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 1xkv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQRLEALGIH PKKRVFWNTV SPVLVEHTLL RGEGLLAHHG PLVVDTTPYT DATA SEQUENCE GRSPKDKFVV REPEVEGEIW WGEVNQPFAP EAFEALYQRV VQYLSERDLY DATA SEQUENCE VQDLYAGADR RYRLAVRVVT ESPWHALFAR NMFILPRRFG NDDEVEAFVP DATA SEQUENCE GFTVVHAPYF QAVPERDGTR SEVFVGISFQ RRLVLIVGTK YAGEIKKSIF DATA SEQUENCE TVMNYLMPKR GVFPMHASAN VGKEGDVAVF FGLSGTGKTT LSTDPERPLI DATA SEQUENCE GDDEHGWSED GVFNFEGGCY AKVIRLSPEH EPLIYKASNQ FEAILENVVV DATA SEQUENCE NPESRRVQWD DDSKTENTRS SYPIAHLENV VESGVAGHPR AIFFLSADAY DATA SEQUENCE GVLPPIARLS PEEAMYYFLS GYTARVXXXX XXXXXPRATF SACFGAPFLP DATA SEQUENCE MHPGVYARML GEKIRKHAPR VYLVNTGWTG GPYGVGYRFP LPVTRALLKA DATA SEQUENCE ALSGALENVP YRRDPVFGFE VPLEAPGVPQ ELLNPRETWA DKEAYDQQAR DATA SEQUENCE KLARLFQENF QKYASGVAKE VAEAGPRT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.267 176.300 -0.054 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 Q N 1.698 121.311 119.800 -0.312 0.000 3.141 2 Q HA 0.256 4.595 4.340 -0.001 0.000 0.304 2 Q C -0.906 174.797 176.000 -0.494 0.000 1.305 2 Q CA 0.026 55.286 55.803 -0.905 0.000 0.929 2 Q CB -0.048 27.787 28.738 -1.505 0.000 1.701 2 Q HN 0.255 nan 8.270 nan 0.000 0.483 3 R N 0.581 121.071 120.500 -0.016 0.000 2.740 3 R HA 0.388 4.727 4.340 -0.001 0.000 0.282 3 R C 0.507 176.955 176.300 0.246 0.000 0.969 3 R CA -0.694 55.492 56.100 0.143 0.000 0.918 3 R CB 1.005 31.332 30.300 0.046 0.000 1.175 3 R HN 0.280 nan 8.270 nan 0.000 0.464 4 L N 1.287 122.633 121.223 0.205 0.000 2.640 4 L HA 0.164 4.503 4.340 -0.001 0.000 0.230 4 L C 1.013 177.868 176.870 -0.024 0.000 1.123 4 L CA 0.195 55.096 54.840 0.101 0.000 0.900 4 L CB 0.169 42.254 42.059 0.043 0.000 1.146 4 L HN 0.484 nan 8.230 nan 0.000 0.484 5 E N 1.385 121.547 120.200 -0.062 0.000 2.160 5 E HA -0.208 4.142 4.350 -0.001 0.000 0.195 5 E C 2.304 178.850 176.600 -0.089 0.000 0.991 5 E CA 1.407 57.694 56.400 -0.188 0.000 0.810 5 E CB -0.226 29.424 29.700 -0.083 0.000 0.742 5 E HN 0.435 nan 8.360 nan 0.000 0.466 6 A N 0.158 122.974 122.820 -0.006 0.000 2.125 6 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 6 A C 1.836 179.444 177.584 0.040 0.000 1.156 6 A CA 0.919 52.970 52.037 0.024 0.000 0.671 6 A CB -0.360 18.662 19.000 0.037 0.000 0.794 6 A HN 0.230 nan 8.150 nan 0.000 0.459 7 L N -1.753 119.496 121.223 0.043 0.000 2.607 7 L HA 0.253 4.593 4.340 -0.001 0.000 0.228 7 L C 1.610 178.565 176.870 0.141 0.000 1.123 7 L CA 0.507 55.419 54.840 0.119 0.000 0.890 7 L CB 0.044 42.172 42.059 0.115 0.000 1.103 7 L HN 0.534 nan 8.230 nan 0.000 0.468 8 G N 0.802 109.609 108.800 0.012 0.000 2.157 8 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.248 8 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.248 8 G C 0.178 174.980 174.900 -0.164 0.000 0.979 8 G CA -0.281 44.812 45.100 -0.012 0.000 0.650 8 G HN 0.259 nan 8.290 nan 0.000 0.529 9 I N 1.601 122.025 120.570 -0.243 0.000 2.353 9 I HA 0.385 4.554 4.170 -0.001 0.000 0.293 9 I C 0.070 175.938 176.117 -0.414 0.000 0.992 9 I CA -0.800 60.364 61.300 -0.228 0.000 1.268 9 I CB 1.024 38.945 38.000 -0.131 0.000 1.387 9 I HN 0.050 nan 8.210 nan 0.000 0.478 10 H N 5.895 124.959 119.070 -0.010 0.000 2.541 10 H HA 0.267 4.822 4.556 -0.001 0.000 0.246 10 H C -2.415 172.901 175.328 -0.019 0.000 1.341 10 H CA -1.965 54.080 56.048 -0.004 0.000 1.469 10 H CB 0.603 30.362 29.762 -0.004 0.000 1.472 10 H HN 0.241 nan 8.280 nan 0.000 0.503 11 P HA -0.111 nan 4.420 nan 0.000 0.255 11 P C 0.880 178.181 177.300 0.002 0.000 1.161 11 P CA 0.291 63.388 63.100 -0.006 0.000 0.768 11 P CB 0.857 32.547 31.700 -0.017 0.000 0.746 12 K N 2.414 122.803 120.400 -0.018 0.000 2.354 12 K HA 0.163 4.483 4.320 -0.001 0.000 0.194 12 K C 0.841 177.419 176.600 -0.036 0.000 1.038 12 K CA 0.834 57.109 56.287 -0.019 0.000 1.052 12 K CB 0.345 32.835 32.500 -0.017 0.000 0.861 12 K HN 0.290 nan 8.250 nan 0.000 0.535 13 K N 0.085 120.451 120.400 -0.056 0.000 1.828 13 K HA 0.386 4.706 4.320 -0.001 0.000 0.268 13 K C 0.172 176.702 176.600 -0.116 0.000 0.973 13 K CA -0.648 55.597 56.287 -0.069 0.000 1.093 13 K CB 0.251 32.714 32.500 -0.061 0.000 2.798 13 K HN -0.227 nan 8.250 nan 0.000 1.015 14 R N 0.684 121.082 120.500 -0.171 0.000 2.500 14 R HA 0.474 4.813 4.340 -0.001 0.000 0.275 14 R C -0.437 175.573 176.300 -0.483 0.000 1.051 14 R CA -0.647 55.234 56.100 -0.366 0.000 1.088 14 R CB 0.589 30.584 30.300 -0.508 0.000 1.063 14 R HN 0.166 nan 8.270 nan 0.000 0.511 15 V N 3.296 122.851 119.914 -0.598 0.000 2.482 15 V HA 0.352 4.472 4.120 -0.001 0.000 0.295 15 V C -0.927 174.788 176.094 -0.631 0.000 1.026 15 V CA -0.677 61.315 62.300 -0.513 0.000 0.856 15 V CB 1.246 32.956 31.823 -0.188 0.000 1.001 15 V HN 0.515 nan 8.190 nan 0.000 0.424 16 F N 3.367 123.096 119.950 -0.369 0.000 2.332 16 F HA 0.498 5.025 4.527 -0.001 0.000 0.368 16 F C -0.242 175.434 175.800 -0.206 0.000 1.110 16 F CA -0.448 57.430 58.000 -0.203 0.000 1.087 16 F CB 0.960 39.802 39.000 -0.263 0.000 1.235 16 F HN 0.417 nan 8.300 nan 0.000 0.470 17 W N 3.743 125.096 121.300 0.088 0.000 2.338 17 W HA 0.333 4.993 4.660 -0.001 0.000 0.307 17 W C 0.454 177.006 176.519 0.056 0.000 1.167 17 W CA -0.675 56.698 57.345 0.047 0.000 1.208 17 W CB 0.464 29.922 29.460 -0.002 0.000 1.228 17 W HN 0.463 nan 8.180 nan 0.000 0.499 18 N N 1.013 119.841 118.700 0.214 0.000 2.716 18 N HA -0.179 4.560 4.740 -0.001 0.000 0.250 18 N C -0.318 175.268 175.510 0.127 0.000 1.033 18 N CA 1.285 54.413 53.050 0.130 0.000 0.727 18 N CB -1.817 36.738 38.487 0.112 0.000 0.950 18 N HN 0.365 nan 8.380 nan 0.000 0.541 19 T N -0.032 114.607 114.554 0.142 0.000 2.934 19 T HA 0.235 4.584 4.350 -0.001 0.000 0.306 19 T C 1.390 176.129 174.700 0.064 0.000 1.042 19 T CA -0.259 61.910 62.100 0.113 0.000 1.145 19 T CB 1.011 69.947 68.868 0.113 0.000 0.982 19 T HN 0.247 nan 8.240 nan 0.000 0.544 20 V N 1.591 121.539 119.914 0.057 0.000 3.003 20 V HA 0.236 4.355 4.120 -0.001 0.000 0.305 20 V C 1.377 177.494 176.094 0.039 0.000 1.078 20 V CA -0.412 61.921 62.300 0.055 0.000 1.083 20 V CB 0.739 32.604 31.823 0.071 0.000 1.039 20 V HN 0.875 nan 8.190 nan 0.000 0.481 21 S N 3.065 118.795 115.700 0.050 0.000 2.368 21 S HA -0.112 4.358 4.470 -0.001 0.000 0.226 21 S C -0.406 174.246 174.600 0.086 0.000 1.044 21 S CA 2.413 60.629 58.200 0.027 0.000 1.062 21 S CB -1.558 61.648 63.200 0.010 0.000 0.931 21 S HN 0.877 nan 8.310 nan 0.000 0.440 22 P HA -0.064 nan 4.420 nan 0.000 0.216 22 P C 1.564 178.953 177.300 0.149 0.000 1.153 22 P CA 0.850 64.135 63.100 0.308 0.000 0.858 22 P CB -0.150 31.678 31.700 0.212 0.000 0.789 23 V N -0.726 119.216 119.914 0.046 0.000 2.358 23 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 23 V C 2.448 178.420 176.094 -0.204 0.000 1.047 23 V CA 1.601 63.859 62.300 -0.070 0.000 1.035 23 V CB -1.299 30.446 31.823 -0.130 0.000 0.658 23 V HN 0.066 nan 8.190 nan 0.000 0.452 24 L N -0.407 120.714 121.223 -0.170 0.000 2.083 24 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 24 L C 2.472 179.302 176.870 -0.066 0.000 1.083 24 L CA 1.071 55.795 54.840 -0.193 0.000 0.752 24 L CB -0.668 41.309 42.059 -0.135 0.000 0.899 24 L HN 0.200 nan 8.230 nan 0.000 0.433 25 V N -0.211 119.705 119.914 0.003 0.000 2.343 25 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 25 V C 2.375 178.532 176.094 0.104 0.000 1.051 25 V CA 1.767 64.100 62.300 0.055 0.000 1.036 25 V CB -0.458 31.446 31.823 0.134 0.000 0.654 25 V HN 0.453 nan 8.190 nan 0.000 0.451 26 E N -0.763 119.514 120.200 0.129 0.000 2.085 26 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 26 E C 2.147 178.869 176.600 0.204 0.000 0.994 26 E CA 1.636 58.132 56.400 0.159 0.000 0.801 26 E CB -0.242 29.562 29.700 0.175 0.000 0.743 26 E HN 0.740 nan 8.360 nan 0.000 0.453 27 H N -0.370 118.699 119.070 -0.002 0.000 2.357 27 H HA -0.056 4.500 4.556 -0.001 0.000 0.301 27 H C 2.237 177.573 175.328 0.013 0.000 1.082 27 H CA 1.239 57.282 56.048 -0.009 0.000 1.342 27 H CB 0.138 29.868 29.762 -0.052 0.000 1.389 27 H HN 0.123 nan 8.280 nan 0.000 0.511 28 T N 1.380 116.020 114.554 0.142 0.000 2.720 28 T HA -0.134 4.215 4.350 -0.001 0.000 0.268 28 T C 2.273 177.030 174.700 0.095 0.000 1.037 28 T CA 0.906 63.078 62.100 0.120 0.000 1.144 28 T CB -0.289 68.642 68.868 0.105 0.000 0.864 28 T HN 0.194 nan 8.240 nan 0.000 0.444 29 L N 0.001 121.272 121.223 0.080 0.000 2.056 29 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 29 L C 2.470 179.372 176.870 0.054 0.000 1.078 29 L CA 0.824 55.700 54.840 0.060 0.000 0.749 29 L CB -0.551 41.545 42.059 0.062 0.000 0.901 29 L HN 0.179 nan 8.230 nan 0.000 0.433 30 L N -0.220 121.038 121.223 0.058 0.000 2.079 30 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 30 L C 2.526 179.415 176.870 0.032 0.000 1.081 30 L CA 1.665 56.525 54.840 0.034 0.000 0.752 30 L CB -0.291 41.773 42.059 0.008 0.000 0.896 30 L HN 0.092 nan 8.230 nan 0.000 0.433 31 R N -0.717 119.814 120.500 0.052 0.000 2.313 31 R HA 0.154 4.493 4.340 -0.001 0.000 0.199 31 R C 1.035 177.373 176.300 0.062 0.000 0.958 31 R CA 0.582 56.717 56.100 0.058 0.000 1.047 31 R CB -0.144 30.211 30.300 0.092 0.000 0.955 31 R HN 0.438 nan 8.270 nan 0.000 0.481 32 G N 1.643 110.477 108.800 0.057 0.000 2.249 32 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.273 32 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.273 32 G C 0.208 175.153 174.900 0.074 0.000 1.036 32 G CA 0.406 45.536 45.100 0.051 0.000 0.824 32 G HN 0.476 nan 8.290 nan 0.000 0.504 33 E N -0.648 119.613 120.200 0.102 0.000 2.501 33 E HA 0.455 4.804 4.350 -0.001 0.000 0.201 33 E C 1.166 177.795 176.600 0.048 0.000 1.016 33 E CA 0.400 56.892 56.400 0.154 0.000 0.920 33 E CB 0.681 30.559 29.700 0.297 0.000 1.023 33 E HN 0.872 nan 8.360 nan 0.000 0.474 34 G N 0.758 109.553 108.800 -0.009 0.000 2.356 34 G HA2 0.431 4.390 3.960 -0.001 0.000 0.294 34 G HA3 0.431 4.390 3.960 -0.001 0.000 0.294 34 G C -1.985 172.881 174.900 -0.056 0.000 1.423 34 G CA -0.963 44.078 45.100 -0.099 0.000 0.806 34 G HN 0.050 nan 8.290 nan 0.000 0.527 35 L N -1.907 119.270 121.223 -0.075 0.000 2.376 35 L HA 0.889 5.229 4.340 -0.001 0.000 0.258 35 L C -0.690 176.159 176.870 -0.035 0.000 1.013 35 L CA -1.260 53.557 54.840 -0.039 0.000 0.822 35 L CB 1.459 43.495 42.059 -0.038 0.000 1.388 35 L HN 0.521 nan 8.230 nan 0.000 0.413 36 L N 2.003 123.226 121.223 0.000 0.000 2.292 36 L HA 0.830 5.169 4.340 -0.001 0.000 0.284 36 L C 0.554 177.433 176.870 0.015 0.000 1.065 36 L CA -0.438 54.417 54.840 0.024 0.000 0.806 36 L CB 1.350 43.448 42.059 0.065 0.000 1.175 36 L HN 1.001 nan 8.230 nan 0.000 0.431 37 A N 1.744 124.575 122.820 0.018 0.000 2.261 37 A HA 0.372 4.691 4.320 -0.001 0.000 0.323 37 A C -0.585 177.042 177.584 0.072 0.000 1.107 37 A CA -0.546 51.505 52.037 0.023 0.000 0.883 37 A CB 0.381 19.376 19.000 -0.009 0.000 1.251 37 A HN 0.775 nan 8.150 nan 0.000 0.502 38 H N 0.003 119.054 119.070 -0.032 0.000 3.094 38 H HA 0.103 4.659 4.556 -0.001 0.000 0.320 38 H C 0.512 175.841 175.328 0.001 0.000 1.000 38 H CA 2.027 58.023 56.048 -0.087 0.000 1.413 38 H CB -0.243 29.441 29.762 -0.131 0.000 1.405 38 H HN 0.747 nan 8.280 nan 0.000 0.586 39 H N 2.561 121.410 119.070 -0.369 0.000 3.415 39 H HA -0.176 4.380 4.556 -0.001 0.000 0.213 39 H C 1.512 176.800 175.328 -0.067 0.000 1.091 39 H CA 1.543 57.420 56.048 -0.285 0.000 1.182 39 H CB -1.451 28.106 29.762 -0.343 0.000 1.160 39 H HN 1.051 nan 8.280 nan 0.000 0.319 40 G N -1.670 107.200 108.800 0.117 0.000 2.213 40 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.226 40 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.226 40 G C -1.881 173.131 174.900 0.188 0.000 0.992 40 G CA -0.072 45.154 45.100 0.210 0.000 0.632 40 G HN 0.555 nan 8.290 nan 0.000 0.511 41 P HA 0.457 nan 4.420 nan 0.000 0.272 41 P C -0.374 176.922 177.300 -0.006 0.000 1.223 41 P CA -0.271 62.855 63.100 0.044 0.000 0.784 41 P CB 1.493 33.231 31.700 0.063 0.000 0.923 42 L N 3.608 124.790 121.223 -0.068 0.000 2.264 42 L HA 0.265 4.605 4.340 -0.001 0.000 0.289 42 L C -0.668 176.100 176.870 -0.170 0.000 1.044 42 L CA -0.431 54.342 54.840 -0.112 0.000 0.807 42 L CB 0.797 42.769 42.059 -0.147 0.000 1.192 42 L HN 0.052 nan 8.230 nan 0.000 0.425 43 V N 6.316 126.125 119.914 -0.174 0.000 2.407 43 V HA 0.621 4.740 4.120 -0.001 0.000 0.278 43 V C -0.046 175.866 176.094 -0.302 0.000 1.037 43 V CA -0.321 61.848 62.300 -0.218 0.000 0.900 43 V CB 1.485 33.209 31.823 -0.166 0.000 0.983 43 V HN 0.682 nan 8.190 nan 0.000 0.459 44 V N 1.170 120.836 119.914 -0.413 0.000 3.102 44 V HA 0.760 4.879 4.120 -0.001 0.000 0.312 44 V C -1.052 174.865 176.094 -0.296 0.000 1.135 44 V CA -0.756 61.234 62.300 -0.515 0.000 1.022 44 V CB 2.359 33.422 31.823 -1.266 0.000 1.056 44 V HN 0.784 nan 8.190 nan 0.000 0.436 45 D N 1.269 121.580 120.400 -0.147 0.000 2.505 45 D HA 0.479 5.119 4.640 -0.001 0.000 0.249 45 D C 0.305 176.677 176.300 0.120 0.000 1.082 45 D CA 0.347 54.340 54.000 -0.011 0.000 0.839 45 D CB 2.592 43.396 40.800 0.008 0.000 1.317 45 D HN 1.006 nan 8.370 nan 0.000 0.497 46 T N -0.633 114.020 114.554 0.165 0.000 3.145 46 T HA 0.125 4.475 4.350 -0.001 0.000 0.281 46 T C 0.745 175.561 174.700 0.193 0.000 1.003 46 T CA -0.191 62.070 62.100 0.268 0.000 0.901 46 T CB -0.332 68.775 68.868 0.398 0.000 1.112 46 T HN 0.411 nan 8.240 nan 0.000 0.535 47 T N 1.789 116.406 114.554 0.105 0.000 2.939 47 T HA 0.184 4.533 4.350 -0.001 0.000 0.319 47 T C -0.796 173.909 174.700 0.008 0.000 1.082 47 T CA -0.679 61.438 62.100 0.028 0.000 1.133 47 T CB 0.589 69.459 68.868 0.003 0.000 1.019 47 T HN 0.106 nan 8.240 nan 0.000 0.548 48 P HA 0.038 nan 4.420 nan 0.000 0.235 48 P C -0.284 176.823 177.300 -0.322 0.000 1.177 48 P CA 0.316 63.252 63.100 -0.273 0.000 0.785 48 P CB 0.012 31.467 31.700 -0.409 0.000 0.885 49 Y N 1.864 122.188 120.300 0.039 0.000 2.616 49 Y HA 0.148 4.697 4.550 -0.001 0.000 0.350 49 Y C 1.730 177.630 175.900 0.001 0.000 1.119 49 Y CA 0.160 58.269 58.100 0.014 0.000 1.467 49 Y CB -0.228 38.262 38.460 0.050 0.000 1.287 49 Y HN -0.054 nan 8.280 nan 0.000 0.504 50 T N -1.465 113.089 114.554 0.000 0.000 3.145 50 T HA 0.545 4.894 4.350 -0.001 0.000 0.255 50 T C 0.705 175.143 174.700 -0.436 0.000 1.039 50 T CA 0.144 62.206 62.100 -0.064 0.000 0.928 50 T CB -0.028 68.826 68.868 -0.024 0.000 1.029 50 T HN 0.645 nan 8.240 nan 0.000 0.554 51 G N 0.272 108.676 108.800 -0.660 0.000 2.663 51 G HA2 0.571 4.530 3.960 -0.001 0.000 0.299 51 G HA3 0.571 4.530 3.960 -0.001 0.000 0.299 51 G C -1.257 173.262 174.900 -0.634 0.000 1.372 51 G CA -1.325 43.199 45.100 -0.959 0.000 0.781 51 G HN 0.239 nan 8.290 nan 0.000 0.491 52 R N -0.463 119.892 120.500 -0.242 0.000 2.738 52 R HA 0.423 4.763 4.340 -0.001 0.000 0.268 52 R C -0.321 175.997 176.300 0.029 0.000 1.062 52 R CA 0.162 56.301 56.100 0.067 0.000 1.158 52 R CB 0.617 31.037 30.300 0.199 0.000 1.046 52 R HN 0.303 nan 8.270 nan 0.000 0.493 53 S N 2.944 118.661 115.700 0.029 0.000 2.252 53 S HA 0.176 4.646 4.470 -0.001 0.000 0.180 53 S C -1.938 172.642 174.600 -0.034 0.000 1.534 53 S CA -1.179 57.021 58.200 0.001 0.000 1.141 53 S CB 1.357 64.523 63.200 -0.058 0.000 1.122 53 S HN 0.489 nan 8.310 nan 0.000 0.475 54 P HA -0.142 nan 4.420 nan 0.000 0.216 54 P C 1.214 178.426 177.300 -0.148 0.000 1.153 54 P CA 1.085 64.136 63.100 -0.081 0.000 0.858 54 P CB 0.187 31.848 31.700 -0.065 0.000 0.789 55 K N -0.616 119.717 120.400 -0.112 0.000 2.525 55 K HA 0.011 4.330 4.320 -0.001 0.000 0.192 55 K C 0.397 176.878 176.600 -0.199 0.000 1.029 55 K CA 0.801 57.001 56.287 -0.145 0.000 1.029 55 K CB -0.289 32.183 32.500 -0.048 0.000 0.814 55 K HN 0.305 nan 8.250 nan 0.000 0.503 56 D N 0.369 120.663 120.400 -0.177 0.000 2.479 56 D HA 0.009 4.648 4.640 -0.001 0.000 0.218 56 D C -0.037 176.118 176.300 -0.242 0.000 1.177 56 D CA 0.022 53.982 54.000 -0.066 0.000 0.830 56 D CB 0.826 41.646 40.800 0.033 0.000 1.014 56 D HN 0.027 nan 8.370 nan 0.000 0.503 57 K N 0.817 120.931 120.400 -0.477 0.000 2.185 57 K HA 0.435 4.755 4.320 -0.001 0.000 0.269 57 K C -1.186 175.021 176.600 -0.654 0.000 0.987 57 K CA -0.237 55.802 56.287 -0.413 0.000 0.865 57 K CB 0.934 33.291 32.500 -0.238 0.000 1.090 57 K HN -0.287 nan 8.250 nan 0.000 0.450 58 F N 1.755 121.528 119.950 -0.295 0.000 2.613 58 F HA 0.447 4.973 4.527 -0.001 0.000 0.314 58 F C -0.739 175.033 175.800 -0.047 0.000 1.075 58 F CA -1.046 56.889 58.000 -0.109 0.000 0.945 58 F CB 2.062 40.990 39.000 -0.120 0.000 1.310 58 F HN 0.038 nan 8.300 nan 0.000 0.467 59 V N 2.477 122.606 119.914 0.360 0.000 2.483 59 V HA 0.334 4.453 4.120 -0.001 0.000 0.297 59 V C -0.540 175.810 176.094 0.426 0.000 1.027 59 V CA -1.015 61.454 62.300 0.283 0.000 0.855 59 V CB 1.666 33.652 31.823 0.272 0.000 0.995 59 V HN 0.530 nan 8.190 nan 0.000 0.424 60 V N 5.119 125.152 119.914 0.198 0.000 2.540 60 V HA 0.085 4.204 4.120 -0.001 0.000 0.297 60 V C 0.954 177.211 176.094 0.271 0.000 1.024 60 V CA 0.044 62.448 62.300 0.172 0.000 1.105 60 V CB 0.297 32.034 31.823 -0.143 0.000 0.938 60 V HN 0.833 nan 8.190 nan 0.000 0.482 61 R N 4.206 124.807 120.500 0.169 0.000 2.441 61 R HA 0.201 4.540 4.340 -0.001 0.000 0.300 61 R C -0.117 176.229 176.300 0.077 0.000 1.284 61 R CA 0.001 56.134 56.100 0.055 0.000 1.069 61 R CB 0.020 30.111 30.300 -0.348 0.000 1.087 61 R HN 0.769 nan 8.270 nan 0.000 0.519 62 E N 4.302 124.603 120.200 0.168 0.000 2.179 62 E HA 0.176 4.525 4.350 -0.001 0.000 0.275 62 E C -1.879 174.798 176.600 0.129 0.000 0.945 62 E CA -2.225 54.241 56.400 0.110 0.000 0.792 62 E CB 1.936 31.693 29.700 0.095 0.000 1.125 62 E HN 0.324 nan 8.360 nan 0.000 0.397 63 P HA -0.224 nan 4.420 nan 0.000 0.217 63 P C 0.299 177.660 177.300 0.101 0.000 1.148 63 P CA 1.299 64.449 63.100 0.083 0.000 0.834 63 P CB 0.291 32.022 31.700 0.051 0.000 0.783 64 E N -1.043 119.218 120.200 0.101 0.000 2.208 64 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 64 E C 1.716 178.395 176.600 0.132 0.000 0.988 64 E CA 0.992 57.455 56.400 0.104 0.000 0.828 64 E CB -0.619 29.138 29.700 0.094 0.000 0.763 64 E HN 0.259 nan 8.360 nan 0.000 0.478 65 V N -1.818 118.192 119.914 0.161 0.000 3.660 65 V HA 0.140 4.260 4.120 -0.001 0.000 0.276 65 V C 1.865 178.096 176.094 0.229 0.000 1.317 65 V CA 0.399 62.798 62.300 0.166 0.000 1.097 65 V CB 0.394 32.285 31.823 0.113 0.000 0.863 65 V HN -0.035 nan 8.190 nan 0.000 0.438 66 E N 3.268 123.630 120.200 0.271 0.000 2.095 66 E HA -0.217 4.133 4.350 -0.001 0.000 0.212 66 E C 2.008 178.818 176.600 0.350 0.000 1.044 66 E CA 2.785 59.401 56.400 0.359 0.000 0.857 66 E CB -1.108 28.723 29.700 0.217 0.000 0.764 66 E HN 0.595 nan 8.360 nan 0.000 0.462 67 G N -0.968 107.960 108.800 0.213 0.000 2.650 67 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.214 67 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.214 67 G C 1.145 176.120 174.900 0.126 0.000 1.136 67 G CA 0.546 45.747 45.100 0.168 0.000 0.789 67 G HN 0.362 nan 8.290 nan 0.000 0.536 68 E N -0.274 119.993 120.200 0.113 0.000 2.190 68 E HA 0.098 4.447 4.350 -0.001 0.000 0.191 68 E C 0.355 176.971 176.600 0.027 0.000 0.978 68 E CA -0.084 56.364 56.400 0.079 0.000 0.839 68 E CB 0.382 30.167 29.700 0.141 0.000 0.787 68 E HN 0.237 nan 8.360 nan 0.000 0.473 69 I N 1.294 121.807 120.570 -0.096 0.000 2.441 69 I HA -0.005 4.165 4.170 -0.001 0.000 0.287 69 I C -0.202 175.636 176.117 -0.465 0.000 1.049 69 I CA -0.251 60.800 61.300 -0.415 0.000 1.381 69 I CB 0.032 37.445 38.000 -0.978 0.000 1.409 69 I HN 0.152 nan 8.210 nan 0.000 0.523 70 W N 8.434 129.470 121.300 -0.439 0.000 2.360 70 W HA 0.347 5.007 4.660 -0.001 0.000 0.344 70 W C -0.715 175.639 176.519 -0.275 0.000 1.025 70 W CA -1.388 55.820 57.345 -0.229 0.000 1.480 70 W CB 0.177 29.620 29.460 -0.029 0.000 1.350 70 W HN 0.406 nan 8.180 nan 0.000 0.382 71 W N 5.809 127.037 121.300 -0.121 0.000 2.181 71 W HA 0.449 5.108 4.660 -0.001 0.000 0.335 71 W C 0.939 177.167 176.519 -0.485 0.000 1.310 71 W CA 1.213 58.434 57.345 -0.207 0.000 1.226 71 W CB 0.597 30.004 29.460 -0.088 0.000 1.155 71 W HN 0.685 nan 8.180 nan 0.000 0.565 72 G N 0.926 109.642 108.800 -0.139 0.000 2.398 72 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.251 72 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.251 72 G C 0.138 174.920 174.900 -0.196 0.000 1.277 72 G CA -0.191 44.732 45.100 -0.296 0.000 0.927 72 G HN 0.326 nan 8.290 nan 0.000 0.477 73 E N -0.509 119.554 120.200 -0.228 0.000 2.086 73 E HA -0.129 4.220 4.350 -0.001 0.000 0.200 73 E C 2.504 179.024 176.600 -0.133 0.000 1.012 73 E CA 2.644 58.956 56.400 -0.146 0.000 0.812 73 E CB -0.276 29.347 29.700 -0.128 0.000 0.743 73 E HN 0.357 nan 8.360 nan 0.000 0.453 74 V N 0.787 120.617 119.914 -0.140 0.000 2.273 74 V HA -0.085 4.034 4.120 -0.001 0.000 0.242 74 V C 0.633 176.664 176.094 -0.105 0.000 1.035 74 V CA 1.341 63.572 62.300 -0.114 0.000 1.013 74 V CB -0.383 31.400 31.823 -0.067 0.000 0.652 74 V HN 0.225 nan 8.190 nan 0.000 0.452 75 N N 2.145 120.795 118.700 -0.084 0.000 2.521 75 N HA 0.227 4.966 4.740 -0.001 0.000 0.236 75 N C -0.456 175.157 175.510 0.172 0.000 1.067 75 N CA 0.079 53.117 53.050 -0.020 0.000 0.939 75 N CB 0.837 39.227 38.487 -0.163 0.000 1.201 75 N HN 0.573 nan 8.380 nan 0.000 0.511 76 Q N 2.729 122.608 119.800 0.131 0.000 2.294 76 Q HA 0.260 4.600 4.340 -0.001 0.000 0.257 76 Q C -2.080 174.252 176.000 0.552 0.000 0.955 76 Q CA -1.615 54.324 55.803 0.227 0.000 0.936 76 Q CB 1.264 29.916 28.738 -0.143 0.000 1.188 76 Q HN 0.350 nan 8.270 nan 0.000 0.420 77 P HA 0.073 nan 4.420 nan 0.000 0.271 77 P C -1.136 176.412 177.300 0.413 0.000 1.216 77 P CA 0.067 63.306 63.100 0.231 0.000 0.776 77 P CB 0.564 32.051 31.700 -0.355 0.000 0.881 78 F N 1.571 121.610 119.950 0.149 0.000 2.569 78 F HA 0.531 5.058 4.527 -0.001 0.000 0.312 78 F C -0.433 175.387 175.800 0.034 0.000 1.109 78 F CA -0.835 57.221 58.000 0.092 0.000 0.919 78 F CB 1.914 41.017 39.000 0.172 0.000 1.211 78 F HN 0.398 nan 8.300 nan 0.000 0.446 79 A N 6.705 129.328 122.820 -0.329 0.000 2.477 79 A HA 0.398 4.718 4.320 -0.001 0.000 0.246 79 A C -1.996 175.573 177.584 -0.024 0.000 1.078 79 A CA -1.019 50.904 52.037 -0.190 0.000 0.770 79 A CB -0.045 18.795 19.000 -0.267 0.000 1.011 79 A HN 0.631 nan 8.150 nan 0.000 0.494 80 P HA -0.144 nan 4.420 nan 0.000 0.219 80 P C 0.731 178.105 177.300 0.124 0.000 1.146 80 P CA 1.365 64.527 63.100 0.103 0.000 0.808 80 P CB 0.264 31.989 31.700 0.042 0.000 0.779 81 E N -0.098 120.120 120.200 0.030 0.000 2.072 81 E HA -0.082 4.268 4.350 -0.001 0.000 0.190 81 E C 2.175 178.780 176.600 0.009 0.000 0.982 81 E CA 1.465 57.872 56.400 0.012 0.000 0.803 81 E CB -1.413 28.267 29.700 -0.034 0.000 0.755 81 E HN 0.144 nan 8.360 nan 0.000 0.453 82 A N 0.279 123.061 122.820 -0.064 0.000 1.930 82 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 82 A C 2.076 179.752 177.584 0.154 0.000 1.175 82 A CA 1.095 53.071 52.037 -0.102 0.000 0.627 82 A CB -0.743 17.942 19.000 -0.524 0.000 0.815 82 A HN 0.305 nan 8.150 nan 0.000 0.443 83 F N 0.916 120.975 119.950 0.183 0.000 2.113 83 F HA -0.129 4.398 4.527 -0.001 0.000 0.297 83 F C 2.221 178.086 175.800 0.108 0.000 1.103 83 F CA 2.162 60.306 58.000 0.240 0.000 1.248 83 F CB -0.193 38.969 39.000 0.271 0.000 0.999 83 F HN 0.327 nan 8.300 nan 0.000 0.475 84 E N 0.824 121.134 120.200 0.185 0.000 2.051 84 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 84 E C 2.148 178.759 176.600 0.018 0.000 0.991 84 E CA 1.631 58.084 56.400 0.088 0.000 0.799 84 E CB -0.707 29.060 29.700 0.112 0.000 0.748 84 E HN 0.384 nan 8.360 nan 0.000 0.449 85 A N 0.549 123.369 122.820 -0.000 0.000 1.883 85 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 85 A C 2.232 179.767 177.584 -0.081 0.000 1.186 85 A CA 1.713 53.734 52.037 -0.026 0.000 0.624 85 A CB -0.892 18.093 19.000 -0.026 0.000 0.822 85 A HN 0.407 nan 8.150 nan 0.000 0.444 86 L N -1.803 119.325 121.223 -0.157 0.000 2.056 86 L HA -0.094 4.245 4.340 -0.001 0.000 0.207 86 L C 2.264 178.914 176.870 -0.367 0.000 1.078 86 L CA 2.275 56.948 54.840 -0.277 0.000 0.749 86 L CB -1.053 40.732 42.059 -0.455 0.000 0.901 86 L HN 0.503 nan 8.230 nan 0.000 0.433 87 Y N 0.049 120.031 120.300 -0.531 0.000 2.128 87 Y HA -0.301 4.248 4.550 -0.001 0.000 0.284 87 Y C 2.563 178.292 175.900 -0.284 0.000 1.154 87 Y CA 2.149 59.951 58.100 -0.498 0.000 1.149 87 Y CB -0.168 37.966 38.460 -0.543 0.000 0.976 87 Y HN 0.304 nan 8.280 nan 0.000 0.505 88 Q N 0.344 120.080 119.800 -0.106 0.000 2.170 88 Q HA -0.176 4.164 4.340 -0.001 0.000 0.203 88 Q C 2.325 178.242 176.000 -0.139 0.000 0.976 88 Q CA 1.642 57.388 55.803 -0.095 0.000 0.858 88 Q CB -0.377 28.369 28.738 0.013 0.000 0.907 88 Q HN 0.565 nan 8.270 nan 0.000 0.433 89 R N -0.396 120.021 120.500 -0.138 0.000 2.092 89 R HA -0.053 4.286 4.340 -0.001 0.000 0.231 89 R C 2.366 178.597 176.300 -0.115 0.000 1.119 89 R CA 1.044 57.124 56.100 -0.033 0.000 0.970 89 R CB -0.133 30.221 30.300 0.089 0.000 0.864 89 R HN 0.058 nan 8.270 nan 0.000 0.440 90 V N 0.889 120.498 119.914 -0.507 0.000 2.307 90 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 90 V C 2.412 178.328 176.094 -0.296 0.000 1.045 90 V CA 1.823 63.724 62.300 -0.665 0.000 1.024 90 V CB -0.377 30.919 31.823 -0.880 0.000 0.651 90 V HN 0.264 nan 8.190 nan 0.000 0.449 91 V N -1.541 118.124 119.914 -0.415 0.000 2.626 91 V HA -0.274 3.845 4.120 -0.001 0.000 0.252 91 V C 2.113 178.146 176.094 -0.102 0.000 1.067 91 V CA 1.798 63.923 62.300 -0.291 0.000 1.081 91 V CB -1.028 30.560 31.823 -0.392 0.000 0.686 91 V HN 0.553 nan 8.190 nan 0.000 0.468 92 Q N -0.568 119.206 119.800 -0.043 0.000 2.083 92 Q HA -0.121 4.218 4.340 -0.001 0.000 0.198 92 Q C 2.155 178.201 176.000 0.075 0.000 0.969 92 Q CA 1.963 57.787 55.803 0.034 0.000 0.838 92 Q CB -0.399 28.372 28.738 0.054 0.000 0.900 92 Q HN 0.833 nan 8.270 nan 0.000 0.436 93 Y N 1.291 121.606 120.300 0.025 0.000 2.145 93 Y HA -0.206 4.344 4.550 -0.001 0.000 0.286 93 Y C 1.748 177.675 175.900 0.044 0.000 1.145 93 Y CA 1.372 59.526 58.100 0.091 0.000 1.148 93 Y CB -0.224 38.399 38.460 0.272 0.000 0.981 93 Y HN -0.010 nan 8.280 nan 0.000 0.507 94 L N -0.562 120.623 121.223 -0.062 0.000 2.131 94 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 94 L C 2.471 179.245 176.870 -0.160 0.000 1.092 94 L CA 1.445 56.190 54.840 -0.158 0.000 0.759 94 L CB -0.697 41.334 42.059 -0.047 0.000 0.903 94 L HN 0.186 nan 8.230 nan 0.000 0.435 95 S N -0.462 115.176 115.700 -0.102 0.000 2.419 95 S HA -0.136 4.333 4.470 -0.001 0.000 0.235 95 S C 1.566 176.117 174.600 -0.083 0.000 1.019 95 S CA 1.003 59.164 58.200 -0.064 0.000 0.982 95 S CB -0.167 63.034 63.200 0.001 0.000 0.789 95 S HN 0.406 nan 8.310 nan 0.000 0.490 96 E N 1.147 121.269 120.200 -0.131 0.000 2.502 96 E HA 0.038 4.387 4.350 -0.001 0.000 0.194 96 E C 0.822 177.335 176.600 -0.143 0.000 1.062 96 E CA 0.180 56.504 56.400 -0.126 0.000 0.867 96 E CB -0.025 29.596 29.700 -0.131 0.000 0.888 96 E HN 0.656 nan 8.360 nan 0.000 0.510 97 R N -0.545 119.861 120.500 -0.157 0.000 2.781 97 R HA 0.361 4.700 4.340 -0.001 0.000 0.269 97 R C -0.986 175.275 176.300 -0.064 0.000 1.025 97 R CA -0.840 55.195 56.100 -0.109 0.000 0.914 97 R CB 0.557 30.769 30.300 -0.146 0.000 1.236 97 R HN -0.336 nan 8.270 nan 0.000 0.465 98 D N 0.908 121.308 120.400 0.000 0.000 2.472 98 D HA 0.215 4.855 4.640 -0.001 0.000 0.237 98 D C -0.246 176.052 176.300 -0.003 0.000 1.141 98 D CA 0.498 54.506 54.000 0.014 0.000 0.875 98 D CB 0.586 41.497 40.800 0.185 0.000 1.192 98 D HN 0.271 nan 8.370 nan 0.000 0.450 99 L N 1.666 122.798 121.223 -0.151 0.000 2.388 99 L HA 0.432 4.771 4.340 -0.001 0.000 0.264 99 L C -1.045 175.639 176.870 -0.310 0.000 0.998 99 L CA -1.015 53.752 54.840 -0.123 0.000 0.817 99 L CB 1.470 43.436 42.059 -0.155 0.000 1.338 99 L HN 0.282 nan 8.230 nan 0.000 0.414 100 Y N 1.032 121.336 120.300 0.007 0.000 2.376 100 Y HA 0.618 5.167 4.550 -0.001 0.000 0.340 100 Y C -0.261 175.539 175.900 -0.168 0.000 0.965 100 Y CA -0.868 57.224 58.100 -0.013 0.000 1.078 100 Y CB 2.167 40.656 38.460 0.047 0.000 1.193 100 Y HN 0.083 nan 8.280 nan 0.000 0.452 101 V N 3.754 123.546 119.914 -0.203 0.000 2.680 101 V HA 0.518 4.638 4.120 -0.001 0.000 0.309 101 V C -0.733 175.288 176.094 -0.122 0.000 1.052 101 V CA -0.945 61.168 62.300 -0.312 0.000 0.908 101 V CB 1.888 33.180 31.823 -0.886 0.000 1.001 101 V HN 0.598 nan 8.190 nan 0.000 0.431 102 Q N 2.208 121.957 119.800 -0.085 0.000 2.292 102 Q HA 0.417 4.756 4.340 -0.001 0.000 0.270 102 Q C -1.682 174.228 176.000 -0.150 0.000 1.024 102 Q CA -0.580 55.186 55.803 -0.061 0.000 0.768 102 Q CB 2.646 31.377 28.738 -0.012 0.000 1.250 102 Q HN 0.690 nan 8.270 nan 0.000 0.447 103 D N 3.600 123.826 120.400 -0.290 0.000 2.317 103 D HA 0.537 5.176 4.640 -0.001 0.000 0.234 103 D C -0.030 175.949 176.300 -0.535 0.000 1.112 103 D CA 0.023 53.576 54.000 -0.744 0.000 0.840 103 D CB 1.120 41.024 40.800 -1.494 0.000 1.078 103 D HN 0.324 nan 8.370 nan 0.000 0.486 104 L N 1.416 122.453 121.223 -0.310 0.000 2.301 104 L HA 0.528 4.868 4.340 -0.001 0.000 0.249 104 L C -1.125 175.653 176.870 -0.153 0.000 1.069 104 L CA -1.119 53.659 54.840 -0.105 0.000 0.865 104 L CB 1.365 43.438 42.059 0.025 0.000 1.467 104 L HN 0.185 nan 8.230 nan 0.000 0.419 105 Y N -0.067 120.376 120.300 0.238 0.000 2.499 105 Y HA 0.727 5.276 4.550 -0.001 0.000 0.347 105 Y C -0.092 175.921 175.900 0.189 0.000 0.987 105 Y CA -0.862 57.365 58.100 0.212 0.000 1.044 105 Y CB 2.256 40.904 38.460 0.315 0.000 1.245 105 Y HN 0.497 nan 8.280 nan 0.000 0.461 106 A N 1.872 124.858 122.820 0.277 0.000 2.304 106 A HA 0.765 5.085 4.320 -0.001 0.000 0.314 106 A C -0.024 177.728 177.584 0.279 0.000 1.187 106 A CA -0.151 52.028 52.037 0.235 0.000 0.810 106 A CB 0.209 19.214 19.000 0.009 0.000 1.183 106 A HN 1.470 nan 8.150 nan 0.000 0.487 107 G N 0.724 109.776 108.800 0.421 0.000 3.373 107 G HA2 0.362 4.321 3.960 -0.001 0.000 0.685 107 G HA3 0.362 4.321 3.960 -0.001 0.000 0.685 107 G C 0.440 175.642 174.900 0.504 0.000 1.166 107 G CA -0.131 45.314 45.100 0.575 0.000 1.063 107 G HN 1.926 nan 8.290 nan 0.000 0.481 108 A N 1.711 124.858 122.820 0.545 0.000 2.066 108 A HA 0.271 4.591 4.320 -0.001 0.000 0.218 108 A C 1.210 178.959 177.584 0.276 0.000 1.157 108 A CA 1.618 53.873 52.037 0.364 0.000 0.670 108 A CB 0.096 19.255 19.000 0.265 0.000 0.804 108 A HN 0.828 nan 8.150 nan 0.000 0.453 109 D N -0.352 120.050 120.400 0.003 0.000 2.336 109 D HA 0.193 4.833 4.640 -0.001 0.000 0.249 109 D C 1.232 177.480 176.300 -0.086 0.000 1.213 109 D CA -0.274 53.636 54.000 -0.151 0.000 0.870 109 D CB 0.833 41.281 40.800 -0.586 0.000 1.076 109 D HN 0.154 nan 8.370 nan 0.000 0.483 110 R N 4.031 124.570 120.500 0.064 0.000 2.165 110 R HA -0.229 4.110 4.340 -0.001 0.000 0.254 110 R C 1.989 178.119 176.300 -0.283 0.000 1.153 110 R CA 2.015 58.037 56.100 -0.130 0.000 0.971 110 R CB -0.183 30.105 30.300 -0.021 0.000 0.878 110 R HN 0.476 nan 8.270 nan 0.000 0.449 111 R N -1.485 118.840 120.500 -0.291 0.000 2.148 111 R HA -0.141 4.198 4.340 -0.001 0.000 0.227 111 R C 0.821 176.706 176.300 -0.691 0.000 1.103 111 R CA 1.629 57.426 56.100 -0.505 0.000 0.983 111 R CB -0.001 29.921 30.300 -0.631 0.000 0.874 111 R HN 0.423 nan 8.270 nan 0.000 0.451 112 Y N 0.223 120.389 120.300 -0.222 0.000 2.500 112 Y HA 0.205 4.755 4.550 -0.001 0.000 0.246 112 Y C 0.019 175.859 175.900 -0.100 0.000 1.146 112 Y CA -0.749 57.266 58.100 -0.142 0.000 1.230 112 Y CB 0.278 38.667 38.460 -0.119 0.000 1.214 112 Y HN -0.032 nan 8.280 nan 0.000 0.526 113 R N 1.275 121.737 120.500 -0.063 0.000 2.638 113 R HA 0.137 4.477 4.340 -0.001 0.000 0.268 113 R C -0.749 175.592 176.300 0.069 0.000 1.006 113 R CA -0.203 55.889 56.100 -0.013 0.000 1.088 113 R CB 0.389 30.491 30.300 -0.331 0.000 0.950 113 R HN 0.160 nan 8.270 nan 0.000 0.419 114 L N 2.494 123.814 121.223 0.161 0.000 2.305 114 L HA 0.476 4.815 4.340 -0.001 0.000 0.284 114 L C -0.673 176.300 176.870 0.171 0.000 1.013 114 L CA -0.454 54.462 54.840 0.127 0.000 0.819 114 L CB 1.603 43.694 42.059 0.053 0.000 1.227 114 L HN 0.887 nan 8.230 nan 0.000 0.417 115 A N 5.412 128.270 122.820 0.062 0.000 2.396 115 A HA 0.593 4.912 4.320 -0.001 0.000 0.279 115 A C -0.617 176.954 177.584 -0.021 0.000 1.165 115 A CA -0.287 51.623 52.037 -0.211 0.000 0.824 115 A CB 0.022 18.627 19.000 -0.658 0.000 1.100 115 A HN 0.570 nan 8.150 nan 0.000 0.516 116 V N 4.004 123.947 119.914 0.047 0.000 2.448 116 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 116 V C 0.306 176.453 176.094 0.089 0.000 1.025 116 V CA -0.639 61.682 62.300 0.035 0.000 0.859 116 V CB 1.551 33.252 31.823 -0.203 0.000 0.988 116 V HN 0.963 nan 8.190 nan 0.000 0.431 117 R N 3.914 124.492 120.500 0.130 0.000 2.295 117 R HA 0.698 5.037 4.340 -0.001 0.000 0.324 117 R C -1.541 174.775 176.300 0.026 0.000 0.968 117 R CA -0.347 55.801 56.100 0.081 0.000 0.837 117 R CB 1.591 31.992 30.300 0.169 0.000 1.133 117 R HN 0.529 nan 8.270 nan 0.000 0.450 118 V N 5.633 125.534 119.914 -0.022 0.000 2.398 118 V HA 0.359 4.478 4.120 -0.001 0.000 0.286 118 V C -0.455 175.624 176.094 -0.025 0.000 1.026 118 V CA -0.686 61.608 62.300 -0.010 0.000 0.868 118 V CB 1.711 33.531 31.823 -0.005 0.000 0.982 118 V HN 0.532 nan 8.190 nan 0.000 0.443 119 V N 4.272 124.185 119.914 -0.001 0.000 2.444 119 V HA 0.681 4.801 4.120 -0.001 0.000 0.294 119 V C -0.001 176.125 176.094 0.053 0.000 1.022 119 V CA -0.161 62.125 62.300 -0.023 0.000 0.850 119 V CB 1.790 33.587 31.823 -0.043 0.000 0.992 119 V HN 0.959 nan 8.190 nan 0.000 0.426 120 T N 2.052 116.662 114.554 0.093 0.000 2.900 120 T HA 0.368 4.718 4.350 -0.001 0.000 0.303 120 T C 0.662 175.504 174.700 0.237 0.000 1.142 120 T CA -0.184 62.023 62.100 0.177 0.000 1.007 120 T CB 2.133 71.125 68.868 0.207 0.000 1.156 120 T HN 0.879 nan 8.240 nan 0.000 0.490 121 E N 1.122 121.460 120.200 0.229 0.000 2.442 121 E HA 0.187 4.536 4.350 -0.001 0.000 0.195 121 E C 0.496 177.309 176.600 0.355 0.000 1.030 121 E CA -0.137 56.441 56.400 0.298 0.000 0.869 121 E CB 0.300 30.169 29.700 0.282 0.000 0.857 121 E HN 0.242 nan 8.360 nan 0.000 0.505 122 S N 1.442 117.284 115.700 0.238 0.000 2.448 122 S HA 0.247 4.717 4.470 -0.001 0.000 0.320 122 S C -1.989 172.519 174.600 -0.153 0.000 1.071 122 S CA -2.067 56.213 58.200 0.132 0.000 1.113 122 S CB 1.282 64.596 63.200 0.191 0.000 0.972 122 S HN -0.152 nan 8.310 nan 0.000 0.465 123 P HA -0.104 nan 4.420 nan 0.000 0.216 123 P C 1.631 178.800 177.300 -0.219 0.000 1.153 123 P CA 1.164 63.827 63.100 -0.728 0.000 0.858 123 P CB -0.171 31.161 31.700 -0.614 0.000 0.789 124 W N -0.517 120.678 121.300 -0.176 0.000 2.425 124 W HA -0.123 4.537 4.660 -0.001 0.000 0.277 124 W C 1.091 177.502 176.519 -0.179 0.000 1.231 124 W CA 0.822 58.060 57.345 -0.178 0.000 1.248 124 W CB -1.721 27.626 29.460 -0.189 0.000 1.117 124 W HN 0.143 nan 8.180 nan 0.000 0.568 125 H N 1.283 120.072 119.070 -0.469 0.000 2.462 125 H HA 0.091 4.646 4.556 -0.001 0.000 0.292 125 H C 2.655 177.883 175.328 -0.166 0.000 1.049 125 H CA 2.193 57.938 56.048 -0.506 0.000 1.334 125 H CB -0.338 28.993 29.762 -0.717 0.000 1.404 125 H HN 0.202 nan 8.280 nan 0.000 0.544 126 A N 0.730 123.526 122.820 -0.040 0.000 1.898 126 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 126 A C 2.165 179.754 177.584 0.009 0.000 1.181 126 A CA 1.282 53.315 52.037 -0.007 0.000 0.620 126 A CB -0.605 18.381 19.000 -0.024 0.000 0.819 126 A HN 0.355 nan 8.150 nan 0.000 0.442 127 L N -1.323 119.904 121.223 0.007 0.000 2.093 127 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 127 L C 2.154 179.035 176.870 0.019 0.000 1.085 127 L CA 2.171 57.016 54.840 0.008 0.000 0.755 127 L CB -0.825 41.243 42.059 0.016 0.000 0.904 127 L HN 0.450 nan 8.230 nan 0.000 0.435 128 F N 0.425 120.346 119.950 -0.048 0.000 2.095 128 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 128 F C 2.297 178.004 175.800 -0.154 0.000 1.104 128 F CA 1.901 59.845 58.000 -0.092 0.000 1.232 128 F CB -0.555 38.387 39.000 -0.097 0.000 0.987 128 F HN 0.138 nan 8.300 nan 0.000 0.475 129 A N 0.616 123.394 122.820 -0.070 0.000 1.908 129 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 129 A C 2.365 179.903 177.584 -0.076 0.000 1.181 129 A CA 1.817 53.831 52.037 -0.037 0.000 0.627 129 A CB -0.943 18.162 19.000 0.175 0.000 0.818 129 A HN 0.512 nan 8.150 nan 0.000 0.445 130 R N -0.480 119.979 120.500 -0.069 0.000 2.081 130 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 130 R C 1.796 178.009 176.300 -0.146 0.000 1.131 130 R CA 1.716 57.784 56.100 -0.053 0.000 0.960 130 R CB -0.237 30.043 30.300 -0.033 0.000 0.856 130 R HN 0.538 nan 8.270 nan 0.000 0.436 131 N N 0.283 118.821 118.700 -0.270 0.000 2.135 131 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 131 N C 1.592 176.814 175.510 -0.479 0.000 1.027 131 N CA 1.304 54.150 53.050 -0.341 0.000 0.849 131 N CB -0.239 38.029 38.487 -0.365 0.000 1.002 131 N HN 0.146 nan 8.380 nan 0.000 0.425 132 M N -0.425 118.689 119.600 -0.811 0.000 2.175 132 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 132 M C 0.041 175.793 176.300 -0.913 0.000 1.063 132 M CA 1.240 55.892 55.300 -1.081 0.000 1.119 132 M CB -0.063 31.460 32.600 -1.794 0.000 1.377 132 M HN -0.040 nan 8.290 nan 0.000 0.415 133 F N -1.299 118.524 119.950 -0.211 0.000 2.456 133 F HA 0.478 5.004 4.527 -0.001 0.000 0.364 133 F C 0.045 175.846 175.800 0.002 0.000 1.092 133 F CA -1.201 56.759 58.000 -0.067 0.000 1.125 133 F CB 0.322 39.306 39.000 -0.026 0.000 1.543 133 F HN -0.361 nan 8.300 nan 0.000 0.504 134 I N 1.720 122.504 120.570 0.357 0.000 2.354 134 I HA 0.246 4.415 4.170 -0.001 0.000 0.292 134 I C -0.754 175.571 176.117 0.347 0.000 0.989 134 I CA -0.433 61.041 61.300 0.290 0.000 1.188 134 I CB 1.195 39.406 38.000 0.352 0.000 1.342 134 I HN 0.195 nan 8.210 nan 0.000 0.457 135 L N 7.993 129.353 121.223 0.228 0.000 2.426 135 L HA 0.157 4.496 4.340 -0.001 0.000 0.271 135 L C -1.353 175.743 176.870 0.378 0.000 1.169 135 L CA -1.245 53.735 54.840 0.233 0.000 0.836 135 L CB 0.481 42.618 42.059 0.131 0.000 1.112 135 L HN 0.372 nan 8.230 nan 0.000 0.465 136 P HA -0.203 nan 4.420 nan 0.000 0.216 136 P C 1.260 178.803 177.300 0.404 0.000 1.153 136 P CA 1.260 64.722 63.100 0.602 0.000 0.858 136 P CB -0.018 31.958 31.700 0.461 0.000 0.789 137 R N -0.384 120.260 120.500 0.240 0.000 2.249 137 R HA -0.087 4.253 4.340 -0.001 0.000 0.230 137 R C 1.726 178.085 176.300 0.099 0.000 1.121 137 R CA 1.054 57.247 56.100 0.154 0.000 0.997 137 R CB -0.683 29.680 30.300 0.106 0.000 0.867 137 R HN 0.084 nan 8.270 nan 0.000 0.465 138 R N 0.160 120.695 120.500 0.058 0.000 2.189 138 R HA -0.031 4.308 4.340 -0.001 0.000 0.223 138 R C 1.543 177.684 176.300 -0.266 0.000 1.092 138 R CA 1.054 57.071 56.100 -0.139 0.000 0.989 138 R CB -0.370 29.770 30.300 -0.268 0.000 0.876 138 R HN 0.350 nan 8.270 nan 0.000 0.457 139 F N -0.610 119.353 119.950 0.021 0.000 2.619 139 F HA 0.282 4.808 4.527 -0.001 0.000 0.293 139 F C 1.293 177.090 175.800 -0.004 0.000 1.119 139 F CA 0.620 58.604 58.000 -0.026 0.000 1.445 139 F CB 0.517 39.449 39.000 -0.113 0.000 1.119 139 F HN 0.086 nan 8.300 nan 0.000 0.573 140 G N -0.264 108.644 108.800 0.180 0.000 2.337 140 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.310 140 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.310 140 G C -0.419 174.552 174.900 0.118 0.000 1.534 140 G CA -0.800 44.371 45.100 0.119 0.000 0.982 140 G HN -0.116 nan 8.290 nan 0.000 0.672 141 N N 0.098 118.849 118.700 0.086 0.000 2.494 141 N HA -0.030 4.709 4.740 -0.001 0.000 0.182 141 N C 1.575 177.131 175.510 0.077 0.000 1.076 141 N CA 1.408 54.506 53.050 0.080 0.000 0.908 141 N CB 0.092 38.614 38.487 0.059 0.000 0.967 141 N HN 0.751 nan 8.380 nan 0.000 0.449 142 D N 1.441 121.885 120.400 0.073 0.000 2.286 142 D HA -0.191 4.448 4.640 -0.001 0.000 0.197 142 D C 0.162 176.502 176.300 0.068 0.000 1.015 142 D CA 1.145 55.182 54.000 0.061 0.000 0.871 142 D CB -0.731 40.100 40.800 0.052 0.000 1.044 142 D HN 0.074 nan 8.370 nan 0.000 0.459 143 D N 1.093 121.545 120.400 0.087 0.000 2.406 143 D HA 0.142 4.782 4.640 -0.001 0.000 0.234 143 D C -0.064 176.300 176.300 0.107 0.000 1.196 143 D CA 0.438 54.499 54.000 0.101 0.000 0.881 143 D CB 0.256 41.146 40.800 0.150 0.000 1.205 143 D HN 0.251 nan 8.370 nan 0.000 0.453 144 E N -0.456 119.804 120.200 0.099 0.000 2.202 144 E HA 0.255 4.604 4.350 -0.001 0.000 0.272 144 E C 1.119 177.786 176.600 0.112 0.000 0.951 144 E CA -0.815 55.635 56.400 0.083 0.000 0.813 144 E CB 1.530 31.260 29.700 0.050 0.000 1.151 144 E HN 0.156 nan 8.360 nan 0.000 0.398 145 V N -0.147 119.816 119.914 0.081 0.000 2.295 145 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 145 V C 1.849 177.976 176.094 0.055 0.000 1.049 145 V CA 2.064 64.406 62.300 0.071 0.000 1.024 145 V CB -0.456 31.378 31.823 0.018 0.000 0.648 145 V HN 0.696 nan 8.190 nan 0.000 0.447 146 E N 1.330 121.530 120.200 -0.000 0.000 2.268 146 E HA -0.006 4.344 4.350 -0.001 0.000 0.195 146 E C 1.991 178.608 176.600 0.030 0.000 0.995 146 E CA 1.307 57.686 56.400 -0.036 0.000 0.836 146 E CB -0.476 29.183 29.700 -0.067 0.000 0.763 146 E HN 0.734 nan 8.360 nan 0.000 0.491 147 A N 0.109 122.970 122.820 0.068 0.000 2.016 147 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 147 A C 0.762 178.412 177.584 0.111 0.000 1.162 147 A CA -0.119 51.961 52.037 0.071 0.000 0.662 147 A CB -0.630 18.407 19.000 0.061 0.000 0.812 147 A HN 0.403 nan 8.150 nan 0.000 0.450 148 F N 1.208 121.168 119.950 0.016 0.000 2.548 148 F HA 0.181 4.708 4.527 -0.001 0.000 0.403 148 F C -0.194 175.613 175.800 0.011 0.000 1.004 148 F CA 0.542 58.555 58.000 0.021 0.000 1.177 148 F CB 0.445 39.454 39.000 0.015 0.000 0.974 148 F HN -0.086 nan 8.300 nan 0.000 0.541 149 V N 8.766 128.427 119.914 -0.421 0.000 2.326 149 V HA 0.265 4.384 4.120 -0.001 0.000 0.281 149 V C -1.999 173.844 176.094 -0.417 0.000 1.015 149 V CA -1.807 60.339 62.300 -0.257 0.000 0.823 149 V CB 0.983 32.713 31.823 -0.155 0.000 1.009 149 V HN 0.636 nan 8.190 nan 0.000 0.436 150 P HA 0.145 nan 4.420 nan 0.000 0.264 150 P C 0.978 178.244 177.300 -0.057 0.000 1.193 150 P CA 0.318 63.385 63.100 -0.056 0.000 0.763 150 P CB 0.889 32.678 31.700 0.149 0.000 0.810 151 G N 1.188 109.977 108.800 -0.019 0.000 2.921 151 G HA2 0.194 4.153 3.960 -0.001 0.000 0.213 151 G HA3 0.194 4.153 3.960 -0.001 0.000 0.213 151 G C -0.357 174.643 174.900 0.166 0.000 1.143 151 G CA 0.286 45.418 45.100 0.053 0.000 0.764 151 G HN 0.436 nan 8.290 nan 0.000 0.542 152 F N -0.284 119.664 119.950 -0.002 0.000 2.690 152 F HA 0.462 4.989 4.527 -0.001 0.000 0.311 152 F C -1.043 174.762 175.800 0.009 0.000 1.111 152 F CA -0.603 57.400 58.000 0.005 0.000 1.003 152 F CB 1.923 40.921 39.000 -0.003 0.000 1.283 152 F HN -0.162 nan 8.300 nan 0.000 0.442 153 T N 3.486 118.128 114.554 0.145 0.000 2.876 153 T HA 0.658 5.008 4.350 -0.001 0.000 0.289 153 T C -1.355 173.454 174.700 0.182 0.000 1.014 153 T CA -0.647 61.537 62.100 0.140 0.000 0.986 153 T CB 2.005 70.921 68.868 0.080 0.000 1.021 153 T HN 0.286 nan 8.240 nan 0.000 0.458 154 V N 3.311 123.307 119.914 0.137 0.000 2.384 154 V HA 0.422 4.542 4.120 -0.001 0.000 0.287 154 V C -0.298 175.867 176.094 0.119 0.000 1.020 154 V CA -0.699 61.680 62.300 0.131 0.000 0.850 154 V CB 1.632 33.501 31.823 0.077 0.000 0.987 154 V HN 0.715 nan 8.190 nan 0.000 0.436 155 V N 5.130 125.132 119.914 0.147 0.000 2.311 155 V HA 0.338 4.457 4.120 -0.001 0.000 0.275 155 V C -0.035 176.120 176.094 0.102 0.000 1.022 155 V CA -0.504 61.861 62.300 0.109 0.000 0.830 155 V CB 0.865 32.760 31.823 0.120 0.000 1.012 155 V HN 0.857 nan 8.190 nan 0.000 0.452 156 H N 4.883 123.931 119.070 -0.037 0.000 2.581 156 H HA 0.651 5.206 4.556 -0.001 0.000 0.308 156 H C -0.363 174.914 175.328 -0.085 0.000 1.040 156 H CA -0.381 55.613 56.048 -0.089 0.000 1.231 156 H CB 1.609 31.294 29.762 -0.127 0.000 1.396 156 H HN 0.673 nan 8.280 nan 0.000 0.467 157 A N 7.913 130.515 122.820 -0.364 0.000 3.159 157 A HA 0.267 4.586 4.320 -0.001 0.000 0.330 157 A C -2.023 175.358 177.584 -0.339 0.000 1.032 157 A CA -1.224 50.685 52.037 -0.212 0.000 0.841 157 A CB 0.523 19.493 19.000 -0.050 0.000 1.093 157 A HN 0.583 nan 8.150 nan 0.000 0.478 158 P HA -0.202 nan 4.420 nan 0.000 0.219 158 P C 0.687 177.739 177.300 -0.414 0.000 1.146 158 P CA 1.483 64.207 63.100 -0.628 0.000 0.808 158 P CB -0.025 31.136 31.700 -0.899 0.000 0.779 159 Y N -2.004 118.270 120.300 -0.044 0.000 2.544 159 Y HA 0.127 4.676 4.550 -0.001 0.000 0.286 159 Y C 1.410 177.236 175.900 -0.123 0.000 1.141 159 Y CA -0.501 57.602 58.100 0.005 0.000 1.299 159 Y CB -0.515 38.022 38.460 0.128 0.000 1.030 159 Y HN -0.157 nan 8.280 nan 0.000 0.543 160 F N 2.460 122.223 119.950 -0.310 0.000 2.456 160 F HA 0.238 4.764 4.527 -0.001 0.000 0.358 160 F C -0.117 175.522 175.800 -0.268 0.000 1.095 160 F CA -0.724 56.956 58.000 -0.533 0.000 1.216 160 F CB 0.446 39.043 39.000 -0.673 0.000 1.125 160 F HN -0.060 nan 8.300 nan 0.000 0.549 161 Q N 5.472 124.999 119.800 -0.455 0.000 2.333 161 Q HA 0.594 4.934 4.340 -0.001 0.000 0.265 161 Q C -0.394 175.483 176.000 -0.205 0.000 0.989 161 Q CA -1.104 54.584 55.803 -0.192 0.000 0.842 161 Q CB 1.761 30.405 28.738 -0.157 0.000 1.262 161 Q HN 0.838 nan 8.270 nan 0.000 0.451 162 A N 2.287 125.147 122.820 0.065 0.000 2.366 162 A HA 0.424 4.743 4.320 -0.001 0.000 0.249 162 A C -0.246 177.342 177.584 0.006 0.000 1.084 162 A CA -0.287 51.809 52.037 0.098 0.000 0.794 162 A CB 0.628 19.689 19.000 0.102 0.000 1.034 162 A HN 0.520 nan 8.150 nan 0.000 0.491 163 V N 4.017 123.932 119.914 0.001 0.000 2.380 163 V HA 0.216 4.335 4.120 -0.001 0.000 0.286 163 V C -1.768 174.335 176.094 0.015 0.000 1.015 163 V CA -0.884 61.411 62.300 -0.008 0.000 0.834 163 V CB 1.326 33.127 31.823 -0.037 0.000 1.009 163 V HN 0.796 nan 8.190 nan 0.000 0.428 164 P HA -0.275 nan 4.420 nan 0.000 0.219 164 P C 1.587 178.904 177.300 0.028 0.000 1.161 164 P CA 1.721 64.850 63.100 0.048 0.000 0.909 164 P CB 0.435 32.172 31.700 0.060 0.000 0.793 165 E N -0.983 119.226 120.200 0.016 0.000 2.204 165 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 165 E C 2.228 178.825 176.600 -0.004 0.000 0.990 165 E CA 0.824 57.227 56.400 0.005 0.000 0.821 165 E CB -0.122 29.579 29.700 0.002 0.000 0.750 165 E HN 0.047 nan 8.360 nan 0.000 0.477 166 R N -0.287 120.210 120.500 -0.005 0.000 2.105 166 R HA -0.039 4.301 4.340 -0.001 0.000 0.214 166 R C 0.898 177.190 176.300 -0.013 0.000 1.091 166 R CA 1.331 57.424 56.100 -0.011 0.000 1.007 166 R CB 0.325 30.617 30.300 -0.013 0.000 0.912 166 R HN 0.130 nan 8.270 nan 0.000 0.450 167 D N -1.224 119.172 120.400 -0.007 0.000 2.366 167 D HA 0.140 4.780 4.640 -0.001 0.000 0.205 167 D C 0.918 177.224 176.300 0.010 0.000 1.022 167 D CA 0.993 54.985 54.000 -0.014 0.000 0.868 167 D CB 0.905 41.686 40.800 -0.033 0.000 0.953 167 D HN 0.479 nan 8.370 nan 0.000 0.514 168 G N 1.500 110.309 108.800 0.016 0.000 2.143 168 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.249 168 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.249 168 G C 0.682 175.664 174.900 0.136 0.000 0.981 168 G CA 0.776 45.885 45.100 0.015 0.000 0.665 168 G HN 0.482 nan 8.290 nan 0.000 0.528 169 T N -2.836 111.798 114.554 0.135 0.000 2.788 169 T HA 0.589 4.938 4.350 -0.001 0.000 0.280 169 T C 1.328 176.150 174.700 0.203 0.000 0.984 169 T CA 0.319 62.514 62.100 0.158 0.000 0.972 169 T CB 1.843 70.771 68.868 0.101 0.000 1.039 169 T HN 0.274 nan 8.240 nan 0.000 0.530 170 R N -0.032 120.654 120.500 0.311 0.000 2.100 170 R HA 0.084 4.424 4.340 -0.001 0.000 0.220 170 R C 0.946 177.361 176.300 0.192 0.000 1.091 170 R CA 1.063 57.331 56.100 0.279 0.000 0.986 170 R CB -0.113 30.402 30.300 0.358 0.000 0.888 170 R HN 0.873 nan 8.270 nan 0.000 0.444 171 S N -1.510 114.306 115.700 0.193 0.000 2.973 171 S HA 0.056 4.526 4.470 -0.001 0.000 0.317 171 S C 0.526 175.202 174.600 0.127 0.000 1.196 171 S CA -0.589 57.697 58.200 0.144 0.000 0.894 171 S CB 0.969 64.257 63.200 0.148 0.000 1.292 171 S HN 0.309 nan 8.310 nan 0.000 0.614 172 E N -0.112 120.155 120.200 0.111 0.000 2.427 172 E HA 0.141 4.491 4.350 -0.001 0.000 0.196 172 E C -0.092 176.550 176.600 0.069 0.000 1.028 172 E CA 0.385 56.836 56.400 0.085 0.000 0.864 172 E CB -0.127 29.626 29.700 0.088 0.000 0.813 172 E HN 0.288 nan 8.360 nan 0.000 0.514 173 V N 1.523 121.460 119.914 0.039 0.000 2.539 173 V HA 0.398 4.518 4.120 -0.001 0.000 0.292 173 V C -0.879 175.298 176.094 0.138 0.000 1.045 173 V CA -0.553 61.722 62.300 -0.040 0.000 0.945 173 V CB 0.975 32.625 31.823 -0.289 0.000 0.993 173 V HN 0.255 nan 8.190 nan 0.000 0.464 174 F N 4.244 124.160 119.950 -0.056 0.000 2.605 174 F HA 0.669 5.196 4.527 -0.001 0.000 0.320 174 F C -1.084 174.707 175.800 -0.014 0.000 1.159 174 F CA -0.515 57.476 58.000 -0.014 0.000 0.999 174 F CB 1.793 40.738 39.000 -0.092 0.000 1.258 174 F HN 0.214 nan 8.300 nan 0.000 0.464 175 V N 5.454 124.996 119.914 -0.619 0.000 2.357 175 V HA 0.707 4.826 4.120 -0.001 0.000 0.281 175 V C -0.002 175.664 176.094 -0.714 0.000 1.015 175 V CA -0.450 61.594 62.300 -0.426 0.000 0.827 175 V CB 1.274 32.977 31.823 -0.199 0.000 1.018 175 V HN 0.983 nan 8.190 nan 0.000 0.432 176 G N 4.894 113.375 108.800 -0.532 0.000 2.461 176 G HA2 0.791 4.751 3.960 -0.001 0.000 0.323 176 G HA3 0.791 4.751 3.960 -0.001 0.000 0.323 176 G C -0.987 173.934 174.900 0.034 0.000 1.229 176 G CA -0.554 44.417 45.100 -0.215 0.000 0.941 176 G HN 0.571 nan 8.290 nan 0.000 0.477 177 I N 1.550 122.048 120.570 -0.120 0.000 2.389 177 I HA 0.338 4.508 4.170 -0.001 0.000 0.288 177 I C 0.017 175.864 176.117 -0.449 0.000 0.999 177 I CA -0.684 60.455 61.300 -0.267 0.000 1.129 177 I CB 2.178 39.929 38.000 -0.414 0.000 1.288 177 I HN 0.438 nan 8.210 nan 0.000 0.444 178 S N 5.576 120.978 115.700 -0.496 0.000 2.520 178 S HA 0.435 4.904 4.470 -0.001 0.000 0.324 178 S C 0.538 174.913 174.600 -0.375 0.000 1.069 178 S CA -0.497 57.400 58.200 -0.506 0.000 1.121 178 S CB 0.354 63.147 63.200 -0.678 0.000 0.971 178 S HN 0.484 nan 8.310 nan 0.000 0.463 179 F N 2.691 122.586 119.950 -0.092 0.000 2.259 179 F HA 0.007 4.533 4.527 -0.001 0.000 0.298 179 F C 2.651 178.404 175.800 -0.078 0.000 1.088 179 F CA 0.784 58.758 58.000 -0.043 0.000 1.358 179 F CB 0.041 38.913 39.000 -0.214 0.000 1.040 179 F HN 0.585 nan 8.300 nan 0.000 0.505 180 Q N 0.873 120.711 119.800 0.064 0.000 2.046 180 Q HA -0.153 4.187 4.340 -0.001 0.000 0.200 180 Q C 1.909 177.864 176.000 -0.074 0.000 0.975 180 Q CA 1.434 57.248 55.803 0.018 0.000 0.836 180 Q CB -0.004 28.741 28.738 0.011 0.000 0.896 180 Q HN 0.362 nan 8.270 nan 0.000 0.428 181 R N -0.345 120.059 120.500 -0.160 0.000 2.310 181 R HA 0.151 4.491 4.340 -0.001 0.000 0.202 181 R C 0.048 176.143 176.300 -0.340 0.000 0.933 181 R CA 0.001 55.978 56.100 -0.205 0.000 1.054 181 R CB 0.217 30.397 30.300 -0.201 0.000 0.985 181 R HN 0.173 nan 8.270 nan 0.000 0.489 182 R N 0.686 120.872 120.500 -0.523 0.000 3.336 182 R HA -0.156 4.183 4.340 -0.001 0.000 0.260 182 R C -1.145 174.417 176.300 -1.230 0.000 1.032 182 R CA 0.411 55.771 56.100 -1.233 0.000 0.693 182 R CB -1.723 28.106 30.300 -0.785 0.000 1.134 182 R HN 0.186 nan 8.270 nan 0.000 0.433 183 L N -0.291 120.521 121.223 -0.685 0.000 2.388 183 L HA 0.696 5.035 4.340 -0.001 0.000 0.264 183 L C -0.273 176.677 176.870 0.134 0.000 0.998 183 L CA -1.245 53.495 54.840 -0.166 0.000 0.817 183 L CB 2.556 44.591 42.059 -0.040 0.000 1.338 183 L HN -0.191 nan 8.230 nan 0.000 0.414 184 V N 3.300 123.369 119.914 0.257 0.000 2.444 184 V HA 0.424 4.544 4.120 -0.001 0.000 0.294 184 V C -0.779 175.469 176.094 0.256 0.000 1.022 184 V CA -0.480 61.958 62.300 0.231 0.000 0.850 184 V CB 2.125 34.055 31.823 0.179 0.000 0.992 184 V HN 0.426 nan 8.190 nan 0.000 0.426 185 L N 7.262 128.674 121.223 0.316 0.000 2.305 185 L HA 0.707 5.046 4.340 -0.001 0.000 0.284 185 L C -0.774 176.213 176.870 0.195 0.000 1.013 185 L CA 0.187 55.202 54.840 0.290 0.000 0.819 185 L CB 1.201 43.487 42.059 0.379 0.000 1.227 185 L HN 0.561 nan 8.230 nan 0.000 0.417 186 I N 6.403 127.035 120.570 0.103 0.000 2.447 186 I HA 0.605 4.774 4.170 -0.001 0.000 0.287 186 I C -0.730 175.340 176.117 -0.078 0.000 1.023 186 I CA -0.806 60.518 61.300 0.040 0.000 1.083 186 I CB 1.968 40.024 38.000 0.094 0.000 1.245 186 I HN 0.500 nan 8.210 nan 0.000 0.434 187 V N 1.765 121.650 119.914 -0.048 0.000 3.130 187 V HA 0.930 5.050 4.120 -0.001 0.000 0.310 187 V C 0.604 176.654 176.094 -0.072 0.000 1.158 187 V CA 0.127 62.372 62.300 -0.091 0.000 1.029 187 V CB 1.419 33.227 31.823 -0.025 0.000 1.057 187 V HN 0.997 nan 8.190 nan 0.000 0.436 188 G N 0.974 109.727 108.800 -0.078 0.000 2.257 188 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.267 188 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.267 188 G C 0.517 175.327 174.900 -0.149 0.000 0.984 188 G CA 1.055 46.110 45.100 -0.076 0.000 0.626 188 G HN 1.900 nan 8.290 nan 0.000 0.540 189 T N -1.009 113.421 114.554 -0.208 0.000 2.886 189 T HA 0.633 4.982 4.350 -0.001 0.000 0.292 189 T C 0.879 175.530 174.700 -0.083 0.000 1.012 189 T CA -0.128 61.882 62.100 -0.150 0.000 0.982 189 T CB 1.323 70.033 68.868 -0.265 0.000 1.018 189 T HN 0.141 nan 8.240 nan 0.000 0.451 190 K N 2.628 123.079 120.400 0.084 0.000 2.393 190 K HA 0.094 4.413 4.320 -0.001 0.000 0.193 190 K C -0.089 176.735 176.600 0.374 0.000 1.026 190 K CA -0.202 56.176 56.287 0.151 0.000 1.064 190 K CB 0.120 32.797 32.500 0.294 0.000 0.833 190 K HN 0.587 nan 8.250 nan 0.000 0.521 191 Y N 1.906 122.318 120.300 0.186 0.000 2.677 191 Y HA -0.039 4.511 4.550 -0.001 0.000 0.335 191 Y C 1.258 177.182 175.900 0.039 0.000 1.162 191 Y CA -0.845 57.362 58.100 0.178 0.000 1.483 191 Y CB 0.437 38.993 38.460 0.160 0.000 1.209 191 Y HN 0.078 nan 8.280 nan 0.000 0.528 192 A N 5.052 127.559 122.820 -0.522 0.000 2.019 192 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 192 A C 2.347 179.233 177.584 -1.163 0.000 1.164 192 A CA 1.547 52.956 52.037 -1.047 0.000 0.644 192 A CB -1.298 16.660 19.000 -1.736 0.000 0.805 192 A HN 1.034 nan 8.150 nan 0.000 0.449 193 G N -0.199 107.806 108.800 -1.325 0.000 2.475 193 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.220 193 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.220 193 G C 1.311 176.102 174.900 -0.182 0.000 1.125 193 G CA 1.006 45.704 45.100 -0.671 0.000 0.755 193 G HN 0.540 nan 8.290 nan 0.000 0.565 194 E N 0.363 120.519 120.200 -0.074 0.000 2.118 194 E HA -0.092 4.258 4.350 -0.001 0.000 0.195 194 E C 2.552 179.156 176.600 0.007 0.000 0.992 194 E CA 0.586 57.021 56.400 0.057 0.000 0.804 194 E CB -0.150 29.598 29.700 0.079 0.000 0.741 194 E HN 0.556 nan 8.360 nan 0.000 0.458 195 I N 1.028 121.551 120.570 -0.078 0.000 2.193 195 I HA -0.242 3.927 4.170 -0.001 0.000 0.240 195 I C 2.707 178.916 176.117 0.152 0.000 1.084 195 I CA 1.045 62.358 61.300 0.021 0.000 1.365 195 I CB -0.263 37.733 38.000 -0.008 0.000 1.064 195 I HN 0.035 nan 8.210 nan 0.000 0.410 196 K N 1.253 121.716 120.400 0.105 0.000 2.009 196 K HA -0.218 4.101 4.320 -0.001 0.000 0.210 196 K C 2.114 178.762 176.600 0.080 0.000 1.049 196 K CA 1.509 57.846 56.287 0.084 0.000 0.929 196 K CB 0.066 32.494 32.500 -0.121 0.000 0.714 196 K HN 0.025 nan 8.250 nan 0.000 0.440 197 K N 0.671 121.082 120.400 0.020 0.000 2.217 197 K HA -0.043 4.277 4.320 -0.001 0.000 0.202 197 K C 2.251 178.930 176.600 0.132 0.000 1.051 197 K CA 1.390 57.683 56.287 0.009 0.000 0.952 197 K CB -0.092 32.406 32.500 -0.003 0.000 0.736 197 K HN 0.393 nan 8.250 nan 0.000 0.453 198 S N 0.831 116.599 115.700 0.113 0.000 2.387 198 S HA -0.041 4.429 4.470 -0.001 0.000 0.226 198 S C 1.969 176.586 174.600 0.028 0.000 1.026 198 S CA 0.475 58.719 58.200 0.073 0.000 0.972 198 S CB -0.179 63.045 63.200 0.040 0.000 0.814 198 S HN 0.010 nan 8.310 nan 0.000 0.477 199 I N 1.097 121.706 120.570 0.064 0.000 2.315 199 I HA 0.002 4.171 4.170 -0.001 0.000 0.248 199 I C 2.202 178.370 176.117 0.084 0.000 1.117 199 I CA 0.797 62.094 61.300 -0.004 0.000 1.404 199 I CB -1.342 36.676 38.000 0.030 0.000 1.071 199 I HN 0.284 nan 8.210 nan 0.000 0.419 200 F N 2.300 122.255 119.950 0.008 0.000 2.134 200 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 200 F C 2.548 178.388 175.800 0.066 0.000 1.097 200 F CA 1.754 59.774 58.000 0.033 0.000 1.264 200 F CB -0.903 38.031 39.000 -0.111 0.000 1.001 200 F HN 0.010 nan 8.300 nan 0.000 0.479 201 T N 0.219 114.762 114.554 -0.018 0.000 2.759 201 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 201 T C 2.272 177.005 174.700 0.055 0.000 1.042 201 T CA 1.594 63.678 62.100 -0.026 0.000 1.140 201 T CB -0.681 68.246 68.868 0.097 0.000 0.864 201 T HN 0.140 nan 8.240 nan 0.000 0.455 202 V N 1.611 121.523 119.914 -0.003 0.000 2.358 202 V HA -0.139 3.980 4.120 -0.001 0.000 0.246 202 V C 2.552 178.680 176.094 0.057 0.000 1.047 202 V CA 1.304 63.604 62.300 0.000 0.000 1.035 202 V CB -0.501 30.986 31.823 -0.559 0.000 0.658 202 V HN 0.454 nan 8.190 nan 0.000 0.452 203 M N 0.022 119.594 119.600 -0.047 0.000 2.296 203 M HA -0.084 4.395 4.480 -0.001 0.000 0.265 203 M C 1.782 178.109 176.300 0.045 0.000 1.064 203 M CA 1.244 56.493 55.300 -0.085 0.000 1.109 203 M CB -1.352 31.057 32.600 -0.319 0.000 1.396 203 M HN 0.382 nan 8.290 nan 0.000 0.430 204 N N -0.605 118.107 118.700 0.020 0.000 2.550 204 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 204 N C 1.343 177.004 175.510 0.252 0.000 1.110 204 N CA 0.736 53.836 53.050 0.083 0.000 0.912 204 N CB -0.066 38.311 38.487 -0.184 0.000 0.968 204 N HN 0.465 nan 8.380 nan 0.000 0.448 205 Y N 0.371 120.698 120.300 0.045 0.000 2.382 205 Y HA 0.244 4.793 4.550 -0.001 0.000 0.292 205 Y C 1.992 177.862 175.900 -0.050 0.000 1.151 205 Y CA 0.382 58.438 58.100 -0.073 0.000 1.198 205 Y CB -0.316 37.935 38.460 -0.348 0.000 1.195 205 Y HN -0.172 nan 8.280 nan 0.000 0.530 206 L N -0.236 120.986 121.223 -0.000 0.000 2.056 206 L HA -0.216 4.123 4.340 -0.001 0.000 0.207 206 L C 2.336 179.190 176.870 -0.027 0.000 1.078 206 L CA 1.000 55.817 54.840 -0.039 0.000 0.749 206 L CB -0.495 41.637 42.059 0.121 0.000 0.901 206 L HN 0.304 nan 8.230 nan 0.000 0.433 207 M N -0.465 119.158 119.600 0.038 0.000 2.117 207 M HA -0.106 4.373 4.480 -0.001 0.000 0.262 207 M C -0.084 176.262 176.300 0.077 0.000 1.065 207 M CA 1.973 57.337 55.300 0.105 0.000 1.114 207 M CB -2.119 30.600 32.600 0.199 0.000 1.361 207 M HN 0.037 nan 8.290 nan 0.000 0.408 208 P HA -0.145 nan 4.420 nan 0.000 0.216 208 P C 1.151 178.410 177.300 -0.068 0.000 1.150 208 P CA 1.342 64.438 63.100 -0.008 0.000 0.837 208 P CB -0.172 31.472 31.700 -0.094 0.000 0.786 209 K N -0.692 119.623 120.400 -0.142 0.000 2.360 209 K HA -0.060 4.259 4.320 -0.001 0.000 0.201 209 K C 1.627 178.211 176.600 -0.028 0.000 1.046 209 K CA 0.907 57.113 56.287 -0.136 0.000 0.945 209 K CB -0.132 32.230 32.500 -0.230 0.000 0.750 209 K HN 0.139 nan 8.250 nan 0.000 0.464 210 R N -0.592 119.929 120.500 0.036 0.000 2.468 210 R HA 0.093 4.433 4.340 -0.001 0.000 0.280 210 R C 0.569 176.950 176.300 0.134 0.000 0.963 210 R CA 0.396 56.568 56.100 0.120 0.000 1.083 210 R CB 0.983 31.419 30.300 0.228 0.000 1.200 210 R HN 0.315 nan 8.270 nan 0.000 0.541 211 G N 0.851 109.694 108.800 0.071 0.000 2.159 211 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.256 211 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.256 211 G C 0.142 175.085 174.900 0.073 0.000 0.977 211 G CA 0.050 45.187 45.100 0.062 0.000 0.652 211 G HN 0.149 nan 8.290 nan 0.000 0.531 212 V N 1.406 121.369 119.914 0.081 0.000 2.432 212 V HA 0.560 4.680 4.120 -0.001 0.000 0.275 212 V C 0.364 176.607 176.094 0.249 0.000 1.043 212 V CA -0.705 61.660 62.300 0.109 0.000 0.925 212 V CB 1.266 33.107 31.823 0.029 0.000 0.985 212 V HN 0.372 nan 8.190 nan 0.000 0.466 213 F N 9.529 129.554 119.950 0.126 0.000 2.434 213 F HA 0.486 5.012 4.527 -0.001 0.000 0.358 213 F C -2.010 173.973 175.800 0.306 0.000 1.136 213 F CA -3.081 55.037 58.000 0.197 0.000 1.157 213 F CB 0.707 39.780 39.000 0.123 0.000 1.167 213 F HN 0.320 nan 8.300 nan 0.000 0.539 214 P HA 0.244 nan 4.420 nan 0.000 0.280 214 P C -1.236 175.877 177.300 -0.311 0.000 1.244 214 P CA -0.255 62.860 63.100 0.026 0.000 0.784 214 P CB 1.420 33.315 31.700 0.325 0.000 0.913 215 M N 2.099 121.574 119.600 -0.209 0.000 2.327 215 M HA 0.255 4.735 4.480 -0.001 0.000 0.298 215 M C -0.031 176.369 176.300 0.167 0.000 1.065 215 M CA -0.490 54.804 55.300 -0.011 0.000 0.916 215 M CB 2.776 35.315 32.600 -0.103 0.000 1.630 215 M HN 0.429 nan 8.290 nan 0.000 0.442 216 H N 2.496 121.737 119.070 0.286 0.000 2.908 216 H HA 0.682 5.238 4.556 -0.001 0.000 0.269 216 H C -1.258 174.015 175.328 -0.091 0.000 1.303 216 H CA -0.320 55.835 56.048 0.178 0.000 1.341 216 H CB 0.259 30.285 29.762 0.440 0.000 1.519 216 H HN 0.840 nan 8.280 nan 0.000 0.505 217 A N 3.008 125.689 122.820 -0.231 0.000 2.566 217 A HA 0.420 4.740 4.320 -0.001 0.000 0.290 217 A C -0.889 176.574 177.584 -0.202 0.000 1.071 217 A CA -0.505 51.252 52.037 -0.466 0.000 0.658 217 A CB 1.112 19.407 19.000 -1.176 0.000 1.285 217 A HN 0.591 nan 8.150 nan 0.000 0.427 218 S N -0.198 115.390 115.700 -0.187 0.000 2.718 218 S HA 0.960 5.429 4.470 -0.001 0.000 0.300 218 S C -0.132 174.358 174.600 -0.183 0.000 1.117 218 S CA -0.011 58.143 58.200 -0.077 0.000 1.002 218 S CB 1.769 64.922 63.200 -0.078 0.000 1.092 218 S HN 2.485 nan 8.310 nan 0.000 0.542 219 A N 1.308 123.989 122.820 -0.231 0.000 2.589 219 A HA 0.762 5.082 4.320 -0.001 0.000 0.296 219 A C -1.152 176.387 177.584 -0.076 0.000 1.062 219 A CA -0.960 50.954 52.037 -0.206 0.000 0.686 219 A CB 1.137 19.781 19.000 -0.593 0.000 1.282 219 A HN 1.167 nan 8.150 nan 0.000 0.404 220 N N -0.563 118.153 118.700 0.026 0.000 2.774 220 N HA 0.743 5.483 4.740 -0.001 0.000 0.264 220 N C -1.604 173.917 175.510 0.018 0.000 1.415 220 N CA -0.671 52.392 53.050 0.022 0.000 0.815 220 N CB 1.876 40.384 38.487 0.034 0.000 1.514 220 N HN 1.188 nan 8.380 nan 0.000 0.523 221 V N -0.957 118.964 119.914 0.011 0.000 2.841 221 V HA 0.871 4.991 4.120 -0.001 0.000 0.310 221 V C 0.282 176.384 176.094 0.013 0.000 1.090 221 V CA -0.384 61.919 62.300 0.005 0.000 0.930 221 V CB 1.319 33.137 31.823 -0.009 0.000 1.014 221 V HN 1.028 nan 8.190 nan 0.000 0.425 222 G N 3.615 112.425 108.800 0.017 0.000 2.562 222 G HA2 0.332 4.291 3.960 -0.001 0.000 0.275 222 G HA3 0.332 4.291 3.960 -0.001 0.000 0.275 222 G C 0.497 175.403 174.900 0.010 0.000 1.196 222 G CA -0.451 44.658 45.100 0.016 0.000 0.908 222 G HN 0.758 nan 8.290 nan 0.000 0.524 223 K N 0.046 120.451 120.400 0.008 0.000 2.160 223 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 223 K C 1.827 178.433 176.600 0.009 0.000 1.047 223 K CA 1.071 57.362 56.287 0.006 0.000 0.930 223 K CB 0.049 32.552 32.500 0.004 0.000 0.720 223 K HN 0.506 nan 8.250 nan 0.000 0.450 224 E N -0.462 119.745 120.200 0.012 0.000 2.502 224 E HA 0.011 4.360 4.350 -0.001 0.000 0.194 224 E C 1.016 177.625 176.600 0.015 0.000 1.062 224 E CA 0.594 57.003 56.400 0.014 0.000 0.867 224 E CB 0.123 29.834 29.700 0.017 0.000 0.888 224 E HN 0.497 nan 8.360 nan 0.000 0.510 225 G N 2.787 111.594 108.800 0.012 0.000 2.141 225 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.242 225 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.242 225 G C -0.208 174.695 174.900 0.005 0.000 0.982 225 G CA 0.233 45.338 45.100 0.008 0.000 0.662 225 G HN 0.385 nan 8.290 nan 0.000 0.527 226 D N 0.715 121.120 120.400 0.009 0.000 2.317 226 D HA 0.411 5.051 4.640 -0.001 0.000 0.252 226 D C 0.423 176.718 176.300 -0.008 0.000 1.174 226 D CA -0.448 53.556 54.000 0.006 0.000 0.866 226 D CB 2.127 42.939 40.800 0.019 0.000 1.127 226 D HN 0.103 nan 8.370 nan 0.000 0.467 227 V N 1.282 121.171 119.914 -0.042 0.000 2.607 227 V HA 0.570 4.689 4.120 -0.001 0.000 0.289 227 V C 0.509 176.552 176.094 -0.084 0.000 1.053 227 V CA -0.616 61.637 62.300 -0.078 0.000 0.996 227 V CB 1.155 32.886 31.823 -0.154 0.000 0.995 227 V HN 0.880 nan 8.190 nan 0.000 0.476 228 A N 4.406 127.194 122.820 -0.053 0.000 2.371 228 A HA 0.846 5.166 4.320 -0.001 0.000 0.311 228 A C -1.068 176.431 177.584 -0.142 0.000 1.068 228 A CA -0.513 51.484 52.037 -0.067 0.000 0.744 228 A CB 1.760 20.820 19.000 0.100 0.000 1.239 228 A HN 0.616 nan 8.150 nan 0.000 0.435 229 V N 2.099 121.841 119.914 -0.288 0.000 2.540 229 V HA 0.583 4.702 4.120 -0.001 0.000 0.302 229 V C -1.304 174.631 176.094 -0.266 0.000 1.035 229 V CA -0.323 61.835 62.300 -0.236 0.000 0.873 229 V CB 1.240 32.933 31.823 -0.217 0.000 0.992 229 V HN 0.700 nan 8.190 nan 0.000 0.428 230 F N 4.288 124.186 119.950 -0.086 0.000 2.449 230 F HA 0.682 5.209 4.527 -0.001 0.000 0.342 230 F C -0.403 175.281 175.800 -0.194 0.000 1.127 230 F CA -0.754 57.253 58.000 0.012 0.000 0.975 230 F CB 1.316 40.295 39.000 -0.034 0.000 1.146 230 F HN 0.260 nan 8.300 nan 0.000 0.444 231 F N 1.364 121.342 119.950 0.047 0.000 2.443 231 F HA 0.812 5.338 4.527 -0.001 0.000 0.335 231 F C 0.450 175.941 175.800 -0.515 0.000 1.104 231 F CA -1.024 56.745 58.000 -0.384 0.000 1.013 231 F CB 2.194 40.684 39.000 -0.850 0.000 1.136 231 F HN 0.582 nan 8.300 nan 0.000 0.470 232 G N 3.166 111.797 108.800 -0.281 0.000 2.387 232 G HA2 0.368 4.328 3.960 -0.001 0.000 0.309 232 G HA3 0.368 4.328 3.960 -0.001 0.000 0.309 232 G C -1.467 173.484 174.900 0.086 0.000 1.641 232 G CA -1.037 44.050 45.100 -0.022 0.000 0.904 232 G HN 0.597 nan 8.290 nan 0.000 0.661 233 L N 1.229 122.580 121.223 0.212 0.000 2.476 233 L HA 0.414 4.753 4.340 -0.001 0.000 0.255 233 L C 1.614 178.531 176.870 0.080 0.000 1.218 233 L CA -0.566 54.367 54.840 0.153 0.000 0.819 233 L CB 0.634 42.781 42.059 0.148 0.000 1.119 233 L HN 0.792 nan 8.230 nan 0.000 0.485 234 S N -0.184 115.561 115.700 0.075 0.000 2.558 234 S HA 0.271 4.740 4.470 -0.001 0.000 0.288 234 S C 1.021 175.645 174.600 0.040 0.000 1.318 234 S CA -0.147 58.083 58.200 0.050 0.000 1.056 234 S CB 0.832 64.068 63.200 0.061 0.000 0.853 234 S HN 1.100 nan 8.310 nan 0.000 0.505 235 G N 1.855 110.671 108.800 0.027 0.000 2.176 235 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.253 235 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.253 235 G C 0.658 175.570 174.900 0.020 0.000 0.979 235 G CA 0.766 45.883 45.100 0.027 0.000 0.641 235 G HN 1.692 nan 8.290 nan 0.000 0.530 236 T N -2.103 112.463 114.554 0.020 0.000 3.086 236 T HA 0.460 4.810 4.350 -0.001 0.000 0.250 236 T C 2.176 176.876 174.700 -0.000 0.000 1.074 236 T CA 1.458 63.571 62.100 0.022 0.000 0.988 236 T CB 0.519 69.422 68.868 0.059 0.000 0.988 236 T HN 2.172 nan 8.240 nan 0.000 0.530 237 G N 1.864 110.651 108.800 -0.022 0.000 2.141 237 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.231 237 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.231 237 G C 0.643 175.493 174.900 -0.083 0.000 0.984 237 G CA 0.527 45.596 45.100 -0.052 0.000 0.660 237 G HN 0.636 nan 8.290 nan 0.000 0.525 238 K N -0.070 120.289 120.400 -0.067 0.000 2.032 238 K HA -0.120 4.200 4.320 -0.001 0.000 0.209 238 K C 2.549 179.020 176.600 -0.215 0.000 1.048 238 K CA 2.354 58.574 56.287 -0.112 0.000 0.927 238 K CB -0.363 32.092 32.500 -0.075 0.000 0.712 238 K HN 0.351 nan 8.250 nan 0.000 0.441 239 T N 0.156 114.618 114.554 -0.153 0.000 2.708 239 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 239 T C 1.830 176.415 174.700 -0.191 0.000 1.037 239 T CA 1.925 63.931 62.100 -0.157 0.000 1.146 239 T CB -0.496 68.318 68.868 -0.091 0.000 0.865 239 T HN 0.365 nan 8.240 nan 0.000 0.435 240 T N 2.412 116.871 114.554 -0.159 0.000 2.708 240 T HA 0.060 4.410 4.350 -0.001 0.000 0.266 240 T C 1.974 176.538 174.700 -0.226 0.000 1.037 240 T CA 0.879 62.887 62.100 -0.153 0.000 1.146 240 T CB -0.436 68.369 68.868 -0.105 0.000 0.865 240 T HN 0.235 nan 8.240 nan 0.000 0.435 241 L N 1.527 122.574 121.223 -0.292 0.000 2.201 241 L HA -0.033 4.306 4.340 -0.001 0.000 0.212 241 L C 2.735 179.162 176.870 -0.738 0.000 1.105 241 L CA 1.171 55.772 54.840 -0.398 0.000 0.775 241 L CB -0.563 41.304 42.059 -0.319 0.000 0.913 241 L HN 0.373 nan 8.230 nan 0.000 0.440 242 S N -2.121 113.059 115.700 -0.867 0.000 2.527 242 S HA -0.022 4.448 4.470 -0.001 0.000 0.222 242 S C 0.939 175.277 174.600 -0.437 0.000 0.985 242 S CA -0.041 57.578 58.200 -0.969 0.000 0.921 242 S CB -0.356 62.390 63.200 -0.757 0.000 0.772 242 S HN 0.223 nan 8.310 nan 0.000 0.529 243 T N 3.195 117.561 114.554 -0.313 0.000 2.728 243 T HA 0.475 4.825 4.350 -0.001 0.000 0.296 243 T C -1.104 173.507 174.700 -0.149 0.000 0.940 243 T CA -0.411 61.578 62.100 -0.184 0.000 1.013 243 T CB 0.992 69.774 68.868 -0.142 0.000 0.912 243 T HN 0.327 nan 8.240 nan 0.000 0.484 244 D N 3.759 124.094 120.400 -0.109 0.000 2.891 244 D HA 0.276 4.916 4.640 -0.001 0.000 0.224 244 D C -2.222 174.044 176.300 -0.057 0.000 1.321 244 D CA -2.054 51.898 54.000 -0.080 0.000 0.929 244 D CB 2.530 43.289 40.800 -0.069 0.000 1.551 244 D HN 0.043 nan 8.370 nan 0.000 0.574 245 P HA -0.096 nan 4.420 nan 0.000 0.217 245 P C 0.685 177.966 177.300 -0.032 0.000 1.148 245 P CA 0.996 64.071 63.100 -0.042 0.000 0.828 245 P CB 0.465 32.140 31.700 -0.043 0.000 0.783 246 E N -1.151 119.032 120.200 -0.029 0.000 2.479 246 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 246 E C 0.369 176.962 176.600 -0.012 0.000 1.049 246 E CA 0.279 56.668 56.400 -0.019 0.000 0.870 246 E CB 0.180 29.870 29.700 -0.016 0.000 0.944 246 E HN 0.354 nan 8.360 nan 0.000 0.492 247 R N 1.251 121.741 120.500 -0.016 0.000 2.415 247 R HA 0.300 4.639 4.340 -0.001 0.000 0.292 247 R C -2.655 173.638 176.300 -0.012 0.000 1.295 247 R CA -1.928 54.168 56.100 -0.006 0.000 1.137 247 R CB 1.285 31.589 30.300 0.007 0.000 1.135 247 R HN -0.150 nan 8.270 nan 0.000 0.560 248 P HA -0.139 nan 4.420 nan 0.000 0.263 248 P C -0.577 176.720 177.300 -0.005 0.000 1.175 248 P CA -0.047 63.049 63.100 -0.007 0.000 0.761 248 P CB 0.516 32.215 31.700 -0.002 0.000 0.794 249 L N 4.733 125.952 121.223 -0.007 0.000 2.331 249 L HA 0.190 4.529 4.340 -0.001 0.000 0.278 249 L C 0.963 177.847 176.870 0.024 0.000 1.106 249 L CA 0.401 55.239 54.840 -0.003 0.000 0.824 249 L CB 0.233 42.285 42.059 -0.010 0.000 1.142 249 L HN 0.387 nan 8.230 nan 0.000 0.443 250 I N 3.029 123.624 120.570 0.041 0.000 2.429 250 I HA 0.267 4.436 4.170 -0.001 0.000 0.247 250 I C 1.055 177.283 176.117 0.185 0.000 1.099 250 I CA 0.657 62.016 61.300 0.098 0.000 1.422 250 I CB -0.172 37.874 38.000 0.076 0.000 1.112 250 I HN 0.729 nan 8.210 nan 0.000 0.430 251 G N 0.225 109.189 108.800 0.272 0.000 2.601 251 G HA2 0.239 4.198 3.960 -0.001 0.000 0.291 251 G HA3 0.239 4.198 3.960 -0.001 0.000 0.291 251 G C -0.966 174.031 174.900 0.162 0.000 1.456 251 G CA -0.073 45.132 45.100 0.175 0.000 0.804 251 G HN 0.123 nan 8.290 nan 0.000 0.499 252 D N -1.372 119.035 120.400 0.013 0.000 2.407 252 D HA 0.155 4.795 4.640 -0.001 0.000 0.208 252 D C 0.556 176.824 176.300 -0.053 0.000 1.083 252 D CA 0.514 54.502 54.000 -0.021 0.000 0.844 252 D CB 1.305 42.072 40.800 -0.054 0.000 0.967 252 D HN 0.341 nan 8.370 nan 0.000 0.506 253 D N -0.465 119.873 120.400 -0.103 0.000 2.135 253 D HA 0.095 4.735 4.640 -0.001 0.000 0.318 253 D C -0.623 175.531 176.300 -0.243 0.000 1.109 253 D CA 0.266 54.177 54.000 -0.149 0.000 0.952 253 D CB 0.911 41.616 40.800 -0.158 0.000 1.816 253 D HN 0.057 nan 8.370 nan 0.000 0.528 254 E N -0.289 119.626 120.200 -0.474 0.000 2.241 254 E HA 0.500 4.850 4.350 -0.001 0.000 0.263 254 E C -1.248 174.726 176.600 -1.042 0.000 0.882 254 E CA -0.549 55.445 56.400 -0.677 0.000 0.769 254 E CB 2.031 31.308 29.700 -0.705 0.000 1.185 254 E HN 0.185 nan 8.360 nan 0.000 0.415 255 H N 0.149 118.640 119.070 -0.965 0.000 2.946 255 H HA 0.686 5.242 4.556 -0.001 0.000 0.365 255 H C -0.316 174.202 175.328 -1.349 0.000 1.197 255 H CA -0.917 54.489 56.048 -1.070 0.000 1.131 255 H CB 2.154 31.575 29.762 -0.568 0.000 1.849 255 H HN 0.555 nan 8.280 nan 0.000 0.555 256 G N -0.064 108.085 108.800 -1.085 0.000 2.495 256 G HA2 0.336 4.295 3.960 -0.001 0.000 0.318 256 G HA3 0.336 4.295 3.960 -0.001 0.000 0.318 256 G C -1.749 172.983 174.900 -0.279 0.000 1.257 256 G CA -0.561 44.140 45.100 -0.666 0.000 0.962 256 G HN 0.465 nan 8.290 nan 0.000 0.483 257 W N 4.179 125.434 121.300 -0.076 0.000 2.322 257 W HA 0.581 5.240 4.660 -0.001 0.000 0.321 257 W C 0.492 177.121 176.519 0.184 0.000 0.991 257 W CA -1.707 55.705 57.345 0.112 0.000 1.448 257 W CB 0.952 30.582 29.460 0.283 0.000 1.239 257 W HN 0.645 nan 8.180 nan 0.000 0.399 258 S N 2.413 118.440 115.700 0.544 0.000 2.647 258 S HA 0.276 4.746 4.470 -0.001 0.000 0.284 258 S C 1.045 175.889 174.600 0.407 0.000 1.134 258 S CA 0.079 58.467 58.200 0.314 0.000 1.027 258 S CB 1.034 64.338 63.200 0.174 0.000 1.180 258 S HN 0.543 nan 8.310 nan 0.000 0.521 259 E N -0.086 120.326 120.200 0.353 0.000 2.347 259 E HA -0.090 4.259 4.350 -0.001 0.000 0.196 259 E C 0.204 177.095 176.600 0.484 0.000 1.008 259 E CA 0.964 57.612 56.400 0.413 0.000 0.852 259 E CB -0.324 29.553 29.700 0.296 0.000 0.783 259 E HN 0.601 nan 8.360 nan 0.000 0.505 260 D N 0.454 121.043 120.400 0.315 0.000 2.366 260 D HA 0.186 4.826 4.640 -0.001 0.000 0.205 260 D C 1.003 177.153 176.300 -0.249 0.000 1.022 260 D CA 1.016 55.096 54.000 0.133 0.000 0.868 260 D CB 1.296 42.191 40.800 0.158 0.000 0.953 260 D HN 0.349 nan 8.370 nan 0.000 0.514 261 G N 0.276 108.942 108.800 -0.224 0.000 2.366 261 G HA2 0.156 4.115 3.960 -0.001 0.000 0.190 261 G HA3 0.156 4.115 3.960 -0.001 0.000 0.190 261 G C -1.334 173.573 174.900 0.013 0.000 1.299 261 G CA -0.223 44.640 45.100 -0.395 0.000 1.056 261 G HN 0.255 nan 8.290 nan 0.000 0.468 262 V N -1.005 118.871 119.914 -0.063 0.000 2.581 262 V HA 0.965 5.085 4.120 -0.001 0.000 0.303 262 V C -0.432 175.787 176.094 0.209 0.000 1.041 262 V CA -0.634 61.659 62.300 -0.012 0.000 0.907 262 V CB 0.974 32.655 31.823 -0.237 0.000 0.994 262 V HN 1.840 nan 8.190 nan 0.000 0.442 263 F N 1.295 121.329 119.950 0.140 0.000 2.591 263 F HA 0.671 5.197 4.527 -0.001 0.000 0.309 263 F C -0.735 175.191 175.800 0.210 0.000 1.098 263 F CA -1.157 56.959 58.000 0.192 0.000 0.937 263 F CB 1.509 40.644 39.000 0.224 0.000 1.250 263 F HN 0.582 nan 8.300 nan 0.000 0.447 264 N N 2.146 121.008 118.700 0.270 0.000 2.513 264 N HA 0.143 4.882 4.740 -0.001 0.000 0.268 264 N C 0.315 175.967 175.510 0.237 0.000 1.180 264 N CA -0.403 52.591 53.050 -0.093 0.000 0.948 264 N CB 0.358 38.814 38.487 -0.052 0.000 1.083 264 N HN 0.632 nan 8.380 nan 0.000 0.455 265 F N 1.279 121.154 119.950 -0.125 0.000 2.367 265 F HA 0.128 4.654 4.527 -0.001 0.000 0.298 265 F C 0.962 176.843 175.800 0.136 0.000 1.094 265 F CA 0.477 58.533 58.000 0.093 0.000 1.409 265 F CB -0.233 38.796 39.000 0.048 0.000 1.064 265 F HN 0.476 nan 8.300 nan 0.000 0.528 266 E N -1.588 118.717 120.200 0.176 0.000 2.259 266 E HA 0.557 4.906 4.350 -0.001 0.000 0.257 266 E C 0.565 177.180 176.600 0.026 0.000 0.998 266 E CA -0.319 56.124 56.400 0.072 0.000 0.866 266 E CB 1.151 30.770 29.700 -0.136 0.000 1.220 266 E HN 0.008 nan 8.360 nan 0.000 0.415 267 G N -0.128 108.649 108.800 -0.038 0.000 3.969 267 G HA2 0.489 4.449 3.960 -0.001 0.000 0.291 267 G HA3 0.489 4.449 3.960 -0.001 0.000 0.291 267 G C -0.012 174.811 174.900 -0.128 0.000 1.016 267 G CA 0.273 45.350 45.100 -0.040 0.000 0.819 267 G HN 0.541 nan 8.290 nan 0.000 0.493 268 G N -1.276 107.394 108.800 -0.216 0.000 2.682 268 G HA2 0.473 4.433 3.960 -0.001 0.000 0.303 268 G HA3 0.473 4.433 3.960 -0.001 0.000 0.303 268 G C -1.627 173.075 174.900 -0.330 0.000 1.341 268 G CA -0.432 44.498 45.100 -0.283 0.000 0.784 268 G HN 0.306 nan 8.290 nan 0.000 0.497 269 C N -1.170 117.842 119.300 -0.481 0.000 2.802 269 C HA 0.706 5.165 4.460 -0.001 0.000 0.307 269 C C -1.365 173.335 174.990 -0.482 0.000 1.222 269 C CA -0.591 58.131 59.018 -0.494 0.000 1.580 269 C CB 1.403 28.805 27.740 -0.564 0.000 2.119 269 C HN 0.647 nan 8.230 nan 0.000 0.479 270 Y N 2.091 122.159 120.300 -0.386 0.000 2.705 270 Y HA 0.606 5.156 4.550 -0.001 0.000 0.355 270 Y C 0.150 175.976 175.900 -0.124 0.000 1.039 270 Y CA -0.662 57.312 58.100 -0.211 0.000 1.233 270 Y CB 0.090 38.497 38.460 -0.087 0.000 1.103 270 Y HN 0.868 nan 8.280 nan 0.000 0.624 271 A N 4.196 126.910 122.820 -0.176 0.000 2.302 271 A HA 0.538 4.857 4.320 -0.001 0.000 0.285 271 A C -0.343 177.169 177.584 -0.119 0.000 1.105 271 A CA -0.807 51.169 52.037 -0.102 0.000 0.816 271 A CB 0.563 19.583 19.000 0.032 0.000 1.067 271 A HN 0.629 nan 8.150 nan 0.000 0.489 272 K N 0.802 121.161 120.400 -0.068 0.000 2.297 272 K HA 0.346 4.665 4.320 -0.001 0.000 0.286 272 K C 0.316 176.939 176.600 0.037 0.000 1.053 272 K CA -0.147 56.120 56.287 -0.034 0.000 0.940 272 K CB 1.120 33.613 32.500 -0.013 0.000 1.019 272 K HN 0.560 nan 8.250 nan 0.000 0.475 273 V N 0.850 120.820 119.914 0.094 0.000 3.176 273 V HA 0.202 4.322 4.120 -0.001 0.000 0.332 273 V C 0.310 176.552 176.094 0.247 0.000 1.414 273 V CA -0.625 61.790 62.300 0.191 0.000 1.133 273 V CB -0.308 31.731 31.823 0.359 0.000 1.088 273 V HN 0.570 nan 8.190 nan 0.000 0.473 274 I N 2.312 122.973 120.570 0.153 0.000 2.618 274 I HA 0.344 4.513 4.170 -0.001 0.000 0.284 274 I C 1.347 177.546 176.117 0.137 0.000 1.146 274 I CA 0.597 61.983 61.300 0.144 0.000 1.425 274 I CB -0.512 37.536 38.000 0.081 0.000 1.383 274 I HN 0.538 nan 8.210 nan 0.000 0.562 275 R N 2.946 123.552 120.500 0.176 0.000 3.770 275 R HA -0.211 4.129 4.340 -0.001 0.000 0.305 275 R C -0.251 176.110 176.300 0.101 0.000 1.184 275 R CA 0.327 56.506 56.100 0.131 0.000 0.823 275 R CB -2.094 28.236 30.300 0.050 0.000 1.285 275 R HN 0.524 nan 8.270 nan 0.000 0.499 276 L N 1.086 122.397 121.223 0.147 0.000 2.483 276 L HA 0.213 4.553 4.340 -0.001 0.000 0.276 276 L C 0.482 177.285 176.870 -0.112 0.000 1.213 276 L CA 1.218 56.046 54.840 -0.021 0.000 0.843 276 L CB 1.164 43.114 42.059 -0.183 0.000 1.107 276 L HN 0.268 nan 8.230 nan 0.000 0.487 277 S N 2.716 118.325 115.700 -0.150 0.000 2.537 277 S HA 0.580 5.050 4.470 -0.001 0.000 0.270 277 S C -2.414 171.914 174.600 -0.453 0.000 1.142 277 S CA -0.995 57.028 58.200 -0.295 0.000 0.870 277 S CB 1.767 64.916 63.200 -0.084 0.000 1.112 277 S HN 0.420 nan 8.310 nan 0.000 0.466 278 P HA -0.033 nan 4.420 nan 0.000 0.218 278 P C 0.890 177.995 177.300 -0.325 0.000 1.149 278 P CA 1.227 63.907 63.100 -0.700 0.000 0.817 278 P CB 0.098 31.346 31.700 -0.754 0.000 0.785 279 E N -1.474 118.569 120.200 -0.262 0.000 2.028 279 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 279 E C 1.834 178.237 176.600 -0.328 0.000 0.988 279 E CA 1.446 57.689 56.400 -0.261 0.000 0.799 279 E CB -0.826 28.724 29.700 -0.251 0.000 0.755 279 E HN 0.472 nan 8.360 nan 0.000 0.447 280 H N -0.717 118.273 119.070 -0.134 0.000 2.486 280 H HA 0.222 4.777 4.556 -0.001 0.000 0.287 280 H C 0.187 175.457 175.328 -0.096 0.000 1.010 280 H CA 0.754 56.742 56.048 -0.101 0.000 1.324 280 H CB 0.438 30.150 29.762 -0.082 0.000 1.446 280 H HN -0.032 nan 8.280 nan 0.000 0.537 281 E N 0.862 121.062 120.200 -0.001 0.000 3.786 281 E HA 0.108 4.457 4.350 -0.001 0.000 0.215 281 E C -1.855 174.722 176.600 -0.039 0.000 1.188 281 E CA -1.356 55.031 56.400 -0.022 0.000 1.248 281 E CB 1.086 30.780 29.700 -0.009 0.000 1.260 281 E HN 0.260 nan 8.360 nan 0.000 0.426 282 P HA -0.238 nan 4.420 nan 0.000 0.216 282 P C 1.144 178.426 177.300 -0.030 0.000 1.153 282 P CA 1.260 64.323 63.100 -0.063 0.000 0.858 282 P CB 0.422 32.069 31.700 -0.087 0.000 0.789 283 L N -1.159 120.037 121.223 -0.045 0.000 2.027 283 L HA -0.092 4.247 4.340 -0.001 0.000 0.206 283 L C 2.930 179.751 176.870 -0.082 0.000 1.074 283 L CA 1.282 56.088 54.840 -0.057 0.000 0.745 283 L CB -0.855 41.176 42.059 -0.047 0.000 0.898 283 L HN -0.137 nan 8.230 nan 0.000 0.433 284 I N -1.226 119.315 120.570 -0.048 0.000 2.315 284 I HA -0.320 3.849 4.170 -0.001 0.000 0.248 284 I C 2.608 178.640 176.117 -0.143 0.000 1.117 284 I CA 1.403 62.669 61.300 -0.056 0.000 1.404 284 I CB -0.342 37.680 38.000 0.037 0.000 1.071 284 I HN 0.164 nan 8.210 nan 0.000 0.419 285 Y N 1.931 122.090 120.300 -0.234 0.000 2.145 285 Y HA -0.311 4.239 4.550 -0.001 0.000 0.286 285 Y C 2.675 178.429 175.900 -0.245 0.000 1.145 285 Y CA 1.946 59.854 58.100 -0.319 0.000 1.148 285 Y CB -0.114 38.152 38.460 -0.324 0.000 0.981 285 Y HN -0.026 nan 8.280 nan 0.000 0.507 286 K N -0.086 120.279 120.400 -0.058 0.000 2.057 286 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 286 K C 2.175 178.622 176.600 -0.254 0.000 1.049 286 K CA 1.244 57.457 56.287 -0.123 0.000 0.931 286 K CB -0.384 32.064 32.500 -0.086 0.000 0.714 286 K HN 0.365 nan 8.250 nan 0.000 0.440 287 A N 0.160 122.775 122.820 -0.342 0.000 2.015 287 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 287 A C 1.954 179.235 177.584 -0.505 0.000 1.163 287 A CA 1.696 53.419 52.037 -0.523 0.000 0.646 287 A CB -0.238 18.185 19.000 -0.961 0.000 0.806 287 A HN 0.322 nan 8.150 nan 0.000 0.448 288 S N 0.233 115.684 115.700 -0.415 0.000 2.527 288 S HA 0.037 4.506 4.470 -0.001 0.000 0.222 288 S C 0.795 175.361 174.600 -0.057 0.000 0.985 288 S CA -0.026 58.095 58.200 -0.132 0.000 0.921 288 S CB -0.102 63.069 63.200 -0.049 0.000 0.772 288 S HN 0.580 nan 8.310 nan 0.000 0.529 289 N N 2.952 121.541 118.700 -0.185 0.000 2.839 289 N HA 0.163 4.903 4.740 -0.001 0.000 0.314 289 N C -0.489 174.971 175.510 -0.084 0.000 1.449 289 N CA -0.001 52.987 53.050 -0.104 0.000 1.050 289 N CB 0.461 38.817 38.487 -0.219 0.000 1.364 289 N HN 0.640 nan 8.380 nan 0.000 0.512 290 Q N -1.068 118.709 119.800 -0.038 0.000 2.575 290 Q HA 0.317 4.656 4.340 -0.001 0.000 0.290 290 Q C -0.964 175.100 176.000 0.105 0.000 0.963 290 Q CA -0.843 54.937 55.803 -0.038 0.000 0.783 290 Q CB 1.127 29.723 28.738 -0.238 0.000 1.467 290 Q HN 0.017 nan 8.270 nan 0.000 0.402 291 F N 1.579 121.520 119.950 -0.016 0.000 2.629 291 F HA -0.058 4.468 4.527 -0.001 0.000 0.369 291 F C 0.663 176.565 175.800 0.170 0.000 1.125 291 F CA 2.077 60.108 58.000 0.051 0.000 1.330 291 F CB 0.357 39.369 39.000 0.020 0.000 1.071 291 F HN 0.988 nan 8.300 nan 0.000 0.595 292 E N 0.307 120.151 120.200 -0.592 0.000 4.252 292 E HA -0.212 4.138 4.350 -0.001 0.000 0.373 292 E C -0.032 176.486 176.600 -0.136 0.000 0.570 292 E CA 0.493 56.679 56.400 -0.356 0.000 1.570 292 E CB -1.434 28.236 29.700 -0.049 0.000 1.887 292 E HN 0.698 nan 8.360 nan 0.000 0.407 293 A N 1.308 124.148 122.820 0.034 0.000 2.407 293 A HA 0.543 4.862 4.320 -0.001 0.000 0.248 293 A C 0.114 177.708 177.584 0.017 0.000 1.082 293 A CA 0.267 52.359 52.037 0.091 0.000 0.785 293 A CB 0.208 19.319 19.000 0.185 0.000 1.020 293 A HN 0.231 nan 8.150 nan 0.000 0.489 294 I N 2.220 122.822 120.570 0.053 0.000 2.418 294 I HA 0.256 4.425 4.170 -0.001 0.000 0.287 294 I C -0.776 175.349 176.117 0.014 0.000 1.008 294 I CA -0.174 61.119 61.300 -0.011 0.000 1.104 294 I CB 1.589 39.606 38.000 0.029 0.000 1.264 294 I HN 0.454 nan 8.210 nan 0.000 0.438 295 L N 6.314 127.499 121.223 -0.063 0.000 2.262 295 L HA 0.420 4.759 4.340 -0.001 0.000 0.288 295 L C 0.116 176.907 176.870 -0.132 0.000 1.035 295 L CA -0.336 54.476 54.840 -0.047 0.000 0.820 295 L CB 1.094 43.103 42.059 -0.082 0.000 1.204 295 L HN 0.623 nan 8.230 nan 0.000 0.424 296 E N 4.950 125.109 120.200 -0.069 0.000 2.130 296 E HA 0.121 4.471 4.350 -0.001 0.000 0.284 296 E C -0.099 176.486 176.600 -0.024 0.000 1.018 296 E CA -0.234 56.120 56.400 -0.076 0.000 0.817 296 E CB 0.387 30.117 29.700 0.051 0.000 1.078 296 E HN 0.569 nan 8.360 nan 0.000 0.396 297 N N 1.417 120.083 118.700 -0.057 0.000 2.800 297 N HA -0.170 4.569 4.740 -0.001 0.000 0.250 297 N C -0.091 175.384 175.510 -0.058 0.000 1.078 297 N CA 1.052 54.084 53.050 -0.031 0.000 0.804 297 N CB -1.854 36.651 38.487 0.029 0.000 1.135 297 N HN 0.383 nan 8.380 nan 0.000 0.565 298 V N -2.413 117.436 119.914 -0.108 0.000 2.953 298 V HA 0.562 4.681 4.120 -0.001 0.000 0.304 298 V C 1.153 177.149 176.094 -0.163 0.000 1.073 298 V CA -0.715 61.491 62.300 -0.157 0.000 1.064 298 V CB 1.754 33.406 31.823 -0.286 0.000 1.047 298 V HN -0.058 nan 8.190 nan 0.000 0.478 299 V N 3.595 123.411 119.914 -0.164 0.000 2.498 299 V HA 0.465 4.584 4.120 -0.001 0.000 0.279 299 V C 0.101 176.083 176.094 -0.188 0.000 1.048 299 V CA -0.152 62.064 62.300 -0.141 0.000 0.967 299 V CB 1.301 33.063 31.823 -0.100 0.000 0.988 299 V HN 0.782 nan 8.190 nan 0.000 0.473 300 V N 4.201 124.026 119.914 -0.149 0.000 2.638 300 V HA 0.358 4.477 4.120 -0.001 0.000 0.306 300 V C 0.082 176.117 176.094 -0.099 0.000 1.052 300 V CA -1.010 61.200 62.300 -0.149 0.000 0.885 300 V CB 2.040 33.774 31.823 -0.148 0.000 0.999 300 V HN 0.884 nan 8.190 nan 0.000 0.424 301 N N 6.977 125.624 118.700 -0.090 0.000 2.434 301 N HA 0.082 4.821 4.740 -0.001 0.000 0.268 301 N C -1.372 174.105 175.510 -0.054 0.000 1.256 301 N CA -1.228 51.784 53.050 -0.064 0.000 0.914 301 N CB 1.724 40.175 38.487 -0.059 0.000 1.088 301 N HN 0.343 nan 8.380 nan 0.000 0.478 302 P HA -0.109 nan 4.420 nan 0.000 0.220 302 P C 0.802 178.085 177.300 -0.028 0.000 1.148 302 P CA 1.125 64.204 63.100 -0.035 0.000 0.803 302 P CB 0.526 32.209 31.700 -0.028 0.000 0.782 303 E N 0.298 120.480 120.200 -0.029 0.000 2.057 303 E HA -0.067 4.282 4.350 -0.001 0.000 0.190 303 E C 2.025 178.608 176.600 -0.029 0.000 0.969 303 E CA 1.132 57.517 56.400 -0.025 0.000 0.812 303 E CB 0.020 29.706 29.700 -0.024 0.000 0.777 303 E HN 0.194 nan 8.360 nan 0.000 0.455 304 S N -0.282 115.394 115.700 -0.040 0.000 2.496 304 S HA 0.032 4.502 4.470 -0.001 0.000 0.224 304 S C 0.902 175.470 174.600 -0.053 0.000 0.996 304 S CA 0.050 58.218 58.200 -0.054 0.000 0.927 304 S CB 0.200 63.358 63.200 -0.071 0.000 0.774 304 S HN 0.192 nan 8.310 nan 0.000 0.524 305 R N 0.599 121.073 120.500 -0.043 0.000 3.875 305 R HA -0.077 4.263 4.340 -0.001 0.000 0.321 305 R C -0.934 175.347 176.300 -0.031 0.000 1.196 305 R CA 0.609 56.691 56.100 -0.031 0.000 0.868 305 R CB -2.124 28.177 30.300 0.002 0.000 1.333 305 R HN 0.502 nan 8.270 nan 0.000 0.522 306 R N 0.389 120.849 120.500 -0.067 0.000 2.308 306 R HA 0.336 4.676 4.340 -0.001 0.000 0.305 306 R C 0.302 176.530 176.300 -0.120 0.000 1.053 306 R CA -0.621 55.438 56.100 -0.069 0.000 0.957 306 R CB 1.071 31.319 30.300 -0.088 0.000 1.022 306 R HN -0.136 nan 8.270 nan 0.000 0.461 307 V N 4.420 124.218 119.914 -0.193 0.000 2.555 307 V HA 0.015 4.134 4.120 -0.001 0.000 0.286 307 V C 0.640 176.428 176.094 -0.510 0.000 1.044 307 V CA -0.200 61.792 62.300 -0.513 0.000 1.026 307 V CB 1.143 32.316 31.823 -1.083 0.000 0.981 307 V HN 0.478 nan 8.190 nan 0.000 0.480 308 Q N 4.291 123.858 119.800 -0.388 0.000 2.571 308 Q HA 0.141 4.481 4.340 -0.001 0.000 0.222 308 Q C 0.450 176.342 176.000 -0.180 0.000 1.167 308 Q CA -0.094 55.599 55.803 -0.182 0.000 0.966 308 Q CB 0.412 29.089 28.738 -0.101 0.000 1.274 308 Q HN 0.867 nan 8.270 nan 0.000 0.552 309 W N 0.979 122.313 121.300 0.057 0.000 2.364 309 W HA -0.152 4.507 4.660 -0.001 0.000 0.281 309 W C 0.892 177.435 176.519 0.040 0.000 1.219 309 W CA 0.775 58.158 57.345 0.063 0.000 1.220 309 W CB 0.200 29.730 29.460 0.117 0.000 1.127 309 W HN 0.435 nan 8.180 nan 0.000 0.556 310 D N -0.898 119.628 120.400 0.210 0.000 2.348 310 D HA -0.069 4.571 4.640 -0.001 0.000 0.211 310 D C 0.107 176.447 176.300 0.067 0.000 0.998 310 D CA 0.881 54.956 54.000 0.125 0.000 0.873 310 D CB -0.397 40.460 40.800 0.095 0.000 0.925 310 D HN 0.026 nan 8.370 nan 0.000 0.524 311 D N 1.734 122.157 120.400 0.038 0.000 2.338 311 D HA -0.007 4.632 4.640 -0.001 0.000 0.255 311 D C 0.055 176.358 176.300 0.005 0.000 1.237 311 D CA -0.096 53.908 54.000 0.007 0.000 0.883 311 D CB 0.693 41.480 40.800 -0.022 0.000 1.087 311 D HN 0.018 nan 8.370 nan 0.000 0.485 312 D N 0.678 121.084 120.400 0.010 0.000 2.463 312 D HA -0.065 4.574 4.640 -0.001 0.000 0.224 312 D C 1.234 177.533 176.300 -0.001 0.000 1.174 312 D CA -0.218 53.787 54.000 0.009 0.000 0.829 312 D CB -0.160 40.650 40.800 0.017 0.000 0.993 312 D HN 0.172 nan 8.370 nan 0.000 0.497 313 S N -0.220 115.476 115.700 -0.007 0.000 2.442 313 S HA -0.172 4.298 4.470 -0.001 0.000 0.236 313 S C 1.711 176.302 174.600 -0.014 0.000 1.007 313 S CA 0.692 58.886 58.200 -0.011 0.000 0.965 313 S CB -0.110 63.082 63.200 -0.014 0.000 0.773 313 S HN 0.180 nan 8.310 nan 0.000 0.504 314 K N 0.014 120.404 120.400 -0.016 0.000 2.141 314 K HA 0.229 4.548 4.320 -0.001 0.000 0.202 314 K C 0.552 177.145 176.600 -0.012 0.000 1.045 314 K CA 0.958 57.236 56.287 -0.016 0.000 0.971 314 K CB 0.441 32.930 32.500 -0.018 0.000 0.795 314 K HN 0.363 nan 8.250 nan 0.000 0.459 315 T N -1.352 113.198 114.554 -0.006 0.000 2.831 315 T HA 0.082 4.432 4.350 -0.001 0.000 0.333 315 T C -0.779 173.925 174.700 0.007 0.000 1.684 315 T CA -0.658 61.440 62.100 -0.003 0.000 1.049 315 T CB 1.325 70.192 68.868 -0.002 0.000 1.518 315 T HN -0.061 nan 8.240 nan 0.000 0.491 316 E N 1.438 121.643 120.200 0.008 0.000 2.299 316 E HA 0.018 4.367 4.350 -0.001 0.000 0.193 316 E C 0.804 177.419 176.600 0.024 0.000 0.998 316 E CA 0.451 56.862 56.400 0.018 0.000 0.851 316 E CB 0.090 29.800 29.700 0.016 0.000 0.795 316 E HN 0.505 nan 8.360 nan 0.000 0.492 317 N N 1.619 120.329 118.700 0.018 0.000 2.843 317 N HA -0.037 4.703 4.740 -0.001 0.000 0.284 317 N C -0.883 174.653 175.510 0.042 0.000 1.274 317 N CA -0.012 53.054 53.050 0.026 0.000 1.045 317 N CB -0.160 38.334 38.487 0.012 0.000 1.370 317 N HN -0.081 nan 8.380 nan 0.000 0.525 318 T N -1.039 113.539 114.554 0.040 0.000 2.930 318 T HA 0.335 4.684 4.350 -0.001 0.000 0.306 318 T C 0.228 174.941 174.700 0.021 0.000 1.045 318 T CA -0.455 61.671 62.100 0.043 0.000 1.134 318 T CB 1.068 69.968 68.868 0.053 0.000 0.961 318 T HN 0.045 nan 8.240 nan 0.000 0.545 319 R N 1.325 121.825 120.500 -0.001 0.000 2.854 319 R HA 0.720 5.059 4.340 -0.001 0.000 0.271 319 R C -0.834 175.474 176.300 0.013 0.000 0.994 319 R CA -0.944 55.089 56.100 -0.112 0.000 0.945 319 R CB 1.899 31.947 30.300 -0.421 0.000 1.194 319 R HN 0.706 nan 8.270 nan 0.000 0.476 320 S N 0.064 115.779 115.700 0.025 0.000 2.605 320 S HA 0.351 4.820 4.470 -0.001 0.000 0.308 320 S C -0.996 173.685 174.600 0.136 0.000 1.113 320 S CA -0.409 57.895 58.200 0.173 0.000 1.049 320 S CB 1.009 64.392 63.200 0.305 0.000 1.001 320 S HN 0.521 nan 8.310 nan 0.000 0.480 321 S N 4.408 120.226 115.700 0.195 0.000 2.437 321 S HA 0.823 5.293 4.470 -0.001 0.000 0.305 321 S C -1.350 173.247 174.600 -0.005 0.000 1.109 321 S CA -0.466 57.784 58.200 0.082 0.000 1.099 321 S CB 0.243 63.626 63.200 0.303 0.000 1.004 321 S HN 0.775 nan 8.310 nan 0.000 0.475 322 Y N 1.764 121.982 120.300 -0.137 0.000 2.558 322 Y HA 0.658 5.208 4.550 -0.001 0.000 0.333 322 Y C -3.175 172.500 175.900 -0.375 0.000 1.125 322 Y CA -2.586 55.320 58.100 -0.324 0.000 1.039 322 Y CB 0.349 38.636 38.460 -0.289 0.000 1.331 322 Y HN 0.384 nan 8.280 nan 0.000 0.456 323 P HA 0.059 nan 4.420 nan 0.000 0.269 323 P C 0.795 178.074 177.300 -0.036 0.000 1.215 323 P CA -0.136 62.841 63.100 -0.205 0.000 0.780 323 P CB 1.744 33.329 31.700 -0.192 0.000 0.898 324 I N 2.664 123.223 120.570 -0.018 0.000 2.530 324 I HA -0.225 3.945 4.170 -0.001 0.000 0.257 324 I C 2.169 178.337 176.117 0.086 0.000 1.179 324 I CA 1.452 62.782 61.300 0.051 0.000 1.440 324 I CB -0.925 37.078 38.000 0.005 0.000 1.087 324 I HN 0.436 nan 8.210 nan 0.000 0.440 325 A N -1.118 121.749 122.820 0.078 0.000 2.125 325 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 325 A C 2.083 179.777 177.584 0.184 0.000 1.156 325 A CA 1.479 53.581 52.037 0.109 0.000 0.671 325 A CB -1.185 17.880 19.000 0.107 0.000 0.794 325 A HN 0.669 nan 8.150 nan 0.000 0.459 326 H N -1.394 117.686 119.070 0.017 0.000 2.547 326 H HA 0.203 4.758 4.556 -0.001 0.000 0.272 326 H C 0.015 175.282 175.328 -0.102 0.000 0.989 326 H CA -0.190 55.820 56.048 -0.063 0.000 1.214 326 H CB 0.100 29.778 29.762 -0.140 0.000 1.389 326 H HN 0.324 nan 8.280 nan 0.000 0.577 327 L N 0.747 122.020 121.223 0.084 0.000 2.343 327 L HA 0.055 4.395 4.340 -0.001 0.000 0.275 327 L C 1.266 178.142 176.870 0.010 0.000 1.056 327 L CA -0.315 54.540 54.840 0.024 0.000 0.804 327 L CB 1.807 43.906 42.059 0.066 0.000 1.203 327 L HN 0.117 nan 8.230 nan 0.000 0.440 328 E N 1.239 121.431 120.200 -0.014 0.000 2.065 328 E HA -0.056 4.294 4.350 -0.001 0.000 0.191 328 E C 0.439 177.033 176.600 -0.011 0.000 0.960 328 E CA 0.634 57.024 56.400 -0.016 0.000 0.824 328 E CB 0.176 29.858 29.700 -0.031 0.000 0.793 328 E HN 0.510 nan 8.360 nan 0.000 0.459 329 N N 1.222 119.913 118.700 -0.015 0.000 3.050 329 N HA 0.049 4.788 4.740 -0.001 0.000 0.289 329 N C -0.783 174.723 175.510 -0.006 0.000 1.209 329 N CA -0.122 52.919 53.050 -0.014 0.000 1.154 329 N CB -0.135 38.338 38.487 -0.024 0.000 1.444 329 N HN -0.118 nan 8.380 nan 0.000 0.529 330 V N -0.928 118.987 119.914 0.002 0.000 3.007 330 V HA 0.580 4.699 4.120 -0.001 0.000 0.311 330 V C -0.162 175.938 176.094 0.011 0.000 1.120 330 V CA -1.079 61.227 62.300 0.010 0.000 0.980 330 V CB 1.624 33.459 31.823 0.020 0.000 1.033 330 V HN -0.118 nan 8.190 nan 0.000 0.429 331 V N 2.780 122.704 119.914 0.017 0.000 2.397 331 V HA 0.170 4.290 4.120 -0.001 0.000 0.262 331 V C 1.581 177.685 176.094 0.016 0.000 1.047 331 V CA 0.641 62.951 62.300 0.017 0.000 1.003 331 V CB 0.013 31.851 31.823 0.025 0.000 1.037 331 V HN 1.148 nan 8.190 nan 0.000 0.480 332 E N 3.416 123.620 120.200 0.007 0.000 2.171 332 E HA -0.233 4.117 4.350 -0.001 0.000 0.197 332 E C 2.104 178.696 176.600 -0.014 0.000 0.997 332 E CA 1.724 58.122 56.400 -0.002 0.000 0.810 332 E CB 0.171 29.867 29.700 -0.006 0.000 0.738 332 E HN 0.902 nan 8.360 nan 0.000 0.467 333 S N -1.340 114.356 115.700 -0.007 0.000 2.489 333 S HA 0.070 4.539 4.470 -0.001 0.000 0.228 333 S C 1.654 176.261 174.600 0.011 0.000 0.995 333 S CA 0.639 58.828 58.200 -0.018 0.000 0.934 333 S CB 0.256 63.455 63.200 -0.002 0.000 0.771 333 S HN 0.470 nan 8.310 nan 0.000 0.522 334 G N 0.140 108.967 108.800 0.045 0.000 2.153 334 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.252 334 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.252 334 G C -0.033 174.964 174.900 0.163 0.000 0.994 334 G CA 0.249 45.406 45.100 0.096 0.000 0.698 334 G HN 0.873 nan 8.290 nan 0.000 0.521 335 V N -0.561 119.428 119.914 0.125 0.000 2.789 335 V HA 0.964 5.083 4.120 -0.001 0.000 0.311 335 V C 0.318 176.461 176.094 0.082 0.000 1.073 335 V CA -0.027 62.364 62.300 0.151 0.000 0.921 335 V CB 1.681 33.587 31.823 0.138 0.000 1.009 335 V HN 1.493 nan 8.190 nan 0.000 0.426 336 A N 2.488 125.345 122.820 0.062 0.000 2.534 336 A HA 0.984 5.304 4.320 -0.001 0.000 0.300 336 A C 0.148 177.699 177.584 -0.055 0.000 1.223 336 A CA -0.050 51.987 52.037 -0.001 0.000 0.666 336 A CB 0.995 19.982 19.000 -0.023 0.000 1.316 336 A HN 1.209 nan 8.150 nan 0.000 0.468 337 G N -1.168 107.578 108.800 -0.089 0.000 2.494 337 G HA2 0.485 4.445 3.960 -0.001 0.000 0.270 337 G HA3 0.485 4.445 3.960 -0.001 0.000 0.270 337 G C -0.301 174.431 174.900 -0.280 0.000 1.423 337 G CA -0.392 44.608 45.100 -0.166 0.000 1.055 337 G HN 0.680 nan 8.290 nan 0.000 0.536 338 H N 0.315 119.325 119.070 -0.099 0.000 2.652 338 H HA 0.219 4.775 4.556 -0.001 0.000 0.349 338 H C -1.898 173.259 175.328 -0.284 0.000 1.099 338 H CA -1.171 54.742 56.048 -0.225 0.000 1.417 338 H CB 0.964 30.651 29.762 -0.124 0.000 1.457 338 H HN 0.080 nan 8.280 nan 0.000 0.568 339 P HA 0.048 nan 4.420 nan 0.000 0.268 339 P C 0.727 177.934 177.300 -0.156 0.000 1.204 339 P CA -0.104 62.774 63.100 -0.369 0.000 0.768 339 P CB 0.969 32.270 31.700 -0.665 0.000 0.842 340 R N 1.928 122.362 120.500 -0.109 0.000 2.279 340 R HA 0.407 4.746 4.340 -0.001 0.000 0.195 340 R C 0.326 176.570 176.300 -0.093 0.000 0.905 340 R CA 0.225 56.295 56.100 -0.050 0.000 1.044 340 R CB 0.200 30.493 30.300 -0.011 0.000 1.056 340 R HN 0.472 nan 8.270 nan 0.000 0.535 341 A N 1.206 123.930 122.820 -0.160 0.000 2.427 341 A HA 0.700 5.020 4.320 -0.001 0.000 0.298 341 A C -0.896 176.391 177.584 -0.496 0.000 1.036 341 A CA -0.569 51.287 52.037 -0.303 0.000 0.701 341 A CB 1.404 20.281 19.000 -0.205 0.000 1.250 341 A HN 0.072 nan 8.150 nan 0.000 0.412 342 I N 1.849 122.030 120.570 -0.648 0.000 2.436 342 I HA 0.485 4.655 4.170 -0.001 0.000 0.289 342 I C -1.421 174.238 176.117 -0.763 0.000 1.010 342 I CA -0.371 60.616 61.300 -0.521 0.000 1.098 342 I CB 1.820 39.662 38.000 -0.263 0.000 1.266 342 I HN 0.576 nan 8.210 nan 0.000 0.434 343 F N 5.560 125.395 119.950 -0.193 0.000 2.467 343 F HA 0.501 5.027 4.527 -0.001 0.000 0.336 343 F C -0.475 175.469 175.800 0.240 0.000 1.123 343 F CA -0.624 57.331 58.000 -0.076 0.000 0.964 343 F CB 1.250 40.145 39.000 -0.175 0.000 1.136 343 F HN 0.150 nan 8.300 nan 0.000 0.447 344 F N 4.332 124.436 119.950 0.257 0.000 2.361 344 F HA 0.461 4.988 4.527 -0.001 0.000 0.364 344 F C -0.116 175.822 175.800 0.230 0.000 1.120 344 F CA -1.601 56.527 58.000 0.214 0.000 1.102 344 F CB 0.800 40.015 39.000 0.359 0.000 1.183 344 F HN 0.190 nan 8.300 nan 0.000 0.476 345 L N 2.901 124.333 121.223 0.349 0.000 2.307 345 L HA 0.623 4.963 4.340 -0.001 0.000 0.282 345 L C 0.074 177.104 176.870 0.266 0.000 1.051 345 L CA -0.337 54.657 54.840 0.256 0.000 0.804 345 L CB 1.413 43.576 42.059 0.174 0.000 1.197 345 L HN 0.454 nan 8.230 nan 0.000 0.431 346 S N 1.399 117.219 115.700 0.200 0.000 2.619 346 S HA 0.571 5.041 4.470 -0.001 0.000 0.280 346 S C -0.346 174.304 174.600 0.082 0.000 1.150 346 S CA -0.592 57.693 58.200 0.142 0.000 0.978 346 S CB 2.000 65.356 63.200 0.261 0.000 1.041 346 S HN 0.681 nan 8.310 nan 0.000 0.485 347 A N 2.352 125.191 122.820 0.031 0.000 2.774 347 A HA 0.424 4.744 4.320 -0.001 0.000 0.326 347 A C -0.252 177.472 177.584 0.232 0.000 1.478 347 A CA -0.451 51.655 52.037 0.116 0.000 1.099 347 A CB -0.405 18.671 19.000 0.127 0.000 1.148 347 A HN 0.674 nan 8.150 nan 0.000 0.519 348 D N 2.943 123.536 120.400 0.323 0.000 2.383 348 D HA 0.372 5.011 4.640 -0.001 0.000 0.245 348 D C 1.159 177.833 176.300 0.622 0.000 1.263 348 D CA 0.545 54.845 54.000 0.501 0.000 0.936 348 D CB 0.744 41.872 40.800 0.547 0.000 1.053 348 D HN 0.423 nan 8.370 nan 0.000 0.507 349 A N 3.568 126.672 122.820 0.473 0.000 2.209 349 A HA -0.123 4.196 4.320 -0.001 0.000 0.212 349 A C 1.155 178.800 177.584 0.102 0.000 1.158 349 A CA 0.644 52.737 52.037 0.094 0.000 0.742 349 A CB -0.540 18.190 19.000 -0.451 0.000 0.790 349 A HN 0.664 nan 8.150 nan 0.000 0.472 350 Y N -0.663 119.817 120.300 0.300 0.000 2.544 350 Y HA 0.261 4.811 4.550 -0.001 0.000 0.286 350 Y C 1.936 178.115 175.900 0.465 0.000 1.141 350 Y CA 0.294 58.590 58.100 0.326 0.000 1.299 350 Y CB -0.175 38.472 38.460 0.312 0.000 1.030 350 Y HN 0.436 nan 8.280 nan 0.000 0.543 351 G N -0.187 108.981 108.800 0.613 0.000 2.198 351 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.260 351 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.260 351 G C 0.765 176.137 174.900 0.787 0.000 1.025 351 G CA 0.578 46.087 45.100 0.680 0.000 0.769 351 G HN 0.295 nan 8.290 nan 0.000 0.507 352 V N 0.062 120.301 119.914 0.542 0.000 2.581 352 V HA 0.278 4.398 4.120 -0.001 0.000 0.240 352 V C 1.928 178.216 176.094 0.323 0.000 1.054 352 V CA 0.970 63.481 62.300 0.351 0.000 1.076 352 V CB -0.183 31.746 31.823 0.176 0.000 0.748 352 V HN 0.416 nan 8.190 nan 0.000 0.474 353 L N 3.279 124.629 121.223 0.212 0.000 2.485 353 L HA 0.157 4.497 4.340 -0.001 0.000 0.275 353 L C -1.959 174.953 176.870 0.070 0.000 1.207 353 L CA -1.107 53.774 54.840 0.068 0.000 0.855 353 L CB -0.077 42.007 42.059 0.043 0.000 1.114 353 L HN 0.173 nan 8.230 nan 0.000 0.485 354 P HA 0.145 nan 4.420 nan 0.000 0.276 354 P C -2.195 174.981 177.300 -0.206 0.000 1.244 354 P CA -1.639 61.432 63.100 -0.048 0.000 0.801 354 P CB 0.354 32.037 31.700 -0.028 0.000 1.006 355 P HA -0.071 nan 4.420 nan 0.000 0.217 355 P C 0.711 177.814 177.300 -0.329 0.000 1.151 355 P CA 1.704 64.442 63.100 -0.603 0.000 0.849 355 P CB 0.450 31.766 31.700 -0.641 0.000 0.787 356 I N -2.587 117.858 120.570 -0.208 0.000 2.842 356 I HA 0.580 4.750 4.170 -0.001 0.000 0.297 356 I C -2.024 174.002 176.117 -0.152 0.000 1.380 356 I CA -1.227 59.990 61.300 -0.138 0.000 1.018 356 I CB 2.201 40.154 38.000 -0.080 0.000 1.311 356 I HN -0.147 nan 8.210 nan 0.000 0.439 357 A N 5.892 128.606 122.820 -0.176 0.000 2.520 357 A HA 0.701 5.021 4.320 -0.001 0.000 0.298 357 A C -1.369 176.151 177.584 -0.107 0.000 1.051 357 A CA -0.656 51.202 52.037 -0.298 0.000 0.690 357 A CB 1.929 20.257 19.000 -1.119 0.000 1.281 357 A HN 0.748 nan 8.150 nan 0.000 0.402 358 R N 1.615 122.101 120.500 -0.023 0.000 2.297 358 R HA 0.653 4.993 4.340 -0.001 0.000 0.308 358 R C -1.133 175.064 176.300 -0.172 0.000 1.029 358 R CA -0.339 55.657 56.100 -0.173 0.000 0.929 358 R CB 0.495 30.688 30.300 -0.179 0.000 1.046 358 R HN 0.702 nan 8.270 nan 0.000 0.461 359 L N 2.865 123.950 121.223 -0.230 0.000 2.331 359 L HA 0.432 4.771 4.340 -0.001 0.000 0.275 359 L C 0.436 177.250 176.870 -0.093 0.000 1.022 359 L CA -0.873 53.925 54.840 -0.069 0.000 0.812 359 L CB 1.908 43.962 42.059 -0.007 0.000 1.257 359 L HN 0.755 nan 8.230 nan 0.000 0.435 360 S N 0.928 116.625 115.700 -0.006 0.000 2.645 360 S HA 0.362 4.832 4.470 -0.001 0.000 0.266 360 S C -2.071 172.524 174.600 -0.009 0.000 1.258 360 S CA -1.129 57.053 58.200 -0.031 0.000 0.990 360 S CB 1.234 64.429 63.200 -0.009 0.000 0.967 360 S HN 0.390 nan 8.310 nan 0.000 0.556 361 P HA -0.053 nan 4.420 nan 0.000 0.216 361 P C 0.982 178.301 177.300 0.032 0.000 1.150 361 P CA 1.184 64.274 63.100 -0.018 0.000 0.837 361 P CB -0.005 31.668 31.700 -0.046 0.000 0.786 362 E N -0.186 120.034 120.200 0.032 0.000 2.051 362 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 362 E C 1.953 178.628 176.600 0.125 0.000 0.991 362 E CA 1.221 57.654 56.400 0.056 0.000 0.799 362 E CB -0.795 28.915 29.700 0.016 0.000 0.748 362 E HN 0.388 nan 8.360 nan 0.000 0.449 363 E N 0.270 120.558 120.200 0.146 0.000 2.077 363 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 363 E C 2.041 178.918 176.600 0.461 0.000 0.989 363 E CA 0.928 57.503 56.400 0.291 0.000 0.800 363 E CB -0.167 29.724 29.700 0.318 0.000 0.746 363 E HN 0.281 nan 8.360 nan 0.000 0.452 364 A N 1.002 124.019 122.820 0.328 0.000 1.908 364 A HA -0.219 4.101 4.320 -0.001 0.000 0.218 364 A C 2.149 180.048 177.584 0.524 0.000 1.181 364 A CA 1.514 53.795 52.037 0.407 0.000 0.627 364 A CB -0.455 18.626 19.000 0.135 0.000 0.818 364 A HN 0.161 nan 8.150 nan 0.000 0.445 365 M N -2.532 117.263 119.600 0.326 0.000 2.175 365 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 365 M C 2.231 178.737 176.300 0.343 0.000 1.063 365 M CA 1.667 57.155 55.300 0.313 0.000 1.119 365 M CB -0.399 32.313 32.600 0.187 0.000 1.377 365 M HN 0.622 nan 8.290 nan 0.000 0.415 366 Y N -0.051 120.338 120.300 0.150 0.000 2.163 366 Y HA -0.246 4.303 4.550 -0.001 0.000 0.288 366 Y C 1.823 177.685 175.900 -0.063 0.000 1.136 366 Y CA 1.682 59.765 58.100 -0.028 0.000 1.147 366 Y CB -0.325 37.960 38.460 -0.291 0.000 0.987 366 Y HN 0.084 nan 8.280 nan 0.000 0.509 367 Y N -1.538 119.066 120.300 0.507 0.000 2.439 367 Y HA -0.137 4.413 4.550 -0.001 0.000 0.292 367 Y C 2.115 178.097 175.900 0.137 0.000 1.130 367 Y CA 1.121 59.492 58.100 0.452 0.000 1.254 367 Y CB -0.756 38.087 38.460 0.640 0.000 1.000 367 Y HN 0.284 nan 8.280 nan 0.000 0.554 368 F N 0.038 120.014 119.950 0.043 0.000 2.113 368 F HA -0.156 4.371 4.527 -0.001 0.000 0.297 368 F C 1.786 177.398 175.800 -0.314 0.000 1.103 368 F CA 1.424 59.256 58.000 -0.280 0.000 1.248 368 F CB -0.597 38.377 39.000 -0.042 0.000 0.999 368 F HN -0.064 nan 8.300 nan 0.000 0.475 369 L N -0.674 120.402 121.223 -0.245 0.000 2.201 369 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 369 L C 2.428 179.028 176.870 -0.450 0.000 1.105 369 L CA 1.188 55.772 54.840 -0.427 0.000 0.775 369 L CB -0.652 41.276 42.059 -0.219 0.000 0.913 369 L HN 0.124 nan 8.230 nan 0.000 0.440 370 S N -0.340 115.187 115.700 -0.288 0.000 2.357 370 S HA -0.002 4.468 4.470 -0.001 0.000 0.221 370 S C 1.358 175.904 174.600 -0.090 0.000 1.031 370 S CA 0.777 58.951 58.200 -0.043 0.000 0.982 370 S CB -0.338 63.046 63.200 0.307 0.000 0.853 370 S HN 0.580 nan 8.310 nan 0.000 0.458 371 G N 1.649 110.164 108.800 -0.475 0.000 2.371 371 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.299 371 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.299 371 G C -0.247 174.504 174.900 -0.249 0.000 1.014 371 G CA 0.396 44.952 45.100 -0.908 0.000 1.097 371 G HN 0.524 nan 8.290 nan 0.000 0.512 372 Y N 0.541 120.764 120.300 -0.127 0.000 2.301 372 Y HA 0.679 5.229 4.550 -0.001 0.000 0.325 372 Y C 0.500 176.368 175.900 -0.053 0.000 1.203 372 Y CA 0.127 58.073 58.100 -0.257 0.000 1.255 372 Y CB 1.945 40.288 38.460 -0.195 0.000 1.232 372 Y HN 0.489 nan 8.280 nan 0.000 0.501 373 T N 3.534 117.340 114.554 -1.246 0.000 2.927 373 T HA 0.659 5.008 4.350 -0.001 0.000 0.350 373 T C -2.033 172.197 174.700 -0.783 0.000 1.746 373 T CA -0.128 61.365 62.100 -1.011 0.000 1.081 373 T CB 0.254 68.927 68.868 -0.325 0.000 1.551 373 T HN 1.036 nan 8.240 nan 0.000 0.489 374 A N 3.419 125.991 122.820 -0.413 0.000 2.374 374 A HA 0.980 5.299 4.320 -0.001 0.000 0.317 374 A C -0.543 177.000 177.584 -0.070 0.000 1.094 374 A CA -0.822 51.150 52.037 -0.109 0.000 0.765 374 A CB 1.257 20.347 19.000 0.151 0.000 1.268 374 A HN 0.763 nan 8.150 nan 0.000 0.438 375 R N 0.527 120.968 120.500 -0.099 0.000 2.888 375 R HA 0.844 5.183 4.340 -0.001 0.000 0.266 375 R C -0.995 175.153 176.300 -0.253 0.000 1.020 375 R CA -0.695 55.325 56.100 -0.134 0.000 0.963 375 R CB 1.753 32.012 30.300 -0.069 0.000 1.197 375 R HN 0.862 nan 8.270 nan 0.000 0.481 387 R N 2.206 122.649 120.500 -0.095 0.000 2.360 387 R HA 0.730 5.069 4.340 -0.001 0.000 0.318 387 R C -0.330 176.046 176.300 0.126 0.000 0.950 387 R CA -0.240 55.892 56.100 0.054 0.000 0.837 387 R CB 1.810 32.121 30.300 0.019 0.000 1.165 387 R HN 0.629 nan 8.270 nan 0.000 0.458 388 A N 3.221 126.213 122.820 0.286 0.000 2.407 388 A HA 0.387 4.707 4.320 -0.001 0.000 0.248 388 A C -0.412 177.202 177.584 0.050 0.000 1.082 388 A CA 0.172 52.356 52.037 0.245 0.000 0.785 388 A CB 0.708 19.903 19.000 0.325 0.000 1.020 388 A HN 0.717 nan 8.150 nan 0.000 0.489 389 T N 1.524 115.961 114.554 -0.195 0.000 2.876 389 T HA 0.630 4.980 4.350 -0.001 0.000 0.289 389 T C -1.246 173.214 174.700 -0.399 0.000 1.014 389 T CA 0.054 62.066 62.100 -0.145 0.000 0.986 389 T CB 0.612 69.424 68.868 -0.094 0.000 1.021 389 T HN 0.358 nan 8.240 nan 0.000 0.458 390 F N 1.376 121.335 119.950 0.016 0.000 2.536 390 F HA 0.571 5.097 4.527 -0.001 0.000 0.322 390 F C 0.393 176.162 175.800 -0.052 0.000 1.144 390 F CA -0.800 57.182 58.000 -0.029 0.000 0.924 390 F CB 2.125 41.102 39.000 -0.039 0.000 1.181 390 F HN 0.431 nan 8.300 nan 0.000 0.438 391 S N 2.955 118.666 115.700 0.018 0.000 2.718 391 S HA 0.714 5.183 4.470 -0.001 0.000 0.294 391 S C -0.204 174.266 174.600 -0.216 0.000 1.157 391 S CA -0.582 57.592 58.200 -0.044 0.000 1.121 391 S CB 0.270 63.469 63.200 -0.001 0.000 1.015 391 S HN 0.856 nan 8.310 nan 0.000 0.479 392 A N 2.799 125.464 122.820 -0.259 0.000 2.598 392 A HA 0.181 4.500 4.320 -0.001 0.000 0.239 392 A C 1.472 178.728 177.584 -0.547 0.000 1.032 392 A CA 0.689 52.413 52.037 -0.522 0.000 0.760 392 A CB -1.318 17.259 19.000 -0.704 0.000 0.946 392 A HN 1.826 nan 8.150 nan 0.000 0.512 393 C N 0.529 119.306 119.300 -0.873 0.000 4.265 393 C HA -0.239 4.221 4.460 -0.001 0.000 0.287 393 C C 0.783 175.615 174.990 -0.263 0.000 1.451 393 C CA 0.825 59.179 59.018 -1.106 0.000 1.966 393 C CB -3.230 24.043 27.740 -0.777 0.000 1.302 393 C HN 1.707 nan 8.230 nan 0.000 0.794 394 F N -2.368 117.471 119.950 -0.185 0.000 2.988 394 F HA -0.115 4.412 4.527 -0.001 0.000 0.287 394 F C 1.056 177.039 175.800 0.305 0.000 0.781 394 F CA 1.675 59.722 58.000 0.079 0.000 1.221 394 F CB -1.616 37.509 39.000 0.209 0.000 1.392 394 F HN 0.823 nan 8.300 nan 0.000 0.425 395 G N -1.595 107.395 108.800 0.316 0.000 5.153 395 G HA2 0.529 4.489 3.960 -0.001 0.000 0.213 395 G HA3 0.529 4.489 3.960 -0.001 0.000 0.213 395 G C 0.652 175.576 174.900 0.040 0.000 1.576 395 G CA 0.080 45.453 45.100 0.454 0.000 0.640 395 G HN 0.643 nan 8.290 nan 0.000 0.237 396 A N 1.473 124.233 122.820 -0.100 0.000 1.927 396 A HA 0.001 4.320 4.320 -0.001 0.000 0.220 396 A C 0.442 177.860 177.584 -0.276 0.000 1.185 396 A CA 2.181 54.117 52.037 -0.167 0.000 0.639 396 A CB -0.905 18.041 19.000 -0.090 0.000 0.820 396 A HN 0.373 nan 8.150 nan 0.000 0.451 397 P HA -0.077 nan 4.420 nan 0.000 0.228 397 P C 0.163 176.997 177.300 -0.777 0.000 1.151 397 P CA 0.812 63.474 63.100 -0.731 0.000 0.770 397 P CB -0.116 30.992 31.700 -0.986 0.000 0.786 398 F N -2.044 117.875 119.950 -0.052 0.000 2.668 398 F HA 0.270 4.797 4.527 -0.001 0.000 0.301 398 F C 0.567 176.233 175.800 -0.223 0.000 1.106 398 F CA -0.568 57.350 58.000 -0.136 0.000 1.289 398 F CB -0.471 38.420 39.000 -0.181 0.000 1.006 398 F HN -0.266 nan 8.300 nan 0.000 0.535 399 L N 2.443 123.613 121.223 -0.088 0.000 2.264 399 L HA 0.346 4.686 4.340 -0.001 0.000 0.287 399 L C -1.738 175.187 176.870 0.091 0.000 1.039 399 L CA -1.606 53.191 54.840 -0.072 0.000 0.829 399 L CB 1.326 43.288 42.059 -0.161 0.000 1.211 399 L HN -0.169 nan 8.230 nan 0.000 0.427 400 P HA -0.002 nan 4.420 nan 0.000 0.220 400 P C 0.384 177.764 177.300 0.132 0.000 1.152 400 P CA 1.126 64.303 63.100 0.127 0.000 0.812 400 P CB 0.358 32.150 31.700 0.152 0.000 0.792 401 M N -2.049 117.713 119.600 0.269 0.000 2.513 401 M HA 0.195 4.675 4.480 -0.001 0.000 0.291 401 M C 0.783 177.241 176.300 0.262 0.000 1.190 401 M CA -0.802 54.624 55.300 0.210 0.000 0.960 401 M CB 0.282 32.907 32.600 0.042 0.000 1.517 401 M HN -0.087 nan 8.290 nan 0.000 0.499 402 H N 1.386 120.451 119.070 -0.009 0.000 2.848 402 H HA 0.073 4.629 4.556 -0.001 0.000 0.341 402 H C -2.030 173.212 175.328 -0.143 0.000 1.060 402 H CA -0.853 55.009 56.048 -0.310 0.000 1.444 402 H CB 1.051 30.490 29.762 -0.539 0.000 1.446 402 H HN 0.255 nan 8.280 nan 0.000 0.583 403 P HA -0.123 nan 4.420 nan 0.000 0.217 403 P C 1.384 178.719 177.300 0.058 0.000 1.148 403 P CA 1.784 64.787 63.100 -0.162 0.000 0.828 403 P CB -0.052 31.240 31.700 -0.681 0.000 0.783 404 G N -0.467 108.456 108.800 0.205 0.000 2.450 404 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.220 404 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.220 404 G C 1.575 176.510 174.900 0.058 0.000 1.130 404 G CA 0.631 45.817 45.100 0.143 0.000 0.760 404 G HN 0.181 nan 8.290 nan 0.000 0.557 405 V N -0.221 119.690 119.914 -0.005 0.000 2.358 405 V HA -0.166 3.953 4.120 -0.001 0.000 0.246 405 V C 2.391 178.403 176.094 -0.138 0.000 1.047 405 V CA 1.494 63.699 62.300 -0.159 0.000 1.035 405 V CB -0.671 30.950 31.823 -0.337 0.000 0.658 405 V HN 0.468 nan 8.190 nan 0.000 0.452 406 Y N 0.524 120.937 120.300 0.188 0.000 2.263 406 Y HA -0.012 4.537 4.550 -0.001 0.000 0.292 406 Y C 2.512 178.658 175.900 0.410 0.000 1.130 406 Y CA 1.066 59.407 58.100 0.401 0.000 1.179 406 Y CB -0.902 37.868 38.460 0.517 0.000 0.998 406 Y HN 0.173 nan 8.280 nan 0.000 0.532 407 A N 0.411 123.522 122.820 0.486 0.000 1.902 407 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 407 A C 2.308 179.937 177.584 0.075 0.000 1.181 407 A CA 1.530 53.786 52.037 0.366 0.000 0.623 407 A CB -0.619 18.560 19.000 0.298 0.000 0.818 407 A HN 0.351 nan 8.150 nan 0.000 0.443 408 R N -1.053 119.465 120.500 0.030 0.000 2.094 408 R HA -0.184 4.156 4.340 -0.001 0.000 0.239 408 R C 2.324 178.534 176.300 -0.150 0.000 1.137 408 R CA 2.167 58.233 56.100 -0.056 0.000 0.943 408 R CB -0.436 29.827 30.300 -0.062 0.000 0.850 408 R HN 0.607 nan 8.270 nan 0.000 0.433 409 M N 0.115 119.614 119.600 -0.168 0.000 2.108 409 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 409 M C 2.337 178.242 176.300 -0.659 0.000 1.066 409 M CA 1.278 56.394 55.300 -0.307 0.000 1.107 409 M CB -0.424 32.099 32.600 -0.128 0.000 1.356 409 M HN 0.163 nan 8.290 nan 0.000 0.406 410 L N 0.794 121.487 121.223 -0.882 0.000 2.012 410 L HA -0.063 4.276 4.340 -0.001 0.000 0.210 410 L C 2.340 178.897 176.870 -0.522 0.000 1.073 410 L CA 2.282 56.503 54.840 -1.032 0.000 0.748 410 L CB -1.316 40.200 42.059 -0.905 0.000 0.891 410 L HN 0.251 nan 8.230 nan 0.000 0.431 411 G N -1.091 107.516 108.800 -0.321 0.000 2.440 411 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 411 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 411 G C 1.398 176.162 174.900 -0.226 0.000 1.154 411 G CA 0.920 45.901 45.100 -0.199 0.000 0.767 411 G HN 0.590 nan 8.290 nan 0.000 0.552 412 E N 0.305 120.343 120.200 -0.269 0.000 2.051 412 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 412 E C 2.561 178.965 176.600 -0.327 0.000 0.991 412 E CA 0.787 57.032 56.400 -0.258 0.000 0.799 412 E CB -0.065 29.492 29.700 -0.239 0.000 0.748 412 E HN 0.174 nan 8.360 nan 0.000 0.449 413 K N 0.799 120.905 120.400 -0.490 0.000 2.057 413 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 413 K C 2.175 178.565 176.600 -0.350 0.000 1.049 413 K CA 0.892 56.779 56.287 -0.665 0.000 0.931 413 K CB -0.302 31.316 32.500 -1.471 0.000 0.714 413 K HN 0.225 nan 8.250 nan 0.000 0.440 414 I N 0.506 120.935 120.570 -0.236 0.000 2.142 414 I HA -0.272 3.897 4.170 -0.001 0.000 0.240 414 I C 2.462 178.533 176.117 -0.076 0.000 1.078 414 I CA 1.240 62.511 61.300 -0.049 0.000 1.343 414 I CB -0.237 37.722 38.000 -0.068 0.000 1.046 414 I HN 0.124 nan 8.210 nan 0.000 0.405 415 R N 0.565 120.985 120.500 -0.133 0.000 2.120 415 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 415 R C 2.269 178.469 176.300 -0.166 0.000 1.123 415 R CA 1.254 57.276 56.100 -0.131 0.000 0.975 415 R CB -0.180 30.042 30.300 -0.129 0.000 0.866 415 R HN 0.291 nan 8.270 nan 0.000 0.446 416 K N -0.674 119.576 120.400 -0.249 0.000 2.262 416 K HA -0.043 4.277 4.320 -0.001 0.000 0.200 416 K C 1.117 177.402 176.600 -0.525 0.000 1.049 416 K CA 0.819 56.869 56.287 -0.395 0.000 0.979 416 K CB 0.368 32.554 32.500 -0.524 0.000 0.773 416 K HN 0.279 nan 8.250 nan 0.000 0.474 417 H N -0.826 118.195 119.070 -0.083 0.000 2.740 417 H HA 0.259 4.814 4.556 -0.001 0.000 0.265 417 H C 0.201 175.540 175.328 0.018 0.000 0.978 417 H CA 0.638 56.673 56.048 -0.021 0.000 1.198 417 H CB 1.057 30.884 29.762 0.108 0.000 1.467 417 H HN 0.225 nan 8.280 nan 0.000 0.511 418 A N 2.097 124.956 122.820 0.065 0.000 2.560 418 A HA -0.150 4.169 4.320 -0.001 0.000 0.299 418 A C -1.989 175.609 177.584 0.023 0.000 1.484 418 A CA 0.245 52.292 52.037 0.017 0.000 0.749 418 A CB -1.769 17.221 19.000 -0.017 0.000 1.072 418 A HN 0.314 nan 8.150 nan 0.000 0.426 419 P HA 0.469 nan 4.420 nan 0.000 0.278 419 P C -0.315 176.906 177.300 -0.132 0.000 1.258 419 P CA -0.515 62.574 63.100 -0.018 0.000 0.811 419 P CB 0.710 32.416 31.700 0.009 0.000 1.063 420 R N 0.395 120.774 120.500 -0.201 0.000 2.357 420 R HA 0.462 4.801 4.340 -0.001 0.000 0.296 420 R C -0.612 175.330 176.300 -0.597 0.000 1.052 420 R CA -0.713 55.151 56.100 -0.393 0.000 0.988 420 R CB 0.703 30.821 30.300 -0.302 0.000 1.025 420 R HN 0.294 nan 8.270 nan 0.000 0.469 421 V N 5.142 124.602 119.914 -0.756 0.000 2.487 421 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 421 V C -0.970 174.603 176.094 -0.869 0.000 1.028 421 V CA -0.791 61.065 62.300 -0.740 0.000 0.860 421 V CB 1.347 32.845 31.823 -0.542 0.000 0.991 421 V HN 0.575 nan 8.190 nan 0.000 0.427 422 Y N 3.870 123.855 120.300 -0.524 0.000 2.499 422 Y HA 0.705 5.255 4.550 -0.001 0.000 0.347 422 Y C -0.394 175.388 175.900 -0.196 0.000 0.987 422 Y CA -1.081 56.836 58.100 -0.305 0.000 1.044 422 Y CB 1.991 40.349 38.460 -0.170 0.000 1.245 422 Y HN 0.506 nan 8.280 nan 0.000 0.461 423 L N 3.267 124.494 121.223 0.008 0.000 2.280 423 L HA 0.692 5.032 4.340 -0.001 0.000 0.287 423 L C -1.274 175.604 176.870 0.014 0.000 1.023 423 L CA -0.612 54.251 54.840 0.038 0.000 0.819 423 L CB 0.848 42.804 42.059 -0.172 0.000 1.212 423 L HN 0.459 nan 8.230 nan 0.000 0.420 424 V N 4.738 124.722 119.914 0.118 0.000 2.384 424 V HA 0.421 4.541 4.120 -0.001 0.000 0.287 424 V C -0.155 175.947 176.094 0.013 0.000 1.020 424 V CA -0.756 61.570 62.300 0.042 0.000 0.850 424 V CB 1.486 33.367 31.823 0.096 0.000 0.987 424 V HN 0.784 nan 8.190 nan 0.000 0.436 425 N N 3.153 121.793 118.700 -0.101 0.000 2.462 425 N HA 0.182 4.921 4.740 -0.001 0.000 0.242 425 N C 0.783 176.201 175.510 -0.153 0.000 1.010 425 N CA -0.086 52.914 53.050 -0.083 0.000 0.939 425 N CB 1.355 39.781 38.487 -0.102 0.000 1.127 425 N HN 0.781 nan 8.380 nan 0.000 0.509 426 T N -0.126 114.395 114.554 -0.055 0.000 3.186 426 T HA 0.348 4.698 4.350 -0.001 0.000 0.257 426 T C 0.999 175.622 174.700 -0.128 0.000 1.029 426 T CA -0.202 61.861 62.100 -0.063 0.000 0.916 426 T CB 0.143 68.991 68.868 -0.034 0.000 1.041 426 T HN 0.316 nan 8.240 nan 0.000 0.562 427 G N 0.263 109.010 108.800 -0.088 0.000 3.411 427 G HA2 0.514 4.473 3.960 -0.001 0.000 0.186 427 G HA3 0.514 4.473 3.960 -0.001 0.000 0.186 427 G C -0.492 174.232 174.900 -0.293 0.000 1.766 427 G CA -0.804 44.195 45.100 -0.168 0.000 0.971 427 G HN 0.438 nan 8.290 nan 0.000 0.590 428 W N -1.278 120.102 121.300 0.133 0.000 2.671 428 W HA 0.652 5.311 4.660 -0.001 0.000 0.360 428 W C -0.162 176.418 176.519 0.102 0.000 1.128 428 W CA -0.271 57.130 57.345 0.094 0.000 1.184 428 W CB 1.743 31.280 29.460 0.129 0.000 1.415 428 W HN 0.511 nan 8.180 nan 0.000 0.604 429 T N -1.745 112.927 114.554 0.196 0.000 2.749 429 T HA 0.432 4.781 4.350 -0.001 0.000 0.310 429 T C 0.141 174.870 174.700 0.048 0.000 1.496 429 T CA 0.490 62.709 62.100 0.197 0.000 1.006 429 T CB 1.005 69.995 68.868 0.203 0.000 1.457 429 T HN 0.988 nan 8.240 nan 0.000 0.497 430 G N 0.044 108.951 108.800 0.178 0.000 2.143 430 G HA2 0.320 4.280 3.960 -0.001 0.000 0.249 430 G HA3 0.320 4.280 3.960 -0.001 0.000 0.249 430 G C 1.081 175.684 174.900 -0.495 0.000 0.981 430 G CA 0.724 45.860 45.100 0.060 0.000 0.665 430 G HN 2.060 nan 8.290 nan 0.000 0.528 431 G N -1.449 106.662 108.800 -1.149 0.000 2.351 431 G HA2 0.524 4.484 3.960 -0.001 0.000 0.353 431 G HA3 0.524 4.484 3.960 -0.001 0.000 0.353 431 G C -3.003 171.380 174.900 -0.862 0.000 1.358 431 G CA 0.051 44.072 45.100 -1.797 0.000 0.995 431 G HN 0.703 nan 8.290 nan 0.000 0.611 432 P HA 0.266 nan 4.420 nan 0.000 0.272 432 P C -0.383 176.841 177.300 -0.127 0.000 1.240 432 P CA -0.219 62.819 63.100 -0.102 0.000 0.791 432 P CB 0.503 32.208 31.700 0.008 0.000 0.978 433 Y N 0.900 121.053 120.300 -0.245 0.000 2.895 433 Y HA 0.165 4.714 4.550 -0.001 0.000 0.334 433 Y C 1.723 177.473 175.900 -0.250 0.000 1.261 433 Y CA 2.326 60.186 58.100 -0.400 0.000 1.560 433 Y CB -0.499 37.618 38.460 -0.572 0.000 1.253 433 Y HN 0.862 nan 8.280 nan 0.000 0.582 434 G N 2.722 110.974 108.800 -0.914 0.000 2.317 434 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.227 434 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.227 434 G C 0.569 175.297 174.900 -0.287 0.000 1.042 434 G CA 0.350 45.100 45.100 -0.584 0.000 0.623 434 G HN 0.764 nan 8.290 nan 0.000 0.509 435 V N 1.136 120.913 119.914 -0.229 0.000 3.048 435 V HA 0.485 4.604 4.120 -0.001 0.000 0.241 435 V C 2.174 178.203 176.094 -0.108 0.000 1.129 435 V CA 1.635 63.840 62.300 -0.159 0.000 1.128 435 V CB -0.027 31.685 31.823 -0.184 0.000 0.849 435 V HN 0.801 nan 8.190 nan 0.000 0.475 436 G N -0.330 108.403 108.800 -0.111 0.000 2.508 436 G HA2 0.431 4.390 3.960 -0.001 0.000 0.278 436 G HA3 0.431 4.390 3.960 -0.001 0.000 0.278 436 G C -0.786 174.274 174.900 0.267 0.000 1.389 436 G CA 0.130 45.262 45.100 0.053 0.000 1.050 436 G HN 0.420 nan 8.290 nan 0.000 0.522 437 Y N -2.897 117.512 120.300 0.181 0.000 2.615 437 Y HA 0.786 5.336 4.550 -0.001 0.000 0.341 437 Y C -0.193 175.829 175.900 0.203 0.000 1.089 437 Y CA -2.175 56.050 58.100 0.207 0.000 1.049 437 Y CB 0.941 39.434 38.460 0.056 0.000 1.296 437 Y HN 0.506 nan 8.280 nan 0.000 0.470 438 R N 1.619 122.109 120.500 -0.017 0.000 2.449 438 R HA 0.221 4.560 4.340 -0.001 0.000 0.296 438 R C -1.175 174.940 176.300 -0.308 0.000 1.047 438 R CA -0.474 55.320 56.100 -0.510 0.000 1.018 438 R CB -0.453 29.596 30.300 -0.418 0.000 0.962 438 R HN 0.710 nan 8.270 nan 0.000 0.428 439 F N 7.112 126.793 119.950 -0.448 0.000 2.578 439 F HA 0.193 4.719 4.527 -0.001 0.000 0.381 439 F C -1.532 174.180 175.800 -0.146 0.000 1.069 439 F CA -1.666 56.170 58.000 -0.273 0.000 1.231 439 F CB 0.414 39.289 39.000 -0.208 0.000 1.086 439 F HN 0.578 nan 8.300 nan 0.000 0.564 440 P HA -0.052 nan 4.420 nan 0.000 0.262 440 P C 0.612 177.828 177.300 -0.140 0.000 1.199 440 P CA 0.012 62.940 63.100 -0.286 0.000 0.763 440 P CB 0.658 32.176 31.700 -0.302 0.000 0.790 441 L N 8.048 129.237 121.223 -0.056 0.000 2.013 441 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 441 L C -0.819 176.044 176.870 -0.012 0.000 1.073 441 L CA 2.582 57.416 54.840 -0.011 0.000 0.753 441 L CB -2.027 40.012 42.059 -0.032 0.000 0.890 441 L HN 0.350 nan 8.230 nan 0.000 0.432 442 P HA -0.177 nan 4.420 nan 0.000 0.216 442 P C 2.085 179.371 177.300 -0.022 0.000 1.154 442 P CA 1.702 64.778 63.100 -0.040 0.000 0.865 442 P CB -0.110 31.559 31.700 -0.053 0.000 0.789 443 V N -0.618 119.278 119.914 -0.030 0.000 2.343 443 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 443 V C 2.383 178.562 176.094 0.141 0.000 1.051 443 V CA 2.527 64.847 62.300 0.034 0.000 1.036 443 V CB -1.887 29.909 31.823 -0.046 0.000 0.654 443 V HN 0.191 nan 8.190 nan 0.000 0.451 444 T N -0.296 114.378 114.554 0.200 0.000 2.720 444 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 444 T C 2.073 176.779 174.700 0.010 0.000 1.037 444 T CA 1.570 63.751 62.100 0.135 0.000 1.144 444 T CB -0.246 68.690 68.868 0.113 0.000 0.864 444 T HN 0.433 nan 8.240 nan 0.000 0.444 445 R N 0.891 121.385 120.500 -0.010 0.000 2.081 445 R HA 0.004 4.344 4.340 -0.001 0.000 0.235 445 R C 2.840 179.112 176.300 -0.047 0.000 1.131 445 R CA 1.317 57.387 56.100 -0.049 0.000 0.960 445 R CB -0.499 29.772 30.300 -0.049 0.000 0.856 445 R HN 0.365 nan 8.270 nan 0.000 0.436 446 A N 1.267 124.074 122.820 -0.022 0.000 1.902 446 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 446 A C 2.188 179.754 177.584 -0.029 0.000 1.181 446 A CA 1.195 53.220 52.037 -0.021 0.000 0.623 446 A CB -0.562 18.434 19.000 -0.007 0.000 0.818 446 A HN 0.187 nan 8.150 nan 0.000 0.443 447 L N -1.114 120.096 121.223 -0.022 0.000 2.083 447 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 447 L C 2.553 179.360 176.870 -0.104 0.000 1.083 447 L CA 1.077 55.886 54.840 -0.052 0.000 0.752 447 L CB -0.470 41.565 42.059 -0.039 0.000 0.899 447 L HN 0.481 nan 8.230 nan 0.000 0.433 448 L N 0.308 121.454 121.223 -0.129 0.000 2.017 448 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 448 L C 2.571 179.373 176.870 -0.114 0.000 1.073 448 L CA 1.858 56.572 54.840 -0.209 0.000 0.745 448 L CB -0.603 41.307 42.059 -0.247 0.000 0.894 448 L HN 0.129 nan 8.230 nan 0.000 0.432 449 K N -0.685 119.671 120.400 -0.074 0.000 2.063 449 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 449 K C 1.954 178.542 176.600 -0.020 0.000 1.048 449 K CA 1.424 57.689 56.287 -0.037 0.000 0.928 449 K CB -0.252 32.228 32.500 -0.032 0.000 0.713 449 K HN 0.457 nan 8.250 nan 0.000 0.442 450 A N 0.948 123.750 122.820 -0.029 0.000 1.930 450 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 450 A C 2.301 179.880 177.584 -0.008 0.000 1.175 450 A CA 1.747 53.774 52.037 -0.016 0.000 0.627 450 A CB -0.697 18.289 19.000 -0.025 0.000 0.815 450 A HN 0.488 nan 8.150 nan 0.000 0.443 451 A N -0.365 122.425 122.820 -0.049 0.000 1.930 451 A HA 0.016 4.336 4.320 -0.001 0.000 0.217 451 A C 2.139 179.762 177.584 0.066 0.000 1.175 451 A CA 1.423 53.417 52.037 -0.071 0.000 0.627 451 A CB -0.491 18.314 19.000 -0.325 0.000 0.815 451 A HN 0.468 nan 8.150 nan 0.000 0.443 452 L N 0.172 121.445 121.223 0.084 0.000 2.131 452 L HA -0.109 4.231 4.340 -0.001 0.000 0.206 452 L C 2.908 179.817 176.870 0.066 0.000 1.087 452 L CA 1.390 56.293 54.840 0.105 0.000 0.767 452 L CB -0.402 41.714 42.059 0.095 0.000 0.917 452 L HN 0.583 nan 8.230 nan 0.000 0.441 453 S N -0.683 115.043 115.700 0.044 0.000 2.453 453 S HA 0.018 4.488 4.470 -0.001 0.000 0.231 453 S C 1.628 176.253 174.600 0.042 0.000 1.005 453 S CA 0.785 59.006 58.200 0.035 0.000 0.949 453 S CB 0.223 63.436 63.200 0.022 0.000 0.774 453 S HN 0.555 nan 8.310 nan 0.000 0.510 454 G N 0.410 109.244 108.800 0.056 0.000 2.201 454 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.212 454 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.212 454 G C 1.022 175.962 174.900 0.066 0.000 0.994 454 G CA 0.214 45.353 45.100 0.065 0.000 0.644 454 G HN 1.162 nan 8.290 nan 0.000 0.508 455 A N 0.359 123.209 122.820 0.051 0.000 1.986 455 A HA 0.179 4.498 4.320 -0.001 0.000 0.220 455 A C 2.199 179.821 177.584 0.063 0.000 1.171 455 A CA 1.762 53.825 52.037 0.043 0.000 0.640 455 A CB -0.360 18.653 19.000 0.022 0.000 0.811 455 A HN 0.906 nan 8.150 nan 0.000 0.451 456 L N -0.289 120.991 121.223 0.094 0.000 2.622 456 L HA -0.035 4.305 4.340 -0.001 0.000 0.233 456 L C 1.477 178.497 176.870 0.250 0.000 1.156 456 L CA 0.285 55.221 54.840 0.160 0.000 0.866 456 L CB -0.313 41.876 42.059 0.216 0.000 0.980 456 L HN 0.339 nan 8.230 nan 0.000 0.448 457 E N -0.122 120.177 120.200 0.166 0.000 2.474 457 E HA 0.027 4.377 4.350 -0.001 0.000 0.194 457 E C 0.507 177.185 176.600 0.130 0.000 1.041 457 E CA 0.357 56.844 56.400 0.145 0.000 0.874 457 E CB 0.165 29.917 29.700 0.087 0.000 0.914 457 E HN 0.602 nan 8.360 nan 0.000 0.498 458 N N 0.529 119.297 118.700 0.113 0.000 2.338 458 N HA 0.084 4.823 4.740 -0.001 0.000 0.251 458 N C -0.255 175.298 175.510 0.071 0.000 1.199 458 N CA -0.113 52.986 53.050 0.082 0.000 0.879 458 N CB 1.614 40.131 38.487 0.051 0.000 1.159 458 N HN -0.094 nan 8.380 nan 0.000 0.514 459 V N -1.886 118.084 119.914 0.094 0.000 2.960 459 V HA 0.716 4.835 4.120 -0.001 0.000 0.315 459 V C -2.602 173.511 176.094 0.032 0.000 1.087 459 V CA -2.300 60.001 62.300 0.002 0.000 0.982 459 V CB 1.983 33.732 31.823 -0.123 0.000 1.039 459 V HN -0.105 nan 8.190 nan 0.000 0.437 460 P HA 0.440 nan 4.420 nan 0.000 0.277 460 P C -1.762 175.511 177.300 -0.045 0.000 1.240 460 P CA 0.031 63.166 63.100 0.057 0.000 0.798 460 P CB 0.736 32.452 31.700 0.028 0.000 0.979 461 Y N 0.001 120.319 120.300 0.030 0.000 2.602 461 Y HA 0.518 5.067 4.550 -0.001 0.000 0.342 461 Y C 0.954 176.878 175.900 0.040 0.000 1.029 461 Y CA -0.697 57.425 58.100 0.037 0.000 1.080 461 Y CB 2.168 40.651 38.460 0.039 0.000 1.284 461 Y HN 0.349 nan 8.280 nan 0.000 0.485 462 R N 0.620 121.247 120.500 0.212 0.000 2.750 462 R HA 0.807 5.146 4.340 -0.001 0.000 0.281 462 R C -1.385 175.018 176.300 0.172 0.000 0.972 462 R CA -1.238 54.950 56.100 0.146 0.000 0.912 462 R CB 1.749 32.106 30.300 0.096 0.000 1.187 462 R HN 0.524 nan 8.270 nan 0.000 0.464 463 R N 1.382 121.960 120.500 0.129 0.000 2.265 463 R HA 0.091 4.431 4.340 -0.001 0.000 0.314 463 R C -0.720 175.655 176.300 0.125 0.000 1.053 463 R CA -0.124 56.050 56.100 0.125 0.000 0.931 463 R CB 0.750 31.091 30.300 0.067 0.000 1.024 463 R HN 0.665 nan 8.270 nan 0.000 0.457 464 D N 5.603 126.109 120.400 0.177 0.000 2.383 464 D HA 0.021 4.661 4.640 -0.001 0.000 0.252 464 D C -1.453 174.865 176.300 0.030 0.000 1.166 464 D CA -1.460 52.635 54.000 0.158 0.000 0.879 464 D CB 1.421 42.359 40.800 0.230 0.000 1.164 464 D HN 0.366 nan 8.370 nan 0.000 0.462 465 P HA -0.108 nan 4.420 nan 0.000 0.221 465 P C 1.407 178.637 177.300 -0.118 0.000 1.150 465 P CA 0.456 63.536 63.100 -0.034 0.000 0.800 465 P CB 0.602 32.298 31.700 -0.007 0.000 0.787 466 V N -1.334 118.488 119.914 -0.154 0.000 2.436 466 V HA -0.031 4.089 4.120 -0.001 0.000 0.240 466 V C 2.243 177.961 176.094 -0.627 0.000 1.040 466 V CA 1.365 63.430 62.300 -0.391 0.000 1.052 466 V CB -1.229 30.300 31.823 -0.491 0.000 0.707 466 V HN -0.114 nan 8.190 nan 0.000 0.469 467 F N 0.968 120.632 119.950 -0.477 0.000 2.743 467 F HA 0.398 4.924 4.527 -0.001 0.000 0.297 467 F C 2.042 177.397 175.800 -0.741 0.000 1.131 467 F CA 0.803 58.347 58.000 -0.760 0.000 1.426 467 F CB -0.544 37.632 39.000 -1.373 0.000 1.116 467 F HN 0.295 nan 8.300 nan 0.000 0.583 468 G N 0.822 109.394 108.800 -0.380 0.000 2.189 468 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.267 468 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.267 468 G C 0.483 175.347 174.900 -0.060 0.000 0.975 468 G CA 0.511 45.493 45.100 -0.198 0.000 0.644 468 G HN 0.474 nan 8.290 nan 0.000 0.537 469 F N -0.403 119.592 119.950 0.076 0.000 2.368 469 F HA 0.776 5.302 4.527 -0.001 0.000 0.308 469 F C 0.637 176.465 175.800 0.047 0.000 1.198 469 F CA -1.324 56.700 58.000 0.040 0.000 1.130 469 F CB 0.732 39.743 39.000 0.017 0.000 1.300 469 F HN 0.033 nan 8.300 nan 0.000 0.537 470 E N 0.944 121.333 120.200 0.316 0.000 2.167 470 E HA 0.392 4.742 4.350 -0.001 0.000 0.284 470 E C -1.168 175.622 176.600 0.318 0.000 1.016 470 E CA -0.678 55.869 56.400 0.245 0.000 0.817 470 E CB 2.028 31.734 29.700 0.011 0.000 1.080 470 E HN 0.373 nan 8.360 nan 0.000 0.397 471 V N 5.955 126.074 119.914 0.342 0.000 2.417 471 V HA 0.300 4.420 4.120 -0.001 0.000 0.291 471 V C -2.057 174.106 176.094 0.115 0.000 1.024 471 V CA -2.152 60.271 62.300 0.205 0.000 0.861 471 V CB 1.416 33.319 31.823 0.132 0.000 0.985 471 V HN 0.617 nan 8.190 nan 0.000 0.436 472 P HA 0.163 nan 4.420 nan 0.000 0.268 472 P C 0.423 177.570 177.300 -0.254 0.000 1.205 472 P CA 0.028 62.783 63.100 -0.575 0.000 0.771 472 P CB 1.420 32.813 31.700 -0.512 0.000 0.858 473 L N 1.103 122.177 121.223 -0.249 0.000 2.477 473 L HA 0.097 4.436 4.340 -0.001 0.000 0.220 473 L C 1.262 178.078 176.870 -0.089 0.000 1.106 473 L CA 0.829 55.605 54.840 -0.107 0.000 0.851 473 L CB -0.094 41.926 42.059 -0.065 0.000 0.994 473 L HN 0.555 nan 8.230 nan 0.000 0.462 474 E N -1.091 119.032 120.200 -0.129 0.000 2.423 474 E HA 0.753 5.102 4.350 -0.001 0.000 0.280 474 E C -1.324 175.219 176.600 -0.096 0.000 1.030 474 E CA -1.110 55.241 56.400 -0.082 0.000 0.812 474 E CB 2.176 31.842 29.700 -0.057 0.000 1.313 474 E HN -0.131 nan 8.360 nan 0.000 0.456 475 A N 1.586 124.373 122.820 -0.055 0.000 2.532 475 A HA 0.528 4.847 4.320 -0.001 0.000 0.296 475 A C -2.828 174.741 177.584 -0.024 0.000 1.058 475 A CA -1.281 50.728 52.037 -0.046 0.000 0.729 475 A CB 1.188 20.161 19.000 -0.046 0.000 1.285 475 A HN 0.504 nan 8.150 nan 0.000 0.396 476 P HA 0.248 nan 4.420 nan 0.000 0.264 476 P C 1.004 178.297 177.300 -0.012 0.000 1.183 476 P CA 1.898 64.990 63.100 -0.013 0.000 0.763 476 P CB 0.664 32.359 31.700 -0.009 0.000 0.807 477 G N 1.302 110.096 108.800 -0.010 0.000 2.168 477 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.257 477 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.257 477 G C -0.145 174.751 174.900 -0.007 0.000 0.997 477 G CA 0.062 45.155 45.100 -0.011 0.000 0.708 477 G HN 0.583 nan 8.290 nan 0.000 0.520 478 V N 0.295 120.207 119.914 -0.002 0.000 2.638 478 V HA 0.485 4.604 4.120 -0.001 0.000 0.306 478 V C -2.109 173.993 176.094 0.014 0.000 1.052 478 V CA -1.780 60.527 62.300 0.011 0.000 0.885 478 V CB 2.269 34.105 31.823 0.023 0.000 0.999 478 V HN 0.086 nan 8.190 nan 0.000 0.424 479 P HA 0.120 nan 4.420 nan 0.000 0.264 479 P C 0.584 177.907 177.300 0.037 0.000 1.229 479 P CA -0.127 62.985 63.100 0.019 0.000 0.780 479 P CB 0.622 32.328 31.700 0.012 0.000 0.808 480 Q N 4.417 124.231 119.800 0.024 0.000 2.197 480 Q HA -0.272 4.067 4.340 -0.001 0.000 0.207 480 Q C 1.463 177.489 176.000 0.043 0.000 0.984 480 Q CA 1.875 57.693 55.803 0.025 0.000 0.869 480 Q CB -0.836 27.907 28.738 0.009 0.000 0.906 480 Q HN 0.531 nan 8.270 nan 0.000 0.426 481 E N 1.026 121.255 120.200 0.048 0.000 2.333 481 E HA -0.165 4.184 4.350 -0.001 0.000 0.198 481 E C 1.558 178.220 176.600 0.102 0.000 1.007 481 E CA 1.079 57.516 56.400 0.063 0.000 0.845 481 E CB -0.261 29.471 29.700 0.055 0.000 0.766 481 E HN 0.578 nan 8.360 nan 0.000 0.507 482 L N 0.424 121.723 121.223 0.126 0.000 2.567 482 L HA 0.136 4.475 4.340 -0.001 0.000 0.225 482 L C 2.308 179.310 176.870 0.219 0.000 1.119 482 L CA -0.055 54.914 54.840 0.215 0.000 0.871 482 L CB -0.110 42.097 42.059 0.246 0.000 1.036 482 L HN 0.056 nan 8.230 nan 0.000 0.459 483 L N -0.518 120.782 121.223 0.127 0.000 2.240 483 L HA -0.031 4.309 4.340 -0.001 0.000 0.211 483 L C 1.056 177.964 176.870 0.063 0.000 1.106 483 L CA 0.610 55.495 54.840 0.076 0.000 0.793 483 L CB -0.214 41.862 42.059 0.029 0.000 0.927 483 L HN 0.268 nan 8.230 nan 0.000 0.446 484 N N 0.766 119.507 118.700 0.068 0.000 2.609 484 N HA 0.130 4.869 4.740 -0.001 0.000 0.234 484 N C -1.719 173.817 175.510 0.043 0.000 1.001 484 N CA -1.947 51.129 53.050 0.043 0.000 0.926 484 N CB 1.352 39.850 38.487 0.018 0.000 1.130 484 N HN -0.091 nan 8.380 nan 0.000 0.510 485 P HA -0.214 nan 4.420 nan 0.000 0.216 485 P C 1.232 178.468 177.300 -0.106 0.000 1.150 485 P CA 1.036 64.214 63.100 0.130 0.000 0.843 485 P CB 0.549 32.401 31.700 0.253 0.000 0.787 486 R N 0.270 120.413 120.500 -0.595 0.000 2.120 486 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 486 R C 2.077 178.189 176.300 -0.314 0.000 1.123 486 R CA 1.168 56.614 56.100 -1.090 0.000 0.975 486 R CB -0.242 29.469 30.300 -0.982 0.000 0.866 486 R HN 0.047 nan 8.270 nan 0.000 0.446 487 E N -0.313 119.823 120.200 -0.108 0.000 2.427 487 E HA -0.078 4.271 4.350 -0.001 0.000 0.196 487 E C 1.563 178.234 176.600 0.119 0.000 1.028 487 E CA 1.359 57.770 56.400 0.018 0.000 0.864 487 E CB 0.337 30.050 29.700 0.022 0.000 0.813 487 E HN 0.526 nan 8.360 nan 0.000 0.514 488 T N -3.219 111.458 114.554 0.205 0.000 3.065 488 T HA -0.013 4.337 4.350 -0.001 0.000 0.252 488 T C 0.473 175.377 174.700 0.339 0.000 1.099 488 T CA -0.339 61.927 62.100 0.277 0.000 1.063 488 T CB -0.133 68.934 68.868 0.331 0.000 0.948 488 T HN -0.075 nan 8.240 nan 0.000 0.506 489 W N 1.178 122.537 121.300 0.097 0.000 2.261 489 W HA 0.731 5.391 4.660 -0.001 0.000 0.323 489 W C 1.496 178.078 176.519 0.105 0.000 1.243 489 W CA -0.783 56.646 57.345 0.140 0.000 1.210 489 W CB 0.853 30.433 29.460 0.200 0.000 1.149 489 W HN 0.148 nan 8.180 nan 0.000 0.562 490 A N 1.490 124.466 122.820 0.259 0.000 1.873 490 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 490 A C 0.687 178.399 177.584 0.213 0.000 1.186 490 A CA 1.573 53.716 52.037 0.176 0.000 0.616 490 A CB -0.439 18.622 19.000 0.103 0.000 0.823 490 A HN 0.493 nan 8.150 nan 0.000 0.442 491 D N -0.679 119.903 120.400 0.303 0.000 2.454 491 D HA 0.309 4.948 4.640 -0.001 0.000 0.225 491 D C 0.580 177.083 176.300 0.339 0.000 1.081 491 D CA -0.311 53.856 54.000 0.278 0.000 0.864 491 D CB 0.786 41.741 40.800 0.258 0.000 1.040 491 D HN 0.224 nan 8.370 nan 0.000 0.517 492 K N 1.846 122.381 120.400 0.224 0.000 2.283 492 K HA -0.075 4.244 4.320 -0.001 0.000 0.202 492 K C 1.109 177.798 176.600 0.148 0.000 1.048 492 K CA 0.647 57.033 56.287 0.165 0.000 0.948 492 K CB 0.562 33.113 32.500 0.086 0.000 0.742 492 K HN 0.361 nan 8.250 nan 0.000 0.458 493 E N 0.641 120.924 120.200 0.139 0.000 2.122 493 E HA -0.034 4.316 4.350 -0.001 0.000 0.190 493 E C 1.993 178.656 176.600 0.106 0.000 0.977 493 E CA 0.738 57.200 56.400 0.103 0.000 0.820 493 E CB -0.078 29.674 29.700 0.086 0.000 0.770 493 E HN 0.265 nan 8.360 nan 0.000 0.462 494 A N 0.493 123.418 122.820 0.175 0.000 1.969 494 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 494 A C 2.107 179.729 177.584 0.063 0.000 1.169 494 A CA 1.252 53.415 52.037 0.210 0.000 0.635 494 A CB -0.696 18.527 19.000 0.372 0.000 0.810 494 A HN 0.342 nan 8.150 nan 0.000 0.445 495 Y N 1.236 121.401 120.300 -0.225 0.000 2.114 495 Y HA -0.221 4.328 4.550 -0.001 0.000 0.284 495 Y C 1.877 177.515 175.900 -0.435 0.000 1.143 495 Y CA 2.066 59.638 58.100 -0.880 0.000 1.135 495 Y CB -0.195 37.708 38.460 -0.929 0.000 0.980 495 Y HN 0.339 nan 8.280 nan 0.000 0.499 496 D N 0.109 120.456 120.400 -0.088 0.000 2.123 496 D HA -0.257 4.382 4.640 -0.001 0.000 0.196 496 D C 2.078 178.284 176.300 -0.157 0.000 0.992 496 D CA 1.737 55.686 54.000 -0.085 0.000 0.833 496 D CB -0.500 40.314 40.800 0.025 0.000 0.954 496 D HN 0.603 nan 8.370 nan 0.000 0.455 497 Q N 0.242 119.982 119.800 -0.100 0.000 2.079 497 Q HA -0.227 4.113 4.340 -0.001 0.000 0.200 497 Q C 2.121 178.078 176.000 -0.072 0.000 0.974 497 Q CA 1.435 57.206 55.803 -0.053 0.000 0.840 497 Q CB 0.036 28.784 28.738 0.016 0.000 0.898 497 Q HN 0.092 nan 8.270 nan 0.000 0.430 498 Q N 0.024 119.748 119.800 -0.128 0.000 2.119 498 Q HA -0.089 4.251 4.340 -0.001 0.000 0.201 498 Q C 1.799 177.714 176.000 -0.141 0.000 0.972 498 Q CA 1.763 57.534 55.803 -0.055 0.000 0.847 498 Q CB -0.352 28.376 28.738 -0.017 0.000 0.903 498 Q HN 0.476 nan 8.270 nan 0.000 0.433 499 A N 0.503 123.106 122.820 -0.360 0.000 1.933 499 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 499 A C 2.039 179.520 177.584 -0.172 0.000 1.175 499 A CA 1.440 53.318 52.037 -0.266 0.000 0.628 499 A CB -0.424 18.344 19.000 -0.387 0.000 0.814 499 A HN 0.381 nan 8.150 nan 0.000 0.444 500 R N -0.469 119.932 120.500 -0.165 0.000 2.092 500 R HA -0.090 4.249 4.340 -0.001 0.000 0.231 500 R C 2.313 178.564 176.300 -0.082 0.000 1.119 500 R CA 1.398 57.415 56.100 -0.138 0.000 0.970 500 R CB -0.292 29.947 30.300 -0.102 0.000 0.864 500 R HN 0.628 nan 8.270 nan 0.000 0.440 501 K N 1.035 121.408 120.400 -0.044 0.000 2.002 501 K HA -0.173 4.146 4.320 -0.001 0.000 0.209 501 K C 2.071 178.650 176.600 -0.034 0.000 1.048 501 K CA 1.195 57.480 56.287 -0.003 0.000 0.930 501 K CB -0.145 32.393 32.500 0.063 0.000 0.714 501 K HN 0.008 nan 8.250 nan 0.000 0.438 502 L N 1.190 122.370 121.223 -0.072 0.000 2.046 502 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 502 L C 2.229 179.206 176.870 0.178 0.000 1.077 502 L CA 2.088 56.887 54.840 -0.069 0.000 0.747 502 L CB -0.870 41.179 42.059 -0.016 0.000 0.896 502 L HN 0.287 nan 8.230 nan 0.000 0.432 503 A N -0.448 122.401 122.820 0.049 0.000 1.908 503 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 503 A C 2.438 180.051 177.584 0.050 0.000 1.181 503 A CA 1.893 53.900 52.037 -0.051 0.000 0.627 503 A CB -0.545 18.250 19.000 -0.342 0.000 0.818 503 A HN 0.500 nan 8.150 nan 0.000 0.445 504 R N -0.685 119.821 120.500 0.010 0.000 2.115 504 R HA 0.019 4.359 4.340 -0.001 0.000 0.230 504 R C 2.018 178.346 176.300 0.047 0.000 1.111 504 R CA 1.164 57.274 56.100 0.017 0.000 0.976 504 R CB -0.428 29.871 30.300 -0.001 0.000 0.870 504 R HN 0.516 nan 8.270 nan 0.000 0.445 505 L N -0.640 120.625 121.223 0.070 0.000 2.046 505 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 505 L C 2.020 178.859 176.870 -0.050 0.000 1.077 505 L CA 1.335 56.201 54.840 0.044 0.000 0.747 505 L CB -0.358 41.752 42.059 0.085 0.000 0.896 505 L HN 0.118 nan 8.230 nan 0.000 0.432 506 F N 0.026 119.988 119.950 0.020 0.000 2.102 506 F HA -0.269 4.258 4.527 -0.001 0.000 0.298 506 F C 2.854 178.650 175.800 -0.007 0.000 1.105 506 F CA 1.695 59.709 58.000 0.023 0.000 1.239 506 F CB -0.383 38.770 39.000 0.256 0.000 0.991 506 F HN 0.107 nan 8.300 nan 0.000 0.474 507 Q N 0.402 120.334 119.800 0.221 0.000 2.096 507 Q HA -0.236 4.104 4.340 -0.001 0.000 0.204 507 Q C 1.991 178.052 176.000 0.102 0.000 0.982 507 Q CA 1.998 57.893 55.803 0.153 0.000 0.850 507 Q CB -0.104 28.672 28.738 0.064 0.000 0.901 507 Q HN 0.510 nan 8.270 nan 0.000 0.422 508 E N 0.121 120.325 120.200 0.008 0.000 2.047 508 E HA -0.195 4.154 4.350 -0.001 0.000 0.191 508 E C 1.828 178.366 176.600 -0.103 0.000 0.987 508 E CA 1.179 57.556 56.400 -0.038 0.000 0.799 508 E CB -0.211 29.456 29.700 -0.056 0.000 0.752 508 E HN 0.366 nan 8.360 nan 0.000 0.449 509 N N 0.673 119.224 118.700 -0.249 0.000 2.104 509 N HA -0.212 4.527 4.740 -0.001 0.000 0.190 509 N C 1.577 177.002 175.510 -0.142 0.000 1.024 509 N CA 0.947 53.775 53.050 -0.369 0.000 0.853 509 N CB -0.254 37.634 38.487 -0.999 0.000 1.008 509 N HN 0.077 nan 8.380 nan 0.000 0.424 510 F N 1.178 121.036 119.950 -0.154 0.000 2.216 510 F HA -0.123 4.403 4.527 -0.001 0.000 0.300 510 F C 2.235 178.031 175.800 -0.005 0.000 1.085 510 F CA 1.148 59.133 58.000 -0.026 0.000 1.326 510 F CB -0.265 38.743 39.000 0.014 0.000 1.027 510 F HN 0.100 nan 8.300 nan 0.000 0.497 511 Q N 0.908 120.715 119.800 0.011 0.000 2.133 511 Q HA -0.262 4.077 4.340 -0.001 0.000 0.208 511 Q C 2.076 177.955 176.000 -0.203 0.000 0.991 511 Q CA 2.003 57.770 55.803 -0.060 0.000 0.867 511 Q CB -0.635 28.089 28.738 -0.023 0.000 0.911 511 Q HN 0.466 nan 8.270 nan 0.000 0.417 512 K N -0.685 119.517 120.400 -0.330 0.000 2.360 512 K HA -0.149 4.170 4.320 -0.001 0.000 0.201 512 K C 1.313 177.600 176.600 -0.522 0.000 1.046 512 K CA 1.115 57.133 56.287 -0.449 0.000 0.940 512 K CB -0.038 32.041 32.500 -0.703 0.000 0.748 512 K HN 0.260 nan 8.250 nan 0.000 0.465 513 Y N -1.097 119.036 120.300 -0.279 0.000 2.430 513 Y HA 0.303 4.852 4.550 -0.001 0.000 0.248 513 Y C 2.030 177.679 175.900 -0.419 0.000 1.108 513 Y CA -0.301 57.578 58.100 -0.368 0.000 1.264 513 Y CB -0.168 37.961 38.460 -0.553 0.000 1.172 513 Y HN -0.060 nan 8.280 nan 0.000 0.520 514 A N 0.797 123.359 122.820 -0.429 0.000 1.896 514 A HA -0.336 3.984 4.320 -0.001 0.000 0.220 514 A C 2.447 179.964 177.584 -0.112 0.000 1.206 514 A CA 2.902 54.762 52.037 -0.296 0.000 0.647 514 A CB -1.269 17.684 19.000 -0.079 0.000 0.828 514 A HN 0.482 nan 8.150 nan 0.000 0.455 515 S N -1.064 114.591 115.700 -0.075 0.000 2.440 515 S HA 0.054 4.523 4.470 -0.001 0.000 0.238 515 S C 1.538 176.033 174.600 -0.175 0.000 1.010 515 S CA 1.394 59.553 58.200 -0.069 0.000 0.972 515 S CB -0.689 62.502 63.200 -0.015 0.000 0.774 515 S HN 0.982 nan 8.310 nan 0.000 0.501 516 G N 0.245 108.853 108.800 -0.319 0.000 3.393 516 G HA2 0.509 4.469 3.960 -0.001 0.000 0.255 516 G HA3 0.509 4.469 3.960 -0.001 0.000 0.255 516 G C -0.203 174.483 174.900 -0.356 0.000 1.097 516 G CA -0.161 44.528 45.100 -0.685 0.000 0.780 516 G HN 0.397 nan 8.290 nan 0.000 0.540 517 V N 0.712 120.543 119.914 -0.137 0.000 2.769 517 V HA 0.743 4.863 4.120 -0.001 0.000 0.312 517 V C 0.606 176.726 176.094 0.043 0.000 1.061 517 V CA -1.278 61.016 62.300 -0.009 0.000 0.931 517 V CB 1.467 33.335 31.823 0.074 0.000 1.010 517 V HN 0.323 nan 8.190 nan 0.000 0.433 518 A N 3.258 126.109 122.820 0.052 0.000 2.507 518 A HA 0.194 4.513 4.320 -0.001 0.000 0.235 518 A C 1.361 179.000 177.584 0.092 0.000 1.070 518 A CA 0.415 52.480 52.037 0.046 0.000 0.768 518 A CB 0.068 19.085 19.000 0.029 0.000 1.011 518 A HN 1.048 nan 8.150 nan 0.000 0.502 519 K N 1.047 121.483 120.400 0.060 0.000 2.148 519 K HA -0.188 4.131 4.320 -0.001 0.000 0.204 519 K C 1.285 177.914 176.600 0.048 0.000 1.050 519 K CA 1.635 57.961 56.287 0.066 0.000 0.942 519 K CB -0.274 32.247 32.500 0.034 0.000 0.724 519 K HN 0.871 nan 8.250 nan 0.000 0.446 520 E N 1.646 121.864 120.200 0.031 0.000 2.153 520 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 520 E C 1.883 178.496 176.600 0.022 0.000 0.988 520 E CA 1.274 57.681 56.400 0.011 0.000 0.811 520 E CB -0.396 29.306 29.700 0.003 0.000 0.746 520 E HN 0.134 nan 8.360 nan 0.000 0.466 521 V N 1.708 121.668 119.914 0.076 0.000 2.323 521 V HA -0.161 3.959 4.120 -0.001 0.000 0.244 521 V C 2.608 178.739 176.094 0.063 0.000 1.041 521 V CA 1.657 64.031 62.300 0.124 0.000 1.025 521 V CB -0.690 31.268 31.823 0.226 0.000 0.656 521 V HN 0.483 nan 8.190 nan 0.000 0.451 522 A N -0.270 122.604 122.820 0.090 0.000 2.024 522 A HA -0.233 4.086 4.320 -0.001 0.000 0.220 522 A C 2.075 179.532 177.584 -0.211 0.000 1.164 522 A CA 1.805 53.764 52.037 -0.129 0.000 0.643 522 A CB -0.443 18.705 19.000 0.247 0.000 0.806 522 A HN 0.659 nan 8.150 nan 0.000 0.451 523 E N -0.657 119.469 120.200 -0.123 0.000 2.435 523 E HA 0.149 4.499 4.350 -0.001 0.000 0.195 523 E C 1.652 178.121 176.600 -0.219 0.000 1.029 523 E CA 0.432 56.744 56.400 -0.148 0.000 0.865 523 E CB -0.044 29.607 29.700 -0.082 0.000 0.833 523 E HN 0.602 nan 8.360 nan 0.000 0.510 524 A N 1.333 123.995 122.820 -0.263 0.000 2.251 524 A HA 0.224 4.543 4.320 -0.001 0.000 0.209 524 A C 1.228 178.436 177.584 -0.626 0.000 1.187 524 A CA 0.223 52.079 52.037 -0.302 0.000 0.823 524 A CB -0.091 18.818 19.000 -0.151 0.000 0.846 524 A HN 0.197 nan 8.150 nan 0.000 0.486 525 G N 0.415 108.655 108.800 -0.934 0.000 2.634 525 G HA2 0.435 4.394 3.960 -0.001 0.000 0.255 525 G HA3 0.435 4.394 3.960 -0.001 0.000 0.255 525 G C -2.601 171.855 174.900 -0.738 0.000 1.205 525 G CA -0.978 43.283 45.100 -1.399 0.000 0.884 525 G HN 0.175 nan 8.290 nan 0.000 0.549 526 P HA 0.138 nan 4.420 nan 0.000 0.269 526 P C -0.041 176.992 177.300 -0.446 0.000 1.209 526 P CA -0.118 62.630 63.100 -0.587 0.000 0.776 526 P CB 0.547 31.825 31.700 -0.704 0.000 0.876 527 R N 1.372 121.609 120.500 -0.437 0.000 2.298 527 R HA 0.282 4.621 4.340 -0.001 0.000 0.310 527 R C 0.618 176.754 176.300 -0.274 0.000 1.068 527 R CA -0.022 55.897 56.100 -0.302 0.000 0.957 527 R CB 0.400 30.549 30.300 -0.252 0.000 1.003 527 R HN 0.480 nan 8.270 nan 0.000 0.454 528 T N 0.000 114.439 114.554 -0.192 0.000 3.816 528 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 528 T CA 0.000 62.013 62.100 -0.146 0.000 1.349 528 T CB 0.000 68.808 68.868 -0.100 0.000 0.612 528 T HN 0.000 nan 8.240 nan 0.000 0.658