 8.270 nan 0.000 0.515 366 D N -2.365 118.123 120.400 0.147 0.000 2.706 366 D HA 0.211 4.854 4.640 0.005 0.000 0.225 366 D C -0.511 175.992 176.300 0.339 0.000 1.241 366 D CA -0.087 54.103 54.000 0.316 0.000 0.784 366 D CB 1.442 42.439 40.800 0.329 0.000 1.521 366 D HN -0.072 nan 8.370 nan 0.000 0.461 367 A N 2.259 125.285 122.820 0.343 0.000 2.070 367 A HA 0.049 4.372 4.320 0.005 0.000 0.220 367 A C 0.940 178.571 177.584 0.077 0.000 1.159 367 A CA 0.934 53.097 52.037 0.209 0.000 0.656 367 A CB -0.088 18.980 19.000 0.114 0.000 0.800 367 A HN 0.448 nan 8.150 nan 0.000 0.453 368 L N 0.336 121.637 121.223 0.130 0.000 2.366 368 L HA 0.299 4.642 4.340 0.005 0.000 0.266 368 L C 0.503 177.454 176.870 0.135 0.000 1.010 368 L CA -0.500 54.367 54.840 0.046 0.000 0.879 368 L CB 1.398 43.444 42.059 -0.021 0.000 1.228 368 L HN 0.191 nan 8.230 nan 0.000 0.439 369 L N 2.868 124.192 121.223 0.168 0.000 2.079 369 L HA -0.121 4.222 4.340 0.005 0.000 0.210 369 L C -0.496 176.551 176.870 0.295 0.000 1.081 369 L CA 1.456 56.463 54.840 0.279 0.000 0.752 369 L CB -1.149 41.142 42.059 0.386 0.000 0.896 369 L HN 0.509 nan 8.230 nan 0.000 0.433 370 P HA -0.036 nan 4.420 nan 0.000 0.237 370 P C 0.694 178.081 177.300 0.144 0.000 1.178 370 P CA 0.801 64.016 63.100 0.192 0.000 0.766 370 P CB -0.042 31.732 31.700 0.122 0.000 0.876 371 N N -0.818 117.963 118.700 0.135 0.000 2.494 371 N HA -0.018 4.725 4.740 0.005 0.000 0.182 371 N C 0.019 175.609 175.510 0.133 0.000 1.076 371 N CA 0.391 53.513 53.050 0.120 0.000 0.908 371 N CB -0.336 38.224 38.487 0.121 0.000 0.967 371 N HN 0.032 nan 8.380 nan 0.000 0.449 372 V N 2.269 122.277 119.914 0.155 0.000 2.405 372 V HA 0.092 4.215 4.120 0.005 0.000 0.264 372 V C 0.871 177.090 176.094 0.207 0.000 1.048 372 V CA -0.474 61.891 62.300 0.107 0.000 0.966 372 V CB 0.109 31.924 31.823 -0.013 0.000 1.015 372 V HN 0.216 nan 8.190 nan 0.000 0.477 373 T N 1.164 115.812 114.554 0.155 0.000 2.849 373 T HA 0.146 4.499 4.350 0.005 0.000 0.284 373 T C 1.375 176.244 174.700 0.282 0.000 1.004 373 T CA -0.030 62.181 62.100 0.185 0.000 1.021 373 T CB 1.198 70.136 68.868 0.117 0.000 1.013 373 T HN 0.540 nan 8.240 nan 0.000 0.527 374 T N 0.352 115.043 114.554 0.228 0.000 2.737 374 T HA -0.158 4.195 4.350 0.005 0.000 0.269 374 T C 1.717 176.537 174.700 0.200 0.000 1.040 374 T CA 1.833 64.061 62.100 0.213 0.000 1.142 374 T CB -0.400 68.535 68.868 0.111 0.000 0.861 374 T HN 0.853 nan 8.240 nan 0.000 0.456 375 E N 0.906 121.191 120.200 0.141 0.000 2.072 375 E HA -0.158 4.195 4.350 0.005 0.000 0.191 375 E C 2.373 179.037 176.600 0.107 0.000 0.985 375 E CA 0.893 57.357 56.400 0.107 0.000 0.801 375 E CB -0.047 29.698 29.700 0.076 0.000 0.750 375 E HN 0.416 nan 8.360 nan 0.000 0.452 376 R N -0.776 119.780 120.500 0.093 0.000 2.073 376 R HA -0.147 4.196 4.340 0.005 0.000 0.234 376 R C 2.364 178.690 176.300 0.043 0.000 1.134 376 R CA 1.804 57.917 56.100 0.021 0.000 0.952 376 R CB -0.382 29.890 30.300 -0.048 0.000 0.850 376 R HN 0.282 nan 8.270 nan 0.000 0.433 377 Y N 1.057 121.425 120.300 0.113 0.000 2.181 377 Y HA -0.255 4.298 4.550 0.005 0.000 0.288 377 Y C 2.545 178.553 175.900 0.180 0.000 1.146 377 Y CA 1.609 59.810 58.100 0.168 0.000 1.164 377 Y CB -0.229 38.333 38.460 0.169 0.000 0.982 377 Y HN 0.140 nan 8.280 nan 0.000 0.515 378 Q N -0.887 119.076 119.800 0.272 0.000 2.096 378 Q HA -0.182 4.161 4.340 0.005 0.000 0.204 378 Q C 2.165 178.263 176.000 0.164 0.000 0.982 378 Q CA 2.186 58.098 55.803 0.181 0.000 0.850 378 Q CB -0.399 28.406 28.738 0.111 0.000 0.901 378 Q HN 0.416 nan 8.270 nan 0.000 0.422 379 T N 1.248 115.876 114.554 0.122 0.000 2.746 379 T HA -0.136 4.217 4.350 0.005 0.000 0.267 379 T C 1.686 176.425 174.700 0.065 0.000 1.039 379 T CA 0.825 62.979 62.100 0.090 0.000 1.142 379 T CB -0.237 68.666 68.868 0.060 0.000 0.866 379 T HN 0.078 nan 8.240 nan 0.000 0.444 380 L N 0.353 121.590 121.223 0.024 0.000 2.042 380 L HA 0.041 4.384 4.340 0.005 0.000 0.210 380 L C 1.917 178.666 176.870 -0.202 0.000 1.076 380 L CA 1.619 56.392 54.840 -0.111 0.000 0.749 380 L CB -0.902 41.066 42.059 -0.152 0.000 0.893 380 L HN 0.218 nan 8.230 nan 0.000 0.432 381 F N -0.689 119.212 119.950 -0.083 0.000 2.206 381 F HA -0.103 4.426 4.527 0.005 0.000 0.298 381 F C 2.691 178.465 175.800 -0.043 0.000 1.090 381 F CA 1.329 59.260 58.000 -0.116 0.000 1.323 381 F CB -0.339 38.562 39.000 -0.165 0.000 1.028 381 F HN 0.041 nan 8.300 nan 0.000 0.492 382 R N 0.654 121.253 120.500 0.166 0.000 2.091 382 R HA -0.189 4.154 4.340 0.005 0.000 0.238 382 R C 1.603 178.003 176.300 0.166 0.000 1.136 382 R CA 2.155 58.342 56.100 0.144 0.000 0.959 382 R CB -0.408 29.972 30.300 0.133 0.000 0.856 382 R HN 0.163 nan 8.270 nan 0.000 0.437 383 D N 0.038 120.514 120.400 0.126 0.000 2.178 383 D HA -0.146 4.497 4.640 0.005 0.000 0.202 383 D C 1.940 178.275 176.300 0.057 0.000 0.974 383 D CA 1.308 55.373 54.000 0.110 0.000 0.841 383 D CB -0.073 40.624 40.800 -0.173 0.000 0.953 383 D HN 0.372 nan 8.370 nan 0.000 0.478 384 M N 0.140 119.715 119.600 -0.041 0.000 2.123 384 M HA -0.076 4.407 4.480 0.005 0.000 0.263 384 M C 2.232 178.534 176.300 0.004 0.000 1.069 384 M CA 0.970 56.231 55.300 -0.065 0.000 1.133 384 M CB -0.087 32.378 32.600 -0.226 0.000 1.356 384 M HN -0.155 nan 8.290 nan 0.000 0.415 385 K N 0.828 121.255 120.400 0.045 0.000 2.063 385 K HA -0.190 4.133 4.320 0.005 0.000 0.208 385 K C 1.610 178.262 176.600 0.087 0.000 1.048 385 K CA 1.573 57.896 56.287 0.060 0.000 0.928 385 K CB -0.011 32.536 32.500 0.078 0.000 0.713 385 K HN 0.378 nan 8.250 nan 0.000 0.442 386 E N -0.576 119.713 120.200 0.149 0.000 2.204 386 E HA -0.109 4.244 4.350 0.005 0.000 0.194 386 E C 1.161 177.878 176.600 0.195 0.000 0.989 386 E CA 0.708 57.240 56.400 0.219 0.000 0.824 386 E CB 0.087 30.011 29.700 0.373 0.000 0.756 386 E HN 0.318 nan 8.360 nan 0.000 0.477 387 A N 1.013 123.882 122.820 0.082 0.000 2.370 387 A HA 0.031 4.354 4.320 0.005 0.000 0.238 387 A C 0.143 177.776 177.584 0.081 0.000 1.289 387 A CA -0.171 51.840 52.037 -0.043 0.000 0.885 387 A CB -0.077 18.669 19.000 -0.423 0.000 0.961 387 A HN 0.202 nan 8.150 nan 0.000 0.499 388 N N -1.115 117.634 118.700 0.081 0.000 2.782 388 N HA -0.151 4.592 4.740 0.005 0.000 0.251 388 N C -0.159 175.347 175.510 -0.007 0.000 1.101 388 N CA 1.298 54.388 53.050 0.066 0.000 0.764 388 N CB -1.685 36.877 38.487 0.124 0.000 1.122 388 N HN 0.645 nan 8.380 nan 0.000 0.561 389 M N 0.577 120.161 119.600 -0.028 0.000 2.228 389 M HA 0.121 4.604 4.480 0.005 0.000 0.326 389 M C 1.425 177.618 176.300 -0.177 0.000 1.122 389 M CA 0.269 55.476 55.300 -0.155 0.000 1.161 389 M CB 0.390 32.919 32.600 -0.118 0.000 1.437 389 M HN 0.163 nan 8.290 nan 0.000 0.465 390 N N 0.751 119.305 118.700 -0.244 0.000 2.118 390 N HA 0.284 5.027 4.740 0.005 0.000 0.226 390 N C -0.614 174.787 175.510 -0.182 0.000 1.305 390 N CA -0.226 52.696 53.050 -0.215 0.000 0.890 390 N CB 0.791 39.097 38.487 -0.302 0.000 1.118 390 N HN 0.711 nan 8.380 nan 0.000 0.511 391 M N 0.273 119.756 119.600 -0.194 0.000 2.520 391 M HA 0.548 5.031 4.480 0.005 0.000 0.280 391 M C -2.129 174.086 176.300 -0.143 0.000 1.232 391 M CA -0.933 54.275 55.300 -0.153 0.000 0.892 391 M CB 2.536 35.020 32.600 -0.194 0.000 1.728 391 M HN -0.176 nan 8.290 nan 0.000 0.475 392 V N 3.563 123.427 119.914 -0.083 0.000 2.760 392 V HA 0.638 4.761 4.120 0.005 0.000 0.309 392 V C -1.504 174.579 176.094 -0.019 0.000 1.077 392 V CA -0.620 61.622 62.300 -0.097 0.000 0.910 392 V CB 2.337 34.084 31.823 -0.127 0.000 1.008 392 V HN 0.977 nan 8.190 nan 0.000 0.424 393 R N 6.062 126.502 120.500 -0.100 0.000 2.229 393 R HA 0.561 4.904 4.340 0.005 0.000 0.328 393 R C -0.832 175.468 176.300 0.000 0.000 1.009 393 R CA -0.521 55.503 56.100 -0.127 0.000 0.864 393 R CB 0.898 30.906 30.300 -0.486 0.000 1.085 393 R HN 0.771 nan 8.270 nan 0.000 0.453 394 I N 6.056 126.670 120.570 0.073 0.000 2.278 394 I HA 0.094 4.267 4.170 0.005 0.000 0.296 394 I C -0.040 176.162 176.117 0.143 0.000 1.121 394 I CA -0.500 60.852 61.300 0.086 0.000 1.267 394 I CB 0.124 38.081 38.000 -0.071 0.000 1.447 394 I HN 0.619 nan 8.210 nan 0.000 0.509 395 W N 5.964 127.240 121.300 -0.041 0.000 2.158 395 W HA 0.283 4.946 4.660 0.005 0.000 0.339 395 W C 1.383 177.891 176.519 -0.019 0.000 1.294 395 W CA -0.331 57.026 57.345 0.019 0.000 1.231 395 W CB 0.931 30.464 29.460 0.122 0.000 1.143 395 W HN 0.573 nan 8.180 nan 0.000 0.571 396 G N 2.640 111.078 108.800 -0.604 0.000 2.586 396 G HA2 -0.083 3.880 3.960 0.005 0.000 0.215 396 G HA3 -0.083 3.880 3.960 0.005 0.000 0.215 396 G C 1.070 175.419 174.900 -0.918 0.000 1.128 396 G CA 0.584 45.301 45.100 -0.638 0.000 0.774 396 G HN 0.861 nan 8.290 nan 0.000 0.543 397 G N -0.488 107.253 108.800 -1.766 0.000 3.088 397 G HA2 0.430 4.393 3.960 0.005 0.000 0.217 397 G HA3 0.430 4.393 3.960 0.005 0.000 0.217 397 G C 0.896 175.509 174.900 -0.479 0.000 1.159 397 G CA 0.711 44.989 45.100 -1.371 0.000 0.760 397 G HN 0.530 nan 8.290 nan 0.000 0.550 398 G N 0.242 108.849 108.800 -0.322 0.000 3.329 398 G HA2 0.483 4.446 3.960 0.005 0.000 0.180 398 G HA3 0.483 4.446 3.960 0.005 0.000 0.180 398 G C 0.274 175.127 174.900 -0.079 0.000 1.640 398 G CA 0.713 45.718 45.100 -0.158 0.000 1.018 398 G HN 0.603 nan 8.290 nan 0.000 0.581 399 T N -3.118 111.396 114.554 -0.067 0.000 2.887 399 T HA 0.570 4.923 4.350 0.005 0.000 0.292 399 T C -1.141 173.484 174.700 -0.126 0.000 1.087 399 T CA -0.769 61.344 62.100 0.022 0.000 1.009 399 T CB 1.452 70.535 68.868 0.359 0.000 1.203 399 T HN 0.292 nan 8.240 nan 0.000 0.518 400 Y N 1.296 121.658 120.300 0.103 0.000 2.496 400 Y HA 0.350 4.903 4.550 0.005 0.000 0.334 400 Y C 1.397 177.458 175.900 0.268 0.000 1.080 400 Y CA -0.587 57.604 58.100 0.151 0.000 1.355 400 Y CB 0.300 38.850 38.460 0.151 0.000 1.193 400 Y HN 0.519 nan 8.280 nan 0.000 0.523 401 E N 2.710 123.115 120.200 0.342 0.000 2.397 401 E HA -0.000 4.353 4.350 0.005 0.000 0.254 401 E C 0.035 176.872 176.600 0.396 0.000 1.231 401 E CA -0.320 56.201 56.400 0.202 0.000 0.954 401 E CB 0.481 29.880 29.700 -0.501 0.000 1.024 401 E HN 0.748 nan 8.360 nan 0.000 0.481 402 N N 1.027 119.880 118.700 0.256 0.000 2.381 402 N HA -0.018 4.725 4.740 0.005 0.000 0.254 402 N C 0.496 176.128 175.510 0.204 0.000 1.264 402 N CA -0.186 52.964 53.050 0.166 0.000 0.942 402 N CB 0.269 38.779 38.487 0.040 0.000 1.190 402 N HN 0.221 nan 8.380 nan 0.000 0.495 403 N N -0.048 118.725 118.700 0.122 0.000 2.104 403 N HA -0.154 4.589 4.740 0.005 0.000 0.190 403 N C 1.525 177.077 175.510 0.070 0.000 1.024 403 N CA 0.707 53.847 53.050 0.150 0.000 0.853 403 N CB -0.636 37.917 38.487 0.111 0.000 1.008 403 N HN 0.516 nan 8.380 nan 0.000 0.424 404 L N 0.831 122.013 121.223 -0.069 0.000 1.997 404 L HA -0.174 4.169 4.340 0.005 0.000 0.216 404 L C 2.128 178.842 176.870 -0.260 0.000 1.074 404 L CA 1.496 56.218 54.840 -0.197 0.000 0.763 404 L CB -1.163 40.685 42.059 -0.352 0.000 0.890 404 L HN 0.107 nan 8.230 nan 0.000 0.434 405 F N -0.883 118.806 119.950 -0.435 0.000 2.063 405 F HA -0.369 4.161 4.527 0.005 0.000 0.298 405 F C 2.138 177.629 175.800 -0.515 0.000 1.109 405 F CA 2.175 59.962 58.000 -0.354 0.000 1.212 405 F CB -0.469 38.342 39.000 -0.315 0.000 0.973 405 F HN 0.201 nan 8.300 nan 0.000 0.480 406 Y N 0.123 120.346 120.300 -0.130 0.000 2.314 406 Y HA -0.165 4.388 4.550 0.005 0.000 0.293 406 Y C 2.318 177.883 175.900 -0.559 0.000 1.129 406 Y CA 1.101 58.926 58.100 -0.458 0.000 1.201 406 Y CB -0.753 37.139 38.460 -0.946 0.000 0.999 406 Y HN 0.053 nan 8.280 nan 0.000 0.541 407 D N 0.164 120.417 120.400 -0.245 0.000 2.144 407 D HA -0.146 4.497 4.640 0.005 0.000 0.199 407 D C 2.076 178.212 176.300 -0.275 0.000 0.984 407 D CA 1.187 55.120 54.000 -0.110 0.000 0.834 407 D CB -0.241 40.535 40.800 -0.041 0.000 0.955 407 D HN 0.328 nan 8.370 nan 0.000 0.465 408 L N 0.444 121.312 121.223 -0.591 0.000 2.095 408 L HA -0.040 4.303 4.340 0.005 0.000 0.204 408 L C 2.567 178.795 176.870 -1.070 0.000 1.080 408 L CA 0.829 55.113 54.840 -0.927 0.000 0.759 408 L CB -0.399 40.813 42.059 -1.412 0.000 0.914 408 L HN -0.057 nan 8.230 nan 0.000 0.439 409 A N 0.379 122.489 122.820 -1.184 0.000 1.873 409 A HA -0.296 4.027 4.320 0.005 0.000 0.218 409 A C 1.920 179.473 177.584 -0.052 0.000 1.193 409 A CA 2.338 54.124 52.037 -0.419 0.000 0.629 409 A CB -0.717 18.164 19.000 -0.198 0.000 0.826 409 A HN 0.373 nan 8.150 nan 0.000 0.447 410 D N -0.265 120.119 120.400 -0.027 0.000 2.103 410 D HA -0.195 4.448 4.640 0.005 0.000 0.190 410 D C 2.003 178.507 176.300 0.339 0.000 0.997 410 D CA 1.834 55.953 54.000 0.199 0.000 0.833 410 D CB -0.533 40.336 40.800 0.114 0.000 0.961 410 D HN 0.883 nan 8.370 nan 0.000 0.447 411 E N -0.155 120.098 120.200 0.088 0.000 2.427 411 E HA -0.028 4.325 4.350 0.005 0.000 0.196 411 E C 1.065 177.671 176.600 0.011 0.000 1.028 411 E CA 0.498 56.936 56.400 0.063 0.000 0.864 411 E CB -0.106 29.593 29.700 -0.002 0.000 0.813 411 E HN 0.183 nan 8.360 nan 0.000 0.514 412 N N 0.624 119.317 118.700 -0.012 0.000 2.236 412 N HA 0.053 4.796 4.740 0.005 0.000 0.196 412 N C 0.569 176.074 175.510 -0.009 0.000 1.114 412 N CA 0.679 53.727 53.050 -0.003 0.000 0.859 412 N CB 1.258 39.767 38.487 0.037 0.000 0.982 412 N HN 0.371 nan 8.380 nan 0.000 0.493 413 G N 1.650 110.464 108.800 0.025 0.000 2.221 413 G HA2 -0.221 3.742 3.960 0.005 0.000 0.265 413 G HA3 -0.221 3.742 3.960 0.005 0.000 0.265 413 G C -0.216 174.691 174.900 0.012 0.000 1.041 413 G CA -0.160 44.839 45.100 -0.169 0.000 0.807 413 G HN 0.190 nan 8.290 nan 0.000 0.502 414 I N 0.414 121.097 120.570 0.188 0.000 2.339 414 I HA 0.441 4.614 4.170 0.005 0.000 0.290 414 I C 0.760 176.994 176.117 0.195 0.000 0.994 414 I CA -1.569 59.806 61.300 0.126 0.000 1.191 414 I CB 1.095 39.176 38.000 0.135 0.000 1.343 414 I HN -0.074 nan 8.210 nan 0.000 0.458 415 L N 6.737 128.035 121.223 0.127 0.000 2.439 415 L HA 0.247 4.590 4.340 0.005 0.000 0.269 415 L C 0.185 177.082 176.870 0.046 0.000 1.179 415 L CA 0.157 55.050 54.840 0.088 0.000 0.828 415 L CB 0.749 42.791 42.059 -0.028 0.000 1.106 415 L HN 0.242 nan 8.230 nan 0.000 0.467 416 V N 1.862 121.815 119.914 0.065 0.000 2.378 416 V HA 0.239 4.362 4.120 0.005 0.000 0.288 416 V C -0.920 175.265 176.094 0.151 0.000 1.016 416 V CA -0.682 61.688 62.300 0.117 0.000 0.840 416 V CB 1.540 33.462 31.823 0.164 0.000 0.994 416 V HN 0.710 nan 8.190 nan 0.000 0.431 417 W N 6.048 127.340 121.300 -0.013 0.000 2.308 417 W HA 0.532 5.195 4.660 0.005 0.000 0.311 417 W C -0.420 176.086 176.519 -0.021 0.000 1.088 417 W CA -1.151 56.210 57.345 0.026 0.000 1.309 417 W CB 1.287 30.818 29.460 0.117 0.000 1.229 417 W HN 0.624 nan 8.180 nan 0.000 0.427 418 Q N 4.758 124.645 119.800 0.145 0.000 2.390 418 Q HA 0.193 4.536 4.340 0.005 0.000 0.249 418 Q C -0.701 175.373 176.000 0.123 0.000 0.996 418 Q CA -0.057 55.742 55.803 -0.007 0.000 0.899 418 Q CB 0.459 28.881 28.738 -0.527 0.000 1.216 418 Q HN 0.289 nan 8.270 nan 0.000 0.465 419 D N 2.831 123.386 120.400 0.258 0.000 2.372 419 D HA 0.112 4.755 4.640 0.005 0.000 0.243 419 D C -0.398 175.975 176.300 0.122 0.000 1.121 419 D CA 0.200 54.351 54.000 0.252 0.000 0.898 419 D CB 0.395 41.300 40.800 0.175 0.000 1.202 419 D HN 0.403 nan 8.370 nan 0.000 0.428 420 F N 0.688 120.887 119.950 0.415 0.000 2.406 420 F HA 0.116 4.646 4.527 0.005 0.000 0.327 420 F C 1.426 177.214 175.800 -0.020 0.000 1.153 420 F CA -0.408 57.831 58.000 0.399 0.000 1.218 420 F CB 0.420 39.811 39.000 0.651 0.000 1.215 420 F HN 0.052 nan 8.300 nan 0.000 0.570 421 M N 3.739 123.134 119.600 -0.341 0.000 3.706 421 M HA 0.175 4.658 4.480 0.005 0.000 0.204 421 M C -1.484 174.280 176.300 -0.893 0.000 1.455 421 M CA 0.355 55.187 55.300 -0.780 0.000 1.659 421 M CB -1.770 30.046 32.600 -1.308 0.000 1.076 421 M HN 0.281 nan 8.290 nan 0.000 0.577 422 F N 0.416 120.271 119.950 -0.159 0.000 2.547 422 F HA 0.716 5.246 4.527 0.005 0.000 0.316 422 F C -0.101 175.705 175.800 0.009 0.000 1.121 422 F CA -0.986 56.906 58.000 -0.181 0.000 0.911 422 F CB 1.810 40.713 39.000 -0.162 0.000 1.179 422 F HN 0.295 nan 8.300 nan 0.000 0.443 423 A N 1.232 124.300 122.820 0.414 0.000 2.437 423 A HA 0.607 4.930 4.320 0.005 0.000 0.293 423 A C 0.090 177.996 177.584 0.536 0.000 1.038 423 A CA -0.679 51.548 52.037 0.316 0.000 0.708 423 A CB 0.752 19.719 19.000 -0.055 0.000 1.251 423 A HN 1.109 nan 8.150 nan 0.000 0.409 424 C N 0.140 119.709 119.300 0.448 0.000 5.082 424 C HA -0.132 4.331 4.460 0.005 0.000 0.267 424 C C 0.992 176.234 174.990 0.420 0.000 1.720 424 C CA 1.659 60.958 59.018 0.467 0.000 1.665 424 C CB -2.277 25.827 27.740 0.607 0.000 2.220 424 C HN 1.571 nan 8.230 nan 0.000 0.596 425 T N 0.760 115.527 114.554 0.356 0.000 2.909 425 T HA 0.615 4.968 4.350 0.005 0.000 0.299 425 T C -2.775 172.093 174.700 0.280 0.000 1.073 425 T CA -1.272 60.977 62.100 0.247 0.000 0.999 425 T CB 2.407 71.259 68.868 -0.027 0.000 1.098 425 T HN 0.065 nan 8.240 nan 0.000 0.477 426 P HA 0.227 nan 4.420 nan 0.000 0.269 426 P C -1.288 176.119 177.300 0.178 0.000 1.215 426 P CA -0.080 63.252 63.100 0.387 0.000 0.780 426 P CB 0.444 32.346 31.700 0.337 0.000 0.898 427 Y N 0.627 121.046 120.300 0.199 0.000 2.587 427 Y HA 0.427 4.980 4.550 0.005 0.000 0.337 427 Y C -1.589 174.197 175.900 -0.190 0.000 1.065 427 Y CA -2.410 55.609 58.100 -0.136 0.000 1.126 427 Y CB 0.805 39.386 38.460 0.202 0.000 1.279 427 Y HN 0.284 nan 8.280 nan 0.000 0.489 428 P HA -0.010 nan 4.420 nan 0.000 0.270 428 P C -0.280 177.010 177.300 -0.017 0.000 1.221 428 P CA 0.377 63.313 63.100 -0.273 0.000 0.788 428 P CB 0.490 31.756 31.700 -0.723 0.000 0.904 429 S N -2.343 113.419 115.700 0.102 0.000 3.093 429 S HA 0.095 4.568 4.470 0.005 0.000 0.251 429 S C -0.049 174.633 174.600 0.136 0.000 0.905 429 S CA -0.715 57.577 58.200 0.153 0.000 1.124 429 S CB -0.683 62.560 63.200 0.072 0.000 1.124 429 S HN 0.489 nan 8.310 nan 0.000 0.574 430 D N 1.709 122.202 120.400 0.155 0.000 2.368 430 D HA 0.136 4.779 4.640 0.005 0.000 0.240 430 D C -1.884 174.493 176.300 0.128 0.000 1.169 430 D CA -0.990 53.085 54.000 0.126 0.000 0.906 430 D CB 0.504 41.378 40.800 0.124 0.000 1.187 430 D HN -0.037 nan 8.370 nan 0.000 0.435 431 P HA -0.168 nan 4.420 nan 0.000 0.216 431 P C 1.429 178.774 177.300 0.074 0.000 1.157 431 P CA 1.749 64.881 63.100 0.054 0.000 0.880 431 P CB 0.013 31.732 31.700 0.032 0.000 0.791 432 T N -1.753 112.864 114.554 0.106 0.000 2.904 432 T HA -0.100 4.253 4.350 0.005 0.000 0.267 432 T C 1.412 176.209 174.700 0.162 0.000 1.059 432 T CA 0.734 62.903 62.100 0.114 0.000 1.137 432 T CB -0.795 68.145 68.868 0.120 0.000 0.879 432 T HN 0.007 nan 8.240 nan 0.000 0.467 433 F N 1.614 121.602 119.950 0.063 0.000 2.113 433 F HA 0.059 4.589 4.527 0.005 0.000 0.297 433 F C 1.857 177.681 175.800 0.040 0.000 1.103 433 F CA 1.046 59.096 58.000 0.083 0.000 1.248 433 F CB -0.394 38.671 39.000 0.109 0.000 0.999 433 F HN 0.047 nan 8.300 nan 0.000 0.475 434 L N -0.283 120.972 121.223 0.053 0.000 2.083 434 L HA -0.245 4.098 4.340 0.005 0.000 0.209 434 L C 2.654 179.442 176.870 -0.136 0.000 1.083 434 L CA 1.491 56.269 54.840 -0.104 0.000 0.752 434 L CB -0.981 41.039 42.059 -0.064 0.000 0.899 434 L HN -0.046 nan 8.230 nan 0.000 0.433 435 K N 0.047 120.406 120.400 -0.068 0.000 2.032 435 K HA -0.212 4.111 4.320 0.005 0.000 0.209 435 K C 2.223 178.773 176.600 -0.084 0.000 1.048 435 K CA 1.664 57.914 56.287 -0.062 0.000 0.927 435 K CB -0.331 32.159 32.500 -0.017 0.000 0.712 435 K HN 0.268 nan 8.250 nan 0.000 0.441 436 R N -0.306 120.139 120.500 -0.091 0.000 2.083 436 R HA -0.092 4.251 4.340 0.005 0.000 0.237 436 R C 2.267 178.477 176.300 -0.150 0.000 1.137 436 R CA 2.015 58.055 56.100 -0.099 0.000 0.951 436 R CB -0.633 29.604 30.300 -0.105 0.000 0.851 436 R HN 0.224 nan 8.270 nan 0.000 0.434 437 V N 0.674 120.432 119.914 -0.259 0.000 2.358 437 V HA -0.226 3.896 4.120 0.005 0.000 0.246 437 V C 2.244 178.231 176.094 -0.179 0.000 1.047 437 V CA 2.079 64.255 62.300 -0.207 0.000 1.035 437 V CB -0.537 31.113 31.823 -0.287 0.000 0.658 437 V HN 0.470 nan 8.190 nan 0.000 0.452 438 E N 0.408 120.489 120.200 -0.197 0.000 2.058 438 E HA -0.280 4.073 4.350 0.005 0.000 0.194 438 E C 2.265 178.763 176.600 -0.170 0.000 0.997 438 E CA 1.608 57.893 56.400 -0.192 0.000 0.801 438 E CB -0.234 29.374 29.700 -0.152 0.000 0.746 438 E HN 0.556 nan 8.360 nan 0.000 0.450 439 A N 1.431 124.175 122.820 -0.127 0.000 1.865 439 A HA -0.300 4.023 4.320 0.005 0.000 0.217 439 A C 2.110 179.631 177.584 -0.106 0.000 1.191 439 A CA 1.994 53.964 52.037 -0.112 0.000 0.623 439 A CB -0.844 18.109 19.000 -0.079 0.000 0.826 439 A HN 0.542 nan 8.150 nan 0.000 0.444 440 E N -0.146 120.007 120.200 -0.078 0.000 2.070 440 E HA -0.198 4.155 4.350 0.005 0.000 0.197 440 E C 2.107 178.645 176.600 -0.103 0.000 1.004 440 E CA 1.441 57.823 56.400 -0.030 0.000 0.805 440 E CB -0.309 29.428 29.700 0.062 0.000 0.744 440 E HN 0.535 nan 8.360 nan 0.000 0.451 441 A N 0.540 123.274 122.820 -0.142 0.000 1.873 441 A HA -0.105 4.218 4.320 0.005 0.000 0.215 441 A C 2.459 179.860 177.584 -0.305 0.000 1.186 441 A CA 1.433 53.363 52.037 -0.179 0.000 0.616 441 A CB -0.733 18.069 19.000 -0.329 0.000 0.823 441 A HN 0.230 nan 8.150 nan 0.000 0.442 442 V N -1.120 118.572 119.914 -0.370 0.000 2.332 442 V HA -0.315 3.808 4.120 0.005 0.000 0.248 442 V C 2.381 178.203 176.094 -0.454 0.000 1.055 442 V CA 2.310 64.245 62.300 -0.609 0.000 1.038 442 V CB -1.084 30.346 31.823 -0.654 0.000 0.651 442 V HN 0.719 nan 8.190 nan 0.000 0.450 443 Y N 1.670 121.748 120.300 -0.369 0.000 2.114 443 Y HA -0.213 4.340 4.550 0.005 0.000 0.284 443 Y C 2.538 178.277 175.900 -0.268 0.000 1.143 443 Y CA 2.124 60.049 58.100 -0.292 0.000 1.135 443 Y CB -0.366 37.949 38.460 -0.243 0.000 0.980 443 Y HN 0.271 nan 8.280 nan 0.000 0.499 444 N N 0.296 118.795 118.700 -0.335 0.000 2.270 444 N HA -0.115 4.628 4.740 0.005 0.000 0.181 444 N C 1.940 177.309 175.510 -0.234 0.000 1.016 444 N CA 1.552 54.383 53.050 -0.365 0.000 0.870 444 N CB -0.144 38.042 38.487 -0.501 0.000 0.979 444 N HN 0.431 nan 8.380 nan 0.000 0.431 445 I N 1.481 121.867 120.570 -0.305 0.000 2.142 445 I HA -0.246 3.927 4.170 0.005 0.000 0.240 445 I C 2.425 178.403 176.117 -0.232 0.000 1.078 445 I CA 1.210 62.361 61.300 -0.249 0.000 1.343 445 I CB -0.122 37.614 38.000 -0.441 0.000 1.046 445 I HN 0.021 nan 8.210 nan 0.000 0.405 446 R N 0.058 120.337 120.500 -0.369 0.000 2.096 446 R HA -0.169 4.174 4.340 0.005 0.000 0.235 446 R C 2.428 178.521 176.300 -0.345 0.000 1.127 446 R CA 1.171 57.055 56.100 -0.359 0.000 0.968 446 R CB -0.375 29.714 30.300 -0.352 0.000 0.861 446 R HN 0.297 nan 8.270 nan 0.000 0.440 447 R N 0.743 120.987 120.500 -0.428 0.000 2.096 447 R HA -0.092 4.251 4.340 0.005 0.000 0.235 447 R C 1.562 177.698 176.300 -0.273 0.000 1.127 447 R CA 1.320 57.183 56.100 -0.396 0.000 0.968 447 R CB 0.053 30.021 30.300 -0.554 0.000 0.861 447 R HN 0.217 nan 8.270 nan 0.000 0.440 448 L N -0.036 121.052 121.223 -0.224 0.000 2.701 448 L HA 0.165 4.508 4.340 0.005 0.000 0.238 448 L C 2.041 178.834 176.870 -0.128 0.000 1.106 448 L CA -0.099 54.636 54.840 -0.175 0.000 0.898 448 L CB 0.069 41.934 42.059 -0.324 0.000 1.188 448 L HN 0.161 nan 8.230 nan 0.000 0.508 449 R N -0.311 120.098 120.500 -0.152 0.000 2.280 449 R HA -0.019 4.324 4.340 0.005 0.000 0.207 449 R C 0.893 177.098 176.300 -0.158 0.000 1.043 449 R CA 0.888 56.923 56.100 -0.107 0.000 1.006 449 R CB -0.397 29.800 30.300 -0.172 0.000 0.885 449 R HN 0.319 nan 8.270 nan 0.000 0.467 450 N N 0.598 119.077 118.700 -0.370 0.000 2.398 450 N HA -0.016 4.727 4.740 0.005 0.000 0.188 450 N C -0.421 174.789 175.510 -0.499 0.000 1.122 450 N CA 0.257 53.001 53.050 -0.511 0.000 0.866 450 N CB 0.093 37.999 38.487 -0.967 0.000 0.970 450 N HN 0.316 nan 8.380 nan 0.000 0.462 451 H N 0.392 119.293 119.070 -0.282 0.000 2.646 451 H HA 0.206 4.765 4.556 0.005 0.000 0.325 451 H C 1.004 176.136 175.328 -0.327 0.000 1.075 451 H CA -0.266 55.630 56.048 -0.254 0.000 1.421 451 H CB 1.584 31.246 29.762 -0.166 0.000 1.461 451 H HN 0.044 nan 8.280 nan 0.000 0.525 452 A N 3.228 125.841 122.820 -0.345 0.000 1.978 452 A HA -0.214 4.109 4.320 0.005 0.000 0.220 452 A C 2.336 179.385 177.584 -0.891 0.000 1.170 452 A CA 1.929 53.491 52.037 -0.792 0.000 0.636 452 A CB -0.473 17.696 19.000 -1.385 0.000 0.810 452 A HN 0.734 nan 8.150 nan 0.000 0.448 453 S N -0.793 114.616 115.700 -0.486 0.000 2.406 453 S HA 0.043 4.516 4.470 0.005 0.000 0.228 453 S C 0.750 175.280 174.600 -0.116 0.000 1.020 453 S CA 0.447 58.515 58.200 -0.221 0.000 0.965 453 S CB -0.732 62.467 63.200 -0.002 0.000 0.798 453 S HN 0.422 nan 8.310 nan 0.000 0.488 454 L N 2.008 123.171 121.223 -0.100 0.000 2.562 454 L HA 0.467 4.810 4.340 0.005 0.000 0.271 454 L C 0.856 177.664 176.870 -0.103 0.000 1.167 454 L CA 0.228 55.006 54.840 -0.104 0.000 0.917 454 L CB 0.339 42.302 42.059 -0.160 0.000 1.187 454 L HN 0.223 nan 8.230 nan 0.000 0.482 455 A N 6.407 129.193 122.820 -0.056 0.000 2.070 455 A HA 0.465 4.788 4.320 0.005 0.000 0.202 455 A C 0.422 178.051 177.584 0.075 0.000 1.277 455 A CA 0.822 52.893 52.037 0.056 0.000 0.872 455 A CB 0.085 19.175 19.000 0.151 0.000 0.933 455 A HN 0.773 nan 8.150 nan 0.000 0.475 456 M N -4.225 115.350 119.600 -0.042 0.000 2.790 456 M HA 0.615 5.098 4.480 0.005 0.000 0.272 456 M C -2.318 173.829 176.300 -0.255 0.000 1.168 456 M CA -0.643 54.634 55.300 -0.040 0.000 0.829 456 M CB 0.923 33.548 32.600 0.042 0.000 1.675 456 M HN 0.063 nan 8.290 nan 0.000 0.505 457 W N 0.890 122.187 121.300 -0.004 0.000 2.551 457 W HA 0.763 5.426 4.660 0.005 0.000 0.330 457 W C -0.877 175.595 176.519 -0.078 0.000 1.063 457 W CA -0.334 57.013 57.345 0.003 0.000 1.222 457 W CB 1.957 31.540 29.460 0.205 0.000 1.349 457 W HN 0.856 nan 8.180 nan 0.000 0.536 458 C N 2.499 121.948 119.300 0.248 0.000 2.482 458 C HA 0.607 5.070 4.460 0.005 0.000 0.317 458 C C 1.501 176.720 174.990 0.381 0.000 1.197 458 C CA -0.019 59.069 59.018 0.116 0.000 1.432 458 C CB 0.409 28.347 27.740 0.330 0.000 2.062 458 C HN 0.983 nan 8.230 nan 0.000 0.471 459 G N 4.117 113.051 108.800 0.224 0.000 2.418 459 G HA2 0.037 4.000 3.960 0.005 0.000 0.217 459 G HA3 0.037 4.000 3.960 0.005 0.000 0.217 459 G C 0.288 175.456 174.900 0.447 0.000 1.158 459 G CA 1.400 46.868 45.100 0.613 0.000 0.771 459 G HN 1.057 nan 8.290 nan 0.000 0.545 460 N N -2.457 116.319 118.700 0.126 0.000 3.116 460 N HA 0.225 4.968 4.740 0.005 0.000 0.244 460 N C -1.576 173.999 175.510 0.108 0.000 1.485 460 N CA -0.947 52.145 53.050 0.071 0.000 0.884 460 N CB 0.586 38.888 38.487 -0.309 0.000 1.415 460 N HN -0.027 nan 8.380 nan 0.000 0.524 461 N N -0.080 118.686 118.700 0.109 0.000 2.439 461 N HA 0.239 4.982 4.740 0.005 0.000 0.249 461 N C -0.886 174.741 175.510 0.194 0.000 1.003 461 N CA -0.133 53.036 53.050 0.198 0.000 0.942 461 N CB 0.277 38.854 38.487 0.150 0.000 1.115 461 N HN 0.759 nan 8.380 nan 0.000 0.505 462 E N 1.453 121.729 120.200 0.127 0.000 3.253 462 E HA -0.287 4.066 4.350 0.005 0.000 0.284 462 E C 0.656 177.157 176.600 -0.166 0.000 0.958 462 E CA 0.663 57.059 56.400 -0.006 0.000 0.917 462 E CB -1.304 28.490 29.700 0.156 0.000 1.466 462 E HN 0.683 nan 8.360 nan 0.000 0.455 463 I N -0.211 120.329 120.570 -0.050 0.000 2.315 463 I HA -0.232 3.941 4.170 0.005 0.000 0.248 463 I C 2.370 178.383 176.117 -0.174 0.000 1.117 463 I CA 1.063 62.356 61.300 -0.011 0.000 1.404 463 I CB -0.208 37.890 38.000 0.164 0.000 1.071 463 I HN 0.159 nan 8.210 nan 0.000 0.419 464 L N 0.944 122.026 121.223 -0.236 0.000 2.109 464 L HA -0.154 4.189 4.340 0.005 0.000 0.207 464 L C 2.405 179.025 176.870 -0.416 0.000 1.086 464 L CA 1.741 56.311 54.840 -0.451 0.000 0.760 464 L CB -0.630 41.223 42.059 -0.342 0.000 0.910 464 L HN 0.209 nan 8.230 nan 0.000 0.437 465 E N -0.327 119.661 120.200 -0.353 0.000 2.049 465 E HA -0.305 4.048 4.350 0.005 0.000 0.198 465 E C 2.119 178.230 176.600 -0.814 0.000 1.007 465 E CA 1.561 57.736 56.400 -0.375 0.000 0.809 465 E CB -0.252 29.308 29.700 -0.233 0.000 0.749 465 E HN 0.603 nan 8.360 nan 0.000 0.450 466 A N 0.943 123.021 122.820 -1.236 0.000 1.892 466 A HA -0.214 4.109 4.320 0.005 0.000 0.218 466 A C 2.267 179.294 177.584 -0.929 0.000 1.188 466 A CA 1.627 52.748 52.037 -1.527 0.000 0.631 466 A CB -0.864 17.598 19.000 -0.896 0.000 0.822 466 A HN 0.365 nan 8.150 nan 0.000 0.447 467 L N -1.247 119.704 121.223 -0.454 0.000 2.083 467 L HA -0.192 4.151 4.340 0.005 0.000 0.209 467 L C 2.641 179.388 176.870 -0.206 0.000 1.083 467 L CA 1.770 56.528 54.840 -0.137 0.000 0.752 467 L CB -0.288 41.702 42.059 -0.115 0.000 0.899 467 L HN 0.378 nan 8.230 nan 0.000 0.433 468 K N -1.448 118.667 120.400 -0.476 0.000 2.116 468 K HA -0.076 4.247 4.320 0.005 0.000 0.203 468 K C 1.205 177.412 176.600 -0.655 0.000 1.052 468 K CA 1.136 57.017 56.287 -0.676 0.000 0.952 468 K CB 0.205 31.987 32.500 -1.198 0.000 0.729 468 K HN 0.195 nan 8.250 nan 0.000 0.446 469 Y N -2.935 117.219 120.300 -0.243 0.000 2.432 469 Y HA 0.108 4.661 4.550 0.005 0.000 0.252 469 Y C 0.567 176.503 175.900 0.061 0.000 1.097 469 Y CA -0.753 57.287 58.100 -0.100 0.000 1.250 469 Y CB 0.422 38.853 38.460 -0.048 0.000 1.245 469 Y HN 0.071 nan 8.280 nan 0.000 0.522 470 W N 0.502 121.615 121.300 -0.313 0.000 3.330 470 W HA 0.545 5.208 4.660 0.005 0.000 0.348 470 W C 1.326 177.642 176.519 -0.338 0.000 1.205 470 W CA 0.030 57.151 57.345 -0.373 0.000 1.841 470 W CB -0.322 28.836 29.460 -0.503 0.000 1.084 470 W HN 0.206 nan 8.180 nan 0.000 0.665 471 G N -0.340 108.421 108.800 -0.065 0.000 2.141 471 G HA2 -0.349 3.614 3.960 0.005 0.000 0.242 471 G HA3 -0.349 3.614 3.960 0.005 0.000 0.242 471 G C 0.792 175.768 174.900 0.127 0.000 0.982 471 G CA 0.143 45.251 45.100 0.014 0.000 0.662 471 G HN 0.077 nan 8.290 nan 0.000 0.527 472 F N 0.898 120.885 119.950 0.062 0.000 2.192 472 F HA 0.005 4.535 4.527 0.005 0.000 0.301 472 F C 2.282 178.043 175.800 -0.065 0.000 1.079 472 F CA 1.332 59.390 58.000 0.096 0.000 1.303 472 F CB -0.662 38.557 39.000 0.366 0.000 1.024 472 F HN 0.504 nan 8.300 nan 0.000 0.494 473 E N 0.686 120.787 120.200 -0.164 0.000 2.333 473 E HA -0.170 4.183 4.350 0.005 0.000 0.198 473 E C 1.859 178.340 176.600 -0.198 0.000 1.007 473 E CA 1.249 57.374 56.400 -0.458 0.000 0.845 473 E CB 0.109 29.405 29.700 -0.673 0.000 0.766 473 E HN 0.297 nan 8.360 nan 0.000 0.507 474 K N -0.669 119.660 120.400 -0.120 0.000 2.374 474 K HA 0.208 4.531 4.320 0.005 0.000 0.196 474 K C 1.216 177.731 176.600 -0.142 0.000 1.023 474 K CA 0.109 56.335 56.287 -0.102 0.000 1.103 474 K CB 0.129 32.586 32.500 -0.072 0.000 0.848 474 K HN 0.094 nan 8.250 nan 0.000 0.528 475 K N -0.669 119.589 120.400 -0.237 0.000 2.370 475 K HA 0.363 4.686 4.320 0.005 0.000 0.194 475 K C -0.679 175.475 176.600 -0.743 0.000 1.070 475 K CA 0.117 56.091 56.287 -0.521 0.000 0.998 475 K CB 0.386 32.434 32.500 -0.753 0.000 0.911 475 K HN 0.265 nan 8.250 nan 0.000 0.533 476 F N 0.550 120.461 119.950 -0.065 0.000 2.593 476 F HA 0.188 4.718 4.527 0.005 0.000 0.320 476 F C 0.737 176.490 175.800 -0.078 0.000 1.060 476 F CA -1.505 56.427 58.000 -0.114 0.000 0.940 476 F CB 0.988 39.867 39.000 -0.202 0.000 1.268 476 F HN -0.161 nan 8.300 nan 0.000 0.475 477 T N -1.348 113.280 114.554 0.123 0.000 2.791 477 T HA 0.108 4.461 4.350 0.005 0.000 0.323 477 T C -2.061 172.693 174.700 0.089 0.000 1.082 477 T CA -0.935 61.206 62.100 0.068 0.000 1.084 477 T CB 0.629 69.524 68.868 0.045 0.000 0.992 477 T HN 0.330 nan 8.240 nan 0.000 0.547 478 P HA 0.030 nan 4.420 nan 0.000 0.223 478 P C 1.070 178.427 177.300 0.095 0.000 1.151 478 P CA 0.777 63.938 63.100 0.101 0.000 0.787 478 P CB 0.058 31.797 31.700 0.065 0.000 0.788 479 E N -0.990 119.240 120.200 0.051 0.000 2.076 479 E HA -0.066 4.287 4.350 0.005 0.000 0.190 479 E C 1.947 178.538 176.600 -0.016 0.000 0.979 479 E CA 0.724 57.141 56.400 0.028 0.000 0.807 479 E CB -1.083 28.632 29.700 0.024 0.000 0.761 479 E HN 0.004 nan 8.360 nan 0.000 0.454 480 V N 0.498 120.371 119.914 -0.068 0.000 2.453 480 V HA -0.216 3.907 4.120 0.005 0.000 0.247 480 V C 1.907 177.832 176.094 -0.281 0.000 1.048 480 V CA 1.437 63.580 62.300 -0.262 0.000 1.049 480 V CB -0.453 31.072 31.823 -0.497 0.000 0.672 480 V HN 0.290 nan 8.190 nan 0.000 0.457 481 Y N 1.039 121.218 120.300 -0.202 0.000 2.165 481 Y HA -0.269 4.284 4.550 0.005 0.000 0.286 481 Y C 2.679 178.505 175.900 -0.123 0.000 1.155 481 Y CA 1.841 59.861 58.100 -0.135 0.000 1.164 481 Y CB -0.219 38.239 38.460 -0.002 0.000 0.978 481 Y HN 0.211 nan 8.280 nan 0.000 0.513 482 Q N -0.289 119.412 119.800 -0.165 0.000 2.084 482 Q HA -0.115 4.228 4.340 0.005 0.000 0.202 482 Q C 2.585 178.490 176.000 -0.159 0.000 0.978 482 Q CA 1.432 57.109 55.803 -0.209 0.000 0.844 482 Q CB -1.130 27.604 28.738 -0.007 0.000 0.898 482 Q HN 0.642 nan 8.270 nan 0.000 0.426 483 G N 0.771 109.526 108.800 -0.073 0.000 2.442 483 G HA2 -0.204 3.759 3.960 0.005 0.000 0.219 483 G HA3 -0.204 3.759 3.960 0.005 0.000 0.219 483 G C 1.580 176.444 174.900 -0.059 0.000 1.141 483 G CA 0.541 45.634 45.100 -0.012 0.000 0.763 483 G HN 0.264 nan 8.290 nan 0.000 0.554 484 L N -0.114 120.991 121.223 -0.197 0.000 2.056 484 L HA -0.068 4.275 4.340 0.005 0.000 0.207 484 L C 3.095 179.895 176.870 -0.117 0.000 1.078 484 L CA 0.728 55.476 54.840 -0.154 0.000 0.749 484 L CB -0.358 41.538 42.059 -0.271 0.000 0.901 484 L HN 0.142 nan 8.230 nan 0.000 0.433 485 M N -0.934 118.466 119.600 -0.333 0.000 2.086 485 M HA -0.174 4.309 4.480 0.005 0.000 0.261 485 M C 2.397 178.591 176.300 -0.177 0.000 1.067 485 M CA 1.731 56.831 55.300 -0.333 0.000 1.116 485 M CB -1.476 30.775 32.600 -0.583 0.000 1.348 485 M HN 0.273 nan 8.290 nan 0.000 0.407 486 H N -0.574 118.464 119.070 -0.052 0.000 2.423 486 H HA 0.024 4.583 4.556 0.005 0.000 0.297 486 H C 2.198 177.535 175.328 0.015 0.000 1.075 486 H CA 1.584 57.623 56.048 -0.015 0.000 1.342 486 H CB -0.711 29.033 29.762 -0.030 0.000 1.395 486 H HN 0.431 nan 8.280 nan 0.000 0.530 487 G N -0.087 108.790 108.800 0.129 0.000 2.408 487 G HA2 -0.297 3.666 3.960 0.005 0.000 0.217 487 G HA3 -0.297 3.666 3.960 0.005 0.000 0.217 487 G C 1.684 176.637 174.900 0.089 0.000 1.150 487 G CA 0.519 45.678 45.100 0.099 0.000 0.776 487 G HN 0.401 nan 8.290 nan 0.000 0.542 488 Y N 2.064 122.409 120.300 0.075 0.000 2.053 488 Y HA -0.229 4.324 4.550 0.005 0.000 0.277 488 Y C 2.516 178.491 175.900 0.125 0.000 1.159 488 Y CA 2.333 60.542 58.100 0.181 0.000 1.125 488 Y CB -0.127 38.411 38.460 0.130 0.000 0.969 488 Y HN 0.208 nan 8.280 nan 0.000 0.492 489 D N -0.019 120.474 120.400 0.155 0.000 2.117 489 D HA -0.173 4.470 4.640 0.005 0.000 0.197 489 D C 2.062 178.304 176.300 -0.096 0.000 0.987 489 D CA 1.619 55.644 54.000 0.041 0.000 0.829 489 D CB -0.345 40.505 40.800 0.083 0.000 0.961 489 D HN 0.375 nan 8.370 nan 0.000 0.460 490 K N -0.184 120.162 120.400 -0.090 0.000 2.089 490 K HA -0.176 4.147 4.320 0.005 0.000 0.210 490 K C 1.913 178.344 176.600 -0.281 0.000 1.048 490 K CA 0.819 57.020 56.287 -0.143 0.000 0.926 490 K CB -0.108 32.337 32.500 -0.093 0.000 0.714 490 K HN 0.063 nan 8.250 nan 0.000 0.448 491 L N -0.722 120.227 121.223 -0.457 0.000 2.121 491 L HA 0.070 4.412 4.340 0.005 0.000 0.200 491 L C 1.568 177.908 176.870 -0.883 0.000 1.077 491 L CA 1.620 55.971 54.840 -0.815 0.000 0.766 491 L CB -0.282 41.028 42.059 -1.248 0.000 0.931 491 L HN 0.012 nan 8.230 nan 0.000 0.452 492 F N -0.430 119.241 119.950 -0.465 0.000 2.698 492 F HA 0.234 4.763 4.527 0.005 0.000 0.295 492 F C 2.011 177.737 175.800 -0.124 0.000 1.124 492 F CA 0.331 58.123 58.000 -0.347 0.000 1.426 492 F CB -0.182 38.455 39.000 -0.605 0.000 1.120 492 F HN -0.007 nan 8.300 nan 0.000 0.583 493 R N -0.541 119.927 120.500 -0.054 0.000 2.437 493 R HA 0.209 4.552 4.340 0.005 0.000 0.257 493 R C 0.696 176.938 176.300 -0.096 0.000 0.927 493 R CA 0.254 56.343 56.100 -0.019 0.000 1.078 493 R CB 0.409 30.691 30.300 -0.030 0.000 1.161 493 R HN 0.301 nan 8.270 nan 0.000 0.529 494 E N 0.014 120.112 120.200 -0.171 0.000 3.312 494 E HA 0.032 4.385 4.350 0.005 0.000 0.178 494 E C 1.193 177.640 176.600 -0.255 0.000 1.204 494 E CA -0.242 56.048 56.400 -0.183 0.000 1.335 494 E CB -0.100 29.510 29.700 -0.149 0.000 1.680 494 E HN -0.066 nan 8.360 nan 0.000 0.503 495 L N 1.975 123.021 121.223 -0.296 0.000 1.989 495 L HA -0.140 4.203 4.340 0.005 0.000 0.211 495 L C 2.063 178.673 176.870 -0.434 0.000 1.071 495 L CA 1.753 56.393 54.840 -0.333 0.000 0.749 495 L CB -0.433 41.419 42.059 -0.345 0.000 0.890 495 L HN 0.160 nan 8.230 nan 0.000 0.431 496 L N -0.083 120.810 121.223 -0.550 0.000 2.005 496 L HA -0.094 4.249 4.340 0.005 0.000 0.207 496 L C -0.141 176.191 176.870 -0.898 0.000 1.072 496 L CA 1.396 55.784 54.840 -0.754 0.000 0.744 496 L CB -2.176 39.427 42.059 -0.760 0.000 0.895 496 L HN 0.276 nan 8.230 nan 0.000 0.433 497 P HA -0.184 nan 4.420 nan 0.000 0.216 497 P C 1.739 178.742 177.300 -0.494 0.000 1.150 497 P CA 2.085 64.605 63.100 -0.967 0.000 0.837 497 P CB -0.081 31.301 31.700 -0.530 0.000 0.786 498 S N -1.394 114.084 115.700 -0.370 0.000 2.406 498 S HA -0.086 4.387 4.470 0.005 0.000 0.228 498 S C 1.925 176.386 174.600 -0.232 0.000 1.020 498 S CA 1.631 59.678 58.200 -0.256 0.000 0.965 498 S CB -1.813 61.266 63.200 -0.201 0.000 0.798 498 S HN 0.104 nan 8.310 nan 0.000 0.488 499 T N 2.074 116.470 114.554 -0.264 0.000 2.821 499 T HA 0.035 4.388 4.350 0.005 0.000 0.267 499 T C 1.854 176.477 174.700 -0.129 0.000 1.046 499 T CA 1.297 63.312 62.100 -0.142 0.000 1.139 499 T CB -0.482 68.243 68.868 -0.239 0.000 0.871 499 T HN 0.287 nan 8.240 nan 0.000 0.454 500 V N 1.258 120.995 119.914 -0.296 0.000 2.358 500 V HA -0.164 3.959 4.120 0.005 0.000 0.246 500 V C 2.685 178.683 176.094 -0.159 0.000 1.047 500 V CA 1.639 63.776 62.300 -0.272 0.000 1.035 500 V CB -0.574 31.061 31.823 -0.312 0.000 0.658 500 V HN 0.372 nan 8.190 nan 0.000 0.452 501 K N -0.331 119.961 120.400 -0.180 0.000 2.063 501 K HA -0.242 4.080 4.320 0.005 0.000 0.208 501 K C 2.194 178.693 176.600 -0.168 0.000 1.048 501 K CA 2.137 58.339 56.287 -0.143 0.000 0.928 501 K CB -0.366 32.044 32.500 -0.151 0.000 0.713 501 K HN 0.779 nan 8.250 nan 0.000 0.442 502 E N -1.965 118.096 120.200 -0.231 0.000 2.072 502 E HA -0.089 4.264 4.350 0.005 0.000 0.191 502 E C 1.538 177.825 176.600 -0.523 0.000 0.985 502 E CA 1.696 57.839 56.400 -0.429 0.000 0.801 502 E CB -0.059 29.274 29.700 -0.611 0.000 0.750 502 E HN 0.595 nan 8.360 nan 0.000 0.452 503 F N -0.634 119.208 119.950 -0.181 0.000 2.717 503 F HA 0.233 4.763 4.527 0.005 0.000 0.297 503 F C 0.506 176.159 175.800 -0.243 0.000 1.113 503 F CA -0.145 57.720 58.000 -0.225 0.000 1.319 503 F CB 1.003 39.843 39.000 -0.266 0.000 1.097 503 F HN -0.138 nan 8.300 nan 0.000 0.595 504 D N -0.635 119.756 120.400 -0.015 0.000 2.849 504 D HA 0.120 4.763 4.640 0.005 0.000 0.314 504 D C 0.856 177.198 176.300 0.071 0.000 1.210 504 D CA 0.193 54.217 54.000 0.041 0.000 0.756 504 D CB 0.400 41.267 40.800 0.112 0.000 1.222 504 D HN 0.033 nan 8.370 nan 0.000 0.521 505 S N -0.595 115.138 115.700 0.055 0.000 2.522 505 S HA -0.040 4.433 4.470 0.005 0.000 0.227 505 S C 0.879 175.507 174.600 0.046 0.000 0.986 505 S CA 0.321 58.535 58.200 0.023 0.000 0.929 505 S CB 0.319 63.510 63.200 -0.015 0.000 0.769 505 S HN 0.172 nan 8.310 nan 0.000 0.529 506 D N 1.145 121.590 120.400 0.075 0.000 2.342 506 D HA 0.190 4.833 4.640 0.005 0.000 0.221 506 D C 0.197 176.552 176.300 0.092 0.000 1.101 506 D CA 0.057 54.096 54.000 0.065 0.000 0.837 506 D CB 0.303 41.130 40.800 0.044 0.000 0.938 506 D HN 0.410 nan 8.370 nan 0.000 0.508 507 R N 0.431 121.015 120.500 0.141 0.000 2.460 507 R HA 0.296 4.639 4.340 0.005 0.000 0.303 507 R C -0.321 176.129 176.300 0.250 0.000 0.968 507 R CA -0.841 55.382 56.100 0.206 0.000 0.889 507 R CB 1.616 32.094 30.300 0.297 0.000 1.123 507 R HN -0.092 nan 8.270 nan 0.000 0.455 508 F N 3.027 122.998 119.950 0.036 0.000 2.506 508 F HA 0.066 4.596 4.527 0.006 0.000 0.351 508 F C -0.659 175.226 175.800 0.141 0.000 1.136 508 F CA 0.267 58.259 58.000 -0.013 0.000 1.298 508 F CB 0.345 39.215 39.000 -0.218 0.000 1.145 508 F HN 0.415 nan 8.300 nan 0.000 0.593 509 Y N 5.887 125.747 120.300 -0.734 0.000 2.442 509 Y HA 0.610 5.163 4.550 0.005 0.000 0.344 509 Y C -1.842 173.463 175.900 -0.993 0.000 0.976 509 Y CA -1.083 56.702 58.100 -0.525 0.000 1.040 509 Y CB 1.535 39.889 38.460 -0.177 0.000 1.228 509 Y HN 0.563 nan 8.280 nan 0.000 0.451 510 V N 6.506 125.632 119.914 -1.314 0.000 2.735 510 V HA 0.266 4.389 4.120 0.005 0.000 0.310 510 V C 0.240 175.725 176.094 -1.014 0.000 1.061 510 V CA -0.362 61.386 62.300 -0.919 0.000 0.913 510 V CB 1.528 33.157 31.823 -0.323 0.000 1.005 510 V HN 1.058 nan 8.190 nan 0.000 0.428 511 H N 3.242 122.025 119.070 -0.478 0.000 2.457 511 H HA 0.312 4.871 4.556 0.005 0.000 0.294 511 H C 0.745 176.052 175.328 -0.034 0.000 1.064 511 H CA 1.128 57.099 56.048 -0.129 0.000 1.330 511 H CB 0.178 30.037 29.762 0.162 0.000 1.395 511 H HN 0.545 nan 8.280 nan 0.000 0.541 512 S N -1.026 114.419 115.700 -0.424 0.000 2.552 512 S HA 0.432 4.905 4.470 0.005 0.000 0.272 512 S C -1.584 172.993 174.600 -0.039 0.000 1.150 512 S CA -0.538 57.554 58.200 -0.180 0.000 0.849 512 S CB 1.613 64.730 63.200 -0.138 0.000 1.113 512 S HN 0.402 nan 8.310 nan 0.000 0.458 513 S N 3.489 119.261 115.700 0.121 0.000 2.498 513 S HA 0.728 5.201 4.470 0.005 0.000 0.317 513 S C -2.852 171.650 174.600 -0.162 0.000 1.090 513 S CA -1.634 56.678 58.200 0.188 0.000 1.089 513 S CB 1.254 64.806 63.200 0.586 0.000 0.997 513 S HN 0.533 nan 8.310 nan 0.000 0.470 514 P HA 0.180 nan 4.420 nan 0.000 0.279 514 P C 0.054 177.289 177.300 -0.109 0.000 1.239 514 P CA -0.432 62.527 63.100 -0.235 0.000 0.789 514 P CB 0.411 31.962 31.700 -0.249 0.000 0.933 515 Y N 2.485 122.719 120.300 -0.109 0.000 2.337 515 Y HA 0.064 4.616 4.550 0.005 0.000 0.293 515 Y C 1.371 177.272 175.900 0.001 0.000 1.123 515 Y CA 1.041 59.051 58.100 -0.149 0.000 1.201 515 Y CB -0.347 38.009 38.460 -0.173 0.000 1.011 515 Y HN 0.143 nan 8.280 nan 0.000 0.545 516 L N -0.271 120.835 121.223 -0.196 0.000 2.658 516 L HA 0.550 4.893 4.340 0.005 0.000 0.222 516 L C 0.809 177.682 176.870 0.005 0.000 1.033 516 L CA 0.682 55.512 54.840 -0.016 0.000 0.949 516 L CB -0.629 41.437 42.059 0.012 0.000 1.698 516 L HN 0.198 nan 8.230 nan 0.000 0.498 517 A N 2.265 125.037 122.820 -0.079 0.000 2.540 517 A HA 0.147 4.470 4.320 0.005 0.000 0.239 517 A C 0.095 177.768 177.584 0.148 0.000 1.061 517 A CA 0.338 52.426 52.037 0.086 0.000 0.758 517 A CB -0.309 18.754 19.000 0.104 0.000 0.991 517 A HN 0.577 nan 8.150 nan 0.000 0.502 518 N N 2.768 121.586 118.700 0.196 0.000 2.258 518 N HA 0.155 4.898 4.740 0.005 0.000 0.299 518 N C 0.884 176.585 175.510 0.318 0.000 1.047 518 N CA -0.666 52.454 53.050 0.117 0.000 0.814 518 N CB 0.966 39.276 38.487 -0.296 0.000 1.413 518 N HN 0.874 nan 8.380 nan 0.000 0.478 519 W N 3.221 124.699 121.300 0.297 0.000 2.392 519 W HA 0.094 4.756 4.660 0.005 0.000 0.279 519 W C 0.586 177.406 176.519 0.502 0.000 1.225 519 W CA 0.905 58.480 57.345 0.385 0.000 1.233 519 W CB -0.528 29.086 29.460 0.256 0.000 1.122 519 W HN 0.565 nan 8.180 nan 0.000 0.561 520 G N 1.241 109.927 108.800 -0.190 0.000 3.088 520 G HA2 0.086 4.049 3.960 0.005 0.000 0.212 520 G HA3 0.086 4.049 3.960 0.005 0.000 0.212 520 G C 0.621 175.449 174.900 -0.120 0.000 1.173 520 G CA -0.578 44.381 45.100 -0.236 0.000 0.779 520 G HN 0.135 nan 8.290 nan 0.000 0.540 521 R N 0.145 120.596 120.500 -0.083 0.000 2.547 521 R HA 0.225 4.568 4.340 0.005 0.000 0.280 521 R C -2.081 173.824 176.300 -0.659 0.000 1.630 521 R CA -1.526 54.403 56.100 -0.285 0.000 1.470 521 R CB 1.863 32.010 30.300 -0.255 0.000 1.178 521 R HN -0.032 nan 8.270 nan 0.000 0.591 522 P HA -0.273 nan 4.420 nan 0.000 0.217 522 P C 1.183 177.873 177.300 -1.016 0.000 1.148 522 P CA 1.188 63.082 63.100 -2.010 0.000 0.828 522 P CB 0.304 31.281 31.700 -1.206 0.000 0.783 523 E N 0.145 120.026 120.200 -0.531 0.000 2.338 523 E HA -0.126 4.226 4.350 0.005 0.000 0.197 523 E C 1.426 177.940 176.600 -0.143 0.000 1.007 523 E CA 1.684 57.936 56.400 -0.246 0.000 0.849 523 E CB -0.832 28.773 29.700 -0.158 0.000 0.774 523 E HN 0.345 nan 8.360 nan 0.000 0.506 524 S N -0.987 114.606 115.700 -0.179 0.000 2.535 524 S HA 0.043 4.516 4.470 0.005 0.000 0.214 524 S C 1.213 175.909 174.600 0.161 0.000 0.980 524 S CA -0.512 57.689 58.200 0.002 0.000 0.907 524 S CB -0.580 62.637 63.200 0.027 0.000 0.790 524 S HN 0.243 nan 8.310 nan 0.000 0.510 525 W N 2.337 123.679 121.300 0.069 0.000 2.465 525 W HA 0.334 4.996 4.660 0.004 0.000 0.268 525 W C 2.103 178.689 176.519 0.112 0.000 1.242 525 W CA 0.177 57.580 57.345 0.095 0.000 1.248 525 W CB -1.300 28.241 29.460 0.135 0.000 1.118 525 W HN 0.531 nan 8.180 nan 0.000 0.587 526 G N -0.587 108.402 108.800 0.315 0.000 2.920 526 G HA2 0.012 3.975 3.960 0.005 0.000 0.208 526 G HA3 0.012 3.975 3.960 0.005 0.000 0.208 526 G C 0.077 175.045 174.900 0.112 0.000 1.159 526 G CA 0.236 45.462 45.100 0.211 0.000 0.784 526 G HN 0.031 nan 8.290 nan 0.000 0.535 527 T N 1.159 115.774 114.554 0.101 0.000 3.042 527 T HA 0.575 4.928 4.350 0.005 0.000 0.356 527 T C 0.794 175.422 174.700 -0.119 0.000 1.233 527 T CA 0.248 62.382 62.100 0.056 0.000 1.038 527 T CB 1.003 69.912 68.868 0.068 0.000 1.089 527 T HN 0.836 nan 8.240 nan 0.000 0.531 528 G N 4.010 112.804 108.800 -0.010 0.000 2.553 528 G HA2 -0.186 3.777 3.960 0.005 0.000 0.242 528 G HA3 -0.186 3.777 3.960 0.005 0.000 0.242 528 G C -0.642 174.140 174.900 -0.197 0.000 1.277 528 G CA -0.195 44.841 45.100 -0.107 0.000 0.910 528 G HN 0.830 nan 8.290 nan 0.000 0.576 529 D N 0.017 120.133 120.400 -0.473 0.000 2.283 529 D HA 0.604 5.247 4.640 0.005 0.000 0.248 529 D C -0.167 176.080 176.300 -0.088 0.000 1.072 529 D CA 0.182 54.014 54.000 -0.279 0.000 0.929 529 D CB 1.527 42.023 40.800 -0.508 0.000 1.182 529 D HN 0.505 nan 8.370 nan 0.000 0.433 530 S N -0.341 115.402 115.700 0.071 0.000 2.513 530 S HA 0.270 4.743 4.470 0.005 0.000 0.299 530 S C -0.798 173.990 174.600 0.313 0.000 1.087 530 S CA -0.705 57.565 58.200 0.116 0.000 1.012 530 S CB 1.041 64.239 63.200 -0.003 0.000 1.044 530 S HN 0.394 nan 8.310 nan 0.000 0.485 531 H N 2.526 121.700 119.070 0.173 0.000 2.724 531 H HA 0.225 4.784 4.556 0.005 0.000 0.278 531 H C -0.333 175.089 175.328 0.158 0.000 1.159 531 H CA -0.628 55.563 56.048 0.237 0.000 1.254 531 H CB 0.465 30.538 29.762 0.518 0.000 1.412 531 H HN 0.313 nan 8.280 nan 0.000 0.488 532 N N 3.479 122.154 118.700 -0.042 0.000 2.482 532 N HA -0.027 4.716 4.740 0.005 0.000 0.242 532 N C -0.501 174.741 175.510 -0.447 0.000 1.100 532 N CA -0.363 52.603 53.050 -0.140 0.000 0.946 532 N CB 0.119 38.464 38.487 -0.237 0.000 1.227 532 N HN 0.572 nan 8.380 nan 0.000 0.508 533 W N 1.820 122.943 121.300 -0.294 0.000 3.194 533 W HA 0.379 5.043 4.660 0.005 0.000 0.408 533 W C 1.817 177.639 176.519 -1.163 0.000 1.072 533 W CA -0.678 56.367 57.345 -0.499 0.000 1.953 533 W CB 0.384 29.755 29.460 -0.148 0.000 1.091 533 W HN 0.599 nan 8.180 nan 0.000 0.699 534 G N 0.472 108.700 108.800 -0.954 0.000 2.421 534 G HA2 -0.191 3.772 3.960 0.005 0.000 0.216 534 G HA3 -0.191 3.772 3.960 0.005 0.000 0.216 534 G C 0.629 175.404 174.900 -0.207 0.000 1.171 534 G CA 0.503 45.226 45.100 -0.628 0.000 0.775 534 G HN -0.041 nan 8.290 nan 0.000 0.543 535 V N 1.104 120.972 119.914 -0.077 0.000 2.572 535 V HA 0.208 4.331 4.120 0.005 0.000 0.291 535 V C 0.826 177.036 176.094 0.193 0.000 1.039 535 V CA 0.294 62.645 62.300 0.084 0.000 1.055 535 V CB 0.254 32.145 31.823 0.114 0.000 0.969 535 V HN 0.629 nan 8.190 nan 0.000 0.482 536 W N 3.828 125.138 121.300 0.015 0.000 0.829 536 W HA -0.381 4.282 4.660 0.005 0.000 0.225 536 W C 1.285 177.768 176.519 -0.060 0.000 1.110 536 W CA 1.608 58.898 57.345 -0.092 0.000 1.212 536 W CB -1.411 28.032 29.460 -0.027 0.000 1.690 536 W HN 0.562 nan 8.180 nan 0.000 0.441 537 Y N 1.343 121.719 120.300 0.125 0.000 2.224 537 Y HA 0.064 4.617 4.550 0.005 0.000 0.289 537 Y C 2.678 178.535 175.900 -0.072 0.000 1.146 537 Y CA 2.558 60.626 58.100 -0.053 0.000 1.182 537 Y CB -1.409 37.089 38.460 0.063 0.000 0.983 537 Y HN 0.270 nan 8.280 nan 0.000 0.524 538 G N -0.933 107.788 108.800 -0.131 0.000 2.985 538 G HA2 -0.013 3.950 3.960 0.005 0.000 0.209 538 G HA3 -0.013 3.950 3.960 0.005 0.000 0.209 538 G C 0.784 175.749 174.900 0.108 0.000 1.165 538 G CA 0.187 45.313 45.100 0.043 0.000 0.776 538 G HN 0.330 nan 8.290 nan 0.000 0.541 539 K N -1.131 119.325 120.400 0.093 0.000 3.349 539 K HA -0.181 4.142 4.320 0.005 0.000 0.310 539 K C 0.257 176.846 176.600 -0.019 0.000 1.267 539 K CA 0.841 57.171 56.287 0.072 0.000 0.920 539 K CB -0.945 31.543 32.500 -0.020 0.000 1.240 539 K HN 0.407 nan 8.250 nan 0.000 0.453 540 K N 1.656 122.101 120.400 0.075 0.000 2.382 540 K HA 0.096 4.419 4.320 0.005 0.000 0.275 540 K C -2.189 174.385 176.600 -0.045 0.000 1.009 540 K CA -1.337 54.964 56.287 0.023 0.000 0.970 540 K CB 0.272 32.818 32.500 0.075 0.000 0.934 540 K HN -0.070 nan 8.250 nan 0.000 0.479 541 P HA -0.082 nan 4.420 nan 0.000 0.268 541 P C 0.152 177.430 177.300 -0.036 0.000 1.208 541 P CA 0.136 63.151 63.100 -0.142 0.000 0.777 541 P CB 0.329 31.985 31.700 -0.073 0.000 0.875 542 F N 0.435 120.458 119.950 0.121 0.000 2.250 542 F HA -0.168 4.362 4.527 0.005 0.000 0.301 542 F C 2.135 177.988 175.800 0.089 0.000 1.077 542 F CA 1.622 59.674 58.000 0.086 0.000 1.348 542 F CB -1.113 37.878 39.000 -0.014 0.000 1.040 542 F HN 0.318 nan 8.300 nan 0.000 0.509 543 E N -0.133 120.173 120.200 0.176 0.000 2.268 543 E HA -0.150 4.203 4.350 0.005 0.000 0.195 543 E C 2.302 178.997 176.600 0.158 0.000 0.995 543 E CA 1.140 57.636 56.400 0.160 0.000 0.836 543 E CB -0.540 29.202 29.700 0.069 0.000 0.763 543 E HN 0.368 nan 8.360 nan 0.000 0.491 544 S N 0.207 115.979 115.700 0.119 0.000 2.442 544 S HA -0.127 4.346 4.470 0.005 0.000 0.236 544 S C 1.805 176.448 174.600 0.072 0.000 1.007 544 S CA 0.657 58.914 58.200 0.096 0.000 0.965 544 S CB -0.366 62.886 63.200 0.086 0.000 0.773 544 S HN 0.251 nan 8.310 nan 0.000 0.504 545 L N 1.108 122.385 121.223 0.091 0.000 2.376 545 L HA 0.002 4.345 4.340 0.005 0.000 0.219 545 L C 1.809 178.661 176.870 -0.029 0.000 1.133 545 L CA 0.908 55.755 54.840 0.013 0.000 0.816 545 L CB -0.432 41.623 42.059 -0.007 0.000 0.933 545 L HN 0.275 nan 8.230 nan 0.000 0.449 546 D N -0.956 119.454 120.400 0.017 0.000 2.289 546 D HA -0.080 4.563 4.640 0.005 0.000 0.207 546 D C 2.073 178.379 176.300 0.009 0.000 0.966 546 D CA 1.693 55.681 54.000 -0.019 0.000 0.868 546 D CB 0.289 41.112 40.800 0.039 0.000 0.943 546 D HN 0.406 nan 8.370 nan 0.000 0.514 547 T N -2.657 111.924 114.554 0.045 0.000 2.969 547 T HA 0.037 4.390 4.350 0.005 0.000 0.250 547 T C 0.383 175.148 174.700 0.107 0.000 1.021 547 T CA -0.252 61.891 62.100 0.071 0.000 1.003 547 T CB 0.369 69.297 68.868 0.100 0.000 1.040 547 T HN -0.269 nan 8.240 nan 0.000 0.492 548 D N 2.062 122.494 120.400 0.052 0.000 2.518 548 D HA 0.488 5.131 4.640 0.005 0.000 0.230 548 D C -0.840 175.352 176.300 -0.180 0.000 1.138 548 D CA -0.189 53.769 54.000 -0.070 0.000 0.964 548 D CB 0.706 41.312 40.800 -0.323 0.000 1.011 548 D HN 0.381 nan 8.370 nan 0.000 0.517 549 L N 3.275 124.514 121.223 0.027 0.000 2.309 549 L HA 0.470 4.813 4.340 0.005 0.000 0.282 549 L C -1.996 174.995 176.870 0.201 0.000 1.036 549 L CA -1.508 53.386 54.840 0.089 0.000 0.806 549 L CB 1.730 43.869 42.059 0.133 0.000 1.220 549 L HN 0.094 nan 8.230 nan 0.000 0.429 550 P HA 0.349 nan 4.420 nan 0.000 0.284 550 P C -0.316 177.045 177.300 0.101 0.000 1.287 550 P CA -0.704 62.443 63.100 0.078 0.000 0.824 550 P CB 1.295 32.927 31.700 -0.114 0.000 1.180 551 R N -0.353 120.154 120.500 0.011 0.000 2.153 551 R HA 0.203 4.546 4.340 0.005 0.000 0.218 551 R C 0.221 176.626 176.300 0.176 0.000 1.072 551 R CA 0.746 56.822 56.100 -0.040 0.000 0.990 551 R CB -0.847 29.452 30.300 -0.003 0.000 0.889 551 R HN 0.572 nan 8.270 nan 0.000 0.452 552 F N -0.276 119.670 119.950 -0.007 0.000 2.683 552 F HA 0.266 4.796 4.527 0.004 0.000 0.333 552 F C -1.295 174.460 175.800 -0.075 0.000 1.160 552 F CA -1.138 56.873 58.000 0.017 0.000 1.099 552 F CB 1.222 40.355 39.000 0.221 0.000 1.344 552 F HN -0.244 nan 8.300 nan 0.000 0.534 553 M N 5.234 124.631 119.600 -0.339 0.000 2.111 553 M HA 0.263 4.746 4.480 0.005 0.000 0.351 553 M C 0.390 176.686 176.300 -0.007 0.000 1.214 553 M CA 0.222 55.386 55.300 -0.227 0.000 1.120 553 M CB 0.767 33.017 32.600 -0.584 0.000 1.443 553 M HN 0.524 nan 8.290 nan 0.000 0.429 554 S N 2.382 118.228 115.700 0.242 0.000 2.501 554 S HA 0.263 4.735 4.470 0.005 0.000 0.220 554 S C 0.071 174.650 174.600 -0.034 0.000 0.997 554 S CA -0.017 58.289 58.200 0.177 0.000 0.919 554 S CB -0.132 63.170 63.200 0.171 0.000 0.778 554 S HN 0.745 nan 8.310 nan 0.000 0.523 555 E N -0.017 120.176 120.200 -0.012 0.000 2.335 555 E HA 0.591 4.944 4.350 0.005 0.000 0.280 555 E C -1.581 175.017 176.600 -0.003 0.000 0.918 555 E CA -0.798 55.590 56.400 -0.020 0.000 0.765 555 E CB 2.383 31.989 29.700 -0.156 0.000 1.218 555 E HN 0.434 nan 8.360 nan 0.000 0.425 556 F N -0.471 119.290 119.950 -0.316 0.000 2.719 556 F HA 0.851 5.381 4.527 0.005 0.000 0.309 556 F C -0.660 174.861 175.800 -0.464 0.000 1.138 556 F CA -0.565 57.016 58.000 -0.699 0.000 0.943 556 F CB 1.665 40.438 39.000 -0.378 0.000 1.304 556 F HN 0.577 nan 8.300 nan 0.000 0.445 557 G N 0.844 109.138 108.800 -0.843 0.000 2.506 557 G HA2 0.569 4.532 3.960 0.005 0.000 0.292 557 G HA3 0.569 4.532 3.960 0.005 0.000 0.292 557 G C -2.793 172.175 174.900 0.114 0.000 1.425 557 G CA -0.857 44.065 45.100 -0.297 0.000 0.788 557 G HN 1.083 nan 8.290 nan 0.000 0.490 558 F N 0.176 120.142 119.950 0.026 0.000 2.622 558 F HA 0.499 5.029 4.527 0.005 0.000 0.318 558 F C -0.110 175.370 175.800 -0.533 0.000 1.135 558 F CA -0.629 57.243 58.000 -0.214 0.000 1.015 558 F CB 2.073 41.048 39.000 -0.043 0.000 1.275 558 F HN 0.546 nan 8.300 nan 0.000 0.457 559 Q N 2.651 121.467 119.800 -1.641 0.000 2.394 559 Q HA 0.563 4.906 4.340 0.005 0.000 0.248 559 Q C -0.769 174.894 176.000 -0.562 0.000 0.992 559 Q CA 0.009 54.987 55.803 -1.375 0.000 0.888 559 Q CB 1.420 29.143 28.738 -1.692 0.000 1.257 559 Q HN 0.704 nan 8.270 nan 0.000 0.462 560 S N 0.747 116.195 115.700 -0.419 0.000 2.537 560 S HA 0.480 4.953 4.470 0.005 0.000 0.270 560 S C -0.839 173.687 174.600 -0.124 0.000 1.142 560 S CA -0.902 57.194 58.200 -0.173 0.000 0.870 560 S CB 0.532 63.626 63.200 -0.178 0.000 1.112 560 S HN 0.429 nan 8.310 nan 0.000 0.466 561 F N 3.124 122.980 119.950 -0.157 0.000 2.563 561 F HA 0.325 4.855 4.527 0.005 0.000 0.363 561 F C -1.355 174.380 175.800 -0.109 0.000 1.123 561 F CA -0.839 57.116 58.000 -0.075 0.000 1.307 561 F CB 0.748 39.743 39.000 -0.008 0.000 1.115 561 F HN 0.433 nan 8.300 nan 0.000 0.592 562 P HA 0.073 nan 4.420 nan 0.000 0.276 562 P C -1.028 176.320 177.300 0.079 0.000 1.261 562 P CA -0.580 62.548 63.100 0.048 0.000 0.800 562 P CB 0.677 32.421 31.700 0.073 0.000 1.066 563 E N 0.786 121.033 120.200 0.077 0.000 2.425 563 E HA 0.006 4.359 4.350 0.005 0.000 0.258 563 E C 1.064 177.708 176.600 0.073 0.000 1.151 563 E CA -0.555 55.913 56.400 0.114 0.000 0.958 563 E CB 0.123 29.972 29.700 0.248 0.000 0.968 563 E HN 0.161 nan 8.360 nan 0.000 0.451 564 M N 1.409 121.037 119.600 0.046 0.000 2.108 564 M HA -0.186 4.297 4.480 0.005 0.000 0.261 564 M C 2.083 178.330 176.300 -0.087 0.000 1.066 564 M CA 2.187 57.442 55.300 -0.075 0.000 1.107 564 M CB -1.311 31.237 32.600 -0.088 0.000 1.356 564 M HN 0.719 nan 8.290 nan 0.000 0.406 565 K N -1.176 119.214 120.400 -0.018 0.000 2.211 565 K HA -0.120 4.203 4.320 0.005 0.000 0.204 565 K C 1.602 178.160 176.600 -0.070 0.000 1.047 565 K CA 1.830 58.094 56.287 -0.039 0.000 0.935 565 K CB -0.724 31.763 32.500 -0.022 0.000 0.728 565 K HN 0.212 nan 8.250 nan 0.000 0.452 566 T N 1.755 116.306 114.554 -0.005 0.000 2.851 566 T HA 0.089 4.442 4.350 0.005 0.000 0.262 566 T C 1.943 176.618 174.700 -0.041 0.000 1.043 566 T CA 0.855 63.008 62.100 0.088 0.000 1.140 566 T CB -0.134 68.892 68.868 0.264 0.000 0.872 566 T HN 0.158 nan 8.240 nan 0.000 0.446 567 I N 1.703 122.136 120.570 -0.229 0.000 2.208 567 I HA -0.230 3.942 4.170 0.005 0.000 0.245 567 I C 2.898 178.596 176.117 -0.699 0.000 1.097 567 I CA 1.260 62.111 61.300 -0.748 0.000 1.363 567 I CB -0.461 37.285 38.000 -0.424 0.000 1.051 567 I HN 0.196 nan 8.210 nan 0.000 0.413 568 A N 0.596 123.246 122.820 -0.283 0.000 2.019 568 A HA -0.112 4.210 4.320 0.005 0.000 0.219 568 A C 2.473 180.067 177.584 0.017 0.000 1.164 568 A CA 1.653 53.675 52.037 -0.025 0.000 0.644 568 A CB -0.649 18.381 19.000 0.050 0.000 0.805 568 A HN 0.458 nan 8.150 nan 0.000 0.449 569 A N -0.742 122.069 122.820 -0.015 0.000 2.067 569 A HA 0.150 4.473 4.320 0.005 0.000 0.219 569 A C 1.641 179.449 177.584 0.372 0.000 1.158 569 A CA 1.407 53.547 52.037 0.172 0.000 0.661 569 A CB -0.587 18.510 19.000 0.161 0.000 0.801 569 A HN 1.100 nan 8.150 nan 0.000 0.452 570 F N -3.221 116.791 119.950 0.104 0.000 2.728 570 F HA 0.740 5.270 4.527 0.005 0.000 0.314 570 F C 0.334 175.785 175.800 -0.582 0.000 1.094 570 F CA -0.591 57.304 58.000 -0.175 0.000 1.217 570 F CB -0.104 38.637 39.000 -0.431 0.000 1.056 570 F HN 0.168 nan 8.300 nan 0.000 0.577 571 A N 1.189 123.793 122.820 -0.358 0.000 2.422 571 A HA 0.848 5.171 4.320 0.005 0.000 0.302 571 A C -0.403 177.201 177.584 0.033 0.000 1.041 571 A CA -0.443 51.464 52.037 -0.216 0.000 0.708 571 A CB 0.688 19.564 19.000 -0.207 0.000 1.257 571 A HN 0.560 nan 8.150 nan 0.000 0.414 572 A N 2.654 125.483 122.820 0.016 0.000 2.332 572 A HA 0.656 4.979 4.320 0.005 0.000 0.258 572 A C -1.666 175.646 177.584 -0.453 0.000 1.087 572 A CA -1.313 50.691 52.037 -0.055 0.000 0.802 572 A CB -0.187 18.824 19.000 0.018 0.000 1.042 572 A HN 0.519 nan 8.150 nan 0.000 0.489 573 P HA -0.180 nan 4.420 nan 0.000 0.218 573 P C 1.180 178.011 177.300 -0.782 0.000 1.148 573 P CA 1.514 63.848 63.100 -1.278 0.000 0.822 573 P CB 0.062 31.389 31.700 -0.623 0.000 0.784 574 E N -0.271 119.697 120.200 -0.386 0.000 2.401 574 E HA -0.191 4.162 4.350 0.005 0.000 0.199 574 E C 0.551 177.034 176.600 -0.195 0.000 1.023 574 E CA 1.141 57.406 56.400 -0.224 0.000 0.859 574 E CB -0.908 28.717 29.700 -0.125 0.000 0.780 574 E HN 0.305 nan 8.360 nan 0.000 0.523 575 D N 0.154 120.418 120.400 -0.227 0.000 2.349 575 D HA -0.043 4.600 4.640 0.005 0.000 0.215 575 D C -0.073 176.161 176.300 -0.111 0.000 1.016 575 D CA 0.218 54.150 54.000 -0.113 0.000 0.870 575 D CB -0.090 40.684 40.800 -0.043 0.000 0.917 575 D HN 0.198 nan 8.370 nan 0.000 0.524 576 Y N 2.662 122.747 120.300 -0.359 0.000 2.724 576 Y HA 0.168 4.721 4.550 0.005 0.000 0.354 576 Y C 0.921 176.242 175.900 -0.964 0.000 1.270 576 Y CA -0.395 57.224 58.100 -0.801 0.000 1.902 576 Y CB -0.979 37.236 38.460 -0.408 0.000 1.981 576 Y HN -0.126 nan 8.280 nan 0.000 0.428 577 Q N -0.028 119.410 119.800 -0.604 0.000 2.297 577 Q HA 0.378 4.720 4.340 0.005 0.000 0.269 577 Q C 1.455 177.271 176.000 -0.308 0.000 1.051 577 Q CA -0.853 54.623 55.803 -0.546 0.000 0.869 577 Q CB 1.879 30.503 28.738 -0.190 0.000 1.346 577 Q HN 0.414 nan 8.270 nan 0.000 0.457 578 I N 0.368 120.908 120.570 -0.050 0.000 2.151 578 I HA -0.268 3.905 4.170 0.005 0.000 0.243 578 I C 1.120 177.332 176.117 0.159 0.000 1.080 578 I CA 1.463 62.848 61.300 0.142 0.000 1.339 578 I CB 0.040 37.989 38.000 -0.084 0.000 1.039 578 I HN 0.498 nan 8.210 nan 0.000 0.409 579 E N 0.874 121.103 120.200 0.048 0.000 2.499 579 E HA 0.112 4.465 4.350 0.005 0.000 0.199 579 E C 0.677 177.296 176.600 0.031 0.000 1.016 579 E CA -0.004 56.427 56.400 0.052 0.000 0.933 579 E CB 0.189 29.905 29.700 0.027 0.000 1.050 579 E HN 0.436 nan 8.360 nan 0.000 0.462 580 S N 0.872 116.579 115.700 0.011 0.000 2.592 580 S HA -0.047 4.426 4.470 0.005 0.000 0.256 580 S C 1.324 175.954 174.600 0.049 0.000 1.369 580 S CA 0.256 58.462 58.200 0.010 0.000 0.984 580 S CB 1.115 64.305 63.200 -0.016 0.000 0.919 580 S HN 0.171 nan 8.310 nan 0.000 0.576 581 E N -0.612 119.618 120.200 0.049 0.000 2.364 581 E HA 0.064 4.417 4.350 0.005 0.000 0.196 581 E C 1.861 178.521 176.600 0.099 0.000 0.990 581 E CA 0.536 56.976 56.400 0.066 0.000 0.886 581 E CB -1.808 27.922 29.700 0.049 0.000 0.866 581 E HN 0.656 nan 8.360 nan 0.000 0.493 582 V N 0.921 120.907 119.914 0.119 0.000 2.408 582 V HA -0.464 3.659 4.120 0.005 0.000 0.231 582 V C 2.507 178.761 176.094 0.267 0.000 1.017 582 V CA 3.291 65.703 62.300 0.187 0.000 1.102 582 V CB -1.159 30.745 31.823 0.136 0.000 0.904 582 V HN 0.564 nan 8.190 nan 0.000 0.489 583 M N -0.587 119.145 119.600 0.220 0.000 2.545 583 M HA 0.179 4.662 4.480 0.005 0.000 0.264 583 M C 1.638 178.054 176.300 0.194 0.000 1.155 583 M CA 1.363 56.843 55.300 0.300 0.000 1.162 583 M CB -0.657 32.106 32.600 0.271 0.000 1.330 583 M HN 0.404 nan 8.290 nan 0.000 0.479 584 N N 1.280 120.065 118.700 0.141 0.000 2.058 584 N HA -0.082 4.661 4.740 0.005 0.000 0.191 584 N C 1.731 177.267 175.510 0.044 0.000 1.037 584 N CA 1.882 54.982 53.050 0.083 0.000 0.848 584 N CB -0.756 37.771 38.487 0.066 0.000 1.021 584 N HN 0.460 nan 8.380 nan 0.000 0.422 585 A N 0.705 123.553 122.820 0.047 0.000 1.813 585 A HA -0.286 4.037 4.320 0.005 0.000 0.282 585 A C 1.167 178.640 177.584 -0.184 0.000 2.939 585 A CA 2.406 54.446 52.037 0.005 0.000 0.824 585 A CB -1.326 17.723 19.000 0.081 0.000 0.815 585 A HN 0.674 nan 8.150 nan 0.000 0.565 586 H N -2.438 116.515 119.070 -0.195 0.000 2.510 586 H HA 0.367 4.925 4.556 0.005 0.000 0.266 586 H C -0.133 174.973 175.328 -0.369 0.000 1.146 586 H CA 0.456 56.203 56.048 -0.501 0.000 0.993 586 H CB 0.456 29.486 29.762 -1.220 0.000 1.727 586 H HN 0.592 nan 8.280 nan 0.000 0.590 587 Q N 1.541 121.280 119.800 -0.102 0.000 2.397 587 Q HA 0.180 4.523 4.340 0.005 0.000 0.260 587 Q C -0.127 175.868 176.000 -0.009 0.000 1.002 587 Q CA -0.604 55.138 55.803 -0.102 0.000 0.716 587 Q CB 0.829 29.517 28.738 -0.083 0.000 1.258 587 Q HN -0.124 nan 8.270 nan 0.000 0.477 588 K N 1.248 121.678 120.400 0.051 0.000 2.387 588 K HA 0.226 4.549 4.320 0.005 0.000 0.198 588 K C -0.147 176.524 176.600 0.119 0.000 1.022 588 K CA 0.054 56.397 56.287 0.094 0.000 1.128 588 K CB 0.779 33.395 32.500 0.193 0.000 0.853 588 K HN 0.469 nan 8.250 nan 0.000 0.523 589 S N -0.137 115.642 115.700 0.132 0.000 2.542 589 S HA 0.436 4.909 4.470 0.005 0.000 0.293 589 S C 0.540 175.219 174.600 0.133 0.000 1.089 589 S CA -0.193 58.123 58.200 0.194 0.000 0.961 589 S CB 1.798 65.235 63.200 0.395 0.000 1.062 589 S HN 0.131 nan 8.310 nan 0.000 0.483 590 S N 4.018 119.789 115.700 0.118 0.000 3.084 590 S HA 0.029 4.502 4.470 0.005 0.000 0.262 590 S C 1.907 176.537 174.600 0.050 0.000 1.081 590 S CA 0.400 58.637 58.200 0.061 0.000 0.855 590 S CB -1.284 61.941 63.200 0.042 0.000 0.857 590 S HN 1.111 nan 8.310 nan 0.000 0.449 591 I N 1.671 122.274 120.570 0.056 0.000 2.462 591 I HA -0.024 4.149 4.170 0.005 0.000 0.259 591 I C 2.060 178.168 176.117 -0.014 0.000 1.156 591 I CA 1.906 63.218 61.300 0.021 0.000 1.417 591 I CB -1.033 36.958 38.000 -0.016 0.000 1.088 591 I HN 0.397 nan 8.210 nan 0.000 0.442 592 G N 1.498 110.358 108.800 0.101 0.000 2.418 592 G HA2 -0.245 3.718 3.960 0.005 0.000 0.217 592 G HA3 -0.245 3.718 3.960 0.005 0.000 0.217 592 G C 1.350 176.342 174.900 0.153 0.000 1.158 592 G CA 0.898 46.113 45.100 0.192 0.000 0.771 592 G HN 0.447 nan 8.290 nan 0.000 0.545 593 N N 0.975 119.769 118.700 0.157 0.000 2.142 593 N HA -0.125 4.618 4.740 0.005 0.000 0.186 593 N C 2.632 178.244 175.510 0.171 0.000 1.023 593 N CA 1.624 54.820 53.050 0.243 0.000 0.852 593 N CB -0.454 38.168 38.487 0.226 0.000 0.998 593 N HN 0.431 nan 8.380 nan 0.000 0.424 594 S N 0.539 116.285 115.700 0.077 0.000 2.387 594 S HA -0.020 4.453 4.470 0.005 0.000 0.226 594 S C 1.941 176.561 174.600 0.033 0.000 1.026 594 S CA 0.379 58.608 58.200 0.049 0.000 0.972 594 S CB -0.267 62.943 63.200 0.016 0.000 0.814 594 S HN 0.022 nan 8.310 nan 0.000 0.477 595 L N 1.764 122.934 121.223 -0.089 0.000 2.042 595 L HA 0.065 4.408 4.340 0.005 0.000 0.210 595 L C 2.427 179.382 176.870 0.143 0.000 1.076 595 L CA 1.341 56.088 54.840 -0.154 0.000 0.749 595 L CB -1.166 40.332 42.059 -0.936 0.000 0.893 595 L HN 0.408 nan 8.230 nan 0.000 0.432 596 I N -0.863 119.819 120.570 0.188 0.000 2.127 596 I HA -0.375 3.798 4.170 0.005 0.000 0.241 596 I C 2.637 178.992 176.117 0.396 0.000 1.075 596 I CA 1.314 62.838 61.300 0.373 0.000 1.334 596 I CB -0.298 37.943 38.000 0.402 0.000 1.040 596 I HN 0.271 nan 8.210 nan 0.000 0.405 597 R N -0.010 120.698 120.500 0.346 0.000 2.091 597 R HA -0.144 4.198 4.340 0.005 0.000 0.238 597 R C 2.310 178.744 176.300 0.224 0.000 1.136 597 R CA 1.990 58.271 56.100 0.302 0.000 0.959 597 R CB -0.902 29.526 30.300 0.213 0.000 0.856 597 R HN 0.366 nan 8.270 nan 0.000 0.437 598 T N 0.596 115.263 114.554 0.189 0.000 2.635 598 T HA -0.196 4.157 4.350 0.005 0.000 0.267 598 T C 1.602 176.378 174.700 0.127 0.000 1.040 598 T CA 1.643 63.809 62.100 0.110 0.000 1.156 598 T CB -0.411 68.485 68.868 0.047 0.000 0.863 598 T HN 0.242 nan 8.240 nan 0.000 0.430 599 Y N 0.660 121.052 120.300 0.153 0.000 2.181 599 Y HA -0.026 4.527 4.550 0.005 0.000 0.288 599 Y C 2.580 178.589 175.900 0.183 0.000 1.146 599 Y CA 1.147 59.350 58.100 0.173 0.000 1.164 599 Y CB -0.463 38.197 38.460 0.332 0.000 0.982 599 Y HN 0.143 nan 8.280 nan 0.000 0.515 600 M N -0.084 119.732 119.600 0.360 0.000 2.149 600 M HA -0.243 4.240 4.480 0.005 0.000 0.261 600 M C 2.261 178.698 176.300 0.228 0.000 1.064 600 M CA 1.877 57.337 55.300 0.267 0.000 1.102 600 M CB -0.126 32.555 32.600 0.135 0.000 1.369 600 M HN 0.195 nan 8.290 nan 0.000 0.408 601 E N 0.674 120.968 120.200 0.156 0.000 2.204 601 E HA -0.184 4.169 4.350 0.005 0.000 0.194 601 E C 1.796 178.417 176.600 0.034 0.000 0.989 601 E CA 1.109 57.561 56.400 0.085 0.000 0.824 601 E CB -0.119 29.617 29.700 0.060 0.000 0.756 601 E HN 0.593 nan 8.360 nan 0.000 0.477 602 R N 0.169 120.685 120.500 0.026 0.000 2.127 602 R HA -0.092 4.251 4.340 0.005 0.000 0.238 602 R C 1.403 177.665 176.300 -0.063 0.000 1.134 602 R CA 1.540 57.623 56.100 -0.029 0.000 0.975 602 R CB 0.055 30.321 30.300 -0.057 0.000 0.865 602 R HN 0.177 nan 8.270 nan 0.000 0.447 603 D N -2.427 117.933 120.400 -0.067 0.000 2.480 603 D HA 0.106 4.749 4.640 0.005 0.000 0.243 603 D C -0.539 175.404 176.300 -0.595 0.000 1.120 603 D CA 0.381 54.189 54.000 -0.321 0.000 0.835 603 D CB 0.858 41.428 40.800 -0.384 0.000 1.204 603 D HN -0.000 nan 8.370 nan 0.000 0.513 604 Y N 0.055 120.311 120.300 -0.074 0.000 2.581 604 Y HA 0.426 4.979 4.550 0.005 0.000 0.345 604 Y C -0.102 175.745 175.900 -0.089 0.000 1.036 604 Y CA -0.926 57.118 58.100 -0.092 0.000 1.042 604 Y CB 1.562 39.958 38.460 -0.107 0.000 1.289 604 Y HN -0.323 nan 8.280 nan 0.000 0.471 605 I N 3.013 123.612 120.570 0.048 0.000 2.496 605 I HA 0.144 4.317 4.170 0.005 0.000 0.285 605 I C -0.312 175.845 176.117 0.067 0.000 1.080 605 I CA 0.157 61.431 61.300 -0.043 0.000 1.404 605 I CB 0.374 38.181 38.000 -0.321 0.000 1.403 605 I HN 0.345 nan 8.210 nan 0.000 0.539 606 I N 8.973 129.586 120.570 0.073 0.000 2.436 606 I HA 0.139 4.312 4.170 0.005 0.000 0.289 606 I C -1.923 174.273 176.117 0.131 0.000 1.083 606 I CA -1.458 59.916 61.300 0.124 0.000 1.372 606 I CB 0.102 38.187 38.000 0.142 0.000 1.408 606 I HN 0.323 nan 8.210 nan 0.000 0.516 607 P HA 0.115 nan 4.420 nan 0.000 0.272 607 P C 0.227 177.605 177.300 0.130 0.000 1.223 607 P CA -0.297 62.893 63.100 0.150 0.000 0.784 607 P CB 0.784 32.566 31.700 0.136 0.000 0.923 608 E N -0.007 120.254 120.200 0.102 0.000 2.107 608 E HA -0.052 4.301 4.350 0.005 0.000 0.191 608 E C 0.563 177.208 176.600 0.075 0.000 0.982 608 E CA 0.701 57.145 56.400 0.074 0.000 0.809 608 E CB 0.011 29.748 29.700 0.062 0.000 0.756 608 E HN 0.535 nan 8.360 nan 0.000 0.459 609 S N -0.494 115.258 115.700 0.087 0.000 2.584 609 S HA 0.060 4.533 4.470 0.005 0.000 0.273 609 S C 0.718 175.397 174.600 0.132 0.000 1.311 609 S CA -0.807 57.454 58.200 0.103 0.000 1.034 609 S CB 1.103 64.354 63.200 0.085 0.000 0.939 609 S HN 0.201 nan 8.310 nan 0.000 0.513 610 F N 2.992 122.956 119.950 0.022 0.000 2.095 610 F HA -0.129 4.401 4.527 0.005 0.000 0.298 610 F C 2.483 178.315 175.800 0.053 0.000 1.104 610 F CA 2.266 60.268 58.000 0.002 0.000 1.232 610 F CB -0.350 38.643 39.000 -0.011 0.000 0.987 610 F HN 0.828 nan 8.300 nan 0.000 0.475 611 E N -0.260 119.930 120.200 -0.016 0.000 2.106 611 E HA -0.205 4.148 4.350 0.005 0.000 0.192 611 E C 1.581 178.143 176.600 -0.062 0.000 0.984 611 E CA 1.495 57.831 56.400 -0.107 0.000 0.806 611 E CB -0.922 28.784 29.700 0.011 0.000 0.750 611 E HN 0.417 nan 8.360 nan 0.000 0.458 612 D N 0.601 121.007 120.400 0.010 0.000 2.149 612 D HA -0.081 4.562 4.640 0.005 0.000 0.201 612 D C 1.707 178.021 176.300 0.024 0.000 0.972 612 D CA 0.641 54.688 54.000 0.079 0.000 0.835 612 D CB -0.584 40.266 40.800 0.084 0.000 0.966 612 D HN 0.204 nan 8.370 nan 0.000 0.476 613 F N 1.457 121.299 119.950 -0.178 0.000 2.095 613 F HA -0.233 4.297 4.527 0.005 0.000 0.298 613 F C 2.113 177.678 175.800 -0.391 0.000 1.104 613 F CA 1.106 58.942 58.000 -0.273 0.000 1.232 613 F CB -0.257 38.563 39.000 -0.301 0.000 0.987 613 F HN -0.213 nan 8.300 nan 0.000 0.475 614 V N 0.162 119.822 119.914 -0.423 0.000 2.287 614 V HA -0.343 3.780 4.120 0.005 0.000 0.248 614 V C 2.154 178.053 176.094 -0.325 0.000 1.053 614 V CA 2.314 64.339 62.300 -0.459 0.000 1.027 614 V CB -1.264 30.290 31.823 -0.449 0.000 0.646 614 V HN 0.629 nan 8.190 nan 0.000 0.447 615 Y N 1.095 121.234 120.300 -0.268 0.000 2.097 615 Y HA -0.244 4.309 4.550 0.005 0.000 0.282 615 Y C 2.327 178.053 175.900 -0.291 0.000 1.152 615 Y CA 2.063 60.057 58.100 -0.176 0.000 1.136 615 Y CB -0.773 37.665 38.460 -0.036 0.000 0.975 615 Y HN 0.055 nan 8.280 nan 0.000 0.498 616 V N 0.735 120.138 119.914 -0.852 0.000 2.490 616 V HA -0.224 3.899 4.120 0.005 0.000 0.250 616 V C 2.669 178.212 176.094 -0.919 0.000 1.061 616 V CA 1.787 63.476 62.300 -1.019 0.000 1.064 616 V CB -1.619 29.774 31.823 -0.716 0.000 0.670 616 V HN 0.661 nan 8.190 nan 0.000 0.461 617 G N -0.181 108.125 108.800 -0.823 0.000 2.432 617 G HA2 -0.195 3.768 3.960 0.005 0.000 0.219 617 G HA3 -0.195 3.768 3.960 0.005 0.000 0.219 617 G C 1.579 176.176 174.900 -0.504 0.000 1.135 617 G CA 0.801 45.516 45.100 -0.643 0.000 0.767 617 G HN 0.476 nan 8.290 nan 0.000 0.550 618 L N 0.072 120.968 121.223 -0.546 0.000 2.056 618 L HA -0.049 4.294 4.340 0.005 0.000 0.207 618 L C 2.981 179.416 176.870 -0.725 0.000 1.078 618 L CA 0.370 54.850 54.840 -0.600 0.000 0.749 618 L CB -0.425 41.246 42.059 -0.645 0.000 0.901 618 L HN 0.081 nan 8.230 nan 0.000 0.433 619 V N 0.078 119.553 119.914 -0.732 0.000 2.295 619 V HA -0.295 3.828 4.120 0.005 0.000 0.246 619 V C 2.401 178.149 176.094 -0.576 0.000 1.049 619 V CA 1.796 63.711 62.300 -0.642 0.000 1.024 619 V CB -0.443 30.984 31.823 -0.660 0.000 0.648 619 V HN 0.356 nan 8.190 nan 0.000 0.447 620 L N 0.179 120.996 121.223 -0.676 0.000 1.989 620 L HA -0.250 4.093 4.340 0.005 0.000 0.211 620 L C 2.513 179.088 176.870 -0.493 0.000 1.071 620 L CA 2.492 57.039 54.840 -0.488 0.000 0.749 620 L CB -0.886 40.920 42.059 -0.422 0.000 0.890 620 L HN 0.395 nan 8.230 nan 0.000 0.431 621 Q N -0.715 118.838 119.800 -0.413 0.000 2.124 621 Q HA -0.170 4.173 4.340 0.005 0.000 0.202 621 Q C 2.018 177.724 176.000 -0.491 0.000 0.977 621 Q CA 1.758 57.349 55.803 -0.354 0.000 0.850 621 Q CB -0.465 28.169 28.738 -0.173 0.000 0.901 621 Q HN 0.696 nan 8.270 nan 0.000 0.429 622 G N 0.359 108.858 108.800 -0.501 0.000 2.402 622 G HA2 -0.244 3.719 3.960 0.005 0.000 0.216 622 G HA3 -0.244 3.719 3.960 0.005 0.000 0.216 622 G C 1.383 176.017 174.900 -0.443 0.000 1.162 622 G CA 0.448 45.262 45.100 -0.476 0.000 0.777 622 G HN 0.284 nan 8.290 nan 0.000 0.539 623 Q N 0.314 119.849 119.800 -0.441 0.000 2.083 623 Q HA -0.009 4.334 4.340 0.005 0.000 0.198 623 Q C 2.837 178.504 176.000 -0.555 0.000 0.969 623 Q CA 1.374 56.946 55.803 -0.385 0.000 0.838 623 Q CB -0.722 27.858 28.738 -0.262 0.000 0.900 623 Q HN 0.438 nan 8.270 nan 0.000 0.436 624 G N 0.668 108.850 108.800 -1.030 0.000 2.402 624 G HA2 -0.193 3.770 3.960 0.005 0.000 0.216 624 G HA3 -0.193 3.770 3.960 0.005 0.000 0.216 624 G C 1.483 175.809 174.900 -0.956 0.000 1.162 624 G CA 0.494 44.426 45.100 -1.946 0.000 0.777 624 G HN 0.133 nan 8.290 nan 0.000 0.539 625 M N 1.255 120.439 119.600 -0.694 0.000 2.086 625 M HA -0.052 4.431 4.480 0.005 0.000 0.261 625 M C 2.635 178.806 176.300 -0.216 0.000 1.067 625 M CA 1.658 56.756 55.300 -0.336 0.000 1.116 625 M CB -0.883 31.412 32.600 -0.508 0.000 1.348 625 M HN 0.399 nan 8.290 nan 0.000 0.407 626 R N -0.847 119.466 120.500 -0.312 0.000 2.115 626 R HA -0.158 4.185 4.340 0.005 0.000 0.230 626 R C 1.931 178.139 176.300 -0.155 0.000 1.111 626 R CA 1.927 57.878 56.100 -0.249 0.000 0.976 626 R CB -1.515 28.626 30.300 -0.266 0.000 0.870 626 R HN 0.401 nan 8.270 nan 0.000 0.445 627 H N 0.004 118.941 119.070 -0.221 0.000 2.387 627 H HA 0.038 4.597 4.556 0.005 0.000 0.299 627 H C 1.982 177.208 175.328 -0.171 0.000 1.099 627 H CA 2.215 58.166 56.048 -0.161 0.000 1.315 627 H CB -0.477 29.198 29.762 -0.144 0.000 1.380 627 H HN 0.400 nan 8.280 nan 0.000 0.513 628 G N 0.218 108.962 108.800 -0.093 0.000 2.404 628 G HA2 -0.186 3.777 3.960 0.005 0.000 0.215 628 G HA3 -0.186 3.777 3.960 0.005 0.000 0.215 628 G C 1.716 176.227 174.900 -0.649 0.000 1.174 628 G CA 0.786 45.668 45.100 -0.363 0.000 0.780 628 G HN 0.400 nan 8.290 nan 0.000 0.537 629 L N 0.207 121.351 121.223 -0.133 0.000 2.043 629 L HA -0.147 4.196 4.340 0.005 0.000 0.212 629 L C 2.870 179.672 176.870 -0.112 0.000 1.075 629 L CA 1.558 56.400 54.840 0.002 0.000 0.752 629 L CB -0.506 41.523 42.059 -0.050 0.000 0.891 629 L HN 0.299 nan 8.230 nan 0.000 0.432 630 E N 0.104 120.175 120.200 -0.217 0.000 2.051 630 E HA -0.229 4.124 4.350 0.005 0.000 0.192 630 E C 2.341 178.763 176.600 -0.296 0.000 0.991 630 E CA 1.196 57.458 56.400 -0.231 0.000 0.799 630 E CB -0.223 29.326 29.700 -0.252 0.000 0.748 630 E HN 0.501 nan 8.360 nan 0.000 0.449 631 A N 0.812 123.377 122.820 -0.425 0.000 1.948 631 A HA -0.255 4.068 4.320 0.005 0.000 0.220 631 A C 1.677 179.145 177.584 -0.193 0.000 1.177 631 A CA 1.879 53.694 52.037 -0.370 0.000 0.636 631 A CB -0.879 17.873 19.000 -0.413 0.000 0.815 631 A HN 0.360 nan 8.150 nan 0.000 0.449 632 H N -1.335 117.682 119.070 -0.089 0.000 2.372 632 H HA 0.044 4.603 4.556 0.005 0.000 0.301 632 H C 2.435 177.817 175.328 0.090 0.000 1.065 632 H CA 0.920 56.994 56.048 0.043 0.000 1.364 632 H CB -0.002 29.804 29.762 0.073 0.000 1.406 632 H HN 0.387 nan 8.280 nan 0.000 0.521 633 R N 0.721 121.199 120.500 -0.035 0.000 2.096 633 R HA -0.097 4.246 4.340 0.005 0.000 0.235 633 R C 2.353 178.458 176.300 -0.326 0.000 1.127 633 R CA 1.008 56.773 56.100 -0.558 0.000 0.968 633 R CB -0.138 29.872 30.300 -0.483 0.000 0.861 633 R HN 0.266 nan 8.270 nan 0.000 0.440 634 R N 0.871 121.235 120.500 -0.227 0.000 2.115 634 R HA -0.038 4.305 4.340 0.005 0.000 0.230 634 R C 1.063 177.249 176.300 -0.190 0.000 1.111 634 R CA 1.180 57.117 56.100 -0.273 0.000 0.976 634 R CB 0.050 30.090 30.300 -0.433 0.000 0.870 634 R HN 0.178 nan 8.270 nan 0.000 0.445 635 N N 1.112 119.764 118.700 -0.079 0.000 2.313 635 N HA -0.053 4.690 4.740 0.005 0.000 0.207 635 N C -0.263 175.343 175.510 0.160 0.000 1.141 635 N CA -0.035 53.036 53.050 0.036 0.000 0.830 635 N CB 0.206 38.733 38.487 0.067 0.000 1.008 635 N HN 0.204 nan 8.380 nan 0.000 0.481 636 R N 2.431 123.007 120.500 0.126 0.000 2.623 636 R HA 0.039 4.382 4.340 0.005 0.000 0.271 636 R C -1.482 174.905 176.300 0.146 0.000 1.043 636 R CA -0.641 55.571 56.100 0.187 0.000 1.083 636 R CB 0.670 31.037 30.300 0.111 0.000 0.974 636 R HN 0.005 nan 8.270 nan 0.000 0.436 637 P HA -0.053 nan 4.420 nan 0.000 0.257 637 P C 0.700 178.099 177.300 0.164 0.000 1.241 637 P CA 0.326 63.508 63.100 0.137 0.000 0.816 637 P CB -0.061 31.670 31.700 0.052 0.000 1.150 638 Y N 1.155 121.519 120.300 0.108 0.000 2.069 638 Y HA -0.216 4.337 4.550 0.004 0.000 0.278 638 Y C 1.223 177.213 175.900 0.150 0.000 1.175 638 Y CA 1.437 59.610 58.100 0.122 0.000 1.134 638 Y CB -0.719 37.808 38.460 0.111 0.000 0.965 638 Y HN 0.022 nan 8.280 nan 0.000 0.498 639 C N 2.384 121.880 119.300 0.328 0.000 2.307 639 C HA 0.362 4.825 4.460 0.005 0.000 0.340 639 C C 0.641 175.797 174.990 0.277 0.000 1.275 639 C CA -0.763 58.401 59.018 0.244 0.000 1.811 639 C CB -0.364 27.554 27.740 0.296 0.000 2.372 639 C HN 0.607 nan 8.230 nan 0.000 0.531 640 M N 4.850 124.493 119.600 0.070 0.000 2.502 640 M HA 0.319 4.802 4.480 0.005 0.000 0.351 640 M C 0.486 176.290 176.300 -0.827 0.000 1.118 640 M CA 0.165 55.419 55.300 -0.078 0.000 0.952 640 M CB -0.003 32.719 32.600 0.205 0.000 1.424 640 M HN 0.986 nan 8.290 nan 0.000 0.529 641 G N -0.438 107.552 108.800 -1.351 0.000 2.411 641 G HA2 0.375 4.338 3.960 0.005 0.000 0.295 641 G HA3 0.375 4.338 3.960 0.005 0.000 0.295 641 G C -1.651 172.466 174.900 -1.305 0.000 1.542 641 G CA -0.385 43.636 45.100 -1.798 0.000 0.814 641 G HN -0.088 nan 8.290 nan 0.000 0.557 642 T N 0.358 114.454 114.554 -0.762 0.000 3.109 642 T HA 0.585 4.938 4.350 0.005 0.000 0.311 642 T C -1.205 173.475 174.700 -0.033 0.000 1.011 642 T CA -0.454 61.506 62.100 -0.234 0.000 1.026 642 T CB 0.537 69.570 68.868 0.274 0.000 1.047 642 T HN 0.591 nan 8.240 nan 0.000 0.448 643 L N 6.619 127.848 121.223 0.010 0.000 2.342 643 L HA 0.539 4.882 4.340 0.005 0.000 0.276 643 L C -0.264 176.642 176.870 0.060 0.000 0.997 643 L CA -1.316 53.509 54.840 -0.026 0.000 0.838 643 L CB 1.035 43.035 42.059 -0.099 0.000 1.224 643 L HN 0.722 nan 8.230 nan 0.000 0.416 644 Y N 0.432 120.751 120.300 0.032 0.000 2.314 644 Y HA 0.331 4.884 4.550 0.005 0.000 0.334 644 Y C -0.359 175.428 175.900 -0.189 0.000 1.266 644 Y CA -0.864 57.123 58.100 -0.189 0.000 1.391 644 Y CB 0.902 39.088 38.460 -0.457 0.000 1.306 644 Y HN 0.565 nan 8.280 nan 0.000 0.558 645 W N 6.127 127.360 121.300 -0.111 0.000 2.291 645 W HA 0.374 5.037 4.660 0.005 0.000 0.312 645 W C -1.540 174.992 176.519 0.021 0.000 1.061 645 W CA -0.642 56.638 57.345 -0.109 0.000 1.296 645 W CB 1.240 30.704 29.460 0.007 0.000 1.223 645 W HN 0.929 nan 8.180 nan 0.000 0.421 646 Q N 3.857 123.420 119.800 -0.394 0.000 2.501 646 Q HA 0.258 4.601 4.340 0.005 0.000 0.288 646 Q C -0.382 175.301 176.000 -0.528 0.000 1.051 646 Q CA -0.865 54.310 55.803 -1.047 0.000 0.788 646 Q CB 1.907 29.492 28.738 -1.922 0.000 1.469 646 Q HN 0.366 nan 8.270 nan 0.000 0.416 647 L N 1.235 122.081 121.223 -0.630 0.000 2.027 647 L HA -0.002 4.341 4.340 0.005 0.000 0.206 647 L C 0.085 176.730 176.870 -0.375 0.000 1.074 647 L CA 2.137 56.742 54.840 -0.393 0.000 0.745 647 L CB -0.277 41.552 42.059 -0.383 0.000 0.898 647 L HN 0.912 nan 8.230 nan 0.000 0.433 648 N N -2.511 115.878 118.700 -0.519 0.000 2.902 648 N HA 0.273 5.016 4.740 0.005 0.000 0.268 648 N C -1.621 173.591 175.510 -0.497 0.000 1.450 648 N CA -0.678 52.107 53.050 -0.442 0.000 0.819 648 N CB 1.117 39.358 38.487 -0.409 0.000 1.540 648 N HN -0.141 nan 8.380 nan 0.000 0.545 649 D N -0.960 119.234 120.400 -0.343 0.000 2.527 649 D HA 0.302 4.945 4.640 0.005 0.000 0.233 649 D C 0.374 176.618 176.300 -0.092 0.000 1.063 649 D CA -0.361 53.487 54.000 -0.254 0.000 0.880 649 D CB 2.256 42.981 40.800 -0.125 0.000 1.457 649 D HN 0.594 nan 8.370 nan 0.000 0.475 650 S N 0.201 115.914 115.700 0.022 0.000 2.524 650 S HA 0.131 4.604 4.470 0.005 0.000 0.216 650 S C 0.447 175.086 174.600 0.065 0.000 0.987 650 S CA -0.128 58.169 58.200 0.161 0.000 0.909 650 S CB 0.253 63.640 63.200 0.312 0.000 0.781 650 S HN 0.606 nan 8.310 nan 0.000 0.521 651 W N -0.814 120.135 121.300 -0.584 0.000 2.929 651 W HA 0.483 5.146 4.660 0.005 0.000 0.363 651 W C -3.893 172.155 176.519 -0.784 0.000 1.168 651 W CA -2.366 54.089 57.345 -1.483 0.000 1.163 651 W CB -0.266 28.141 29.460 -1.755 0.000 1.455 651 W HN -0.244 nan 8.180 nan 0.000 0.568 652 P HA 0.329 nan 4.420 nan 0.000 0.270 652 P C -0.434 176.202 177.300 -1.107 0.000 1.242 652 P CA 0.596 63.383 63.100 -0.522 0.000 0.768 652 P CB 1.092 32.824 31.700 0.053 0.000 0.820 653 V N 4.184 123.646 119.914 -0.754 0.000 3.278 653 V HA 0.212 4.335 4.120 0.005 0.000 0.288 653 V C -1.145 174.690 176.094 -0.432 0.000 1.514 653 V CA -0.886 60.910 62.300 -0.840 0.000 1.051 653 V CB 2.439 33.606 31.823 -1.093 0.000 1.163 653 V HN 0.012 nan 8.190 nan 0.000 0.458 654 V N 4.413 124.059 119.914 -0.447 0.000 2.488 654 V HA 0.750 4.873 4.120 0.005 0.000 0.277 654 V C 0.398 176.233 176.094 -0.431 0.000 1.046 654 V CA 1.041 63.039 62.300 -0.504 0.000 0.986 654 V CB 0.700 32.047 31.823 -0.793 0.000 0.989 654 V HN 1.225 nan 8.190 nan 0.000 0.475 655 S N 3.989 119.417 115.700 -0.452 0.000 2.703 655 S HA 0.394 4.867 4.470 0.005 0.000 0.273 655 S C -0.244 174.042 174.600 -0.525 0.000 1.178 655 S CA -0.837 57.089 58.200 -0.458 0.000 0.838 655 S CB 1.003 64.181 63.200 -0.036 0.000 1.178 655 S HN 0.535 nan 8.310 nan 0.000 0.494 656 W N 2.476 123.649 121.300 -0.211 0.000 3.180 656 W HA 0.179 4.842 4.660 0.005 0.000 0.254 656 W C 1.176 177.522 176.519 -0.289 0.000 1.318 656 W CA 0.202 57.402 57.345 -0.241 0.000 1.608 656 W CB -0.571 28.892 29.460 0.005 0.000 1.124 656 W HN 0.785 nan 8.180 nan 0.000 0.694 657 S N 0.547 116.162 115.700 -0.143 0.000 2.584 657 S HA 0.061 4.534 4.470 0.005 0.000 0.270 657 S C 1.225 175.705 174.600 -0.200 0.000 1.346 657 S CA 0.222 58.290 58.200 -0.220 0.000 1.018 657 S CB 1.620 64.663 63.200 -0.261 0.000 0.899 657 S HN 0.116 nan 8.310 nan 0.000 0.542 658 S N 0.589 116.192 115.700 -0.163 0.000 2.502 658 S HA 0.338 4.811 4.470 0.005 0.000 0.215 658 S C 0.239 174.713 174.600 -0.210 0.000 1.009 658 S CA -0.440 57.656 58.200 -0.173 0.000 0.908 658 S CB -0.552 62.614 63.200 -0.057 0.000 0.801 658 S HN 0.696 nan 8.310 nan 0.000 0.505 659 I N 3.439 123.860 120.570 -0.249 0.000 2.468 659 I HA 0.323 4.496 4.170 0.005 0.000 0.285 659 I C -0.899 175.124 176.117 -0.156 0.000 1.039 659 I CA -0.970 60.184 61.300 -0.243 0.000 1.074 659 I CB 1.892 39.654 38.000 -0.397 0.000 1.228 659 I HN 0.150 nan 8.210 nan 0.000 0.436 660 D N 4.644 125.008 120.400 -0.059 0.000 2.372 660 D HA -0.133 4.510 4.640 0.005 0.000 0.243 660 D C 1.020 177.311 176.300 -0.014 0.000 1.297 660 D CA 0.023 54.013 54.000 -0.016 0.000 0.958 660 D CB 0.542 41.389 40.800 0.078 0.000 1.114 660 D HN 0.539 nan 8.370 nan 0.000 0.496 661 Y N -0.295 119.913 120.300 -0.153 0.000 2.256 661 Y HA -0.198 4.355 4.550 0.005 0.000 0.288 661 Y C 1.157 176.866 175.900 -0.318 0.000 1.155 661 Y CA 1.389 59.319 58.100 -0.284 0.000 1.203 661 Y CB -0.331 37.876 38.460 -0.422 0.000 0.980 661 Y HN 0.417 nan 8.280 nan 0.000 0.530 662 Y N -0.178 120.083 120.300 -0.065 0.000 2.490 662 Y HA 0.272 4.825 4.550 0.005 0.000 0.281 662 Y C 1.918 177.777 175.900 -0.068 0.000 1.174 662 Y CA 0.398 58.437 58.100 -0.102 0.000 1.295 662 Y CB 0.012 38.501 38.460 0.047 0.000 1.062 662 Y HN 0.211 nan 8.280 nan 0.000 0.522 663 G N 0.072 108.886 108.800 0.024 0.000 2.141 663 G HA2 -0.272 3.691 3.960 0.005 0.000 0.242 663 G HA3 -0.272 3.691 3.960 0.005 0.000 0.242 663 G C -0.264 174.739 174.900 0.171 0.000 0.982 663 G CA -0.264 44.867 45.100 0.052 0.000 0.662 663 G HN 0.311 nan 8.290 nan 0.000 0.527 664 N N 0.487 119.306 118.700 0.198 0.000 2.470 664 N HA 0.267 5.010 4.740 0.005 0.000 0.268 664 N C 0.022 175.709 175.510 0.295 0.000 1.136 664 N CA -0.001 53.209 53.050 0.267 0.000 0.961 664 N CB 0.488 39.134 38.487 0.266 0.000 1.067 664 N HN 0.226 nan 8.380 nan 0.000 0.468 665 W N 2.459 123.763 121.300 0.007 0.000 2.308 665 W HA 0.151 4.814 4.660 0.005 0.000 0.324 665 W C 1.131 177.690 176.519 0.066 0.000 1.387 665 W CA -0.339 56.948 57.345 -0.097 0.000 1.250 665 W CB 0.005 29.249 29.460 -0.359 0.000 1.257 665 W HN 0.220 nan 8.180 nan 0.000 0.554 666 K N 2.053 122.527 120.400 0.124 0.000 2.155 666 K HA 0.467 4.790 4.320 0.005 0.000 0.237 666 K C 1.274 177.798 176.600 -0.127 0.000 1.040 666 K CA -0.170 56.071 56.287 -0.076 0.000 0.912 666 K CB 0.521 32.880 32.500 -0.235 0.000 1.137 666 K HN 0.412 nan 8.250 nan 0.000 0.498 667 A N 0.907 123.227 122.820 -0.834 0.000 1.908 667 A HA -0.189 4.134 4.320 0.005 0.000 0.218 667 A C 2.020 179.416 177.584 -0.315 0.000 1.181 667 A CA 1.629 53.127 52.037 -0.898 0.000 0.627 667 A CB -0.614 17.507 19.000 -1.465 0.000 0.818 667 A HN 0.619 nan 8.150 nan 0.000 0.445 668 L N -0.861 120.117 121.223 -0.408 0.000 2.129 668 L HA -0.213 4.130 4.340 0.005 0.000 0.212 668 L C 2.172 178.805 176.870 -0.395 0.000 1.087 668 L CA 2.767 57.348 54.840 -0.432 0.000 0.757 668 L CB -0.925 40.827 42.059 -0.512 0.000 0.896 668 L HN 0.599 nan 8.230 nan 0.000 0.434 669 H N -2.208 116.634 119.070 -0.380 0.000 2.395 669 H HA -0.116 4.443 4.556 0.005 0.000 0.299 669 H C 1.861 176.945 175.328 -0.406 0.000 1.070 669 H CA 2.128 57.841 56.048 -0.558 0.000 1.356 669 H CB -0.134 29.043 29.762 -0.975 0.000 1.401 669 H HN 0.452 nan 8.280 nan 0.000 0.524 670 Y N 0.141 120.485 120.300 0.074 0.000 2.224 670 Y HA -0.205 4.348 4.550 0.005 0.000 0.289 670 Y C 2.555 178.431 175.900 -0.040 0.000 1.146 670 Y CA 1.089 59.301 58.100 0.188 0.000 1.182 670 Y CB -0.096 38.536 38.460 0.286 0.000 0.983 670 Y HN 0.260 nan 8.280 nan 0.000 0.524 671 Q N -0.135 119.657 119.800 -0.013 0.000 2.119 671 Q HA -0.114 4.229 4.340 0.005 0.000 0.201 671 Q C 2.614 178.420 176.000 -0.323 0.000 0.972 671 Q CA 1.205 56.912 55.803 -0.159 0.000 0.847 671 Q CB -0.623 27.972 28.738 -0.238 0.000 0.903 671 Q HN 0.535 nan 8.270 nan 0.000 0.433 672 A N 1.957 124.477 122.820 -0.499 0.000 1.883 672 A HA -0.252 4.071 4.320 0.005 0.000 0.217 672 A C 2.165 179.403 177.584 -0.577 0.000 1.186 672 A CA 2.000 53.591 52.037 -0.744 0.000 0.624 672 A CB -0.562 17.997 19.000 -0.735 0.000 0.822 672 A HN 0.349 nan 8.150 nan 0.000 0.444 673 K N -0.328 119.857 120.400 -0.358 0.000 2.044 673 K HA -0.233 4.090 4.320 0.005 0.000 0.210 673 K C 2.244 178.831 176.600 -0.023 0.000 1.049 673 K CA 1.807 58.028 56.287 -0.111 0.000 0.927 673 K CB -0.245 32.261 32.500 0.011 0.000 0.713 673 K HN 0.476 nan 8.250 nan 0.000 0.443 674 R N -0.068 120.410 120.500 -0.038 0.000 2.070 674 R HA -0.096 4.247 4.340 0.005 0.000 0.233 674 R C 2.456 178.731 176.300 -0.041 0.000 1.137 674 R CA 1.439 57.532 56.100 -0.012 0.000 0.945 674 R CB -0.492 29.806 30.300 -0.003 0.000 0.845 674 R HN 0.306 nan 8.270 nan 0.000 0.430 675 A N 0.251 122.984 122.820 -0.145 0.000 2.121 675 A HA -0.086 4.237 4.320 0.005 0.000 0.218 675 A C 1.215 178.825 177.584 0.044 0.000 1.154 675 A CA 1.009 52.962 52.037 -0.139 0.000 0.679 675 A CB -0.180 18.645 19.000 -0.293 0.000 0.795 675 A HN 0.201 nan 8.150 nan 0.000 0.458 676 F N -0.494 119.435 119.950 -0.036 0.000 2.695 676 F HA 0.456 4.986 4.527 0.005 0.000 0.303 676 F C 1.428 177.217 175.800 -0.018 0.000 1.091 676 F CA -0.988 56.997 58.000 -0.024 0.000 1.300 676 F CB -0.875 38.107 39.000 -0.029 0.000 1.071 676 F HN 0.164 nan 8.300 nan 0.000 0.578 677 A N 1.789 124.700 122.820 0.152 0.000 2.584 677 A HA 0.081 4.404 4.320 0.005 0.000 0.239 677 A C -1.149 176.483 177.584 0.080 0.000 1.043 677 A CA -0.688 51.406 52.037 0.096 0.000 0.756 677 A CB -0.282 18.757 19.000 0.065 0.000 0.963 677 A HN 0.078 nan 8.150 nan 0.000 0.511 678 P HA -0.126 nan 4.420 nan 0.000 0.217 678 P C 0.183 177.519 177.300 0.060 0.000 1.158 678 P CA 1.267 64.409 63.100 0.071 0.000 0.887 678 P CB -0.027 31.719 31.700 0.078 0.000 0.792 679 V N 0.052 119.997 119.914 0.051 0.000 2.495 679 V HA 0.437 4.560 4.120 0.005 0.000 0.298 679 V C -0.250 175.865 176.094 0.034 0.000 1.031 679 V CA -0.688 61.636 62.300 0.040 0.000 0.871 679 V CB 1.694 33.540 31.823 0.038 0.000 0.988 679 V HN -0.150 nan 8.190 nan 0.000 0.432 680 L N 6.175 127.414 121.223 0.026 0.000 2.436 680 L HA 0.667 5.010 4.340 0.005 0.000 0.268 680 L C -0.830 176.055 176.870 0.024 0.000 0.974 680 L CA -0.095 54.758 54.840 0.022 0.000 0.826 680 L CB 1.897 43.963 42.059 0.012 0.000 1.291 680 L HN 0.572 nan 8.230 nan 0.000 0.406 681 I N 4.546 125.130 120.570 0.024 0.000 2.312 681 I HA 0.288 4.461 4.170 0.005 0.000 0.291 681 I C 0.079 176.215 176.117 0.032 0.000 1.031 681 I CA 0.036 61.353 61.300 0.029 0.000 1.293 681 I CB 0.605 38.616 38.000 0.018 0.000 1.403 681 I HN 0.643 nan 8.210 nan 0.000 0.484 682 N N 9.056 127.788 118.700 0.053 0.000 2.621 682 N HA 0.347 5.090 4.740 0.005 0.000 0.237 682 N C -2.677 172.875 175.510 0.069 0.000 0.997 682 N CA -1.593 51.481 53.050 0.039 0.000 0.918 682 N CB 1.399 39.885 38.487 -0.002 0.000 1.122 682 N HN 0.232 nan 8.380 nan 0.000 0.510 683 P HA 0.232 nan 4.420 nan 0.000 0.286 683 P C -0.880 176.405 177.300 -0.026 0.000 1.269 683 P CA -0.435 62.639 63.100 -0.043 0.000 0.787 683 P CB 1.440 33.001 31.700 -0.232 0.000 0.920 684 I N 2.148 122.733 120.570 0.024 0.000 2.478 684 I HA 0.336 4.509 4.170 0.005 0.000 0.287 684 I C -0.903 175.283 176.117 0.115 0.000 1.042 684 I CA -0.840 60.509 61.300 0.081 0.000 1.067 684 I CB 1.926 39.943 38.000 0.028 0.000 1.233 684 I HN 0.275 nan 8.210 nan 0.000 0.431 685 Q N 6.880 126.794 119.800 0.189 0.000 2.333 685 Q HA 0.616 4.959 4.340 0.005 0.000 0.268 685 Q C -1.671 174.442 176.000 0.188 0.000 1.007 685 Q CA -0.534 55.397 55.803 0.212 0.000 0.810 685 Q CB 1.278 30.219 28.738 0.338 0.000 1.264 685 Q HN 0.746 nan 8.270 nan 0.000 0.452 686 Q N 2.390 122.281 119.800 0.151 0.000 2.416 686 Q HA 0.370 4.713 4.340 0.005 0.000 0.281 686 Q C -0.830 175.232 176.000 0.104 0.000 1.067 686 Q CA -0.981 54.895 55.803 0.120 0.000 0.809 686 Q CB 1.790 30.591 28.738 0.105 0.000 1.418 686 Q HN 0.778 nan 8.270 nan 0.000 0.411 687 N N 2.155 120.905 118.700 0.084 0.000 2.714 687 N HA -0.239 4.504 4.740 0.005 0.000 0.252 687 N C -0.782 174.772 175.510 0.074 0.000 1.014 687 N CA 1.491 54.583 53.050 0.068 0.000 0.735 687 N CB -0.746 37.776 38.487 0.058 0.000 0.924 687 N HN 0.966 nan 8.380 nan 0.000 0.540 688 D N -1.445 119.006 120.400 0.086 0.000 2.911 688 D HA -0.176 4.467 4.640 0.005 0.000 0.227 688 D C -0.600 175.769 176.300 0.115 0.000 1.164 688 D CA 1.716 55.770 54.000 0.091 0.000 0.782 688 D CB -0.682 40.154 40.800 0.060 0.000 1.094 688 D HN 0.575 nan 8.370 nan 0.000 0.425 689 S N -1.104 114.676 115.700 0.135 0.000 2.599 689 S HA 0.743 5.216 4.470 0.005 0.000 0.287 689 S C -1.540 173.176 174.600 0.192 0.000 1.105 689 S CA -0.952 57.341 58.200 0.156 0.000 0.899 689 S CB 1.455 64.718 63.200 0.104 0.000 1.100 689 S HN 0.277 nan 8.310 nan 0.000 0.482 690 L N 2.943 124.307 121.223 0.234 0.000 2.333 690 L HA 0.734 5.077 4.340 0.005 0.000 0.280 690 L C -0.522 176.454 176.870 0.177 0.000 1.004 690 L CA 0.206 55.188 54.840 0.236 0.000 0.820 690 L CB 1.746 44.034 42.059 0.383 0.000 1.247 690 L HN 0.614 nan 8.230 nan 0.000 0.416 691 S N 3.053 118.846 115.700 0.154 0.000 2.593 691 S HA 0.817 5.290 4.470 0.005 0.000 0.297 691 S C -0.951 173.758 174.600 0.182 0.000 1.112 691 S CA -0.571 57.717 58.200 0.148 0.000 1.043 691 S CB 1.900 65.230 63.200 0.217 0.000 1.054 691 S HN 0.435 nan 8.310 nan 0.000 0.516 692 V N 3.027 123.031 119.914 0.150 0.000 2.487 692 V HA 0.468 4.591 4.120 0.005 0.000 0.298 692 V C -1.417 174.710 176.094 0.054 0.000 1.028 692 V CA -0.644 61.740 62.300 0.140 0.000 0.860 692 V CB 0.957 32.846 31.823 0.110 0.000 0.991 692 V HN 0.851 nan 8.190 nan 0.000 0.427 693 Y N 3.946 124.253 120.300 0.010 0.000 2.446 693 Y HA 0.683 5.236 4.550 0.005 0.000 0.338 693 Y C -0.023 175.873 175.900 -0.007 0.000 1.055 693 Y CA -0.896 57.204 58.100 0.001 0.000 1.101 693 Y CB 2.032 40.483 38.460 -0.016 0.000 1.221 693 Y HN 0.410 nan 8.280 nan 0.000 0.460 694 L N 4.821 126.123 121.223 0.131 0.000 2.313 694 L HA 0.569 4.912 4.340 0.005 0.000 0.283 694 L C -0.954 175.967 176.870 0.084 0.000 1.013 694 L CA -0.535 54.352 54.840 0.078 0.000 0.816 694 L CB 1.325 43.405 42.059 0.035 0.000 1.236 694 L HN 0.499 nan 8.230 nan 0.000 0.419 695 I N 2.228 122.829 120.570 0.051 0.000 2.436 695 I HA 0.379 4.552 4.170 0.005 0.000 0.289 695 I C -0.219 175.904 176.117 0.010 0.000 1.010 695 I CA -0.217 61.093 61.300 0.015 0.000 1.098 695 I CB 2.139 40.118 38.000 -0.034 0.000 1.266 695 I HN 0.501 nan 8.210 nan 0.000 0.434 696 S N 3.729 119.438 115.700 0.015 0.000 2.538 696 S HA 0.408 4.881 4.470 0.005 0.000 0.288 696 S C -0.505 174.130 174.600 0.059 0.000 1.108 696 S CA -0.617 57.607 58.200 0.039 0.000 0.971 696 S CB 1.363 64.591 63.200 0.047 0.000 1.041 696 S HN 0.590 nan 8.310 nan 0.000 0.483 697 D N 2.809 123.267 120.400 0.098 0.000 2.462 697 D HA 0.200 4.843 4.640 0.005 0.000 0.221 697 D C 0.180 176.670 176.300 0.317 0.000 1.173 697 D CA -0.074 54.049 54.000 0.205 0.000 0.831 697 D CB 0.454 41.349 40.800 0.158 0.000 1.001 697 D HN 0.456 nan 8.370 nan 0.000 0.499 698 R N 0.338 120.947 120.500 0.182 0.000 2.641 698 R HA 0.250 4.593 4.340 0.005 0.000 0.269 698 R C 1.592 177.912 176.300 0.034 0.000 1.074 698 R CA -0.224 55.956 56.100 0.133 0.000 1.133 698 R CB 1.334 31.674 30.300 0.067 0.000 1.029 698 R HN -0.004 nan 8.270 nan 0.000 0.488 699 L N 0.981 122.139 121.223 -0.109 0.000 2.313 699 L HA -0.047 4.296 4.340 0.005 0.000 0.214 699 L C 0.604 177.387 176.870 -0.146 0.000 1.119 699 L CA 0.626 55.301 54.840 -0.275 0.000 0.809 699 L CB -0.395 41.403 42.059 -0.436 0.000 0.933 699 L HN 0.722 nan 8.230 nan 0.000 0.449 700 D N -1.100 119.255 120.400 -0.075 0.000 2.198 700 D HA 0.143 4.786 4.640 0.005 0.000 0.247 700 D C -0.282 176.005 176.300 -0.021 0.000 1.010 700 D CA -0.388 53.584 54.000 -0.046 0.000 0.880 700 D CB 1.385 42.165 40.800 -0.034 0.000 1.209 700 D HN -0.279 nan 8.370 nan 0.000 0.451 701 T N 1.571 116.115 114.554 -0.016 0.000 2.897 701 T HA 0.310 4.663 4.350 0.005 0.000 0.294 701 T C 0.411 175.111 174.700 0.001 0.000 1.004 701 T CA -0.366 61.731 62.100 -0.003 0.000 1.106 701 T CB 0.521 69.387 68.868 -0.003 0.000 0.949 701 T HN 0.257 nan 8.240 nan 0.000 0.520 702 M N 3.146 122.751 119.600 0.008 0.000 2.238 702 M HA 0.429 4.912 4.480 0.005 0.000 0.350 702 M C 0.072 176.380 176.300 0.013 0.000 1.138 702 M CA -0.508 54.798 55.300 0.011 0.000 1.040 702 M CB 1.519 34.129 32.600 0.016 0.000 1.639 702 M HN 0.534 nan 8.290 nan 0.000 0.451 703 E N 1.469 121.677 120.200 0.014 0.000 2.277 703 E HA 0.335 4.688 4.350 0.005 0.000 0.266 703 E C -0.838 175.776 176.600 0.022 0.000 0.901 703 E CA -0.776 55.633 56.400 0.015 0.000 0.782 703 E CB 1.869 31.576 29.700 0.011 0.000 1.228 703 E HN 0.607 nan 8.360 nan 0.000 0.424 704 Q N 0.656 120.472 119.800 0.026 0.000 2.487 704 Q HA -0.181 4.162 4.340 0.005 0.000 0.279 704 Q C -0.477 175.553 176.000 0.050 0.000 1.228 704 Q CA 0.487 56.312 55.803 0.037 0.000 0.873 704 Q CB -0.949 27.807 28.738 0.031 0.000 1.260 704 Q HN 0.446 nan 8.270 nan 0.000 0.471 705 M N 0.166 119.791 119.600 0.042 0.000 2.314 705 M HA 0.332 4.815 4.480 0.005 0.000 0.342 705 M C 0.554 176.876 176.300 0.036 0.000 1.171 705 M CA 0.287 55.610 55.300 0.038 0.000 1.098 705 M CB 1.099 33.712 32.600 0.022 0.000 1.559 705 M HN -0.085 nan 8.290 nan 0.000 0.459 706 T N 3.300 117.866 114.554 0.020 0.000 2.786 706 T HA 0.542 4.895 4.350 0.005 0.000 0.283 706 T C -0.718 173.926 174.700 -0.093 0.000 0.992 706 T CA -0.574 61.493 62.100 -0.055 0.000 0.954 706 T CB 1.268 70.122 68.868 -0.024 0.000 0.934 706 T HN 0.511 nan 8.240 nan 0.000 0.440 707 L N 3.567 124.706 121.223 -0.140 0.000 2.276 707 L HA 0.589 4.932 4.340 0.005 0.000 0.286 707 L C -0.041 176.713 176.870 -0.192 0.000 1.061 707 L CA -0.101 54.658 54.840 -0.134 0.000 0.807 707 L CB 0.804 42.789 42.059 -0.123 0.000 1.177 707 L HN 0.656 nan 8.230 nan 0.000 0.429 708 E N 5.680 125.792 120.200 -0.145 0.000 2.199 708 E HA 0.533 4.886 4.350 0.005 0.000 0.265 708 E C -1.484 175.050 176.600 -0.109 0.000 0.882 708 E CA -0.620 55.696 56.400 -0.140 0.000 0.759 708 E CB 1.205 30.847 29.700 -0.095 0.000 1.148 708 E HN 0.753 nan 8.360 nan 0.000 0.412 709 M N 3.606 123.130 119.600 -0.127 0.000 2.602 709 M HA 0.476 4.959 4.480 0.005 0.000 0.312 709 M C -0.981 175.310 176.300 -0.015 0.000 1.181 709 M CA -0.791 54.466 55.300 -0.070 0.000 0.910 709 M CB 2.303 34.836 32.600 -0.112 0.000 1.723 709 M HN 0.382 nan 8.290 nan 0.000 0.459 710 K N 0.285 120.704 120.400 0.031 0.000 2.557 710 K HA 0.605 4.928 4.320 0.005 0.000 0.257 710 K C -1.906 174.709 176.600 0.024 0.000 0.933 710 K CA -0.912 55.399 56.287 0.040 0.000 0.820 710 K CB 1.616 34.118 32.500 0.005 0.000 1.330 710 K HN 0.458 nan 8.250 nan 0.000 0.432 711 V N 3.013 122.954 119.914 0.045 0.000 2.488 711 V HA 0.313 4.436 4.120 0.005 0.000 0.277 711 V C -0.392 175.581 176.094 -0.202 0.000 1.046 711 V CA -0.456 61.817 62.300 -0.044 0.000 0.986 711 V CB 1.063 32.890 31.823 0.006 0.000 0.989 711 V HN 0.565 nan 8.190 nan 0.000 0.475 712 V N 4.519 124.149 119.914 -0.473 0.000 2.656 712 V HA 0.413 4.536 4.120 0.005 0.000 0.307 712 V C -0.312 175.421 176.094 -0.603 0.000 1.051 712 V CA -0.915 61.057 62.300 -0.546 0.000 0.893 712 V CB 2.145 33.569 31.823 -0.665 0.000 0.999 712 V HN 1.019 nan 8.190 nan 0.000 0.426 713 D N 2.774 123.000 120.400 -0.291 0.000 2.433 713 D HA 0.176 4.819 4.640 0.005 0.000 0.255 713 D C 0.713 177.103 176.300 0.150 0.000 1.226 713 D CA -0.461 53.422 54.000 -0.194 0.000 1.015 713 D CB 0.509 41.192 40.800 -0.195 0.000 1.091 713 D HN 0.222 nan 8.370 nan 0.000 0.527 714 F N -0.566 119.446 119.950 0.102 0.000 2.604 714 F HA 0.029 4.559 4.527 0.005 0.000 0.298 714 F C 1.529 177.393 175.800 0.106 0.000 1.131 714 F CA 0.248 58.356 58.000 0.181 0.000 1.457 714 F CB -0.622 38.476 39.000 0.163 0.000 1.095 714 F HN 0.288 nan 8.300 nan 0.000 0.574 715 D N -1.078 119.452 120.400 0.218 0.000 2.367 715 D HA 0.193 4.836 4.640 0.005 0.000 0.207 715 D C 2.169 178.528 176.300 0.098 0.000 1.034 715 D CA 1.112 55.186 54.000 0.124 0.000 0.861 715 D CB 0.543 41.389 40.800 0.077 0.000 0.943 715 D HN 0.336 nan 8.370 nan 0.000 0.515 716 G N 1.306 110.168 108.800 0.102 0.000 2.192 716 G HA2 -0.212 3.751 3.960 0.005 0.000 0.193 716 G HA3 -0.212 3.751 3.960 0.005 0.000 0.193 716 G C 0.322 175.237 174.900 0.025 0.000 0.999 716 G CA -0.318 44.830 45.100 0.081 0.000 0.659 716 G HN 0.256 nan 8.290 nan 0.000 0.503 717 K N 1.830 122.228 120.400 -0.003 0.000 2.248 717 K HA 0.492 4.815 4.320 0.005 0.000 0.281 717 K C 0.160 176.722 176.600 -0.063 0.000 1.054 717 K CA -0.222 56.051 56.287 -0.023 0.000 0.903 717 K CB 0.359 32.848 32.500 -0.019 0.000 1.077 717 K HN 0.040 nan 8.250 nan 0.000 0.474 718 T N 5.165 119.688 114.554 -0.052 0.000 2.908 718 T HA 0.064 4.417 4.350 0.005 0.000 0.301 718 T C 0.221 174.888 174.700 -0.055 0.000 1.019 718 T CA 0.057 62.121 62.100 -0.061 0.000 1.152 718 T CB 0.070 68.919 68.868 -0.031 0.000 0.966 718 T HN 0.406 nan 8.240 nan 0.000 0.540 719 L N 3.642 124.825 121.223 -0.066 0.000 2.275 719 L HA 0.570 4.913 4.340 0.005 0.000 0.288 719 L C 1.321 178.193 176.870 0.003 0.000 1.046 719 L CA -0.580 54.231 54.840 -0.048 0.000 0.805 719 L CB 0.556 42.562 42.059 -0.087 0.000 1.193 719 L HN 0.974 nan 8.230 nan 0.000 0.426 720 G N 2.055 110.863 108.800 0.014 0.000 2.552 720 G HA2 -0.168 3.795 3.960 0.005 0.000 0.265 720 G HA3 -0.168 3.795 3.960 0.005 0.000 0.265 720 G C -0.326 174.592 174.900 0.030 0.000 1.234 720 G CA 0.166 45.291 45.100 0.041 0.000 0.944 720 G HN 0.895 nan 8.290 nan 0.000 0.568 721 K N -0.160 120.263 120.400 0.038 0.000 2.350 721 K HA 0.824 5.147 4.320 0.005 0.000 0.241 721 K C 0.377 176.988 176.600 0.018 0.000 0.994 721 K CA 0.110 56.408 56.287 0.018 0.000 0.839 721 K CB 0.826 nan 32.500 nan 0.000 1.244 721 K HN 0.906 nan 8.250 nan 0.000 0.443 722 K N 0.458 120.859 120.400 0.002 0.000 2.469 722 K HA 0.240 4.563 4.320 0.005 0.000 0.274 722 K C -0.331 176.247 176.600 -0.038 0.000 0.983 722 K CA 0.279 56.558 56.287 -0.013 0.000 0.974 722 K CB 0.116 32.606 32.500 -0.017 0.000 0.913 722 K HN 0.511 nan 8.250 nan 0.000 0.493 723 I N 2.967 123.490 120.570 -0.078 0.000 2.378 723 I HA 0.108 4.281 4.170 0.005 0.000 0.291 723 I C -0.135 175.877 176.117 -0.176 0.000 0.992 723 I CA -0.596 60.622 61.300 -0.136 0.000 1.154 723 I CB 1.498 39.362 38.000 -0.226 0.000 1.315 723 I HN 0.320 nan 8.210 nan 0.000 0.448 724 Q N 6.249 125.950 119.800 -0.164 0.000 2.333 724 Q HA 0.468 4.811 4.340 0.005 0.000 0.268 724 Q C -1.119 174.706 176.000 -0.291 0.000 1.007 724 Q CA -0.729 54.905 55.803 -0.281 0.000 0.810 724 Q CB 3.004 31.588 28.738 -0.257 0.000 1.264 724 Q HN 0.392 nan 8.270 nan 0.000 0.452 725 V N 3.864 123.580 119.914 -0.329 0.000 2.313 725 V HA 0.267 4.390 4.120 0.005 0.000 0.278 725 V C 0.080 176.022 176.094 -0.253 0.000 1.017 725 V CA -0.699 61.486 62.300 -0.192 0.000 0.823 725 V CB 0.570 32.351 31.823 -0.071 0.000 1.010 725 V HN 0.656 nan 8.190 nan 0.000 0.443 726 H N 2.221 121.286 119.070 -0.010 0.000 2.499 726 H HA 0.402 4.961 4.556 0.004 0.000 0.352 726 H C 0.847 176.172 175.328 -0.004 0.000 1.237 726 H CA 0.107 56.150 56.048 -0.008 0.000 1.343 726 H CB 1.583 31.340 29.762 -0.009 0.000 1.578 726 H HN 0.732 nan 8.280 nan 0.000 0.577 727 S N 0.089 115.879 115.700 0.151 0.000 3.749 727 S HA -0.157 4.316 4.470 0.005 0.000 0.348 727 S C 0.101 174.728 174.600 0.044 0.000 1.045 727 S CA 0.024 58.270 58.200 0.076 0.000 1.051 727 S CB -1.779 61.457 63.200 0.060 0.000 0.898 727 S HN 0.360 nan 8.310 nan 0.000 0.472 728 L N 1.010 122.254 121.223 0.035 0.000 2.325 728 L HA 0.510 4.853 4.340 0.005 0.000 0.279 728 L C 0.686 177.565 176.870 0.016 0.000 1.054 728 L CA -0.186 54.663 54.840 0.016 0.000 0.804 728 L CB 1.099 43.159 42.059 0.002 0.000 1.200 728 L HN 0.297 nan 8.230 nan 0.000 0.436 729 E N 1.728 121.934 120.200 0.011 0.000 2.191 729 E HA 0.437 4.790 4.350 0.005 0.000 0.274 729 E C -1.441 175.166 176.600 0.011 0.000 0.948 729 E CA -0.632 55.775 56.400 0.011 0.000 0.802 729 E CB 2.227 31.933 29.700 0.010 0.000 1.137 729 E HN 0.282 nan 8.360 nan 0.000 0.397 730 V N 5.914 125.837 119.914 0.014 0.000 2.315 730 V HA 0.253 4.376 4.120 0.005 0.000 0.265 730 V C -2.363 173.743 176.094 0.019 0.000 1.019 730 V CA -1.728 60.583 62.300 0.018 0.000 0.824 730 V CB 0.642 32.477 31.823 0.021 0.000 1.072 730 V HN 0.605 nan 8.190 nan 0.000 0.448 731 P HA 0.153 nan 4.420 nan 0.000 0.268 731 P C 0.232 177.545 177.300 0.022 0.000 1.208 731 P CA 0.202 63.312 63.100 0.017 0.000 0.777 731 P CB 0.627 32.338 31.700 0.019 0.000 0.875 732 A N 3.022 125.849 122.820 0.012 0.000 2.565 732 A HA -0.014 4.309 4.320 0.005 0.000 0.237 732 A C 0.803 178.414 177.584 0.045 0.000 1.053 732 A CA 0.190 52.236 52.037 0.015 0.000 0.755 732 A CB -1.010 17.973 19.000 -0.028 0.000 0.980 732 A HN 0.740 nan 8.150 nan 0.000 0.506 733 N N -0.180 118.572 118.700 0.087 0.000 2.727 733 N HA -0.157 4.586 4.740 0.005 0.000 0.249 733 N C 0.057 175.620 175.510 0.088 0.000 1.048 733 N CA 1.642 54.770 53.050 0.130 0.000 0.714 733 N CB -1.491 37.103 38.487 0.179 0.000 0.959 733 N HN 1.219 nan 8.380 nan 0.000 0.544 734 T N -4.071 110.518 114.554 0.059 0.000 2.906 734 T HA 0.644 4.997 4.350 0.005 0.000 0.295 734 T C -0.245 174.478 174.700 0.038 0.000 1.075 734 T CA -0.739 61.391 62.100 0.049 0.000 1.005 734 T CB 2.729 71.626 68.868 0.049 0.000 1.136 734 T HN 0.056 nan 8.240 nan 0.000 0.498 735 S N 0.651 116.383 115.700 0.054 0.000 2.519 735 S HA 0.678 5.151 4.470 0.005 0.000 0.309 735 S C -1.194 173.512 174.600 0.177 0.000 1.100 735 S CA -0.738 57.518 58.200 0.093 0.000 1.059 735 S CB 0.195 63.416 63.200 0.035 0.000 1.008 735 S HN 0.758 nan 8.310 nan 0.000 0.478 736 K N 2.529 123.044 120.400 0.193 0.000 2.498 736 K HA 0.417 4.740 4.320 0.005 0.000 0.254 736 K C -1.343 175.161 176.600 -0.161 0.000 0.933 736 K CA -0.714 55.622 56.287 0.081 0.000 0.806 736 K CB 1.850 34.362 32.500 0.020 0.000 1.301 736 K HN 0.645 nan 8.250 nan 0.000 0.432 737 C N 3.057 122.052 119.300 -0.509 0.000 2.499 737 C HA 0.294 4.757 4.460 0.005 0.000 0.386 737 C C 1.423 176.209 174.990 -0.340 0.000 1.293 737 C CA -0.228 58.285 59.018 -0.843 0.000 1.884 737 C CB -0.842 26.360 27.740 -0.896 0.000 2.509 737 C HN 0.695 nan 8.230 nan 0.000 0.566 738 V N 3.342 123.119 119.914 -0.229 0.000 3.432 738 V HA 0.398 4.521 4.120 0.005 0.000 0.298 738 V C -0.294 175.810 176.094 0.017 0.000 1.464 738 V CA -0.055 62.197 62.300 -0.080 0.000 1.046 738 V CB -0.809 30.994 31.823 -0.034 0.000 0.887 738 V HN 0.813 nan 8.190 nan 0.000 0.441 739 Y N 0.787 120.990 120.300 -0.163 0.000 2.376 739 Y HA 0.721 5.274 4.550 0.004 0.000 0.321 739 Y C -0.803 175.033 175.900 -0.106 0.000 1.189 739 Y CA -1.076 56.951 58.100 -0.123 0.000 1.069 739 Y CB 1.572 39.970 38.460 -0.103 0.000 1.292 739 Y HN 0.264 nan 8.280 nan 0.000 0.430 740 R N 4.261 124.302 120.500 -0.767 0.000 2.604 740 R HA 0.958 5.301 4.340 0.005 0.000 0.281 740 R C -2.000 173.875 176.300 -0.709 0.000 1.020 740 R CA -0.601 55.186 56.100 -0.522 0.000 0.899 740 R CB 1.815 31.961 30.300 -0.257 0.000 1.205 740 R HN 0.818 nan 8.270 nan 0.000 0.450 741 A N 1.882 124.485 122.820 -0.361 0.000 2.547 741 A HA 0.475 4.798 4.320 0.005 0.000 0.297 741 A C -1.308 176.311 177.584 0.059 0.000 1.056 741 A CA -0.855 51.051 52.037 -0.217 0.000 0.688 741 A CB 1.733 20.553 19.000 -0.299 0.000 1.282 741 A HN 0.465 nan 8.150 nan 0.000 0.400 742 K N 1.503 121.944 120.400 0.069 0.000 2.270 742 K HA 0.338 4.661 4.320 0.005 0.000 0.276 742 K C 1.275 178.040 176.600 0.276 0.000 1.023 742 K CA -0.325 56.045 56.287 0.139 0.000 0.955 742 K CB 0.979 33.523 32.500 0.075 0.000 0.975 742 K HN 0.603 nan 8.250 nan 0.000 0.471 743 L N 0.181 121.547 121.223 0.239 0.000 2.109 743 L HA -0.033 4.310 4.340 0.005 0.000 0.207 743 L C 1.089 178.021 176.870 0.103 0.000 1.086 743 L CA 0.720 55.663 54.840 0.171 0.000 0.760 743 L CB -0.244 41.822 42.059 0.012 0.000 0.910 743 L HN 0.694 nan 8.230 nan 0.000 0.437 744 D N 0.303 120.752 120.400 0.081 0.000 2.434 744 D HA 0.231 4.874 4.640 0.005 0.000 0.252 744 D C 1.115 177.461 176.300 0.076 0.000 1.185 744 D CA 1.259 55.289 54.000 0.050 0.000 0.886 744 D CB 0.824 41.645 40.800 0.035 0.000 1.148 744 D HN 0.337 nan 8.370 nan 0.000 0.483 745 G N 3.316 112.152 108.800 0.060 0.000 2.176 745 G HA2 -0.322 3.641 3.960 0.005 0.000 0.253 745 G HA3 -0.322 3.641 3.960 0.005 0.000 0.253 745 G C 0.713 175.705 174.900 0.153 0.000 0.979 745 G CA 0.527 45.672 45.100 0.075 0.000 0.641 745 G HN 0.553 nan 8.290 nan 0.000 0.530 746 W N 0.647 121.913 121.300 -0.056 0.000 2.846 746 W HA 0.640 5.303 4.660 0.005 0.000 0.273 746 W C 0.502 176.956 176.519 -0.109 0.000 1.081 746 W CA 0.876 58.182 57.345 -0.065 0.000 1.692 746 W CB -0.058 29.375 29.460 -0.046 0.000 1.106 746 W HN 0.162 nan 8.180 nan 0.000 0.577 747 L N 1.508 122.578 121.223 -0.254 0.000 2.370 747 L HA 0.416 4.759 4.340 0.005 0.000 0.266 747 L C 0.666 177.375 176.870 -0.268 0.000 1.002 747 L CA -0.803 53.774 54.840 -0.438 0.000 0.818 747 L CB 1.900 43.429 42.059 -0.883 0.000 1.325 747 L HN -0.143 nan 8.230 nan 0.000 0.418 748 T N -2.293 112.131 114.554 -0.217 0.000 2.847 748 T HA 0.342 4.695 4.350 0.005 0.000 0.279 748 T C -2.053 172.548 174.700 -0.165 0.000 0.984 748 T CA -1.707 60.304 62.100 -0.148 0.000 0.988 748 T CB 1.301 70.105 68.868 -0.107 0.000 1.040 748 T HN 0.343 nan 8.240 nan 0.000 0.528 749 P HA 0.082 nan 4.420 nan 0.000 0.220 749 P C 1.631 178.875 177.300 -0.092 0.000 1.148 749 P CA 1.548 64.593 63.100 -0.092 0.000 0.803 749 P CB -0.243 31.424 31.700 -0.056 0.000 0.782 750 E N 0.255 120.397 120.200 -0.097 0.000 2.112 750 E HA -0.178 4.175 4.350 0.005 0.000 0.190 750 E C 1.644 178.161 176.600 -0.139 0.000 0.979 750 E CA 1.319 57.663 56.400 -0.095 0.000 0.814 750 E CB -1.490 28.162 29.700 -0.081 0.000 0.762 750 E HN 0.261 nan 8.360 nan 0.000 0.460 751 D N 0.144 120.434 120.400 -0.184 0.000 2.097 751 D HA -0.122 4.521 4.640 0.005 0.000 0.195 751 D C 2.207 178.355 176.300 -0.254 0.000 0.989 751 D CA 1.556 55.406 54.000 -0.250 0.000 0.827 751 D CB -0.777 39.830 40.800 -0.322 0.000 0.966 751 D HN 0.527 nan 8.370 nan 0.000 0.456 752 C N 0.834 119.978 119.300 -0.259 0.000 2.403 752 C HA -0.134 4.329 4.460 0.005 0.000 0.277 752 C C 2.508 177.538 174.990 0.067 0.000 1.248 752 C CA 0.532 59.479 59.018 -0.118 0.000 1.762 752 C CB -1.014 26.650 27.740 -0.127 0.000 2.014 752 C HN 0.345 nan 8.230 nan 0.000 0.486 753 R N -0.234 120.265 120.500 -0.002 0.000 2.276 753 R HA 0.041 4.384 4.340 0.005 0.000 0.203 753 R C 1.840 178.124 176.300 -0.027 0.000 1.017 753 R CA 0.619 56.749 56.100 0.051 0.000 1.010 753 R CB -0.055 30.257 30.300 0.020 0.000 0.900 753 R HN 0.568 nan 8.270 nan 0.000 0.469 754 R N -0.438 119.884 120.500 -0.295 0.000 2.531 754 R HA 0.129 4.472 4.340 0.005 0.000 0.316 754 R C -0.419 175.028 176.300 -1.423 0.000 0.955 754 R CA 0.067 55.640 56.100 -0.878 0.000 1.120 754 R CB 1.280 31.296 30.300 -0.473 0.000 1.361 754 R HN 0.064 nan 8.270 nan 0.000 0.534 755 S N -0.421 114.880 115.700 -0.664 0.000 2.638 755 S HA 0.678 5.151 4.470 0.005 0.000 0.274 755 S C -0.813 173.943 174.600 0.259 0.000 1.157 755 S CA -0.999 57.051 58.200 -0.250 0.000 0.826 755 S CB 1.576 64.625 63.200 -0.251 0.000 1.139 755 S HN 0.147 nan 8.310 nan 0.000 0.474 756 F N -0.904 119.106 119.950 0.101 0.000 2.620 756 F HA 0.866 5.396 4.527 0.005 0.000 0.320 756 F C -1.344 174.389 175.800 -0.112 0.000 1.069 756 F CA -1.506 56.352 58.000 -0.237 0.000 0.953 756 F CB 0.889 39.439 39.000 -0.749 0.000 1.322 756 F HN 0.575 nan 8.300 nan 0.000 0.479 757 L N 2.820 123.993 121.223 -0.083 0.000 2.257 757 L HA 0.464 4.807 4.340 0.005 0.000 0.290 757 L C -0.303 176.637 176.870 0.117 0.000 1.044 757 L CA -0.286 54.577 54.840 0.038 0.000 0.810 757 L CB 0.851 42.940 42.059 0.050 0.000 1.193 757 L HN 0.744 nan 8.230 nan 0.000 0.425 758 K N 4.229 124.712 120.400 0.139 0.000 2.172 758 K HA 0.692 5.015 4.320 0.005 0.000 0.276 758 K C -1.536 175.099 176.600 0.060 0.000 1.013 758 K CA -0.495 55.874 56.287 0.137 0.000 0.913 758 K CB 0.709 33.306 32.500 0.162 0.000 1.055 758 K HN 0.515 nan 8.250 nan 0.000 0.461 759 L N 5.184 126.429 121.223 0.037 0.000 2.464 759 L HA 0.539 4.882 4.340 0.005 0.000 0.266 759 L C -0.861 176.008 176.870 -0.001 0.000 0.965 759 L CA -0.372 54.468 54.840 0.001 0.000 0.833 759 L CB 1.767 43.822 42.059 -0.006 0.000 1.296 759 L HN 0.537 nan 8.230 nan 0.000 0.405 760 I N 3.050 123.609 120.570 -0.018 0.000 2.730 760 I HA 0.498 4.671 4.170 0.005 0.000 0.298 760 I C -1.367 174.736 176.117 -0.023 0.000 1.089 760 I CA -0.859 60.435 61.300 -0.011 0.000 1.041 760 I CB 2.693 40.688 38.000 -0.007 0.000 1.235 760 I HN 0.353 nan 8.210 nan 0.000 0.423 761 L N 6.850 128.067 121.223 -0.009 0.000 2.322 761 L HA 0.561 4.904 4.340 0.005 0.000 0.281 761 L C -0.772 176.104 176.870 0.009 0.000 1.014 761 L CA -0.095 54.740 54.840 -0.008 0.000 0.815 761 L CB 1.066 43.127 42.059 0.002 0.000 1.247 761 L HN 0.580 nan 8.230 nan 0.000 0.421 762 K N 1.844 122.250 120.400 0.010 0.000 2.426 762 K HA 0.609 4.932 4.320 0.005 0.000 0.251 762 K C -1.161 175.470 176.600 0.052 0.000 0.941 762 K CA -0.843 55.466 56.287 0.035 0.000 0.808 762 K CB 1.957 34.472 32.500 0.026 0.000 1.265 762 K HN 0.556 nan 8.250 nan 0.000 0.432 763 D N 1.042 121.491 120.400 0.081 0.000 2.380 763 D HA -0.006 4.637 4.640 0.005 0.000 0.254 763 D C 0.925 177.279 176.300 0.090 0.000 1.288 763 D CA -0.371 53.678 54.000 0.083 0.000 1.008 763 D CB 0.530 41.380 40.800 0.083 0.000 1.099 763 D HN 0.422 nan 8.370 nan 0.000 0.537 764 K N -0.524 119.924 120.400 0.080 0.000 2.074 764 K HA -0.139 4.184 4.320 0.005 0.000 0.209 764 K C 1.815 178.461 176.600 0.077 0.000 1.048 764 K CA 1.778 58.107 56.287 0.071 0.000 0.926 764 K CB -0.752 31.779 32.500 0.051 0.000 0.713 764 K HN 0.609 nan 8.250 nan 0.000 0.444 765 S N -1.363 114.407 115.700 0.117 0.000 2.631 765 S HA 0.182 4.655 4.470 0.005 0.000 0.217 765 S C 1.134 175.757 174.600 0.038 0.000 0.958 765 S CA 0.561 58.832 58.200 0.118 0.000 0.920 765 S CB 0.211 63.541 63.200 0.217 0.000 0.776 765 S HN 0.423 nan 8.310 nan 0.000 0.517 766 G N 0.943 109.765 108.800 0.036 0.000 2.141 766 G HA2 -0.236 3.727 3.960 0.005 0.000 0.242 766 G HA3 -0.236 3.727 3.960 0.005 0.000 0.242 766 G C -0.271 174.546 174.900 -0.137 0.000 0.982 766 G CA -0.061 45.009 45.100 -0.051 0.000 0.662 766 G HN 0.710 nan 8.290 nan 0.000 0.527 767 H N 0.512 119.590 119.070 0.014 0.000 2.899 767 H HA 0.427 4.986 4.556 0.005 0.000 0.303 767 H C 0.736 176.070 175.328 0.011 0.000 1.042 767 H CA 0.485 56.540 56.048 0.011 0.000 1.479 767 H CB 0.778 30.546 29.762 0.011 0.000 1.493 767 H HN 0.500 nan 8.280 nan 0.000 0.534 768 Q N 3.244 123.095 119.800 0.085 0.000 2.289 768 Q HA 0.109 4.452 4.340 0.005 0.000 0.273 768 Q C 0.612 176.650 176.000 0.064 0.000 1.029 768 Q CA -0.292 55.543 55.803 0.054 0.000 0.896 768 Q CB 0.644 29.399 28.738 0.029 0.000 1.182 768 Q HN 0.732 nan 8.270 nan 0.000 0.385 769 V N 0.754 120.698 119.914 0.049 0.000 3.635 769 V HA 0.686 4.809 4.120 0.005 0.000 0.266 769 V C 0.147 176.261 176.094 0.033 0.000 1.316 769 V CA 0.556 62.882 62.300 0.043 0.000 1.060 769 V CB 0.140 31.988 31.823 0.040 0.000 0.820 769 V HN 0.688 nan 8.190 nan 0.000 0.447 770 A N 0.801 123.637 122.820 0.027 0.000 2.608 770 A HA 0.794 5.117 4.320 0.005 0.000 0.292 770 A C -1.142 176.452 177.584 0.016 0.000 1.066 770 A CA -0.109 51.941 52.037 0.023 0.000 0.676 770 A CB 1.428 20.442 19.000 0.023 0.000 1.277 770 A HN 0.754 nan 8.150 nan 0.000 0.413 771 E N -0.109 120.100 120.200 0.015 0.000 2.375 771 E HA 0.712 5.065 4.350 0.005 0.000 0.280 771 E C -1.052 175.557 176.600 0.015 0.000 0.972 771 E CA -0.617 55.790 56.400 0.012 0.000 0.782 771 E CB 1.855 31.561 29.700 0.009 0.000 1.229 771 E HN 0.772 nan 8.360 nan 0.000 0.439 772 S N 1.047 116.758 115.700 0.018 0.000 2.599 772 S HA 0.671 5.144 4.470 0.005 0.000 0.287 772 S C -1.301 173.317 174.600 0.029 0.000 1.105 772 S CA -0.565 57.651 58.200 0.026 0.000 0.899 772 S CB 1.758 64.976 63.200 0.030 0.000 1.100 772 S HN 0.452 nan 8.310 nan 0.000 0.482 773 V N 3.018 122.948 119.914 0.027 0.000 2.680 773 V HA 0.546 4.669 4.120 0.005 0.000 0.309 773 V C -0.881 175.218 176.094 0.009 0.000 1.052 773 V CA -0.720 61.574 62.300 -0.011 0.000 0.908 773 V CB 1.530 33.292 31.823 -0.101 0.000 1.001 773 V HN 0.986 nan 8.190 nan 0.000 0.431 774 H N 2.961 121.900 119.070 -0.219 0.000 2.589 774 H HA 0.678 5.237 4.556 0.005 0.000 0.351 774 H C -1.580 173.421 175.328 -0.545 0.000 1.074 774 H CA -0.628 55.262 56.048 -0.263 0.000 1.203 774 H CB 1.299 30.905 29.762 -0.259 0.000 1.558 774 H HN 0.454 nan 8.280 nan 0.000 0.522 775 F N 4.542 124.029 119.950 -0.772 0.000 2.422 775 F HA 0.236 4.766 4.527 0.005 0.000 0.333 775 F C 0.247 175.528 175.800 -0.865 0.000 1.095 775 F CA -0.592 57.042 58.000 -0.611 0.000 1.038 775 F CB 0.947 39.794 39.000 -0.254 0.000 1.156 775 F HN 0.573 nan 8.300 nan 0.000 0.483 776 F N 0.521 120.432 119.950 -0.064 0.000 2.569 776 F HA 0.210 4.740 4.527 0.005 0.000 0.295 776 F C 1.074 176.872 175.800 -0.004 0.000 1.115 776 F CA 0.358 58.335 58.000 -0.038 0.000 1.450 776 F CB -0.043 38.940 39.000 -0.028 0.000 1.107 776 F HN 0.153 nan 8.300 nan 0.000 0.563 777 R N 0.302 120.902 120.500 0.167 0.000 2.888 777 R HA 0.354 4.697 4.340 0.005 0.000 0.266 777 R C -0.266 176.025 176.300 -0.014 0.000 1.020 777 R CA -1.057 55.091 56.100 0.080 0.000 0.963 777 R CB 1.112 31.468 30.300 0.094 0.000 1.197 777 R HN -0.021 nan 8.270 nan 0.000 0.481 778 K N 0.443 120.798 120.400 -0.075 0.000 2.485 778 K HA -0.008 4.315 4.320 0.005 0.000 0.277 778 K C 0.987 177.452 176.600 -0.226 0.000 0.990 778 K CA 0.308 56.483 56.287 -0.186 0.000 0.994 778 K CB 0.404 32.790 32.500 -0.190 0.000 0.906 778 K HN 0.444 nan 8.250 nan 0.000 0.488 779 T N 2.635 116.954 114.554 -0.391 0.000 2.685 779 T HA -0.237 4.116 4.350 0.005 0.000 0.268 779 T C 1.609 176.181 174.700 -0.214 0.000 1.034 779 T CA 1.986 63.871 62.100 -0.359 0.000 1.149 779 T CB -0.143 68.416 68.868 -0.514 0.000 0.860 779 T HN 0.661 nan 8.240 nan 0.000 0.449 780 K N 0.856 121.099 120.400 -0.262 0.000 2.360 780 K HA -0.094 4.229 4.320 0.005 0.000 0.201 780 K C 1.101 177.630 176.600 -0.117 0.000 1.046 780 K CA 1.553 57.734 56.287 -0.176 0.000 0.945 780 K CB 0.022 32.419 32.500 -0.173 0.000 0.750 780 K HN 0.197 nan 8.250 nan 0.000 0.464 781 D N 0.877 121.226 120.400 -0.085 0.000 2.360 781 D HA 0.123 4.766 4.640 0.005 0.000 0.210 781 D C 0.396 176.722 176.300 0.044 0.000 1.047 781 D CA 0.133 54.117 54.000 -0.027 0.000 0.854 781 D CB 0.185 40.969 40.800 -0.027 0.000 0.936 781 D HN 0.178 nan 8.370 nan 0.000 0.514 782 L N 0.939 122.208 121.223 0.077 0.000 2.426 782 L HA 0.157 4.500 4.340 0.005 0.000 0.271 782 L C 0.727 177.748 176.870 0.251 0.000 1.169 782 L CA -0.137 54.836 54.840 0.222 0.000 0.836 782 L CB 0.558 42.747 42.059 0.216 0.000 1.112 782 L HN -0.326 nan 8.230 nan 0.000 0.465 783 Q N 2.864 122.874 119.800 0.351 0.000 3.006 783 Q HA 0.319 4.662 4.340 0.005 0.000 0.260 783 Q C -0.838 175.416 176.000 0.423 0.000 1.356 783 Q CA 0.002 55.977 55.803 0.286 0.000 1.070 783 Q CB 0.055 28.894 28.738 0.169 0.000 1.507 783 Q HN 0.432 nan 8.270 nan 0.000 0.568 784 L N 3.928 125.346 121.223 0.325 0.000 2.410 784 L HA 0.276 4.619 4.340 0.005 0.000 0.273 784 L C -1.863 175.124 176.870 0.195 0.000 1.144 784 L CA -1.658 53.311 54.840 0.214 0.000 0.863 784 L CB 0.223 42.342 42.059 0.099 0.000 1.140 784 L HN 0.321 nan 8.230 nan 0.000 0.463 785 P HA 0.284 nan 4.420 nan 0.000 0.284 785 P C -2.568 174.779 177.300 0.079 0.000 1.253 785 P CA -1.950 61.231 63.100 0.134 0.000 0.800 785 P CB 0.400 32.191 31.700 0.151 0.000 0.961 786 P HA 0.108 nan 4.420 nan 0.000 0.264 786 P C -0.122 177.206 177.300 0.047 0.000 1.183 786 P CA 1.045 64.174 63.100 0.048 0.000 0.763 786 P CB 0.281 32.001 31.700 0.032 0.000 0.807 787 T N 1.364 115.955 114.554 0.062 0.000 2.827 787 T HA 0.399 4.752 4.350 0.005 0.000 0.328 787 T C -1.448 173.281 174.700 0.048 0.000 1.598 787 T CA -0.438 61.669 62.100 0.011 0.000 1.043 787 T CB 0.595 69.411 68.868 -0.087 0.000 1.447 787 T HN 0.047 nan 8.240 nan 0.000 0.491 788 S N 1.654 117.360 115.700 0.010 0.000 2.478 788 S HA 0.573 5.046 4.470 0.005 0.000 0.312 788 S C -0.387 174.206 174.600 -0.012 0.000 1.094 788 S CA -0.531 57.688 58.200 0.033 0.000 1.081 788 S CB 1.195 64.419 63.200 0.039 0.000 1.007 788 S HN 0.603 nan 8.310 nan 0.000 0.475 789 V N 4.829 124.734 119.914 -0.014 0.000 2.387 789 V HA 0.250 4.372 4.120 0.005 0.000 0.260 789 V C 0.716 176.871 176.094 0.101 0.000 1.054 789 V CA -0.430 61.867 62.300 -0.004 0.000 0.967 789 V CB 0.058 31.854 31.823 -0.045 0.000 1.036 789 V HN 0.931 nan 8.190 nan 0.000 0.481 790 S N 5.624 121.402 115.700 0.129 0.000 2.652 790 S HA 0.816 5.289 4.470 0.005 0.000 0.270 790 S C -0.725 174.006 174.600 0.219 0.000 1.243 790 S CA -0.566 57.709 58.200 0.126 0.000 0.999 790 S CB 1.400 64.645 63.200 0.076 0.000 0.973 790 S HN 0.856 nan 8.310 nan 0.000 0.544 791 Y N -1.751 118.569 120.300 0.034 0.000 2.552 791 Y HA 0.638 5.191 4.550 0.005 0.000 0.337 791 Y C -1.173 174.733 175.900 0.011 0.000 1.094 791 Y CA -1.211 56.906 58.100 0.029 0.000 1.028 791 Y CB 0.817 39.282 38.460 0.008 0.000 1.321 791 Y HN 0.674 nan 8.280 nan 0.000 0.456 792 Q N 3.971 123.835 119.800 0.105 0.000 2.235 792 Q HA 0.597 4.940 4.340 0.005 0.000 0.256 792 Q C -1.173 174.934 176.000 0.177 0.000 0.951 792 Q CA -1.130 54.699 55.803 0.043 0.000 0.890 792 Q CB 2.862 31.609 28.738 0.014 0.000 1.279 792 Q HN 0.852 nan 8.270 nan 0.000 0.444 793 M N 2.188 121.867 119.600 0.132 0.000 2.259 793 M HA 0.394 4.877 4.480 0.005 0.000 0.304 793 M C -1.721 174.613 176.300 0.058 0.000 1.019 793 M CA -0.526 54.858 55.300 0.140 0.000 0.922 793 M CB 1.336 34.063 32.600 0.210 0.000 1.600 793 M HN 0.445 nan 8.290 nan 0.000 0.433 794 K N 4.582 125.004 120.400 0.036 0.000 2.449 794 K HA 0.339 4.662 4.320 0.005 0.000 0.257 794 K C -1.547 175.054 176.600 0.002 0.000 0.989 794 K CA -0.362 55.934 56.287 0.014 0.000 0.916 794 K CB 1.449 33.954 32.500 0.008 0.000 1.136 794 K HN 0.868 nan 8.250 nan 0.000 0.439 795 Q N 3.403 123.203 119.800 -0.001 0.000 2.348 795 Q HA 0.249 4.592 4.340 0.005 0.000 0.265 795 Q C -0.955 175.037 176.000 -0.013 0.000 0.998 795 Q CA -0.539 55.257 55.803 -0.011 0.000 0.831 795 Q CB 1.455 30.188 28.738 -0.009 0.000 1.251 795 Q HN 0.768 nan 8.270 nan 0.000 0.456 796 T N -0.136 114.407 114.554 -0.018 0.000 2.938 796 T HA 0.460 4.813 4.350 0.005 0.000 0.285 796 T C -0.422 174.266 174.700 -0.021 0.000 1.028 796 T CA -1.015 61.075 62.100 -0.016 0.000 1.005 796 T CB 0.950 69.809 68.868 -0.015 0.000 1.157 796 T HN 0.624 nan 8.240 nan 0.000 0.550 797 D N -1.054 119.336 120.400 -0.017 0.000 2.341 797 D HA 0.456 5.099 4.640 0.005 0.000 0.245 797 D C 1.445 177.730 176.300 -0.024 0.000 1.106 797 D CA 0.233 54.221 54.000 -0.020 0.000 0.905 797 D CB -0.075 40.716 40.800 -0.015 0.000 1.202 797 D HN 1.111 nan 8.370 nan 0.000 0.426 798 G N 0.353 109.135 108.800 -0.030 0.000 2.205 798 G HA2 -0.324 3.639 3.960 0.005 0.000 0.261 798 G HA3 -0.324 3.639 3.960 0.005 0.000 0.261 798 G C 0.259 175.128 174.900 -0.051 0.000 0.980 798 G CA 0.632 45.710 45.100 -0.036 0.000 0.632 798 G HN 0.840 nan 8.290 nan 0.000 0.533 799 K N -0.915 119.454 120.400 -0.051 0.000 2.557 799 K HA 0.607 4.930 4.320 0.005 0.000 0.257 799 K C -1.426 175.138 176.600 -0.059 0.000 0.933 799 K CA -0.504 55.747 56.287 -0.060 0.000 0.820 799 K CB 1.461 33.935 32.500 -0.045 0.000 1.330 799 K HN 0.253 nan 8.250 nan 0.000 0.432 800 C N 3.273 122.527 119.300 -0.077 0.000 2.442 800 C HA 0.368 4.830 4.460 0.005 0.000 0.335 800 C C -1.078 173.877 174.990 -0.057 0.000 1.134 800 C CA -0.831 58.148 59.018 -0.064 0.000 1.344 800 C CB 0.932 28.619 27.740 -0.087 0.000 1.956 800 C HN 0.808 nan 8.230 nan 0.000 0.438 801 E N 3.148 123.333 120.200 -0.025 0.000 2.146 801 E HA 0.546 4.899 4.350 0.005 0.000 0.282 801 E C -0.890 175.720 176.600 0.017 0.000 0.989 801 E CA -0.119 56.276 56.400 -0.010 0.000 0.799 801 E CB 1.068 30.766 29.700 -0.003 0.000 1.088 801 E HN 0.555 nan 8.360 nan 0.000 0.397 802 L N 2.446 123.682 121.223 0.022 0.000 2.329 802 L HA 0.457 4.800 4.340 0.005 0.000 0.279 802 L C -0.101 176.818 176.870 0.081 0.000 1.014 802 L CA -0.762 54.116 54.840 0.064 0.000 0.814 802 L CB 1.887 43.949 42.059 0.004 0.000 1.257 802 L HN 0.447 nan 8.230 nan 0.000 0.424 803 T N 3.711 118.337 114.554 0.121 0.000 2.791 803 T HA 0.573 4.926 4.350 0.005 0.000 0.288 803 T C -0.342 174.461 174.700 0.173 0.000 0.999 803 T CA -0.436 61.733 62.100 0.116 0.000 0.952 803 T CB 1.141 70.060 68.868 0.085 0.000 0.938 803 T HN 0.120 nan 8.240 nan 0.000 0.444 804 L N 3.595 124.920 121.223 0.171 0.000 2.334 804 L HA 0.737 5.080 4.340 0.005 0.000 0.275 804 L C -0.601 176.412 176.870 0.240 0.000 1.036 804 L CA -0.589 54.370 54.840 0.198 0.000 0.807 804 L CB 0.978 43.127 42.059 0.150 0.000 1.231 804 L HN 0.620 nan 8.230 nan 0.000 0.438 805 F N 1.318 121.301 119.950 0.056 0.000 2.596 805 F HA 0.686 5.216 4.527 0.005 0.000 0.311 805 F C -0.648 175.158 175.800 0.009 0.000 1.116 805 F CA -0.241 57.777 58.000 0.029 0.000 0.957 805 F CB 2.057 41.069 39.000 0.021 0.000 1.250 805 F HN 0.357 nan 8.300 nan 0.000 0.444 806 S N 2.435 117.622 115.700 -0.856 0.000 2.572 806 S HA 0.352 4.825 4.470 0.005 0.000 0.274 806 S C 0.301 174.375 174.600 -0.877 0.000 1.150 806 S CA 0.004 57.831 58.200 -0.622 0.000 0.944 806 S CB 1.366 64.356 63.200 -0.349 0.000 1.071 806 S HN 0.880 nan 8.310 nan 0.000 0.479 807 S N 4.584 119.997 115.700 -0.478 0.000 2.423 807 S HA 0.112 4.585 4.470 0.005 0.000 0.231 807 S C 0.791 175.317 174.600 -0.124 0.000 1.014 807 S CA 0.629 58.702 58.200 -0.212 0.000 0.965 807 S CB -0.434 62.802 63.200 0.060 0.000 0.785 807 S HN 0.684 nan 8.310 nan 0.000 0.495 808 M N 0.580 120.110 119.600 -0.117 0.000 2.762 808 M HA 0.491 4.974 4.480 0.005 0.000 0.306 808 M C -0.677 175.564 176.300 -0.098 0.000 1.223 808 M CA -1.102 54.175 55.300 -0.038 0.000 0.896 808 M CB 1.417 34.022 32.600 0.008 0.000 1.684 808 M HN 0.142 nan 8.290 nan 0.000 0.491 809 L N 2.032 123.239 121.223 -0.027 0.000 2.559 809 L HA 0.289 4.632 4.340 0.005 0.000 0.274 809 L C -0.472 176.233 176.870 -0.274 0.000 1.205 809 L CA 0.488 55.240 54.840 -0.148 0.000 0.907 809 L CB 0.086 42.022 42.059 -0.206 0.000 1.153 809 L HN 0.702 nan 8.230 nan 0.000 0.490 810 A N 5.336 127.955 122.820 -0.335 0.000 2.271 810 A HA 0.546 4.869 4.320 0.005 0.000 0.317 810 A C -0.395 177.013 177.584 -0.293 0.000 1.245 810 A CA -0.791 50.958 52.037 -0.481 0.000 0.857 810 A CB 0.584 19.174 19.000 -0.683 0.000 1.175 810 A HN 0.682 nan 8.150 nan 0.000 0.512 811 K N 2.361 122.640 120.400 -0.201 0.000 2.234 811 K HA 0.296 4.619 4.320 0.005 0.000 0.282 811 K C -0.389 176.159 176.600 -0.087 0.000 1.039 811 K CA 0.001 56.172 56.287 -0.193 0.000 0.928 811 K CB 0.307 32.669 32.500 -0.231 0.000 1.039 811 K HN 0.679 nan 8.250 nan 0.000 0.470 812 D N 2.932 123.258 120.400 -0.124 0.000 2.740 812 D HA -0.238 4.405 4.640 0.005 0.000 0.231 812 D C 0.003 176.293 176.300 -0.017 0.000 1.194 812 D CA 1.138 55.108 54.000 -0.051 0.000 0.673 812 D CB -1.203 39.585 40.800 -0.020 0.000 0.995 812 D HN 0.629 nan 8.370 nan 0.000 0.411 813 I N -2.477 117.932 120.570 -0.268 0.000 2.696 813 I HA 0.354 4.527 4.170 0.005 0.000 0.284 813 I C -0.031 175.765 176.117 -0.535 0.000 1.129 813 I CA -0.379 60.700 61.300 -0.369 0.000 1.410 813 I CB 0.580 38.278 38.000 -0.504 0.000 1.399 813 I HN -0.111 nan 8.210 nan 0.000 0.579 814 F N 7.573 127.083 119.950 -0.733 0.000 2.427 814 F HA 0.600 5.130 4.527 0.005 0.000 0.348 814 F C -0.721 174.654 175.800 -0.708 0.000 1.125 814 F CA -1.962 55.441 58.000 -0.995 0.000 0.989 814 F CB 0.970 39.454 39.000 -0.860 0.000 1.165 814 F HN 0.370 nan 8.300 nan 0.000 0.442 815 I N 5.664 125.830 120.570 -0.674 0.000 2.291 815 I HA 0.217 4.390 4.170 0.005 0.000 0.292 815 I C -0.060 175.609 176.117 -0.746 0.000 1.064 815 I CA -0.059 60.896 61.300 -0.575 0.000 1.269 815 I CB 0.621 38.462 38.000 -0.264 0.000 1.418 815 I HN 0.551 nan 8.210 nan 0.000 0.485 816 E N 6.090 125.733 120.200 -0.928 0.000 2.151 816 E HA 0.469 4.822 4.350 0.005 0.000 0.275 816 E C -0.767 175.605 176.600 -0.379 0.000 0.936 816 E CA -0.559 55.287 56.400 -0.924 0.000 0.777 816 E CB 1.272 30.252 29.700 -1.200 0.000 1.108 816 E HN 0.640 nan 8.360 nan 0.000 0.401 817 T N 1.207 115.665 114.554 -0.161 0.000 2.907 817 T HA 0.461 4.814 4.350 0.005 0.000 0.292 817 T C -2.147 172.519 174.700 -0.056 0.000 1.043 817 T CA -1.787 60.256 62.100 -0.095 0.000 1.003 817 T CB 1.743 70.570 68.868 -0.069 0.000 1.084 817 T HN 0.266 nan 8.240 nan 0.000 0.483 818 P HA 0.185 nan 4.420 nan 0.000 0.245 818 P C 0.331 177.614 177.300 -0.029 0.000 1.206 818 P CA -0.279 62.798 63.100 -0.038 0.000 0.781 818 P CB 0.043 31.721 31.700 -0.037 0.000 0.994 819 L N 2.311 123.516 121.223 -0.030 0.000 2.565 819 L HA 0.080 4.423 4.340 0.005 0.000 0.275 819 L C 0.490 177.356 176.870 -0.005 0.000 1.137 819 L CA 0.241 55.064 54.840 -0.028 0.000 0.915 819 L CB -0.835 41.194 42.059 -0.050 0.000 1.232 819 L HN -0.043 nan 8.230 nan 0.000 0.473 820 Q N 4.061 123.851 119.800 -0.016 0.000 2.286 820 Q HA 0.163 4.506 4.340 0.005 0.000 0.290 820 Q C 1.241 177.269 176.000 0.047 0.000 1.049 820 Q CA 0.967 56.770 55.803 0.001 0.000 0.923 820 Q CB 0.386 29.084 28.738 -0.067 0.000 1.183 820 Q HN 0.969 nan 8.270 nan 0.000 0.383 821 G N 1.710 110.567 108.800 0.096 0.000 2.168 821 G HA2 -0.328 3.635 3.960 0.005 0.000 0.263 821 G HA3 -0.328 3.635 3.960 0.005 0.000 0.263 821 G C 0.417 175.342 174.900 0.041 0.000 0.977 821 G CA 0.216 45.369 45.100 0.089 0.000 0.659 821 G HN 0.944 nan 8.290 nan 0.000 0.533 822 A N 0.035 122.866 122.820 0.019 0.000 2.565 822 A HA 0.542 4.865 4.320 0.005 0.000 0.237 822 A C 0.880 178.407 177.584 -0.094 0.000 1.053 822 A CA 0.661 52.642 52.037 -0.093 0.000 0.755 822 A CB 0.173 19.064 19.000 -0.180 0.000 0.980 822 A HN 0.595 nan 8.150 nan 0.000 0.506 823 R N 0.771 121.152 120.500 -0.198 0.000 2.532 823 R HA 0.548 4.891 4.340 0.005 0.000 0.295 823 R C -1.547 174.599 176.300 -0.256 0.000 0.968 823 R CA -0.245 55.742 56.100 -0.188 0.000 0.916 823 R CB 1.354 31.538 30.300 -0.193 0.000 1.124 823 R HN 0.763 nan 8.270 nan 0.000 0.463 824 Y N -0.523 119.672 120.300 -0.174 0.000 2.446 824 Y HA 0.081 4.634 4.550 0.005 0.000 0.345 824 Y C 1.469 177.339 175.900 -0.050 0.000 0.984 824 Y CA -0.663 57.403 58.100 -0.056 0.000 1.058 824 Y CB 2.276 40.764 38.460 0.047 0.000 1.220 824 Y HN 0.721 nan 8.280 nan 0.000 0.455 825 S N -0.323 115.446 115.700 0.115 0.000 2.399 825 S HA -0.083 4.390 4.470 0.005 0.000 0.231 825 S C 0.093 174.785 174.600 0.153 0.000 1.022 825 S CA 1.444 59.693 58.200 0.082 0.000 0.983 825 S CB 0.061 63.282 63.200 0.036 0.000 0.803 825 S HN 0.739 nan 8.310 nan 0.000 0.480 826 D N -0.607 119.920 120.400 0.211 0.000 2.663 826 D HA 0.585 5.228 4.640 0.005 0.000 0.233 826 D C -1.717 174.650 176.300 0.111 0.000 1.240 826 D CA -0.449 53.669 54.000 0.197 0.000 0.774 826 D CB 1.858 42.659 40.800 0.001 0.000 1.443 826 D HN 0.094 nan 8.370 nan 0.000 0.441 827 N N 0.421 118.945 118.700 -0.294 0.000 3.046 827 N HA 0.366 5.109 4.740 0.005 0.000 0.243 827 N C -1.178 174.013 175.510 -0.531 0.000 1.452 827 N CA -0.453 52.217 53.050 -0.633 0.000 0.882 827 N CB 0.804 38.577 38.487 -1.190 0.000 1.425 827 N HN 0.439 nan 8.380 nan 0.000 0.517 828 F N -0.004 119.595 119.950 -0.586 0.000 2.891 828 F HA -0.208 4.322 4.527 0.005 0.000 0.272 828 F C -0.573 175.096 175.800 -0.218 0.000 1.004 828 F CA 0.739 58.504 58.000 -0.391 0.000 0.938 828 F CB -1.698 37.104 39.000 -0.331 0.000 0.939 828 F HN 0.347 nan 8.300 nan 0.000 0.833 829 F N -2.077 117.827 119.950 -0.077 0.000 2.629 829 F HA 0.754 5.284 4.527 0.005 0.000 0.316 829 F C -0.348 175.398 175.800 -0.090 0.000 1.081 829 F CA -1.936 56.022 58.000 -0.070 0.000 0.954 829 F CB 0.989 39.941 39.000 -0.081 0.000 1.337 829 F HN -0.163 nan 8.300 nan 0.000 0.474 830 D N 2.438 122.951 120.400 0.188 0.000 2.277 830 D HA 0.276 4.919 4.640 0.005 0.000 0.249 830 D C -0.810 175.575 176.300 0.141 0.000 1.134 830 D CA -0.070 53.947 54.000 0.029 0.000 0.863 830 D CB 2.391 43.191 40.800 -0.001 0.000 1.143 830 D HN 0.545 nan 8.370 nan 0.000 0.458 831 L N 3.580 124.816 121.223 0.022 0.000 2.281 831 L HA 0.241 4.584 4.340 0.005 0.000 0.285 831 L C -0.676 176.136 176.870 -0.096 0.000 1.074 831 L CA -0.284 54.582 54.840 0.043 0.000 0.817 831 L CB 0.410 42.472 42.059 0.004 0.000 1.168 831 L HN 0.224 nan 8.230 nan 0.000 0.434 832 L N 7.154 128.329 121.223 -0.080 0.000 2.375 832 L HA 0.444 4.787 4.340 0.005 0.000 0.271 832 L C -1.856 174.986 176.870 -0.047 0.000 1.107 832 L CA -2.062 52.728 54.840 -0.083 0.000 0.806 832 L CB 0.558 42.597 42.059 -0.034 0.000 1.146 832 L HN 0.513 nan 8.230 nan 0.000 0.447 833 P HA -0.023 nan 4.420 nan 0.000 0.261 833 P C 0.792 178.065 177.300 -0.044 0.000 1.203 833 P CA 0.822 63.919 63.100 -0.006 0.000 0.767 833 P CB 0.670 32.454 31.700 0.141 0.000 0.785 834 G N 2.746 111.402 108.800 -0.240 0.000 2.205 834 G HA2 -0.238 3.725 3.960 0.005 0.000 0.261 834 G HA3 -0.238 3.725 3.960 0.005 0.000 0.261 834 G C -0.081 174.844 174.900 0.042 0.000 0.980 834 G CA -0.175 44.851 45.100 -0.123 0.000 0.632 834 G HN 0.591 nan 8.290 nan 0.000 0.533 835 E N 1.192 121.373 120.200 -0.032 0.000 2.146 835 E HA 0.465 4.818 4.350 0.005 0.000 0.282 835 E C 0.424 177.074 176.600 0.084 0.000 0.989 835 E CA -0.774 55.662 56.400 0.059 0.000 0.799 835 E CB 1.244 30.967 29.700 0.038 0.000 1.088 835 E HN 0.146 nan 8.360 nan 0.000 0.397 836 R N 1.984 122.591 120.500 0.178 0.000 2.643 836 R HA 0.167 4.510 4.340 0.005 0.000 0.270 836 R C -0.037 176.311 176.300 0.080 0.000 1.061 836 R CA -0.153 56.059 56.100 0.186 0.000 1.107 836 R CB 0.437 30.837 30.300 0.166 0.000 0.999 836 R HN 0.486 nan 8.270 nan 0.000 0.460 837 K N 1.099 121.543 120.400 0.074 0.000 2.601 837 K HA 0.286 4.608 4.320 0.005 0.000 0.249 837 K C -1.096 175.518 176.600 0.023 0.000 0.966 837 K CA -0.466 55.824 56.287 0.005 0.000 0.827 837 K CB 1.314 33.797 32.500 -0.028 0.000 1.178 837 K HN 0.451 nan 8.250 nan 0.000 0.437 838 K N 3.371 123.765 120.400 -0.009 0.000 2.297 838 K HA 0.414 4.737 4.320 0.005 0.000 0.286 838 K C -1.155 175.440 176.600 -0.007 0.000 1.053 838 K CA -0.598 55.692 56.287 0.005 0.000 0.940 838 K CB 0.891 33.390 32.500 -0.001 0.000 1.019 838 K HN 0.400 nan 8.250 nan 0.000 0.475 839 V N 6.543 126.474 119.914 0.028 0.000 2.531 839 V HA 0.379 4.502 4.120 0.005 0.000 0.301 839 V C -0.399 175.705 176.094 0.017 0.000 1.034 839 V CA -0.829 61.499 62.300 0.046 0.000 0.865 839 V CB 1.662 33.563 31.823 0.131 0.000 0.995 839 V HN 0.687 nan 8.190 nan 0.000 0.424 840 I N 5.765 126.335 120.570 0.001 0.000 2.321 840 I HA 0.475 4.648 4.170 0.005 0.000 0.291 840 I C -0.415 175.639 176.117 -0.104 0.000 0.998 840 I CA -0.267 61.007 61.300 -0.043 0.000 1.227 840 I CB 1.378 39.356 38.000 -0.036 0.000 1.368 840 I HN 0.418 nan 8.210 nan 0.000 0.466 841 I N 5.852 126.311 120.570 -0.184 0.000 2.359 841 I HA 0.377 4.550 4.170 0.005 0.000 0.294 841 I C 0.299 176.276 176.117 -0.234 0.000 0.987 841 I CA -0.291 60.801 61.300 -0.346 0.000 1.225 841 I CB 1.718 39.424 38.000 -0.491 0.000 1.366 841 I HN 0.581 nan 8.210 nan 0.000 0.466 842 T N 1.527 115.942 114.554 -0.231 0.000 2.907 842 T HA 0.755 5.108 4.350 0.005 0.000 0.292 842 T C -0.536 174.078 174.700 -0.144 0.000 1.043 842 T CA -0.885 61.127 62.100 -0.148 0.000 1.003 842 T CB 2.016 70.823 68.868 -0.102 0.000 1.084 842 T HN 0.583 nan 8.240 nan 0.000 0.483 843 S N 1.416 117.058 115.700 -0.097 0.000 2.604 843 S HA 0.443 4.916 4.470 0.005 0.000 0.296 843 S C -2.574 171.999 174.600 -0.046 0.000 1.097 843 S CA -0.895 57.263 58.200 -0.071 0.000 0.883 843 S CB 1.442 64.593 63.200 -0.081 0.000 1.081 843 S HN 0.479 nan 8.310 nan 0.000 0.448 844 P HA 0.009 nan 4.420 nan 0.000 0.221 844 P C 1.428 178.719 177.300 -0.015 0.000 1.145 844 P CA 1.385 64.476 63.100 -0.015 0.000 0.795 844 P CB -0.009 31.690 31.700 -0.002 0.000 0.775 845 R N -0.424 120.064 120.500 -0.020 0.000 2.310 845 R HA 0.163 4.506 4.340 0.005 0.000 0.202 845 R C 1.066 177.350 176.300 -0.026 0.000 0.933 845 R CA 0.208 56.297 56.100 -0.017 0.000 1.054 845 R CB -1.387 28.905 30.300 -0.014 0.000 0.985 845 R HN 0.219 nan 8.270 nan 0.000 0.489 846 I N 2.158 122.706 120.570 -0.036 0.000 2.452 846 I HA 0.133 4.306 4.170 0.005 0.000 0.287 846 I C -0.080 176.020 176.117 -0.028 0.000 1.079 846 I CA -0.163 61.113 61.300 -0.040 0.000 1.387 846 I CB 1.284 39.250 38.000 -0.057 0.000 1.404 846 I HN 0.080 nan 8.210 nan 0.000 0.522 847 K N 5.704 126.090 120.400 -0.023 0.000 2.185 847 K HA 0.165 4.488 4.320 0.005 0.000 0.269 847 K C 0.645 177.236 176.600 -0.015 0.000 0.987 847 K CA -0.705 55.573 56.287 -0.016 0.000 0.865 847 K CB 1.708 34.201 32.500 -0.012 0.000 1.090 847 K HN 0.309 nan 8.250 nan 0.000 0.450 848 K N 0.987 121.380 120.400 -0.012 0.000 2.448 848 K HA -0.137 4.186 4.320 0.005 0.000 0.200 848 K C 0.793 177.387 176.600 -0.009 0.000 1.045 848 K CA 1.259 57.540 56.287 -0.011 0.000 0.933 848 K CB -0.086 32.409 32.500 -0.008 0.000 0.755 848 K HN 0.763 nan 8.250 nan 0.000 0.481 852 L N 3.286 124.502 121.223 -0.013 0.000 2.513 852 L HA 0.469 4.812 4.340 0.005 0.000 0.272 852 L C -2.262 174.591 176.870 -0.029 0.000 1.187 852 L CA -1.317 53.502 54.840 -0.035 0.000 0.895 852 L CB 0.563 42.583 42.059 -0.065 0.000 1.147 852 L HN 0.507 nan 8.230 nan 0.000 0.483 853 P HA 0.185 nan 4.420 nan 0.000 0.267 853 P C -1.289 175.960 177.300 -0.085 0.000 1.205 853 P CA -0.011 63.065 63.100 -0.040 0.000 0.765 853 P CB 0.820 32.495 31.700 -0.042 0.000 0.828 854 V N 3.525 123.381 119.914 -0.096 0.000 2.686 854 V HA 0.466 4.589 4.120 0.005 0.000 0.306 854 V C -0.383 175.596 176.094 -0.192 0.000 1.065 854 V CA -0.523 61.650 62.300 -0.212 0.000 0.894 854 V CB 2.095 33.673 31.823 -0.408 0.000 1.004 854 V HN 0.514 nan 8.190 nan 0.000 0.424 855 N N 4.075 122.618 118.700 -0.262 0.000 2.346 855 N HA 0.607 5.350 4.740 0.005 0.000 0.289 855 N C -1.420 173.874 175.510 -0.361 0.000 1.027 855 N CA -0.407 52.494 53.050 -0.248 0.000 0.864 855 N CB 1.590 39.936 38.487 -0.235 0.000 1.370 855 N HN 0.620 nan 8.380 nan 0.000 0.481 856 I N 2.794 123.190 120.570 -0.290 0.000 2.362 856 I HA 0.344 4.516 4.170 0.005 0.000 0.289 856 I C -0.009 175.913 176.117 -0.325 0.000 0.994 856 I CA -0.650 60.454 61.300 -0.328 0.000 1.158 856 I CB 1.295 39.164 38.000 -0.219 0.000 1.315 856 I HN 0.322 nan 8.210 nan 0.000 0.451 857 K N 5.209 125.327 120.400 -0.470 0.000 2.208 857 K HA 0.704 5.027 4.320 0.005 0.000 0.247 857 K C -1.053 175.236 176.600 -0.520 0.000 0.953 857 K CA -0.875 55.045 56.287 -0.612 0.000 0.837 857 K CB 2.030 33.945 32.500 -0.975 0.000 1.131 857 K HN 0.676 nan 8.250 nan 0.000 0.431 858 H N -1.657 117.139 119.070 -0.456 0.000 2.990 858 H HA 0.310 4.869 4.556 0.005 0.000 0.336 858 H C 0.292 175.616 175.328 -0.007 0.000 1.306 858 H CA -0.942 54.992 56.048 -0.190 0.000 1.118 858 H CB 0.390 30.037 29.762 -0.192 0.000 1.856 858 H HN 0.295 nan 8.280 nan 0.000 0.538 859 I N 0.117 120.805 120.570 0.197 0.000 2.179 859 I HA -0.147 4.026 4.170 0.005 0.000 0.242 859 I C 2.440 178.515 176.117 -0.070 0.000 1.088 859 I CA 1.381 62.780 61.300 0.166 0.000 1.357 859 I CB -0.795 37.299 38.000 0.157 0.000 1.051 859 I HN 0.722 nan 8.210 nan 0.000 0.409 860 R N 1.716 122.135 120.500 -0.135 0.000 2.139 860 R HA -0.189 4.154 4.340 0.005 0.000 0.243 860 R C 1.961 177.842 176.300 -0.699 0.000 1.145 860 R CA 1.451 57.277 56.100 -0.457 0.000 0.976 860 R CB -0.428 29.813 30.300 -0.098 0.000 0.866 860 R HN 0.444 nan 8.270 nan 0.000 0.449 861 E N -0.991 118.840 120.200 -0.615 0.000 2.338 861 E HA -0.109 4.244 4.350 0.005 0.000 0.197 861 E C 1.227 177.614 176.600 -0.356 0.000 1.007 861 E CA 1.454 57.553 56.400 -0.502 0.000 0.849 861 E CB 0.009 29.359 29.700 -0.583 0.000 0.774 861 E HN 0.601 nan 8.360 nan 0.000 0.506 862 T N -1.454 112.913 114.554 -0.311 0.000 3.113 862 T HA -0.048 4.305 4.350 0.005 0.000 0.256 862 T C 0.257 174.983 174.700 0.044 0.000 1.131 862 T CA 0.059 62.123 62.100 -0.061 0.000 1.074 862 T CB -0.358 68.578 68.868 0.113 0.000 0.944 862 T HN 0.245 nan 8.240 nan 0.000 0.516 863 Y N -1.520 118.778 120.300 -0.004 0.000 2.597 863 Y HA 0.763 5.316 4.550 0.005 0.000 0.340 863 Y C -0.598 175.304 175.900 0.004 0.000 1.097 863 Y CA -1.770 56.335 58.100 0.008 0.000 1.037 863 Y CB 1.067 39.539 38.460 0.020 0.000 1.305 863 Y HN -0.212 nan 8.280 nan 0.000 0.463 864 K N 0.000 120.529 120.400 0.214 0.000 2.780 864 K HA 0.000 4.323 4.320 0.005 0.000 0.191 864 K CA 0.000 56.378 56.287 0.152 0.000 0.838 864 K CB 0.000 32.549 32.500 0.081 0.000 1.064 864 K HN 0.000 nan 8.250 nan 0.000 0.543