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 3bh4_1_B DATA FIRST_RESID 2 DATA SEQUENCE VNGTLMQYFE WYTPNDGQHW KRLQNDAEHL SDIGITAVWI PPAYKGLSQS DATA SEQUENCE DNGYGPYDLY DLGEFQQKGT VRTKYGTKSE LQDAIGSLHS RNVQVYGDVV DATA SEQUENCE LNHKAGADAT EDVTAVEVNP ANRNQETSEE YQIKAWTDFR FPGRGNTYSD DATA SEQUENCE FKWHWYHFDG ADWDESRKIS RIFKFRGEGK AWDWEVSSEN GNYDYLMYAD DATA SEQUENCE VDYDHPDVVA ETKKWGIWYA NELSLDGFRI DAAKHIKFSF LRDWVQAVRQ DATA SEQUENCE ATGKEMFTVA EYWQNNAGKL ENYLNKTSFN QSVFDVPLHF NLQAASSQGG DATA SEQUENCE GYDMRRLLDG TVVSRHPEKA VTFVENHDTQ PGQSLESTVQ TWFKPLAYAF DATA SEQUENCE ILTRESGYPQ VFYGDMYGTK GTSPKEIPSL KDNIEPILKA RKEYAYGPQH DATA SEQUENCE DYIDHPDVIG WTREGDSSAA KSGLAALITD GPGGSKRMYA GLKNAGETWY DATA SEQUENCE DITGNRSDTV KIGSDGWGEF HVNDGSVSIY VQK 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.181 176.094 0.146 0.000 1.182 2 V CA 0.000 62.376 62.300 0.126 0.000 1.235 2 V CB 0.000 31.857 31.823 0.056 0.000 1.184 3 N N 1.854 120.677 118.700 0.206 0.000 2.454 3 N HA 0.308 5.048 4.740 -0.000 0.000 0.254 3 N C 0.312 175.834 175.510 0.020 0.000 1.228 3 N CA 0.791 53.864 53.050 0.039 0.000 0.900 3 N CB 1.472 39.904 38.487 -0.092 0.000 1.089 3 N HN 1.053 nan 8.380 nan 0.000 0.449 4 G N 0.159 108.947 108.800 -0.021 0.000 2.400 4 G HA2 0.507 4.466 3.960 -0.000 0.000 0.301 4 G HA3 0.507 4.466 3.960 -0.000 0.000 0.301 4 G C -0.677 174.326 174.900 0.172 0.000 1.154 4 G CA -0.278 44.827 45.100 0.009 0.000 0.852 4 G HN 0.385 nan 8.290 nan 0.000 0.511 5 T N 1.503 116.191 114.554 0.223 0.000 2.928 5 T HA 0.373 4.722 4.350 -0.000 0.000 0.296 5 T C -0.794 174.027 174.700 0.202 0.000 1.000 5 T CA -0.407 61.836 62.100 0.237 0.000 0.989 5 T CB 1.729 70.673 68.868 0.126 0.000 1.005 5 T HN 0.452 nan 8.240 nan 0.000 0.442 6 L N 3.371 124.671 121.223 0.128 0.000 2.379 6 L HA 0.826 5.166 4.340 -0.000 0.000 0.269 6 L C -0.544 176.418 176.870 0.152 0.000 1.084 6 L CA -0.580 54.293 54.840 0.054 0.000 0.802 6 L CB 1.226 43.197 42.059 -0.146 0.000 1.175 6 L HN 0.811 nan 8.230 nan 0.000 0.448 7 M N 4.205 123.919 119.600 0.190 0.000 2.204 7 M HA 0.356 4.836 4.480 -0.000 0.000 0.293 7 M C -1.186 175.301 176.300 0.312 0.000 0.994 7 M CA -0.457 54.985 55.300 0.236 0.000 0.925 7 M CB 1.455 34.173 32.600 0.196 0.000 1.577 7 M HN 0.749 nan 8.290 nan 0.000 0.439 8 Q N 3.346 123.316 119.800 0.282 0.000 2.296 8 Q HA 0.062 4.401 4.340 -0.000 0.000 0.263 8 Q C -1.667 174.350 176.000 0.030 0.000 1.026 8 Q CA -0.001 55.813 55.803 0.018 0.000 0.912 8 Q CB 0.611 29.186 28.738 -0.273 0.000 1.198 8 Q HN 0.809 nan 8.270 nan 0.000 0.407 9 Y N 7.560 127.876 120.300 0.026 0.000 2.832 9 Y HA 0.257 4.807 4.550 -0.000 0.000 0.372 9 Y C -1.452 174.552 175.900 0.173 0.000 1.238 9 Y CA -0.564 57.653 58.100 0.195 0.000 1.713 9 Y CB -0.183 38.402 38.460 0.208 0.000 1.809 9 Y HN 0.556 nan 8.280 nan 0.000 0.472 10 F N -0.672 118.916 119.950 -0.605 0.000 2.890 10 F HA 0.495 5.022 4.527 -0.000 0.000 0.326 10 F C -1.824 173.647 175.800 -0.548 0.000 1.143 10 F CA -1.702 55.783 58.000 -0.859 0.000 0.906 10 F CB 0.606 39.212 39.000 -0.656 0.000 1.303 10 F HN 0.046 nan 8.300 nan 0.000 0.447 11 E N 1.344 121.324 120.200 -0.367 0.000 2.410 11 E HA 0.279 4.629 4.350 -0.000 0.000 0.269 11 E C -0.262 176.416 176.600 0.130 0.000 0.937 11 E CA -0.985 55.396 56.400 -0.032 0.000 0.793 11 E CB 1.577 31.280 29.700 0.007 0.000 1.314 11 E HN 0.816 nan 8.360 nan 0.000 0.447 12 W N 0.988 122.344 121.300 0.092 0.000 2.342 12 W HA -0.164 4.496 4.660 -0.000 0.000 0.297 12 W C -0.212 176.113 176.519 -0.323 0.000 1.213 12 W CA 1.200 58.474 57.345 -0.118 0.000 1.251 12 W CB 0.101 29.359 29.460 -0.337 0.000 1.136 12 W HN 0.664 nan 8.180 nan 0.000 0.526 13 Y N 0.753 121.162 120.300 0.183 0.000 2.583 13 Y HA 0.148 4.698 4.550 -0.000 0.000 0.294 13 Y C 1.014 176.888 175.900 -0.042 0.000 1.170 13 Y CA 0.250 58.392 58.100 0.069 0.000 1.265 13 Y CB -0.780 37.770 38.460 0.150 0.000 1.119 13 Y HN -0.414 nan 8.280 nan 0.000 0.522 14 T N 5.147 119.663 114.554 -0.064 0.000 2.934 14 T HA 0.016 4.366 4.350 -0.000 0.000 0.306 14 T C -2.169 172.432 174.700 -0.165 0.000 1.042 14 T CA -0.825 61.169 62.100 -0.177 0.000 1.145 14 T CB 0.382 68.981 68.868 -0.447 0.000 0.982 14 T HN 0.112 nan 8.240 nan 0.000 0.544 15 P HA 0.100 nan 4.420 nan 0.000 0.271 15 P C -0.270 176.916 177.300 -0.191 0.000 1.218 15 P CA -0.460 62.577 63.100 -0.105 0.000 0.780 15 P CB 0.525 32.196 31.700 -0.048 0.000 0.901 16 N N 1.922 120.510 118.700 -0.187 0.000 3.303 16 N HA -0.013 4.727 4.740 -0.000 0.000 0.304 16 N C 0.098 175.509 175.510 -0.166 0.000 1.302 16 N CA -0.175 52.732 53.050 -0.238 0.000 1.213 16 N CB -0.748 37.606 38.487 -0.222 0.000 1.481 16 N HN 0.234 nan 8.380 nan 0.000 0.546 17 D N -0.294 120.019 120.400 -0.145 0.000 2.398 17 D HA 0.168 4.808 4.640 -0.000 0.000 0.210 17 D C 1.179 177.425 176.300 -0.091 0.000 1.094 17 D CA 0.128 54.073 54.000 -0.093 0.000 0.839 17 D CB -0.464 40.303 40.800 -0.056 0.000 0.963 17 D HN 0.256 nan 8.370 nan 0.000 0.506 18 G N 0.841 109.556 108.800 -0.143 0.000 2.168 18 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 18 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 18 G C 0.775 175.631 174.900 -0.074 0.000 0.997 18 G CA 0.389 45.410 45.100 -0.130 0.000 0.708 18 G HN 0.363 nan 8.290 nan 0.000 0.520 19 Q N -1.040 118.731 119.800 -0.047 0.000 2.198 19 Q HA 0.204 4.544 4.340 -0.000 0.000 0.209 19 Q C 1.475 177.506 176.000 0.051 0.000 0.848 19 Q CA 0.185 55.994 55.803 0.010 0.000 0.974 19 Q CB 0.220 28.968 28.738 0.017 0.000 1.115 19 Q HN 0.723 nan 8.270 nan 0.000 0.494 20 H N -0.385 118.606 119.070 -0.132 0.000 2.357 20 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 20 H C 1.318 176.688 175.328 0.069 0.000 1.082 20 H CA 1.770 57.759 56.048 -0.099 0.000 1.342 20 H CB 0.031 29.652 29.762 -0.234 0.000 1.389 20 H HN 0.286 nan 8.280 nan 0.000 0.511 21 W N 0.455 121.797 121.300 0.070 0.000 2.363 21 W HA -0.147 4.513 4.660 -0.000 0.000 0.296 21 W C 2.437 178.915 176.519 -0.068 0.000 1.212 21 W CA 0.570 57.894 57.345 -0.036 0.000 1.260 21 W CB 0.056 29.513 29.460 -0.004 0.000 1.131 21 W HN 0.110 nan 8.180 nan 0.000 0.530 22 K N 1.264 121.779 120.400 0.192 0.000 2.097 22 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 22 K C 1.871 178.501 176.600 0.051 0.000 1.050 22 K CA 1.338 57.681 56.287 0.093 0.000 0.938 22 K CB -0.348 32.194 32.500 0.070 0.000 0.718 22 K HN -0.045 nan 8.250 nan 0.000 0.442 23 R N -0.185 120.343 120.500 0.048 0.000 2.081 23 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 23 R C 2.199 178.526 176.300 0.046 0.000 1.131 23 R CA 1.474 57.605 56.100 0.052 0.000 0.960 23 R CB -0.586 29.762 30.300 0.080 0.000 0.856 23 R HN 0.192 nan 8.270 nan 0.000 0.436 24 L N 1.405 122.611 121.223 -0.028 0.000 2.017 24 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 24 L C 2.428 179.184 176.870 -0.190 0.000 1.073 24 L CA 1.832 56.502 54.840 -0.282 0.000 0.745 24 L CB -0.715 41.152 42.059 -0.321 0.000 0.894 24 L HN 0.172 nan 8.230 nan 0.000 0.432 25 Q N -0.413 119.333 119.800 -0.089 0.000 2.096 25 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 25 Q C 1.906 177.874 176.000 -0.053 0.000 0.982 25 Q CA 2.394 58.151 55.803 -0.077 0.000 0.850 25 Q CB -0.265 28.448 28.738 -0.041 0.000 0.901 25 Q HN 0.734 nan 8.270 nan 0.000 0.422 26 N N -0.130 118.556 118.700 -0.024 0.000 2.381 26 N HA -0.119 4.621 4.740 -0.000 0.000 0.182 26 N C 0.785 176.300 175.510 0.010 0.000 1.025 26 N CA 0.733 53.779 53.050 -0.007 0.000 0.888 26 N CB 0.072 38.559 38.487 -0.000 0.000 0.965 26 N HN 0.220 nan 8.380 nan 0.000 0.438 27 D N 0.259 120.666 120.400 0.013 0.000 2.350 27 D HA 0.183 4.823 4.640 -0.000 0.000 0.213 27 D C 1.666 177.990 176.300 0.040 0.000 1.031 27 D CA -0.041 54.010 54.000 0.085 0.000 0.861 27 D CB 0.120 41.026 40.800 0.176 0.000 0.926 27 D HN 0.162 nan 8.370 nan 0.000 0.520 28 A N 0.772 123.567 122.820 -0.041 0.000 1.892 28 A HA -0.263 4.056 4.320 -0.000 0.000 0.218 28 A C 2.101 179.675 177.584 -0.018 0.000 1.188 28 A CA 1.948 53.947 52.037 -0.064 0.000 0.631 28 A CB -0.659 18.291 19.000 -0.083 0.000 0.822 28 A HN 0.390 nan 8.150 nan 0.000 0.447 29 E N -1.110 119.099 120.200 0.015 0.000 2.038 29 E HA -0.292 4.058 4.350 -0.000 0.000 0.195 29 E C 2.015 178.660 176.600 0.076 0.000 1.000 29 E CA 1.347 57.766 56.400 0.032 0.000 0.803 29 E CB -0.452 29.269 29.700 0.035 0.000 0.750 29 E HN 0.858 nan 8.360 nan 0.000 0.448 30 H N 0.728 119.803 119.070 0.008 0.000 2.290 30 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 30 H C 2.346 177.694 175.328 0.032 0.000 1.087 30 H CA 1.802 57.867 56.048 0.028 0.000 1.291 30 H CB -0.131 29.664 29.762 0.055 0.000 1.369 30 H HN 0.214 nan 8.280 nan 0.000 0.492 31 L N 0.809 121.934 121.223 -0.165 0.000 2.042 31 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 31 L C 3.110 179.903 176.870 -0.129 0.000 1.076 31 L CA 1.542 56.251 54.840 -0.219 0.000 0.749 31 L CB -0.635 41.364 42.059 -0.101 0.000 0.893 31 L HN 0.419 nan 8.230 nan 0.000 0.432 32 S N -1.027 114.632 115.700 -0.069 0.000 2.383 32 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 32 S C 1.574 176.153 174.600 -0.034 0.000 1.026 32 S CA 1.243 59.416 58.200 -0.044 0.000 0.981 32 S CB -0.385 62.797 63.200 -0.029 0.000 0.818 32 S HN 0.369 nan 8.310 nan 0.000 0.472 33 D N 2.416 122.803 120.400 -0.021 0.000 2.144 33 D HA -0.019 4.621 4.640 -0.000 0.000 0.200 33 D C 1.921 178.215 176.300 -0.011 0.000 0.978 33 D CA 1.442 55.443 54.000 0.001 0.000 0.833 33 D CB -0.396 40.431 40.800 0.046 0.000 0.961 33 D HN 0.772 nan 8.370 nan 0.000 0.470 34 I N -3.592 116.944 120.570 -0.056 0.000 3.428 34 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 34 I C 1.307 177.398 176.117 -0.044 0.000 1.287 34 I CA 0.735 62.001 61.300 -0.057 0.000 1.396 34 I CB 0.179 38.104 38.000 -0.124 0.000 1.062 34 I HN 0.022 nan 8.210 nan 0.000 0.471 35 G N 1.488 110.265 108.800 -0.038 0.000 2.192 35 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.193 35 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.193 35 G C 0.019 174.914 174.900 -0.008 0.000 0.999 35 G CA -0.304 44.788 45.100 -0.014 0.000 0.659 35 G HN 0.224 nan 8.290 nan 0.000 0.503 36 I N 2.793 123.345 120.570 -0.029 0.000 2.533 36 I HA 0.242 4.412 4.170 -0.000 0.000 0.284 36 I C 1.820 177.931 176.117 -0.009 0.000 1.109 36 I CA 1.430 62.724 61.300 -0.010 0.000 1.412 36 I CB 0.730 38.713 38.000 -0.028 0.000 1.396 36 I HN 0.319 nan 8.210 nan 0.000 0.543 37 T N 1.840 116.402 114.554 0.014 0.000 2.985 37 T HA 0.541 4.891 4.350 -0.000 0.000 0.254 37 T C 0.430 175.105 174.700 -0.041 0.000 1.021 37 T CA -0.022 62.076 62.100 -0.004 0.000 0.957 37 T CB 0.562 69.438 68.868 0.013 0.000 1.047 37 T HN 0.673 nan 8.240 nan 0.000 0.511 38 A N 0.551 123.332 122.820 -0.065 0.000 2.547 38 A HA 0.707 5.027 4.320 -0.000 0.000 0.297 38 A C -1.457 176.020 177.584 -0.179 0.000 1.056 38 A CA -0.684 51.207 52.037 -0.244 0.000 0.688 38 A CB 1.862 20.583 19.000 -0.466 0.000 1.282 38 A HN 0.224 nan 8.150 nan 0.000 0.400 39 V N 1.718 121.509 119.914 -0.204 0.000 2.487 39 V HA 0.512 4.632 4.120 -0.000 0.000 0.298 39 V C -0.994 175.184 176.094 0.141 0.000 1.028 39 V CA -0.377 61.925 62.300 0.004 0.000 0.860 39 V CB 1.731 33.536 31.823 -0.030 0.000 0.991 39 V HN 0.975 nan 8.190 nan 0.000 0.427 40 W N 8.393 129.794 121.300 0.169 0.000 2.316 40 W HA 0.688 5.348 4.660 -0.000 0.000 0.308 40 W C -0.385 176.361 176.519 0.377 0.000 1.106 40 W CA -1.808 55.731 57.345 0.323 0.000 1.262 40 W CB 0.525 30.250 29.460 0.441 0.000 1.233 40 W HN 0.611 nan 8.180 nan 0.000 0.447 41 I N 6.350 127.225 120.570 0.507 0.000 2.577 41 I HA 0.611 4.781 4.170 -0.000 0.000 0.300 41 I C -1.842 174.329 176.117 0.088 0.000 0.990 41 I CA -2.640 58.814 61.300 0.257 0.000 1.283 41 I CB 1.205 39.301 38.000 0.160 0.000 1.411 41 I HN 0.218 nan 8.210 nan 0.000 0.515 42 P HA 0.238 nan 4.420 nan 0.000 0.273 42 P C -2.626 174.399 177.300 -0.458 0.000 1.250 42 P CA -1.454 60.960 63.100 -1.143 0.000 0.793 42 P CB -0.642 29.671 31.700 -2.311 0.000 1.011 43 P HA -0.043 nan 4.420 nan 0.000 0.260 43 P C 0.299 177.324 177.300 -0.458 0.000 1.172 43 P CA 0.824 63.603 63.100 -0.535 0.000 0.760 43 P CB -0.185 31.134 31.700 -0.634 0.000 0.773 44 A N 3.428 125.984 122.820 -0.440 0.000 2.308 44 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 44 A C 0.068 177.690 177.584 0.064 0.000 1.216 44 A CA 0.267 52.346 52.037 0.070 0.000 0.864 44 A CB -0.698 18.427 19.000 0.208 0.000 0.902 44 A HN 0.566 nan 8.150 nan 0.000 0.499 45 Y N -2.262 118.198 120.300 0.266 0.000 2.488 45 Y HA 0.698 5.248 4.550 -0.000 0.000 0.325 45 Y C 0.303 176.293 175.900 0.150 0.000 1.204 45 Y CA -2.669 55.559 58.100 0.213 0.000 1.229 45 Y CB 0.351 38.884 38.460 0.121 0.000 1.274 45 Y HN -0.115 nan 8.280 nan 0.000 0.493 46 K N 1.286 121.902 120.400 0.361 0.000 2.453 46 K HA 0.303 4.623 4.320 -0.000 0.000 0.280 46 K C 0.190 176.946 176.600 0.261 0.000 1.045 46 K CA 0.581 57.036 56.287 0.281 0.000 1.059 46 K CB -0.172 32.542 32.500 0.357 0.000 0.901 46 K HN 0.959 nan 8.250 nan 0.000 0.475 47 G N 3.042 111.922 108.800 0.134 0.000 2.537 47 G HA2 0.221 4.181 3.960 -0.000 0.000 0.297 47 G HA3 0.221 4.181 3.960 -0.000 0.000 0.297 47 G C 0.677 175.615 174.900 0.062 0.000 1.310 47 G CA -0.469 44.681 45.100 0.083 0.000 1.027 47 G HN 0.640 nan 8.290 nan 0.000 0.505 48 L N -0.942 120.272 121.223 -0.014 0.000 2.353 48 L HA 0.165 4.505 4.340 -0.000 0.000 0.220 48 L C 0.730 177.525 176.870 -0.126 0.000 1.133 48 L CA 1.555 56.340 54.840 -0.091 0.000 0.798 48 L CB -2.307 39.663 42.059 -0.149 0.000 0.922 48 L HN 0.595 nan 8.230 nan 0.000 0.445 49 S N -2.176 113.468 115.700 -0.094 0.000 2.625 49 S HA 0.259 4.729 4.470 -0.000 0.000 0.271 49 S C 0.466 175.006 174.600 -0.101 0.000 1.161 49 S CA -0.220 57.919 58.200 -0.102 0.000 0.820 49 S CB 1.763 64.903 63.200 -0.100 0.000 1.137 49 S HN 0.202 nan 8.310 nan 0.000 0.470 50 Q N 0.814 120.552 119.800 -0.104 0.000 2.119 50 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 50 Q C 1.735 177.618 176.000 -0.195 0.000 0.972 50 Q CA 2.062 57.789 55.803 -0.126 0.000 0.847 50 Q CB -0.319 28.356 28.738 -0.106 0.000 0.903 50 Q HN 0.908 nan 8.270 nan 0.000 0.433 51 S N -0.439 115.155 115.700 -0.176 0.000 2.561 51 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 51 S C 0.311 174.761 174.600 -0.251 0.000 0.977 51 S CA 0.242 58.312 58.200 -0.216 0.000 0.926 51 S CB -0.120 62.991 63.200 -0.148 0.000 0.769 51 S HN 0.345 nan 8.310 nan 0.000 0.533 52 D N 1.874 122.152 120.400 -0.204 0.000 2.443 52 D HA 0.130 4.769 4.640 -0.000 0.000 0.239 52 D C 0.774 176.891 176.300 -0.306 0.000 1.136 52 D CA 0.088 53.978 54.000 -0.182 0.000 0.879 52 D CB 0.428 41.167 40.800 -0.101 0.000 1.195 52 D HN -0.025 nan 8.370 nan 0.000 0.443 53 N N 2.078 120.583 118.700 -0.325 0.000 2.550 53 N HA 0.080 4.820 4.740 -0.000 0.000 0.186 53 N C 1.167 176.476 175.510 -0.335 0.000 1.110 53 N CA 0.905 53.713 53.050 -0.403 0.000 0.912 53 N CB 0.525 38.684 38.487 -0.547 0.000 0.968 53 N HN 0.669 nan 8.380 nan 0.000 0.448 54 G N -1.003 107.625 108.800 -0.287 0.000 2.231 54 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 54 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 54 G C 0.304 174.996 174.900 -0.345 0.000 0.996 54 G CA -0.258 44.636 45.100 -0.344 0.000 0.645 54 G HN 0.341 nan 8.290 nan 0.000 0.498 55 Y N 1.267 121.647 120.300 0.134 0.000 2.471 55 Y HA 0.456 5.006 4.550 -0.000 0.000 0.286 55 Y C 1.929 178.024 175.900 0.326 0.000 1.188 55 Y CA 0.398 58.646 58.100 0.247 0.000 1.286 55 Y CB 0.752 39.402 38.460 0.316 0.000 1.072 55 Y HN 0.369 nan 8.280 nan 0.000 0.517 56 G N 1.721 110.656 108.800 0.226 0.000 5.001 56 G HA2 0.218 4.178 3.960 -0.000 0.000 0.304 56 G HA3 0.218 4.178 3.960 -0.000 0.000 0.304 56 G C -2.885 171.989 174.900 -0.044 0.000 1.400 56 G CA -1.278 43.832 45.100 0.017 0.000 1.029 56 G HN -0.117 nan 8.290 nan 0.000 0.584 57 P HA -0.025 nan 4.420 nan 0.000 0.267 57 P C -0.421 176.876 177.300 -0.004 0.000 1.209 57 P CA -0.077 63.031 63.100 0.013 0.000 0.763 57 P CB 1.786 33.445 31.700 -0.068 0.000 0.816 58 Y N 3.599 123.903 120.300 0.006 0.000 2.284 58 Y HA 0.220 4.770 4.550 -0.000 0.000 0.293 58 Y C 0.176 176.185 175.900 0.181 0.000 1.140 58 Y CA 0.835 59.019 58.100 0.140 0.000 1.153 58 Y CB 0.300 38.866 38.460 0.176 0.000 1.114 58 Y HN 0.217 nan 8.280 nan 0.000 0.521 59 D N 0.190 120.559 120.400 -0.052 0.000 2.473 59 D HA 0.222 4.862 4.640 -0.000 0.000 0.253 59 D C 0.338 176.510 176.300 -0.214 0.000 1.233 59 D CA -0.165 53.683 54.000 -0.254 0.000 0.908 59 D CB 0.921 41.653 40.800 -0.114 0.000 1.170 59 D HN 0.321 nan 8.370 nan 0.000 0.558 60 L N 2.627 123.501 121.223 -0.581 0.000 2.353 60 L HA -0.099 4.241 4.340 -0.000 0.000 0.220 60 L C 0.923 177.649 176.870 -0.241 0.000 1.133 60 L CA 0.812 55.128 54.840 -0.872 0.000 0.798 60 L CB -0.243 40.640 42.059 -1.961 0.000 0.922 60 L HN 0.495 nan 8.230 nan 0.000 0.445 61 Y N -1.429 118.792 120.300 -0.132 0.000 2.468 61 Y HA 0.085 4.635 4.550 -0.000 0.000 0.268 61 Y C 0.606 176.719 175.900 0.355 0.000 1.177 61 Y CA -0.363 57.713 58.100 -0.040 0.000 1.265 61 Y CB 0.176 38.428 38.460 -0.347 0.000 1.103 61 Y HN 0.000 nan 8.280 nan 0.000 0.522 62 D N 0.635 121.338 120.400 0.506 0.000 2.477 62 D HA 0.207 4.847 4.640 -0.000 0.000 0.239 62 D C -0.350 176.257 176.300 0.510 0.000 1.102 62 D CA -0.141 54.235 54.000 0.626 0.000 0.901 62 D CB 0.251 41.390 40.800 0.564 0.000 1.026 62 D HN 0.199 nan 8.370 nan 0.000 0.515 63 L N 2.912 124.435 121.223 0.500 0.000 2.939 63 L HA 0.336 4.676 4.340 -0.000 0.000 0.239 63 L C 1.307 178.355 176.870 0.296 0.000 1.325 63 L CA -0.247 54.840 54.840 0.413 0.000 1.170 63 L CB -0.277 42.017 42.059 0.391 0.000 1.538 63 L HN 0.646 nan 8.230 nan 0.000 0.452 64 G N 0.901 109.863 108.800 0.269 0.000 2.248 64 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 64 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 64 G C 0.446 175.409 174.900 0.105 0.000 1.082 64 G CA 0.589 45.807 45.100 0.198 0.000 0.863 64 G HN 0.649 nan 8.290 nan 0.000 0.495 65 E N -1.509 118.703 120.200 0.021 0.000 2.441 65 E HA 0.383 4.733 4.350 -0.000 0.000 0.212 65 E C 0.138 176.471 176.600 -0.445 0.000 0.840 65 E CA -0.278 55.962 56.400 -0.266 0.000 1.143 65 E CB 0.462 29.886 29.700 -0.460 0.000 1.153 65 E HN 0.346 nan 8.360 nan 0.000 0.539 66 F N 1.316 121.385 119.950 0.199 0.000 2.523 66 F HA 0.360 4.887 4.527 -0.000 0.000 0.329 66 F C 0.107 175.990 175.800 0.140 0.000 1.061 66 F CA -1.072 57.027 58.000 0.164 0.000 0.967 66 F CB 1.407 40.516 39.000 0.181 0.000 1.218 66 F HN -0.198 nan 8.300 nan 0.000 0.480 67 Q N 2.448 122.438 119.800 0.317 0.000 2.431 67 Q HA 0.270 4.610 4.340 -0.000 0.000 0.234 67 Q C -1.416 174.698 176.000 0.191 0.000 1.203 67 Q CA 0.360 56.279 55.803 0.194 0.000 0.902 67 Q CB -0.061 28.763 28.738 0.143 0.000 1.455 67 Q HN 0.616 nan 8.270 nan 0.000 0.515 68 Q N 2.815 122.722 119.800 0.179 0.000 2.340 68 Q HA 0.364 4.704 4.340 -0.000 0.000 0.276 68 Q C -0.724 175.296 176.000 0.033 0.000 1.048 68 Q CA -1.030 54.856 55.803 0.138 0.000 0.832 68 Q CB 1.694 30.608 28.738 0.294 0.000 1.373 68 Q HN 0.363 nan 8.270 nan 0.000 0.409 69 K N 0.084 120.432 120.400 -0.087 0.000 3.167 69 K HA -0.198 4.122 4.320 -0.000 0.000 0.272 69 K C 0.378 176.935 176.600 -0.072 0.000 1.137 69 K CA 1.017 57.222 56.287 -0.138 0.000 0.800 69 K CB -1.991 30.412 32.500 -0.161 0.000 1.253 69 K HN 1.239 nan 8.250 nan 0.000 0.497 70 G N -0.767 108.009 108.800 -0.040 0.000 2.198 70 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 70 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 70 G C 0.090 174.983 174.900 -0.012 0.000 1.025 70 G CA 1.426 46.511 45.100 -0.025 0.000 0.769 70 G HN 0.931 nan 8.290 nan 0.000 0.507 71 T N -3.148 111.413 114.554 0.011 0.000 2.827 71 T HA 0.476 4.826 4.350 -0.000 0.000 0.328 71 T C 0.838 175.572 174.700 0.058 0.000 1.598 71 T CA 0.428 62.539 62.100 0.019 0.000 1.043 71 T CB 1.450 70.314 68.868 -0.007 0.000 1.447 71 T HN 0.512 nan 8.240 nan 0.000 0.491 72 V N 2.302 122.250 119.914 0.057 0.000 2.490 72 V HA 0.257 4.377 4.120 -0.000 0.000 0.238 72 V C 1.439 177.583 176.094 0.082 0.000 1.056 72 V CA 1.020 63.370 62.300 0.083 0.000 1.075 72 V CB -0.416 31.445 31.823 0.063 0.000 0.746 72 V HN 0.885 nan 8.190 nan 0.000 0.479 73 R N 1.814 122.347 120.500 0.055 0.000 2.738 73 R HA 0.237 4.577 4.340 -0.000 0.000 0.268 73 R C 0.366 176.686 176.300 0.033 0.000 1.062 73 R CA 0.416 56.551 56.100 0.059 0.000 1.158 73 R CB 0.049 30.365 30.300 0.027 0.000 1.046 73 R HN 0.433 nan 8.270 nan 0.000 0.493 74 T N -1.608 112.972 114.554 0.042 0.000 2.833 74 T HA 0.109 4.459 4.350 -0.000 0.000 0.292 74 T C 1.085 175.654 174.700 -0.218 0.000 1.031 74 T CA -0.536 61.543 62.100 -0.036 0.000 0.937 74 T CB 0.769 69.669 68.868 0.053 0.000 1.256 74 T HN 0.784 nan 8.240 nan 0.000 0.551 75 K N -0.644 119.486 120.400 -0.449 0.000 2.103 75 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 75 K C 1.666 177.794 176.600 -0.788 0.000 1.048 75 K CA 1.480 57.353 56.287 -0.690 0.000 0.930 75 K CB -0.382 31.493 32.500 -1.042 0.000 0.716 75 K HN 0.699 nan 8.250 nan 0.000 0.444 76 Y N -0.503 119.491 120.300 -0.511 0.000 2.475 76 Y HA 0.229 4.778 4.550 -0.000 0.000 0.289 76 Y C 1.344 176.716 175.900 -0.879 0.000 1.121 76 Y CA 0.538 58.106 58.100 -0.886 0.000 1.257 76 Y CB 0.523 38.007 38.460 -1.628 0.000 1.026 76 Y HN 0.301 nan 8.280 nan 0.000 0.555 77 G N -0.735 107.873 108.800 -0.319 0.000 2.339 77 G HA2 0.222 4.182 3.960 -0.000 0.000 0.275 77 G HA3 0.222 4.182 3.960 -0.000 0.000 0.275 77 G C -0.783 174.290 174.900 0.289 0.000 1.323 77 G CA -0.578 44.530 45.100 0.012 0.000 0.927 77 G HN 0.170 nan 8.290 nan 0.000 0.486 78 T N -1.607 113.148 114.554 0.334 0.000 2.912 78 T HA 0.572 4.922 4.350 -0.000 0.000 0.280 78 T C 1.362 176.203 174.700 0.236 0.000 0.989 78 T CA 0.472 62.716 62.100 0.240 0.000 0.995 78 T CB 2.054 71.000 68.868 0.130 0.000 1.077 78 T HN 0.814 nan 8.240 nan 0.000 0.531 79 K N 0.334 120.811 120.400 0.128 0.000 2.057 79 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 79 K C 2.442 179.022 176.600 -0.033 0.000 1.049 79 K CA 1.846 58.158 56.287 0.042 0.000 0.931 79 K CB -0.559 31.971 32.500 0.050 0.000 0.714 79 K HN 0.739 nan 8.250 nan 0.000 0.440 80 S N 0.427 116.128 115.700 0.001 0.000 2.382 80 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 80 S C 1.680 176.263 174.600 -0.029 0.000 1.027 80 S CA 1.232 59.419 58.200 -0.021 0.000 0.991 80 S CB -0.283 62.918 63.200 0.002 0.000 0.823 80 S HN 0.405 nan 8.310 nan 0.000 0.469 81 E N 0.830 121.048 120.200 0.031 0.000 2.106 81 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 81 E C 2.010 178.583 176.600 -0.045 0.000 0.984 81 E CA 1.035 57.475 56.400 0.067 0.000 0.806 81 E CB -0.290 29.537 29.700 0.212 0.000 0.750 81 E HN 0.438 nan 8.360 nan 0.000 0.458 82 L N 1.291 122.349 121.223 -0.275 0.000 2.056 82 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 82 L C 2.022 178.616 176.870 -0.461 0.000 1.078 82 L CA 1.760 56.147 54.840 -0.755 0.000 0.749 82 L CB -0.286 41.018 42.059 -1.257 0.000 0.901 82 L HN 0.028 nan 8.230 nan 0.000 0.433 83 Q N -0.642 118.976 119.800 -0.304 0.000 2.124 83 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 83 Q C 1.753 177.637 176.000 -0.194 0.000 0.977 83 Q CA 1.646 57.305 55.803 -0.239 0.000 0.850 83 Q CB -0.174 28.463 28.738 -0.168 0.000 0.901 83 Q HN 0.544 nan 8.270 nan 0.000 0.429 84 D N 0.410 120.722 120.400 -0.146 0.000 2.144 84 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 84 D C 1.765 177.986 176.300 -0.132 0.000 0.978 84 D CA 1.262 55.197 54.000 -0.107 0.000 0.833 84 D CB -0.157 40.607 40.800 -0.059 0.000 0.961 84 D HN 0.251 nan 8.370 nan 0.000 0.470 85 A N 0.701 123.424 122.820 -0.161 0.000 1.902 85 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 85 A C 2.356 179.787 177.584 -0.255 0.000 1.181 85 A CA 0.859 52.789 52.037 -0.178 0.000 0.623 85 A CB -0.702 18.198 19.000 -0.167 0.000 0.818 85 A HN 0.189 nan 8.150 nan 0.000 0.443 86 I N -0.271 120.100 120.570 -0.332 0.000 2.286 86 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 86 I C 2.645 178.501 176.117 -0.435 0.000 1.115 86 I CA 1.024 62.050 61.300 -0.456 0.000 1.392 86 I CB -0.507 37.205 38.000 -0.480 0.000 1.065 86 I HN 0.401 nan 8.210 nan 0.000 0.418 87 G N -0.130 108.524 108.800 -0.245 0.000 2.418 87 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 87 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 87 G C 1.766 176.608 174.900 -0.096 0.000 1.158 87 G CA 0.901 45.927 45.100 -0.123 0.000 0.771 87 G HN 0.347 nan 8.290 nan 0.000 0.545 88 S N 0.368 115.997 115.700 -0.119 0.000 2.368 88 S HA 0.017 4.486 4.470 -0.000 0.000 0.224 88 S C 2.309 176.851 174.600 -0.095 0.000 1.029 88 S CA 0.696 58.843 58.200 -0.089 0.000 0.988 88 S CB -0.209 62.938 63.200 -0.088 0.000 0.838 88 S HN 0.306 nan 8.310 nan 0.000 0.462 89 L N 0.491 121.618 121.223 -0.161 0.000 2.017 89 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 89 L C 2.318 179.154 176.870 -0.056 0.000 1.073 89 L CA 1.491 56.239 54.840 -0.153 0.000 0.745 89 L CB -0.679 41.230 42.059 -0.250 0.000 0.894 89 L HN 0.432 nan 8.230 nan 0.000 0.432 90 H N -0.969 118.039 119.070 -0.103 0.000 2.421 90 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 90 H C 2.506 177.789 175.328 -0.075 0.000 1.087 90 H CA 1.111 57.103 56.048 -0.092 0.000 1.330 90 H CB 0.138 29.841 29.762 -0.098 0.000 1.388 90 H HN 0.412 nan 8.280 nan 0.000 0.526 91 S N 0.630 116.361 115.700 0.052 0.000 2.474 91 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 91 S C 1.661 176.258 174.600 -0.004 0.000 0.997 91 S CA 0.614 58.819 58.200 0.009 0.000 0.949 91 S CB 0.145 63.339 63.200 -0.009 0.000 0.766 91 S HN 0.293 nan 8.310 nan 0.000 0.517 92 R N 1.510 122.007 120.500 -0.006 0.000 2.468 92 R HA 0.303 4.643 4.340 -0.000 0.000 0.280 92 R C 0.218 176.510 176.300 -0.013 0.000 0.963 92 R CA 0.163 56.254 56.100 -0.015 0.000 1.083 92 R CB -1.372 28.913 30.300 -0.025 0.000 1.200 92 R HN 0.728 nan 8.270 nan 0.000 0.541 93 N N 0.509 119.208 118.700 -0.001 0.000 2.740 93 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 93 N C -1.246 174.263 175.510 -0.002 0.000 1.062 93 N CA 0.029 53.075 53.050 -0.007 0.000 0.704 93 N CB -0.342 38.130 38.487 -0.025 0.000 0.968 93 N HN -0.098 nan 8.380 nan 0.000 0.547 94 V N 1.773 121.695 119.914 0.013 0.000 2.384 94 V HA 0.259 4.378 4.120 -0.000 0.000 0.287 94 V C 0.518 176.621 176.094 0.016 0.000 1.020 94 V CA -0.514 61.775 62.300 -0.019 0.000 0.850 94 V CB 1.657 33.444 31.823 -0.060 0.000 0.987 94 V HN 0.193 nan 8.190 nan 0.000 0.436 95 Q N 2.360 122.143 119.800 -0.028 0.000 2.318 95 Q HA 0.636 4.976 4.340 -0.000 0.000 0.222 95 Q C -1.015 174.888 176.000 -0.162 0.000 1.003 95 Q CA -0.508 55.285 55.803 -0.016 0.000 0.936 95 Q CB 1.959 30.675 28.738 -0.037 0.000 1.204 95 Q HN 0.559 nan 8.270 nan 0.000 0.524 96 V N 1.736 121.589 119.914 -0.103 0.000 2.577 96 V HA 0.296 4.416 4.120 -0.000 0.000 0.303 96 V C -1.482 174.644 176.094 0.054 0.000 1.042 96 V CA -0.854 61.367 62.300 -0.132 0.000 0.872 96 V CB 1.008 32.715 31.823 -0.194 0.000 0.998 96 V HN 0.556 nan 8.190 nan 0.000 0.423 97 Y N 2.202 122.568 120.300 0.110 0.000 2.331 97 Y HA 0.729 5.279 4.550 -0.000 0.000 0.338 97 Y C 0.799 176.841 175.900 0.238 0.000 0.992 97 Y CA -1.420 56.761 58.100 0.136 0.000 1.121 97 Y CB 1.857 40.460 38.460 0.239 0.000 1.184 97 Y HN 0.710 nan 8.280 nan 0.000 0.469 98 G N 2.204 111.231 108.800 0.378 0.000 2.377 98 G HA2 0.187 4.147 3.960 -0.000 0.000 0.299 98 G HA3 0.187 4.147 3.960 -0.000 0.000 0.299 98 G C -0.669 174.653 174.900 0.702 0.000 1.150 98 G CA -0.509 44.884 45.100 0.487 0.000 0.847 98 G HN 0.519 nan 8.290 nan 0.000 0.501 99 D N 0.691 121.491 120.400 0.667 0.000 2.389 99 D HA 0.222 4.862 4.640 -0.000 0.000 0.247 99 D C -0.322 176.356 176.300 0.630 0.000 1.128 99 D CA 0.133 54.495 54.000 0.603 0.000 0.884 99 D CB 1.643 42.798 40.800 0.592 0.000 1.194 99 D HN -0.013 nan 8.370 nan 0.000 0.441 100 V N 4.554 124.752 119.914 0.474 0.000 2.326 100 V HA 0.184 4.304 4.120 -0.000 0.000 0.281 100 V C 0.069 176.253 176.094 0.151 0.000 1.015 100 V CA -0.793 61.706 62.300 0.333 0.000 0.823 100 V CB 1.727 33.592 31.823 0.069 0.000 1.009 100 V HN 0.312 nan 8.190 nan 0.000 0.436 101 V N 7.209 127.186 119.914 0.105 0.000 2.277 101 V HA 0.353 4.473 4.120 -0.000 0.000 0.269 101 V C 0.543 176.455 176.094 -0.304 0.000 1.036 101 V CA 0.007 62.296 62.300 -0.020 0.000 0.821 101 V CB 1.087 32.970 31.823 0.099 0.000 1.052 101 V HN 0.764 nan 8.190 nan 0.000 0.462 102 L N 2.625 123.691 121.223 -0.262 0.000 2.766 102 L HA 0.234 4.574 4.340 -0.000 0.000 0.242 102 L C 2.007 178.835 176.870 -0.070 0.000 1.136 102 L CA 0.121 54.814 54.840 -0.246 0.000 0.933 102 L CB 0.007 41.930 42.059 -0.226 0.000 1.241 102 L HN 0.614 nan 8.230 nan 0.000 0.522 103 N N 0.449 119.084 118.700 -0.108 0.000 2.188 103 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 103 N C 0.542 176.098 175.510 0.076 0.000 1.018 103 N CA 1.129 54.219 53.050 0.066 0.000 0.858 103 N CB 0.264 38.836 38.487 0.142 0.000 0.989 103 N HN 0.443 nan 8.380 nan 0.000 0.426 104 H N -3.147 115.927 119.070 0.007 0.000 2.966 104 H HA 0.513 5.069 4.556 -0.000 0.000 0.330 104 H C -1.155 174.102 175.328 -0.118 0.000 1.292 104 H CA -1.004 55.049 56.048 0.008 0.000 1.127 104 H CB 0.788 30.589 29.762 0.066 0.000 1.863 104 H HN -0.161 nan 8.280 nan 0.000 0.543 105 K N 0.385 120.786 120.400 0.001 0.000 2.422 105 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 105 K C -1.225 175.395 176.600 0.033 0.000 0.933 105 K CA -0.822 55.311 56.287 -0.255 0.000 0.798 105 K CB 3.046 35.017 32.500 -0.880 0.000 1.238 105 K HN 0.749 nan 8.250 nan 0.000 0.428 106 A N 0.258 123.077 122.820 -0.001 0.000 2.423 106 A HA 0.783 5.103 4.320 -0.000 0.000 0.304 106 A C 0.333 178.009 177.584 0.153 0.000 1.104 106 A CA -0.144 51.782 52.037 -0.186 0.000 0.757 106 A CB 1.297 19.605 19.000 -1.155 0.000 1.313 106 A HN 0.843 nan 8.150 nan 0.000 0.423 107 G N -0.438 108.344 108.800 -0.029 0.000 2.212 107 G HA2 0.235 4.195 3.960 -0.000 0.000 0.255 107 G HA3 0.235 4.195 3.960 -0.000 0.000 0.255 107 G C 0.583 175.392 174.900 -0.151 0.000 1.062 107 G CA 0.373 45.411 45.100 -0.104 0.000 0.815 107 G HN 2.223 nan 8.290 nan 0.000 0.497 108 A N -0.336 122.241 122.820 -0.405 0.000 2.555 108 A HA 0.424 4.744 4.320 -0.000 0.000 0.233 108 A C 1.399 178.855 177.584 -0.214 0.000 1.060 108 A CA 0.897 52.389 52.037 -0.908 0.000 0.759 108 A CB 0.313 18.907 19.000 -0.677 0.000 0.995 108 A HN 0.374 nan 8.150 nan 0.000 0.506 109 D N 0.348 120.620 120.400 -0.213 0.000 2.219 109 D HA 0.196 4.836 4.640 -0.000 0.000 0.205 109 D C 0.729 177.097 176.300 0.113 0.000 0.970 109 D CA 1.907 55.892 54.000 -0.025 0.000 0.851 109 D CB 0.118 40.893 40.800 -0.042 0.000 0.943 109 D HN 0.755 nan 8.370 nan 0.000 0.488 110 A N -0.108 122.756 122.820 0.072 0.000 2.586 110 A HA 0.469 4.789 4.320 -0.000 0.000 0.290 110 A C -0.271 177.119 177.584 -0.324 0.000 1.086 110 A CA -0.655 51.337 52.037 -0.075 0.000 0.665 110 A CB 1.098 20.050 19.000 -0.079 0.000 1.279 110 A HN 0.016 nan 8.150 nan 0.000 0.423 111 T N -1.015 113.129 114.554 -0.683 0.000 2.874 111 T HA 0.749 5.099 4.350 -0.000 0.000 0.281 111 T C -0.262 174.251 174.700 -0.312 0.000 0.994 111 T CA -0.367 61.329 62.100 -0.673 0.000 1.015 111 T CB 1.147 69.481 68.868 -0.891 0.000 1.028 111 T HN 0.628 nan 8.240 nan 0.000 0.523 112 E N 0.200 120.258 120.200 -0.237 0.000 2.340 112 E HA 0.276 4.626 4.350 -0.000 0.000 0.273 112 E C -1.308 175.129 176.600 -0.272 0.000 0.891 112 E CA -0.999 55.311 56.400 -0.149 0.000 0.757 112 E CB 1.624 31.351 29.700 0.045 0.000 1.231 112 E HN 0.646 nan 8.360 nan 0.000 0.439 113 D N 1.780 122.009 120.400 -0.284 0.000 2.348 113 D HA 0.217 4.857 4.640 -0.000 0.000 0.253 113 D C -0.607 175.332 176.300 -0.601 0.000 1.161 113 D CA 0.262 54.043 54.000 -0.366 0.000 0.876 113 D CB 1.339 41.976 40.800 -0.273 0.000 1.160 113 D HN -0.012 nan 8.370 nan 0.000 0.459 114 V N 2.078 121.591 119.914 -0.669 0.000 2.841 114 V HA 0.259 4.379 4.120 -0.000 0.000 0.310 114 V C 0.246 175.928 176.094 -0.686 0.000 1.090 114 V CA -0.858 60.869 62.300 -0.955 0.000 0.930 114 V CB 2.390 33.482 31.823 -1.217 0.000 1.014 114 V HN 0.434 nan 8.190 nan 0.000 0.425 115 T N 3.823 117.998 114.554 -0.631 0.000 2.780 115 T HA 0.742 5.092 4.350 -0.000 0.000 0.294 115 T C 0.081 174.588 174.700 -0.323 0.000 0.949 115 T CA 0.108 61.975 62.100 -0.390 0.000 1.074 115 T CB 1.208 69.910 68.868 -0.276 0.000 0.910 115 T HN 1.098 nan 8.240 nan 0.000 0.501 116 A N 2.544 125.186 122.820 -0.298 0.000 2.569 116 A HA 0.912 5.232 4.320 -0.000 0.000 0.290 116 A C -0.796 176.683 177.584 -0.174 0.000 1.136 116 A CA -0.863 51.084 52.037 -0.150 0.000 0.710 116 A CB 1.438 20.396 19.000 -0.070 0.000 1.303 116 A HN 0.992 nan 8.150 nan 0.000 0.413 117 V N -1.855 118.051 119.914 -0.013 0.000 2.876 117 V HA 0.711 4.831 4.120 -0.000 0.000 0.312 117 V C -0.626 175.525 176.094 0.096 0.000 1.085 117 V CA -0.787 61.523 62.300 0.016 0.000 0.945 117 V CB 1.481 33.321 31.823 0.028 0.000 1.017 117 V HN 0.919 nan 8.190 nan 0.000 0.428 118 E N 1.704 121.960 120.200 0.093 0.000 2.343 118 E HA 0.596 4.946 4.350 -0.000 0.000 0.269 118 E C -0.397 176.226 176.600 0.038 0.000 1.047 118 E CA -0.495 55.910 56.400 0.007 0.000 0.874 118 E CB 1.992 31.697 29.700 0.008 0.000 1.033 118 E HN 0.940 nan 8.360 nan 0.000 0.409 119 V N -0.055 119.875 119.914 0.027 0.000 3.001 119 V HA 0.416 4.536 4.120 -0.000 0.000 0.314 119 V C -0.222 175.887 176.094 0.025 0.000 1.099 119 V CA -1.333 61.017 62.300 0.083 0.000 0.989 119 V CB 1.925 33.886 31.823 0.230 0.000 1.040 119 V HN 0.548 nan 8.190 nan 0.000 0.434 120 N N 3.085 121.802 118.700 0.029 0.000 2.440 120 N HA 0.236 4.976 4.740 -0.000 0.000 0.265 120 N C -1.777 173.716 175.510 -0.029 0.000 1.239 120 N CA -1.421 51.627 53.050 -0.004 0.000 0.909 120 N CB 1.459 39.947 38.487 0.002 0.000 1.066 120 N HN 0.485 nan 8.380 nan 0.000 0.474 121 P HA -0.072 nan 4.420 nan 0.000 0.219 121 P C 0.348 177.590 177.300 -0.097 0.000 1.146 121 P CA 1.228 64.287 63.100 -0.070 0.000 0.808 121 P CB 0.240 31.906 31.700 -0.056 0.000 0.779 122 A N -2.016 120.760 122.820 -0.074 0.000 2.218 122 A HA 0.081 4.401 4.320 -0.000 0.000 0.209 122 A C 0.954 178.492 177.584 -0.076 0.000 1.168 122 A CA 0.503 52.491 52.037 -0.082 0.000 0.804 122 A CB -0.533 18.436 19.000 -0.051 0.000 0.834 122 A HN 0.111 nan 8.150 nan 0.000 0.482 123 N N -0.756 117.910 118.700 -0.057 0.000 2.827 123 N HA 0.195 4.935 4.740 -0.000 0.000 0.240 123 N C -0.123 175.387 175.510 -0.001 0.000 1.352 123 N CA -0.300 52.731 53.050 -0.032 0.000 0.760 123 N CB 0.414 38.895 38.487 -0.009 0.000 1.426 123 N HN -0.014 nan 8.380 nan 0.000 0.561 124 R N 0.468 120.951 120.500 -0.028 0.000 2.377 124 R HA 0.181 4.521 4.340 -0.000 0.000 0.207 124 R C 0.955 177.403 176.300 0.247 0.000 1.075 124 R CA 0.521 56.648 56.100 0.045 0.000 1.035 124 R CB -0.080 30.073 30.300 -0.245 0.000 0.857 124 R HN 0.449 nan 8.270 nan 0.000 0.475 125 N N 0.175 118.968 118.700 0.155 0.000 2.412 125 N HA -0.068 4.671 4.740 -0.000 0.000 0.184 125 N C -0.084 175.500 175.510 0.124 0.000 1.101 125 N CA 0.313 53.469 53.050 0.178 0.000 0.881 125 N CB 0.358 38.898 38.487 0.087 0.000 0.969 125 N HN 0.344 nan 8.380 nan 0.000 0.459 126 Q N 1.387 121.247 119.800 0.100 0.000 2.347 126 Q HA 0.165 4.505 4.340 -0.000 0.000 0.262 126 Q C -1.012 175.035 176.000 0.078 0.000 0.980 126 Q CA -0.373 55.472 55.803 0.069 0.000 0.867 126 Q CB 0.974 29.736 28.738 0.040 0.000 1.242 126 Q HN 0.097 nan 8.270 nan 0.000 0.453 127 E N 1.739 121.981 120.200 0.070 0.000 2.360 127 E HA 0.050 4.400 4.350 -0.000 0.000 0.269 127 E C 0.189 176.820 176.600 0.052 0.000 1.022 127 E CA 0.270 56.710 56.400 0.067 0.000 0.887 127 E CB 0.947 30.680 29.700 0.055 0.000 0.990 127 E HN 0.713 nan 8.360 nan 0.000 0.426 128 T N -1.437 113.148 114.554 0.052 0.000 3.182 128 T HA 0.200 4.550 4.350 -0.000 0.000 0.277 128 T C 0.019 174.754 174.700 0.059 0.000 1.013 128 T CA -0.411 61.714 62.100 0.042 0.000 0.900 128 T CB 0.054 68.936 68.868 0.024 0.000 1.098 128 T HN 0.326 nan 8.240 nan 0.000 0.543 129 S N -0.454 115.296 115.700 0.084 0.000 2.587 129 S HA 0.502 4.971 4.470 -0.000 0.000 0.269 129 S C -1.376 173.301 174.600 0.128 0.000 1.154 129 S CA -1.057 57.217 58.200 0.123 0.000 0.824 129 S CB 1.562 64.895 63.200 0.222 0.000 1.118 129 S HN 0.284 nan 8.310 nan 0.000 0.462 130 E N 0.973 121.256 120.200 0.139 0.000 2.371 130 E HA 0.263 4.613 4.350 -0.000 0.000 0.257 130 E C 0.118 176.833 176.600 0.190 0.000 1.134 130 E CA -0.593 55.879 56.400 0.121 0.000 0.919 130 E CB 0.472 30.227 29.700 0.091 0.000 1.025 130 E HN 0.745 nan 8.360 nan 0.000 0.438 131 E N 0.953 121.223 120.200 0.117 0.000 2.373 131 E HA 0.254 4.604 4.350 -0.000 0.000 0.263 131 E C -0.838 175.865 176.600 0.172 0.000 1.073 131 E CA -0.403 56.039 56.400 0.071 0.000 0.894 131 E CB 0.460 30.159 29.700 -0.002 0.000 1.008 131 E HN 0.473 nan 8.360 nan 0.000 0.420 132 Y N -2.002 118.279 120.300 -0.032 0.000 2.689 132 Y HA 0.330 4.880 4.550 -0.000 0.000 0.333 132 Y C -1.212 174.610 175.900 -0.130 0.000 1.208 132 Y CA -1.567 56.492 58.100 -0.068 0.000 1.055 132 Y CB 0.789 39.221 38.460 -0.046 0.000 1.304 132 Y HN 0.279 nan 8.280 nan 0.000 0.455 133 Q N 2.844 122.666 119.800 0.037 0.000 2.267 133 Q HA 0.540 4.880 4.340 -0.000 0.000 0.255 133 Q C -0.330 175.581 176.000 -0.147 0.000 0.923 133 Q CA -0.315 55.406 55.803 -0.138 0.000 0.925 133 Q CB 1.926 30.588 28.738 -0.125 0.000 1.195 133 Q HN 0.826 nan 8.270 nan 0.000 0.417 134 I N -2.060 118.308 120.570 -0.337 0.000 3.108 134 I HA 0.567 4.737 4.170 -0.000 0.000 0.312 134 I C -0.723 175.172 176.117 -0.370 0.000 1.095 134 I CA -1.285 59.788 61.300 -0.377 0.000 1.000 134 I CB 2.227 39.821 38.000 -0.676 0.000 1.229 134 I HN 0.180 nan 8.210 nan 0.000 0.454 135 K N 2.750 122.952 120.400 -0.331 0.000 2.389 135 K HA 0.703 5.023 4.320 -0.000 0.000 0.261 135 K C -0.886 175.527 176.600 -0.312 0.000 1.014 135 K CA -0.541 55.551 56.287 -0.325 0.000 0.920 135 K CB 1.813 34.138 32.500 -0.292 0.000 1.149 135 K HN 0.763 nan 8.250 nan 0.000 0.444 136 A N 2.478 125.132 122.820 -0.277 0.000 2.312 136 A HA 0.402 4.722 4.320 -0.000 0.000 0.326 136 A C -1.188 176.341 177.584 -0.092 0.000 1.172 136 A CA -0.712 51.285 52.037 -0.067 0.000 0.821 136 A CB 0.301 19.351 19.000 0.083 0.000 1.166 136 A HN 0.759 nan 8.150 nan 0.000 0.493 137 W N 2.152 123.533 121.300 0.134 0.000 2.351 137 W HA 0.343 5.003 4.660 -0.000 0.000 0.421 137 W C 0.907 177.442 176.519 0.027 0.000 1.000 137 W CA 0.571 57.944 57.345 0.047 0.000 1.610 137 W CB 0.422 29.912 29.460 0.049 0.000 1.700 137 W HN 0.789 nan 8.180 nan 0.000 0.351 138 T N -3.396 111.266 114.554 0.180 0.000 3.058 138 T HA 0.007 4.357 4.350 -0.000 0.000 0.278 138 T C -0.006 174.945 174.700 0.419 0.000 0.974 138 T CA -0.330 61.973 62.100 0.338 0.000 0.893 138 T CB 0.129 69.278 68.868 0.468 0.000 1.138 138 T HN 0.063 nan 8.240 nan 0.000 0.529 139 D N 1.256 121.712 120.400 0.093 0.000 2.380 139 D HA 0.302 4.942 4.640 -0.000 0.000 0.230 139 D C -1.392 174.791 176.300 -0.195 0.000 1.154 139 D CA -0.713 53.291 54.000 0.007 0.000 0.859 139 D CB 0.025 40.819 40.800 -0.011 0.000 1.045 139 D HN 0.210 nan 8.370 nan 0.000 0.495 140 F N 3.198 123.055 119.950 -0.155 0.000 2.347 140 F HA 0.389 4.916 4.527 -0.000 0.000 0.366 140 F C 1.594 176.949 175.800 -0.742 0.000 1.107 140 F CA -0.707 57.034 58.000 -0.432 0.000 1.058 140 F CB 1.483 40.176 39.000 -0.513 0.000 1.236 140 F HN 0.235 nan 8.300 nan 0.000 0.456 141 R N 1.621 121.829 120.500 -0.488 0.000 2.307 141 R HA 0.211 4.551 4.340 -0.000 0.000 0.200 141 R C -0.567 175.619 176.300 -0.189 0.000 0.893 141 R CA -0.186 55.726 56.100 -0.312 0.000 1.042 141 R CB 0.175 30.416 30.300 -0.097 0.000 1.059 141 R HN 0.495 nan 8.270 nan 0.000 0.530 142 F N 1.241 121.309 119.950 0.196 0.000 2.807 142 F HA -0.132 4.394 4.527 -0.000 0.000 0.297 142 F C -1.521 174.338 175.800 0.099 0.000 1.024 142 F CA -0.262 57.844 58.000 0.178 0.000 1.008 142 F CB -1.311 37.712 39.000 0.037 0.000 1.142 142 F HN 0.109 nan 8.300 nan 0.000 0.829 143 P HA -0.149 nan 4.420 nan 0.000 0.219 143 P C 1.651 179.013 177.300 0.103 0.000 1.146 143 P CA 2.109 65.282 63.100 0.122 0.000 0.808 143 P CB 0.115 31.870 31.700 0.092 0.000 0.779 144 G N -0.658 108.229 108.800 0.145 0.000 2.777 144 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.211 144 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.211 144 G C 1.754 176.630 174.900 -0.040 0.000 1.149 144 G CA 0.076 45.249 45.100 0.122 0.000 0.785 144 G HN 0.289 nan 8.290 nan 0.000 0.536 145 R N -0.858 119.520 120.500 -0.203 0.000 2.276 145 R HA 0.379 4.719 4.340 -0.000 0.000 0.195 145 R C 1.530 177.589 176.300 -0.403 0.000 0.908 145 R CA 1.168 56.833 56.100 -0.725 0.000 1.083 145 R CB 0.081 29.857 30.300 -0.873 0.000 1.182 145 R HN 0.334 nan 8.270 nan 0.000 0.608 146 G N 1.360 110.079 108.800 -0.135 0.000 2.547 146 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.271 146 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.271 146 G C 0.051 174.883 174.900 -0.113 0.000 1.209 146 G CA 0.227 45.283 45.100 -0.073 0.000 0.959 146 G HN 0.408 nan 8.290 nan 0.000 0.563 147 N N 1.057 119.688 118.700 -0.114 0.000 2.461 147 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 147 N C 0.984 176.369 175.510 -0.209 0.000 1.134 147 N CA 1.079 54.053 53.050 -0.128 0.000 0.878 147 N CB -0.141 38.301 38.487 -0.074 0.000 0.972 147 N HN 0.588 nan 8.380 nan 0.000 0.456 148 T N 1.713 116.092 114.554 -0.291 0.000 2.871 148 T HA -0.074 4.276 4.350 -0.000 0.000 0.296 148 T C 0.372 174.806 174.700 -0.444 0.000 0.998 148 T CA 0.355 62.212 62.100 -0.406 0.000 1.162 148 T CB 0.274 68.815 68.868 -0.544 0.000 0.947 148 T HN 0.272 nan 8.240 nan 0.000 0.536 149 Y N 0.186 120.383 120.300 -0.171 0.000 3.297 149 Y HA -0.261 4.288 4.550 -0.000 0.000 0.442 149 Y C 0.961 176.456 175.900 -0.676 0.000 1.265 149 Y CA 1.172 59.061 58.100 -0.352 0.000 2.337 149 Y CB -1.777 36.392 38.460 -0.484 0.000 0.876 149 Y HN 0.739 nan 8.280 nan 0.000 0.487 150 S N 0.240 115.605 115.700 -0.557 0.000 2.582 150 S HA 0.485 4.955 4.470 -0.000 0.000 0.287 150 S C -0.333 174.098 174.600 -0.283 0.000 1.146 150 S CA -0.117 57.745 58.200 -0.563 0.000 0.941 150 S CB 1.027 63.484 63.200 -1.238 0.000 1.115 150 S HN 0.286 nan 8.310 nan 0.000 0.458 151 D N 2.914 123.248 120.400 -0.110 0.000 2.328 151 D HA 0.105 4.744 4.640 -0.000 0.000 0.221 151 D C 0.164 176.484 176.300 0.033 0.000 1.072 151 D CA -0.257 53.724 54.000 -0.032 0.000 0.850 151 D CB -0.291 40.499 40.800 -0.016 0.000 0.922 151 D HN 0.342 nan 8.370 nan 0.000 0.516 152 F N 2.103 121.990 119.950 -0.105 0.000 2.504 152 F HA 0.248 4.775 4.527 -0.000 0.000 0.369 152 F C 0.253 176.056 175.800 0.005 0.000 1.082 152 F CA -0.228 57.697 58.000 -0.126 0.000 1.216 152 F CB 0.545 39.409 39.000 -0.227 0.000 1.108 152 F HN -0.330 nan 8.300 nan 0.000 0.554 153 K N 5.899 125.943 120.400 -0.593 0.000 2.270 153 K HA 0.230 4.550 4.320 -0.000 0.000 0.255 153 K C -1.411 174.764 176.600 -0.708 0.000 0.936 153 K CA -0.515 55.567 56.287 -0.342 0.000 0.809 153 K CB 1.407 33.781 32.500 -0.211 0.000 1.131 153 K HN 0.566 nan 8.250 nan 0.000 0.427 154 W N 1.984 123.027 121.300 -0.429 0.000 2.438 154 W HA 0.351 5.011 4.660 -0.000 0.000 0.324 154 W C 0.798 177.068 176.519 -0.414 0.000 1.119 154 W CA -0.082 57.117 57.345 -0.243 0.000 1.221 154 W CB 0.768 30.227 29.460 -0.001 0.000 1.253 154 W HN 0.395 nan 8.180 nan 0.000 0.555 155 H N 1.588 120.745 119.070 0.145 0.000 2.949 155 H HA 0.040 4.596 4.556 -0.000 0.000 0.356 155 H C 1.081 176.307 175.328 -0.170 0.000 1.212 155 H CA -0.899 54.991 56.048 -0.263 0.000 1.136 155 H CB 0.889 29.997 29.762 -1.090 0.000 1.869 155 H HN 0.768 nan 8.280 nan 0.000 0.556 156 W N 1.818 123.187 121.300 0.114 0.000 2.331 156 W HA -0.236 4.424 4.660 -0.000 0.000 0.291 156 W C 0.830 177.548 176.519 0.331 0.000 1.214 156 W CA 1.335 58.875 57.345 0.324 0.000 1.228 156 W CB -1.233 28.213 29.460 -0.024 0.000 1.135 156 W HN 0.622 nan 8.180 nan 0.000 0.537 157 Y N -0.010 119.601 120.300 -1.149 0.000 2.632 157 Y HA 0.116 4.666 4.550 -0.000 0.000 0.301 157 Y C 1.505 177.133 175.900 -0.454 0.000 1.172 157 Y CA 1.179 58.606 58.100 -1.121 0.000 1.328 157 Y CB -1.869 35.708 38.460 -1.471 0.000 1.016 157 Y HN 0.117 nan 8.280 nan 0.000 0.529 158 H N -1.221 117.675 119.070 -0.290 0.000 2.551 158 H HA 0.280 4.836 4.556 -0.000 0.000 0.271 158 H C -0.746 174.301 175.328 -0.469 0.000 0.984 158 H CA -0.427 55.339 56.048 -0.470 0.000 1.164 158 H CB 0.212 29.556 29.762 -0.697 0.000 1.437 158 H HN 0.188 nan 8.280 nan 0.000 0.550 159 F N -0.613 119.534 119.950 0.329 0.000 2.579 159 F HA 0.218 4.745 4.527 -0.000 0.000 0.324 159 F C 0.762 176.706 175.800 0.239 0.000 1.058 159 F CA -1.070 57.110 58.000 0.299 0.000 0.944 159 F CB 1.485 40.723 39.000 0.396 0.000 1.245 159 F HN -0.111 nan 8.300 nan 0.000 0.477 160 D N 0.041 120.616 120.400 0.291 0.000 2.338 160 D HA 0.304 4.944 4.640 -0.000 0.000 0.208 160 D C 0.731 176.808 176.300 -0.372 0.000 0.997 160 D CA 0.794 54.842 54.000 0.079 0.000 0.880 160 D CB 0.910 41.868 40.800 0.263 0.000 0.980 160 D HN 0.676 nan 8.370 nan 0.000 0.509 161 G N -0.672 107.827 108.800 -0.501 0.000 2.430 161 G HA2 0.588 4.548 3.960 -0.000 0.000 0.300 161 G HA3 0.588 4.548 3.960 -0.000 0.000 0.300 161 G C -1.794 172.926 174.900 -0.300 0.000 1.330 161 G CA 0.053 44.633 45.100 -0.866 0.000 0.813 161 G HN 0.229 nan 8.290 nan 0.000 0.487 162 A N -0.991 121.820 122.820 -0.015 0.000 2.581 162 A HA 0.770 5.090 4.320 -0.000 0.000 0.290 162 A C -0.862 176.869 177.584 0.245 0.000 1.119 162 A CA 0.510 52.749 52.037 0.336 0.000 0.670 162 A CB 1.651 20.934 19.000 0.472 0.000 1.280 162 A HN 1.220 nan 8.150 nan 0.000 0.425 163 D N -0.875 119.762 120.400 0.395 0.000 2.535 163 D HA 0.134 4.774 4.640 -0.000 0.000 0.229 163 D C -0.277 176.364 176.300 0.568 0.000 1.238 163 D CA 0.071 54.253 54.000 0.303 0.000 0.824 163 D CB 0.353 41.293 40.800 0.234 0.000 1.045 163 D HN 0.503 nan 8.370 nan 0.000 0.500 164 W N 1.450 123.032 121.300 0.471 0.000 3.274 164 W HA 0.381 5.041 4.660 -0.000 0.000 0.327 164 W C -2.153 174.569 176.519 0.338 0.000 1.172 164 W CA -0.691 56.909 57.345 0.425 0.000 1.217 164 W CB 2.133 31.787 29.460 0.323 0.000 1.376 164 W HN -0.196 nan 8.180 nan 0.000 0.507 165 D N 3.372 123.521 120.400 -0.420 0.000 2.414 165 D HA 0.132 4.772 4.640 -0.000 0.000 0.232 165 D C 0.645 176.563 176.300 -0.637 0.000 1.070 165 D CA 0.011 53.726 54.000 -0.474 0.000 0.839 165 D CB 1.689 42.244 40.800 -0.409 0.000 1.079 165 D HN 0.382 nan 8.370 nan 0.000 0.521 166 E N 2.112 122.181 120.200 -0.219 0.000 2.268 166 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 166 E C 1.553 178.131 176.600 -0.036 0.000 0.995 166 E CA 1.476 57.922 56.400 0.076 0.000 0.836 166 E CB 0.090 29.891 29.700 0.169 0.000 0.763 166 E HN 0.470 nan 8.360 nan 0.000 0.491 167 S N -0.028 115.592 115.700 -0.133 0.000 2.345 167 S HA -0.118 4.352 4.470 -0.000 0.000 0.220 167 S C 1.925 176.470 174.600 -0.092 0.000 1.031 167 S CA 0.907 59.046 58.200 -0.101 0.000 0.996 167 S CB -0.249 62.881 63.200 -0.117 0.000 0.882 167 S HN 0.249 nan 8.310 nan 0.000 0.445 168 R N 1.009 121.426 120.500 -0.139 0.000 2.290 168 R HA 0.306 4.646 4.340 -0.000 0.000 0.197 168 R C -0.176 176.020 176.300 -0.172 0.000 0.913 168 R CA 0.052 56.079 56.100 -0.121 0.000 1.040 168 R CB -0.096 30.146 30.300 -0.097 0.000 0.992 168 R HN 0.342 nan 8.270 nan 0.000 0.500 169 K N 1.296 121.498 120.400 -0.330 0.000 3.244 169 K HA -0.156 4.164 4.320 -0.000 0.000 0.270 169 K C -0.587 175.598 176.600 -0.692 0.000 1.016 169 K CA 0.679 56.657 56.287 -0.515 0.000 0.754 169 K CB -1.761 30.767 32.500 0.047 0.000 1.326 169 K HN 0.419 nan 8.250 nan 0.000 0.465 170 I N -3.629 116.431 120.570 -0.849 0.000 2.785 170 I HA 0.551 4.721 4.170 -0.000 0.000 0.302 170 I C -0.219 175.757 176.117 -0.234 0.000 1.069 170 I CA -0.896 60.188 61.300 -0.360 0.000 1.045 170 I CB 2.353 40.307 38.000 -0.077 0.000 1.236 170 I HN -0.024 nan 8.210 nan 0.000 0.429 171 S N 3.971 119.729 115.700 0.098 0.000 2.456 171 S HA 0.691 5.161 4.470 -0.000 0.000 0.316 171 S C -0.532 174.061 174.600 -0.011 0.000 1.089 171 S CA -0.589 57.753 58.200 0.236 0.000 1.101 171 S CB 0.404 63.812 63.200 0.346 0.000 0.995 171 S HN 0.686 nan 8.310 nan 0.000 0.468 172 R N 3.022 123.381 120.500 -0.235 0.000 2.766 172 R HA 0.440 4.780 4.340 -0.000 0.000 0.270 172 R C -1.212 174.721 176.300 -0.612 0.000 1.035 172 R CA -0.751 55.030 56.100 -0.533 0.000 0.911 172 R CB 0.801 30.517 30.300 -0.974 0.000 1.243 172 R HN 0.622 nan 8.270 nan 0.000 0.460 173 I N 2.250 122.511 120.570 -0.514 0.000 2.287 173 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 173 I C -0.581 175.317 176.117 -0.365 0.000 1.069 173 I CA -0.229 60.805 61.300 -0.442 0.000 1.237 173 I CB 0.134 37.980 38.000 -0.258 0.000 1.418 173 I HN 0.181 nan 8.210 nan 0.000 0.481 174 F N 5.957 125.836 119.950 -0.117 0.000 2.411 174 F HA 0.350 4.877 4.527 -0.000 0.000 0.355 174 F C 0.625 176.415 175.800 -0.016 0.000 1.117 174 F CA -0.588 57.399 58.000 -0.021 0.000 1.139 174 F CB 0.850 39.882 39.000 0.055 0.000 1.120 174 F HN 0.317 nan 8.300 nan 0.000 0.493 175 K N 4.365 124.861 120.400 0.161 0.000 2.240 175 K HA 0.397 4.717 4.320 -0.000 0.000 0.271 175 K C -0.958 175.684 176.600 0.071 0.000 1.018 175 K CA -0.587 55.601 56.287 -0.165 0.000 0.874 175 K CB 0.580 32.873 32.500 -0.345 0.000 1.098 175 K HN 0.260 nan 8.250 nan 0.000 0.458 176 F N 2.785 122.687 119.950 -0.080 0.000 2.459 176 F HA 0.288 4.815 4.527 -0.000 0.000 0.346 176 F C 1.233 177.023 175.800 -0.017 0.000 1.128 176 F CA -0.526 57.477 58.000 0.005 0.000 1.268 176 F CB 0.415 39.544 39.000 0.216 0.000 1.161 176 F HN 0.364 nan 8.300 nan 0.000 0.583 177 R N 0.420 121.014 120.500 0.157 0.000 2.720 177 R HA 0.738 5.078 4.340 -0.000 0.000 0.272 177 R C 0.011 176.404 176.300 0.156 0.000 0.991 177 R CA -0.530 55.617 56.100 0.079 0.000 1.010 177 R CB 1.429 31.717 30.300 -0.020 0.000 1.141 177 R HN 0.840 nan 8.270 nan 0.000 0.494 178 G N 1.288 110.177 108.800 0.148 0.000 2.539 178 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 178 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 178 G C -0.327 174.693 174.900 0.200 0.000 1.258 178 G CA -0.264 44.967 45.100 0.219 0.000 0.846 178 G HN 0.745 nan 8.290 nan 0.000 0.647 179 E N -0.733 119.546 120.200 0.132 0.000 2.162 179 E HA -0.143 4.207 4.350 -0.000 0.000 0.209 179 E C 1.291 177.918 176.600 0.044 0.000 1.328 179 E CA 2.080 58.513 56.400 0.055 0.000 0.712 179 E CB -1.937 27.766 29.700 0.005 0.000 1.107 179 E HN 2.944 nan 8.360 nan 0.000 0.347 180 G N 0.275 109.103 108.800 0.047 0.000 2.283 180 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.280 180 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.280 180 G C 0.218 175.145 174.900 0.044 0.000 1.029 180 G CA 0.521 45.642 45.100 0.035 0.000 0.840 180 G HN 0.410 nan 8.290 nan 0.000 0.505 181 K N -0.248 120.194 120.400 0.069 0.000 2.469 181 K HA 0.549 4.869 4.320 -0.000 0.000 0.274 181 K C 0.478 177.071 176.600 -0.011 0.000 0.983 181 K CA 0.987 57.312 56.287 0.063 0.000 0.974 181 K CB 1.198 33.769 32.500 0.118 0.000 0.913 181 K HN 1.292 nan 8.250 nan 0.000 0.493 182 A N 2.808 125.613 122.820 -0.025 0.000 2.594 182 A HA 0.349 4.668 4.320 -0.000 0.000 0.296 182 A C -1.626 175.984 177.584 0.043 0.000 1.061 182 A CA -0.941 51.066 52.037 -0.049 0.000 0.689 182 A CB 0.414 19.439 19.000 0.042 0.000 1.280 182 A HN 0.671 nan 8.150 nan 0.000 0.406 183 W N 1.749 123.137 121.300 0.146 0.000 2.231 183 W HA 0.222 4.882 4.660 -0.000 0.000 0.341 183 W C -0.035 176.610 176.519 0.210 0.000 1.298 183 W CA 0.172 57.626 57.345 0.182 0.000 1.266 183 W CB 0.494 30.066 29.460 0.187 0.000 1.172 183 W HN 0.576 nan 8.180 nan 0.000 0.568 184 D N 1.989 122.699 120.400 0.517 0.000 2.423 184 D HA -0.054 4.586 4.640 -0.000 0.000 0.238 184 D C -0.017 176.546 176.300 0.437 0.000 1.142 184 D CA 0.081 54.315 54.000 0.390 0.000 0.884 184 D CB 0.586 41.586 40.800 0.335 0.000 1.199 184 D HN 0.401 nan 8.370 nan 0.000 0.438 185 W N 0.423 121.786 121.300 0.106 0.000 2.380 185 W HA 0.171 4.831 4.660 -0.000 0.000 0.441 185 W C 0.162 176.615 176.519 -0.111 0.000 1.762 185 W CA -0.822 56.539 57.345 0.027 0.000 1.905 185 W CB 0.709 30.193 29.460 0.041 0.000 1.624 185 W HN 0.262 nan 8.180 nan 0.000 0.717 186 E N 1.486 120.461 120.200 -2.042 0.000 2.273 186 E HA -0.208 4.142 4.350 -0.000 0.000 0.177 186 E C -1.144 174.310 176.600 -1.909 0.000 1.511 186 E CA 1.137 56.321 56.400 -2.027 0.000 0.675 186 E CB -1.411 27.655 29.700 -1.056 0.000 1.094 186 E HN 0.433 nan 8.360 nan 0.000 0.348 187 V N -1.505 117.490 119.914 -1.532 0.000 3.182 187 V HA 0.746 4.866 4.120 -0.000 0.000 0.308 187 V C 0.411 176.294 176.094 -0.353 0.000 1.240 187 V CA -0.586 61.238 62.300 -0.794 0.000 1.063 187 V CB 1.913 33.641 31.823 -0.158 0.000 1.076 187 V HN 0.291 nan 8.190 nan 0.000 0.446 188 S N 0.834 116.567 115.700 0.055 0.000 2.558 188 S HA 0.128 4.598 4.470 -0.000 0.000 0.288 188 S C 1.240 176.000 174.600 0.267 0.000 1.318 188 S CA 0.301 58.633 58.200 0.221 0.000 1.056 188 S CB 0.621 63.912 63.200 0.152 0.000 0.853 188 S HN 1.917 nan 8.310 nan 0.000 0.505 189 S N 2.628 118.509 115.700 0.302 0.000 2.631 189 S HA 0.188 4.658 4.470 -0.000 0.000 0.217 189 S C 0.164 174.873 174.600 0.181 0.000 0.958 189 S CA -0.413 57.978 58.200 0.318 0.000 0.920 189 S CB -0.318 63.093 63.200 0.351 0.000 0.776 189 S HN 0.821 nan 8.310 nan 0.000 0.517 190 E N 2.607 122.911 120.200 0.173 0.000 2.413 190 E HA 0.138 4.488 4.350 -0.000 0.000 0.263 190 E C -0.031 176.503 176.600 -0.109 0.000 1.015 190 E CA -0.195 56.242 56.400 0.062 0.000 0.916 190 E CB 0.106 29.892 29.700 0.143 0.000 0.947 190 E HN 0.274 nan 8.360 nan 0.000 0.440 191 N N 1.926 120.535 118.700 -0.151 0.000 2.747 191 N HA -0.270 4.470 4.740 -0.000 0.000 0.249 191 N C 0.752 176.194 175.510 -0.113 0.000 1.107 191 N CA 0.948 53.877 53.050 -0.202 0.000 0.707 191 N CB -1.437 36.789 38.487 -0.436 0.000 1.054 191 N HN 0.941 nan 8.380 nan 0.000 0.555 192 G N 0.378 109.159 108.800 -0.032 0.000 3.444 192 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.222 192 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.222 192 G C -0.119 174.814 174.900 0.055 0.000 1.358 192 G CA 0.709 45.812 45.100 0.006 0.000 0.880 192 G HN 0.759 nan 8.290 nan 0.000 0.555 193 N N -0.979 117.734 118.700 0.023 0.000 2.542 193 N HA 0.330 5.070 4.740 -0.000 0.000 0.288 193 N C -1.139 174.380 175.510 0.016 0.000 1.115 193 N CA -0.489 52.620 53.050 0.100 0.000 0.924 193 N CB 0.978 39.515 38.487 0.082 0.000 1.526 193 N HN 0.116 nan 8.380 nan 0.000 0.515 194 Y N 2.407 122.718 120.300 0.018 0.000 2.645 194 Y HA 0.159 4.709 4.550 -0.000 0.000 0.307 194 Y C 1.443 177.385 175.900 0.071 0.000 1.151 194 Y CA -0.610 57.508 58.100 0.030 0.000 1.291 194 Y CB -0.211 38.298 38.460 0.081 0.000 1.135 194 Y HN 0.634 nan 8.280 nan 0.000 0.523 195 D N -0.212 120.266 120.400 0.129 0.000 2.104 195 D HA -0.245 4.395 4.640 -0.000 0.000 0.194 195 D C 0.219 176.549 176.300 0.050 0.000 0.994 195 D CA 1.115 55.191 54.000 0.127 0.000 0.830 195 D CB -0.269 40.651 40.800 0.200 0.000 0.959 195 D HN 0.259 nan 8.370 nan 0.000 0.452 196 Y N 0.097 120.231 120.300 -0.277 0.000 2.377 196 Y HA 0.297 4.847 4.550 -0.000 0.000 0.330 196 Y C 0.645 176.513 175.900 -0.054 0.000 1.108 196 Y CA -0.201 57.785 58.100 -0.190 0.000 1.308 196 Y CB 0.961 39.169 38.460 -0.420 0.000 1.216 196 Y HN 0.012 nan 8.280 nan 0.000 0.518 197 L N 5.708 126.335 121.223 -0.994 0.000 2.691 197 L HA 0.462 4.802 4.340 -0.000 0.000 0.185 197 L C -0.609 175.824 176.870 -0.727 0.000 1.081 197 L CA 0.692 55.105 54.840 -0.713 0.000 0.865 197 L CB 0.357 41.885 42.059 -0.885 0.000 1.370 197 L HN 0.727 nan 8.230 nan 0.000 0.488 198 M N -4.162 114.878 119.600 -0.934 0.000 2.833 198 M HA 0.412 4.892 4.480 -0.000 0.000 0.270 198 M C -0.548 175.515 176.300 -0.396 0.000 1.209 198 M CA -0.810 54.123 55.300 -0.611 0.000 0.826 198 M CB 1.443 33.632 32.600 -0.686 0.000 1.657 198 M HN 0.101 nan 8.290 nan 0.000 0.492 199 Y N -0.555 119.708 120.300 -0.062 0.000 2.849 199 Y HA -0.199 4.351 4.550 -0.000 0.000 0.459 199 Y C 0.628 176.636 175.900 0.181 0.000 1.175 199 Y CA 1.149 59.286 58.100 0.062 0.000 2.500 199 Y CB -1.788 36.672 38.460 -0.000 0.000 1.208 199 Y HN 1.107 nan 8.280 nan 0.000 0.638 200 A N 1.223 124.230 122.820 0.311 0.000 2.279 200 A HA 0.456 4.776 4.320 -0.000 0.000 0.306 200 A C -0.702 176.996 177.584 0.190 0.000 1.300 200 A CA 0.100 52.163 52.037 0.043 0.000 0.925 200 A CB 0.087 18.730 19.000 -0.596 0.000 1.152 200 A HN 0.449 nan 8.150 nan 0.000 0.544 201 D N 2.657 123.261 120.400 0.340 0.000 2.339 201 D HA 0.318 4.958 4.640 -0.000 0.000 0.256 201 D C 0.079 176.685 176.300 0.510 0.000 1.214 201 D CA 0.155 54.381 54.000 0.377 0.000 0.877 201 D CB 0.772 41.827 40.800 0.425 0.000 1.111 201 D HN 0.268 nan 8.370 nan 0.000 0.478 202 V N 4.097 124.207 119.914 0.326 0.000 2.585 202 V HA -0.003 4.117 4.120 -0.000 0.000 0.296 202 V C 0.534 176.532 176.094 -0.161 0.000 1.035 202 V CA 0.013 62.317 62.300 0.006 0.000 1.084 202 V CB 1.099 32.707 31.823 -0.359 0.000 0.953 202 V HN 0.593 nan 8.190 nan 0.000 0.483 203 D N 3.798 124.090 120.400 -0.180 0.000 2.441 203 D HA 0.146 4.786 4.640 -0.000 0.000 0.221 203 D C 0.167 176.314 176.300 -0.254 0.000 1.156 203 D CA -0.214 53.745 54.000 -0.069 0.000 0.896 203 D CB 0.376 41.231 40.800 0.093 0.000 1.028 203 D HN 0.487 nan 8.370 nan 0.000 0.509 204 Y N 1.568 121.875 120.300 0.011 0.000 2.477 204 Y HA 0.066 4.616 4.550 -0.000 0.000 0.303 204 Y C 1.360 177.259 175.900 -0.000 0.000 1.202 204 Y CA 0.025 58.050 58.100 -0.126 0.000 1.282 204 Y CB 0.313 38.607 38.460 -0.277 0.000 1.071 204 Y HN 0.388 nan 8.280 nan 0.000 0.510 205 D N -1.971 118.516 120.400 0.144 0.000 2.346 205 D HA -0.074 4.566 4.640 -0.000 0.000 0.206 205 D C 0.469 176.829 176.300 0.101 0.000 1.001 205 D CA 0.478 54.559 54.000 0.135 0.000 0.871 205 D CB -0.014 40.861 40.800 0.125 0.000 0.943 205 D HN 0.226 nan 8.370 nan 0.000 0.518 206 H N 2.788 121.868 119.070 0.017 0.000 2.944 206 H HA 0.055 4.611 4.556 -0.000 0.000 0.278 206 H C -1.428 173.908 175.328 0.013 0.000 1.083 206 H CA -1.488 54.569 56.048 0.015 0.000 1.479 206 H CB 1.641 31.413 29.762 0.015 0.000 1.486 206 H HN -0.073 nan 8.280 nan 0.000 0.493 207 P HA -0.168 nan 4.420 nan 0.000 0.216 207 P C 0.725 178.140 177.300 0.192 0.000 1.150 207 P CA 1.047 64.229 63.100 0.136 0.000 0.843 207 P CB 0.654 32.385 31.700 0.052 0.000 0.787 208 D N -0.335 120.289 120.400 0.373 0.000 2.144 208 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 208 D C 2.167 178.372 176.300 -0.157 0.000 0.978 208 D CA 0.733 54.835 54.000 0.170 0.000 0.833 208 D CB -0.764 40.221 40.800 0.310 0.000 0.961 208 D HN 0.042 nan 8.370 nan 0.000 0.470 209 V N 0.757 120.556 119.914 -0.192 0.000 2.358 209 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 209 V C 2.648 178.627 176.094 -0.192 0.000 1.047 209 V CA 0.936 62.960 62.300 -0.460 0.000 1.035 209 V CB -0.343 31.223 31.823 -0.429 0.000 0.658 209 V HN 0.049 nan 8.190 nan 0.000 0.452 210 V N 0.353 120.272 119.914 0.009 0.000 2.295 210 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 210 V C 2.707 178.957 176.094 0.260 0.000 1.049 210 V CA 2.167 64.596 62.300 0.216 0.000 1.024 210 V CB -1.140 30.847 31.823 0.274 0.000 0.648 210 V HN 0.561 nan 8.190 nan 0.000 0.447 211 A N 0.002 122.894 122.820 0.119 0.000 1.902 211 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 211 A C 2.203 179.814 177.584 0.045 0.000 1.181 211 A CA 2.030 54.123 52.037 0.093 0.000 0.623 211 A CB -0.529 18.503 19.000 0.053 0.000 0.818 211 A HN 0.566 nan 8.150 nan 0.000 0.443 212 E N -0.050 120.064 120.200 -0.144 0.000 2.110 212 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 212 E C 1.909 178.530 176.600 0.034 0.000 0.988 212 E CA 2.080 58.328 56.400 -0.253 0.000 0.804 212 E CB -0.695 28.394 29.700 -1.018 0.000 0.745 212 E HN 0.488 nan 8.360 nan 0.000 0.458 213 T N 0.452 115.091 114.554 0.141 0.000 2.867 213 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 213 T C 1.626 176.749 174.700 0.704 0.000 1.057 213 T CA 1.355 63.717 62.100 0.436 0.000 1.136 213 T CB -0.117 69.051 68.868 0.500 0.000 0.874 213 T HN 0.186 nan 8.240 nan 0.000 0.466 214 K N 0.996 121.723 120.400 0.546 0.000 2.057 214 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 214 K C 2.386 179.106 176.600 0.200 0.000 1.050 214 K CA 0.945 57.430 56.287 0.330 0.000 0.935 214 K CB -0.078 32.534 32.500 0.187 0.000 0.715 214 K HN 0.203 nan 8.250 nan 0.000 0.439 215 K N 0.244 120.777 120.400 0.222 0.000 2.063 215 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 215 K C 1.969 178.756 176.600 0.312 0.000 1.048 215 K CA 1.610 58.025 56.287 0.214 0.000 0.928 215 K CB -0.194 32.421 32.500 0.193 0.000 0.713 215 K HN 0.251 nan 8.250 nan 0.000 0.442 216 W N 1.025 122.460 121.300 0.224 0.000 2.358 216 W HA -0.049 4.610 4.660 -0.000 0.000 0.303 216 W C 1.773 178.462 176.519 0.283 0.000 1.208 216 W CA 2.048 59.478 57.345 0.142 0.000 1.274 216 W CB -0.786 28.576 29.460 -0.163 0.000 1.138 216 W HN 0.161 nan 8.180 nan 0.000 0.515 217 G N 1.021 109.883 108.800 0.104 0.000 2.440 217 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.218 217 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.218 217 G C 1.529 176.298 174.900 -0.219 0.000 1.154 217 G CA 1.592 46.587 45.100 -0.175 0.000 0.767 217 G HN 0.380 nan 8.290 nan 0.000 0.552 218 I N -1.161 119.337 120.570 -0.120 0.000 2.252 218 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 218 I C 2.507 178.611 176.117 -0.021 0.000 1.102 218 I CA 1.133 62.392 61.300 -0.069 0.000 1.385 218 I CB -0.258 37.728 38.000 -0.023 0.000 1.064 218 I HN 0.393 nan 8.210 nan 0.000 0.414 219 W N 1.005 122.231 121.300 -0.124 0.000 2.338 219 W HA -0.325 4.335 4.660 -0.000 0.000 0.304 219 W C 2.621 179.057 176.519 -0.139 0.000 1.212 219 W CA 1.655 58.953 57.345 -0.077 0.000 1.264 219 W CB -0.523 28.982 29.460 0.074 0.000 1.142 219 W HN 0.182 nan 8.180 nan 0.000 0.512 220 Y N 1.169 121.239 120.300 -0.383 0.000 2.145 220 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 220 Y C 2.340 178.020 175.900 -0.366 0.000 1.145 220 Y CA 2.586 60.381 58.100 -0.508 0.000 1.148 220 Y CB -1.207 36.755 38.460 -0.830 0.000 0.981 220 Y HN -0.001 nan 8.280 nan 0.000 0.507 221 A N 0.488 123.172 122.820 -0.227 0.000 1.902 221 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 221 A C 2.107 179.503 177.584 -0.315 0.000 1.181 221 A CA 1.925 53.801 52.037 -0.268 0.000 0.623 221 A CB -0.724 18.200 19.000 -0.126 0.000 0.818 221 A HN 0.588 nan 8.150 nan 0.000 0.443 222 N N -0.531 117.982 118.700 -0.311 0.000 2.171 222 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 222 N C 1.713 176.984 175.510 -0.398 0.000 1.021 222 N CA 1.486 54.354 53.050 -0.303 0.000 0.854 222 N CB -0.350 37.990 38.487 -0.246 0.000 0.994 222 N HN 0.586 nan 8.380 nan 0.000 0.426 223 E N 0.813 120.632 120.200 -0.634 0.000 2.110 223 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 223 E C 1.376 177.704 176.600 -0.454 0.000 0.988 223 E CA 0.876 56.862 56.400 -0.691 0.000 0.804 223 E CB -0.011 28.932 29.700 -1.262 0.000 0.745 223 E HN 0.320 nan 8.360 nan 0.000 0.458 224 L N -0.820 120.139 121.223 -0.440 0.000 2.766 224 L HA 0.254 4.594 4.340 -0.000 0.000 0.242 224 L C 0.161 176.862 176.870 -0.283 0.000 1.136 224 L CA 0.033 54.655 54.840 -0.362 0.000 0.933 224 L CB 0.325 42.127 42.059 -0.428 0.000 1.241 224 L HN -0.113 nan 8.230 nan 0.000 0.522 225 S N 1.235 116.787 115.700 -0.247 0.000 3.706 225 S HA -0.145 4.325 4.470 -0.000 0.000 0.363 225 S C 0.384 174.926 174.600 -0.097 0.000 0.999 225 S CA 0.258 58.376 58.200 -0.136 0.000 1.143 225 S CB -1.728 61.458 63.200 -0.023 0.000 0.902 225 S HN 0.282 nan 8.310 nan 0.000 0.476 226 L N 1.090 122.174 121.223 -0.231 0.000 2.452 226 L HA 0.197 4.537 4.340 -0.000 0.000 0.267 226 L C 1.314 178.070 176.870 -0.190 0.000 1.188 226 L CA 0.024 54.720 54.840 -0.240 0.000 0.821 226 L CB 0.263 42.071 42.059 -0.418 0.000 1.102 226 L HN 0.232 nan 8.230 nan 0.000 0.470 227 D N 0.947 121.302 120.400 -0.074 0.000 2.407 227 D HA 0.247 4.887 4.640 -0.000 0.000 0.208 227 D C 0.591 176.891 176.300 0.001 0.000 1.083 227 D CA 0.362 54.360 54.000 -0.003 0.000 0.844 227 D CB 1.569 42.448 40.800 0.131 0.000 0.967 227 D HN 0.725 nan 8.370 nan 0.000 0.506 228 G N -0.035 108.672 108.800 -0.155 0.000 2.340 228 G HA2 0.436 4.396 3.960 -0.000 0.000 0.299 228 G HA3 0.436 4.396 3.960 -0.000 0.000 0.299 228 G C -1.973 172.589 174.900 -0.564 0.000 1.291 228 G CA -0.809 44.045 45.100 -0.409 0.000 0.841 228 G HN -0.044 nan 8.290 nan 0.000 0.500 229 F N -0.485 119.422 119.950 -0.070 0.000 2.626 229 F HA 0.805 5.332 4.527 -0.000 0.000 0.311 229 F C 0.082 175.857 175.800 -0.041 0.000 1.088 229 F CA -1.031 57.021 58.000 0.087 0.000 0.949 229 F CB 2.460 41.596 39.000 0.227 0.000 1.322 229 F HN 0.405 nan 8.300 nan 0.000 0.461 230 R N 2.753 123.403 120.500 0.249 0.000 2.409 230 R HA 0.543 4.883 4.340 -0.000 0.000 0.313 230 R C -1.643 174.702 176.300 0.076 0.000 0.953 230 R CA -0.339 55.731 56.100 -0.050 0.000 0.849 230 R CB 0.871 30.863 30.300 -0.513 0.000 1.171 230 R HN 0.791 nan 8.270 nan 0.000 0.458 231 I N 3.720 124.305 120.570 0.024 0.000 2.312 231 I HA 0.090 4.260 4.170 -0.000 0.000 0.291 231 I C 0.415 176.564 176.117 0.055 0.000 1.031 231 I CA -0.489 60.823 61.300 0.020 0.000 1.293 231 I CB 1.155 39.133 38.000 -0.037 0.000 1.403 231 I HN 0.499 nan 8.210 nan 0.000 0.484 232 D N 5.545 126.015 120.400 0.116 0.000 2.345 232 D HA 0.374 5.014 4.640 -0.000 0.000 0.247 232 D C 0.754 177.109 176.300 0.091 0.000 1.108 232 D CA 0.273 54.372 54.000 0.165 0.000 0.894 232 D CB 0.934 41.922 40.800 0.314 0.000 1.203 232 D HN 0.766 nan 8.370 nan 0.000 0.430 233 A N 2.733 125.605 122.820 0.088 0.000 2.704 233 A HA -0.171 4.149 4.320 -0.000 0.000 0.299 233 A C 1.691 179.291 177.584 0.027 0.000 1.507 233 A CA 1.307 53.415 52.037 0.118 0.000 0.776 233 A CB -2.079 17.032 19.000 0.185 0.000 1.027 233 A HN 0.851 nan 8.150 nan 0.000 0.475 234 A N 0.515 123.275 122.820 -0.099 0.000 1.978 234 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 234 A C 1.925 179.358 177.584 -0.252 0.000 1.170 234 A CA 2.020 53.959 52.037 -0.163 0.000 0.636 234 A CB -0.445 18.381 19.000 -0.289 0.000 0.810 234 A HN 1.344 nan 8.150 nan 0.000 0.448 235 K N -1.293 118.699 120.400 -0.680 0.000 2.504 235 K HA -0.104 4.216 4.320 -0.000 0.000 0.195 235 K C 0.740 177.040 176.600 -0.501 0.000 1.036 235 K CA 1.351 57.126 56.287 -0.852 0.000 0.984 235 K CB -0.298 31.234 32.500 -1.614 0.000 0.788 235 K HN 0.637 nan 8.250 nan 0.000 0.488 236 H N 0.298 119.287 119.070 -0.134 0.000 2.549 236 H HA 0.248 4.804 4.556 -0.000 0.000 0.279 236 H C -0.172 175.190 175.328 0.056 0.000 1.018 236 H CA -0.228 55.772 56.048 -0.081 0.000 1.175 236 H CB 0.569 30.226 29.762 -0.176 0.000 1.485 236 H HN 0.098 nan 8.280 nan 0.000 0.543 237 I N 1.442 122.124 120.570 0.186 0.000 2.465 237 I HA 0.116 4.286 4.170 -0.000 0.000 0.291 237 I C 0.678 176.941 176.117 0.243 0.000 1.014 237 I CA -1.305 60.119 61.300 0.207 0.000 1.093 237 I CB 2.308 40.383 38.000 0.125 0.000 1.267 237 I HN -0.089 nan 8.210 nan 0.000 0.431 238 K N 4.520 125.030 120.400 0.182 0.000 2.401 238 K HA -0.114 4.206 4.320 -0.000 0.000 0.267 238 K C 0.434 177.189 176.600 0.257 0.000 1.140 238 K CA 0.221 56.583 56.287 0.124 0.000 1.199 238 K CB 0.263 32.885 32.500 0.202 0.000 0.822 238 K HN 0.283 nan 8.250 nan 0.000 0.488 239 F N 1.872 121.843 119.950 0.034 0.000 2.091 239 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 239 F C 2.616 178.376 175.800 -0.068 0.000 1.103 239 F CA 1.696 59.692 58.000 -0.007 0.000 1.228 239 F CB -1.452 37.487 39.000 -0.102 0.000 0.984 239 F HN 0.710 nan 8.300 nan 0.000 0.477 240 S N -0.064 115.729 115.700 0.155 0.000 2.419 240 S HA -0.235 4.234 4.470 -0.000 0.000 0.233 240 S C 1.970 176.624 174.600 0.089 0.000 1.016 240 S CA 0.870 59.119 58.200 0.081 0.000 0.974 240 S CB -1.461 61.789 63.200 0.083 0.000 0.786 240 S HN 0.310 nan 8.310 nan 0.000 0.492 241 F N 2.503 122.471 119.950 0.029 0.000 2.113 241 F HA 0.177 4.704 4.527 -0.000 0.000 0.297 241 F C 1.879 177.681 175.800 0.004 0.000 1.103 241 F CA 0.968 58.967 58.000 -0.001 0.000 1.248 241 F CB -0.478 38.449 39.000 -0.122 0.000 0.999 241 F HN 0.135 nan 8.300 nan 0.000 0.475 242 L N 0.245 121.327 121.223 -0.234 0.000 2.083 242 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 242 L C 2.782 179.550 176.870 -0.170 0.000 1.083 242 L CA 1.568 56.251 54.840 -0.262 0.000 0.752 242 L CB -0.735 41.324 42.059 -0.001 0.000 0.899 242 L HN 0.170 nan 8.230 nan 0.000 0.433 243 R N 0.401 120.814 120.500 -0.146 0.000 2.070 243 R HA -0.190 4.150 4.340 -0.000 0.000 0.233 243 R C 1.795 178.022 176.300 -0.121 0.000 1.137 243 R CA 2.126 58.143 56.100 -0.139 0.000 0.945 243 R CB -0.177 30.045 30.300 -0.130 0.000 0.845 243 R HN 0.305 nan 8.270 nan 0.000 0.430 244 D N -0.605 119.716 120.400 -0.131 0.000 2.178 244 D HA -0.178 4.462 4.640 -0.000 0.000 0.202 244 D C 1.411 177.620 176.300 -0.151 0.000 0.974 244 D CA 0.939 54.873 54.000 -0.110 0.000 0.841 244 D CB -0.431 40.341 40.800 -0.046 0.000 0.953 244 D HN 0.385 nan 8.370 nan 0.000 0.478 245 W N 1.462 122.457 121.300 -0.508 0.000 2.355 245 W HA -0.195 4.465 4.660 -0.000 0.000 0.309 245 W C 2.096 178.452 176.519 -0.272 0.000 1.206 245 W CA 1.176 58.227 57.345 -0.489 0.000 1.284 245 W CB -0.372 28.581 29.460 -0.845 0.000 1.145 245 W HN -0.246 nan 8.180 nan 0.000 0.502 246 V N 0.985 120.858 119.914 -0.068 0.000 2.287 246 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 246 V C 2.581 178.555 176.094 -0.200 0.000 1.053 246 V CA 2.334 64.551 62.300 -0.138 0.000 1.027 246 V CB -1.105 30.721 31.823 0.005 0.000 0.646 246 V HN 0.289 nan 8.190 nan 0.000 0.447 247 Q N 0.142 119.849 119.800 -0.155 0.000 2.084 247 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 247 Q C 2.298 178.204 176.000 -0.157 0.000 0.978 247 Q CA 2.226 57.951 55.803 -0.130 0.000 0.844 247 Q CB -0.393 28.288 28.738 -0.094 0.000 0.898 247 Q HN 0.609 nan 8.270 nan 0.000 0.426 248 A N -0.045 122.652 122.820 -0.204 0.000 1.908 248 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 248 A C 2.350 179.789 177.584 -0.242 0.000 1.181 248 A CA 1.778 53.694 52.037 -0.201 0.000 0.627 248 A CB -0.713 18.162 19.000 -0.208 0.000 0.818 248 A HN 0.264 nan 8.150 nan 0.000 0.445 249 V N -0.228 119.461 119.914 -0.375 0.000 2.427 249 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 249 V C 2.596 178.585 176.094 -0.175 0.000 1.051 249 V CA 2.129 64.244 62.300 -0.309 0.000 1.048 249 V CB -0.836 30.753 31.823 -0.389 0.000 0.666 249 V HN 0.514 nan 8.190 nan 0.000 0.456 250 R N -0.168 120.240 120.500 -0.154 0.000 2.081 250 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 250 R C 2.454 178.697 176.300 -0.096 0.000 1.131 250 R CA 1.884 57.917 56.100 -0.110 0.000 0.960 250 R CB -0.360 29.883 30.300 -0.095 0.000 0.856 250 R HN 0.597 nan 8.270 nan 0.000 0.436 251 Q N 0.304 120.047 119.800 -0.095 0.000 2.084 251 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 251 Q C 1.974 177.933 176.000 -0.069 0.000 0.978 251 Q CA 1.675 57.434 55.803 -0.073 0.000 0.844 251 Q CB -0.049 28.650 28.738 -0.066 0.000 0.898 251 Q HN 0.378 nan 8.270 nan 0.000 0.426 252 A N 0.099 122.870 122.820 -0.081 0.000 1.929 252 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 252 A C 2.172 179.715 177.584 -0.069 0.000 1.176 252 A CA 1.787 53.784 52.037 -0.067 0.000 0.628 252 A CB -0.732 18.226 19.000 -0.070 0.000 0.816 252 A HN 0.640 nan 8.150 nan 0.000 0.444 253 T N -4.804 109.698 114.554 -0.086 0.000 3.051 253 T HA 0.372 4.722 4.350 -0.000 0.000 0.255 253 T C 1.518 176.169 174.700 -0.082 0.000 1.085 253 T CA 1.170 63.216 62.100 -0.091 0.000 1.109 253 T CB -0.091 68.709 68.868 -0.114 0.000 0.921 253 T HN 1.665 nan 8.240 nan 0.000 0.488 254 G N 1.552 110.306 108.800 -0.076 0.000 2.155 254 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 254 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 254 G C -0.080 174.778 174.900 -0.070 0.000 0.983 254 G CA 0.441 45.502 45.100 -0.066 0.000 0.676 254 G HN 0.693 nan 8.290 nan 0.000 0.528 255 K N -0.468 119.882 120.400 -0.083 0.000 2.166 255 K HA 0.473 4.793 4.320 -0.000 0.000 0.245 255 K C 1.129 177.685 176.600 -0.073 0.000 0.967 255 K CA -0.326 55.911 56.287 -0.083 0.000 0.863 255 K CB 1.715 34.152 32.500 -0.106 0.000 1.107 255 K HN 0.124 nan 8.250 nan 0.000 0.436 256 E N 1.873 122.042 120.200 -0.052 0.000 2.058 256 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 256 E C -0.191 176.384 176.600 -0.041 0.000 0.997 256 E CA 1.156 57.539 56.400 -0.028 0.000 0.801 256 E CB 0.120 29.826 29.700 0.010 0.000 0.746 256 E HN 0.485 nan 8.360 nan 0.000 0.450 257 M N 0.119 119.678 119.600 -0.068 0.000 2.516 257 M HA -0.240 4.240 4.480 -0.000 0.000 0.183 257 M C -0.391 175.840 176.300 -0.114 0.000 0.928 257 M CA 0.491 55.702 55.300 -0.147 0.000 0.573 257 M CB -2.703 29.790 32.600 -0.177 0.000 1.126 257 M HN 0.222 nan 8.290 nan 0.000 0.859 258 F N 1.063 120.895 119.950 -0.197 0.000 2.629 258 F HA 0.233 4.759 4.527 -0.000 0.000 0.377 258 F C 0.511 176.108 175.800 -0.338 0.000 1.101 258 F CA 1.048 58.913 58.000 -0.225 0.000 1.301 258 F CB 0.610 39.486 39.000 -0.207 0.000 1.062 258 F HN 0.314 nan 8.300 nan 0.000 0.583 259 T N 6.549 120.443 114.554 -1.099 0.000 2.881 259 T HA 0.490 4.840 4.350 -0.000 0.000 0.290 259 T C -1.224 172.934 174.700 -0.903 0.000 1.000 259 T CA -0.615 61.069 62.100 -0.693 0.000 0.978 259 T CB 1.608 70.359 68.868 -0.196 0.000 0.997 259 T HN 0.592 nan 8.240 nan 0.000 0.443 260 V N 2.616 122.184 119.914 -0.576 0.000 2.540 260 V HA 0.870 4.990 4.120 -0.000 0.000 0.302 260 V C -0.612 175.253 176.094 -0.382 0.000 1.035 260 V CA -0.678 61.306 62.300 -0.528 0.000 0.873 260 V CB 1.210 32.672 31.823 -0.602 0.000 0.992 260 V HN 1.107 nan 8.190 nan 0.000 0.428 261 A N 4.855 127.500 122.820 -0.291 0.000 2.301 261 A HA 0.603 4.923 4.320 -0.000 0.000 0.312 261 A C 0.040 177.581 177.584 -0.072 0.000 1.182 261 A CA -0.514 51.433 52.037 -0.151 0.000 0.826 261 A CB 0.846 19.785 19.000 -0.102 0.000 1.134 261 A HN 0.890 nan 8.150 nan 0.000 0.501 262 E N 2.511 122.759 120.200 0.080 0.000 1.893 262 E HA 0.104 4.454 4.350 -0.000 0.000 0.269 262 E C -1.661 174.990 176.600 0.085 0.000 1.129 262 E CA -0.135 56.424 56.400 0.265 0.000 0.904 262 E CB 0.156 29.991 29.700 0.225 0.000 1.077 262 E HN 0.569 nan 8.360 nan 0.000 0.407 263 Y N 5.492 125.738 120.300 -0.091 0.000 2.595 263 Y HA 0.120 4.670 4.550 -0.000 0.000 0.336 263 Y C -0.809 175.057 175.900 -0.057 0.000 0.996 263 Y CA -0.945 57.009 58.100 -0.243 0.000 1.260 263 Y CB 0.356 38.500 38.460 -0.527 0.000 1.108 263 Y HN 0.517 nan 8.280 nan 0.000 0.509 264 W N 9.050 130.257 121.300 -0.155 0.000 2.365 264 W HA 0.341 5.001 4.660 -0.000 0.000 0.371 264 W C -1.164 175.386 176.519 0.051 0.000 1.006 264 W CA -0.049 57.295 57.345 -0.002 0.000 1.528 264 W CB 0.282 29.721 29.460 -0.035 0.000 1.497 264 W HN 0.597 nan 8.180 nan 0.000 0.367 265 Q N 4.179 123.860 119.800 -0.199 0.000 2.327 265 Q HA 0.043 4.383 4.340 -0.000 0.000 0.265 265 Q C -0.907 174.993 176.000 -0.166 0.000 0.993 265 Q CA -0.491 55.262 55.803 -0.084 0.000 0.885 265 Q CB 1.372 30.197 28.738 0.145 0.000 1.379 265 Q HN 0.254 nan 8.270 nan 0.000 0.408 266 N N 3.438 122.010 118.700 -0.214 0.000 3.245 266 N HA 0.113 4.853 4.740 -0.000 0.000 0.296 266 N C -1.554 173.876 175.510 -0.134 0.000 1.254 266 N CA 0.252 53.162 53.050 -0.233 0.000 1.190 266 N CB -0.020 38.121 38.487 -0.577 0.000 1.460 266 N HN 0.501 nan 8.380 nan 0.000 0.538 267 N N 0.819 119.479 118.700 -0.068 0.000 2.699 267 N HA 0.157 4.897 4.740 -0.000 0.000 0.271 267 N C 0.109 175.600 175.510 -0.033 0.000 1.216 267 N CA -0.221 52.808 53.050 -0.035 0.000 0.844 267 N CB 1.222 39.707 38.487 -0.003 0.000 1.462 267 N HN 0.190 nan 8.380 nan 0.000 0.555 268 A N 2.447 125.254 122.820 -0.023 0.000 1.940 268 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 268 A C 1.902 179.475 177.584 -0.019 0.000 1.176 268 A CA 2.197 54.225 52.037 -0.014 0.000 0.631 268 A CB -0.720 18.285 19.000 0.009 0.000 0.814 268 A HN 0.664 nan 8.150 nan 0.000 0.446 269 G N -0.325 108.470 108.800 -0.008 0.000 2.418 269 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 269 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 269 G C 1.619 176.499 174.900 -0.033 0.000 1.158 269 G CA 1.067 46.167 45.100 -0.000 0.000 0.771 269 G HN 0.407 nan 8.290 nan 0.000 0.545 270 K N 0.186 120.557 120.400 -0.047 0.000 2.155 270 K HA 0.153 4.473 4.320 -0.000 0.000 0.203 270 K C 2.526 178.914 176.600 -0.352 0.000 1.052 270 K CA 0.352 56.582 56.287 -0.095 0.000 0.948 270 K CB -0.481 32.037 32.500 0.029 0.000 0.728 270 K HN 0.348 nan 8.250 nan 0.000 0.448 271 L N 0.828 121.845 121.223 -0.343 0.000 2.093 271 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 271 L C 2.581 179.251 176.870 -0.332 0.000 1.085 271 L CA 1.241 55.803 54.840 -0.462 0.000 0.755 271 L CB -0.309 41.606 42.059 -0.239 0.000 0.904 271 L HN 0.267 nan 8.230 nan 0.000 0.435 272 E N 0.466 120.554 120.200 -0.187 0.000 2.106 272 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 272 E C 1.924 178.383 176.600 -0.236 0.000 0.984 272 E CA 1.425 57.728 56.400 -0.161 0.000 0.806 272 E CB 0.016 29.738 29.700 0.036 0.000 0.750 272 E HN 0.392 nan 8.360 nan 0.000 0.458 273 N N -0.407 118.186 118.700 -0.178 0.000 2.120 273 N HA -0.246 4.494 4.740 -0.000 0.000 0.188 273 N C 1.740 177.095 175.510 -0.258 0.000 1.024 273 N CA 1.515 54.481 53.050 -0.139 0.000 0.852 273 N CB -0.417 38.051 38.487 -0.031 0.000 1.003 273 N HN 0.280 nan 8.380 nan 0.000 0.424 274 Y N 0.813 120.772 120.300 -0.569 0.000 2.181 274 Y HA -0.080 4.470 4.550 -0.000 0.000 0.288 274 Y C 1.902 177.420 175.900 -0.636 0.000 1.146 274 Y CA 1.498 59.125 58.100 -0.787 0.000 1.164 274 Y CB -0.294 37.516 38.460 -1.083 0.000 0.982 274 Y HN 0.113 nan 8.280 nan 0.000 0.515 275 L N 0.026 120.868 121.223 -0.636 0.000 2.012 275 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 275 L C 2.323 178.554 176.870 -1.066 0.000 1.073 275 L CA 1.570 55.840 54.840 -0.951 0.000 0.748 275 L CB -0.738 40.604 42.059 -1.195 0.000 0.891 275 L HN 0.321 nan 8.230 nan 0.000 0.431 276 N N 0.087 118.342 118.700 -0.741 0.000 2.120 276 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 276 N C 1.682 177.044 175.510 -0.248 0.000 1.024 276 N CA 1.116 53.962 53.050 -0.339 0.000 0.852 276 N CB -0.061 38.363 38.487 -0.105 0.000 1.003 276 N HN 0.262 nan 8.380 nan 0.000 0.424 277 K N 0.574 120.798 120.400 -0.294 0.000 2.439 277 K HA -0.001 4.319 4.320 -0.000 0.000 0.197 277 K C 1.308 177.734 176.600 -0.291 0.000 1.041 277 K CA 0.732 56.900 56.287 -0.198 0.000 0.970 277 K CB -0.268 32.210 32.500 -0.037 0.000 0.773 277 K HN 0.384 nan 8.250 nan 0.000 0.479 278 T N -2.460 111.797 114.554 -0.495 0.000 3.215 278 T HA 0.163 4.513 4.350 -0.000 0.000 0.271 278 T C 0.282 174.812 174.700 -0.283 0.000 1.012 278 T CA -0.300 61.529 62.100 -0.450 0.000 0.899 278 T CB -0.024 68.411 68.868 -0.721 0.000 1.089 278 T HN -0.026 nan 8.240 nan 0.000 0.552 279 S N 0.916 116.505 115.700 -0.185 0.000 3.533 279 S HA -0.215 4.255 4.470 -0.000 0.000 0.347 279 S C 0.391 175.052 174.600 0.100 0.000 1.101 279 S CA 0.553 58.748 58.200 -0.008 0.000 1.009 279 S CB -2.445 60.746 63.200 -0.015 0.000 0.916 279 S HN 0.772 nan 8.310 nan 0.000 0.496 280 F N -0.816 119.018 119.950 -0.194 0.000 3.100 280 F HA -0.273 4.254 4.527 -0.000 0.000 0.283 280 F C 1.087 176.797 175.800 -0.150 0.000 0.900 280 F CA 0.955 58.849 58.000 -0.177 0.000 1.010 280 F CB -1.942 36.973 39.000 -0.142 0.000 1.029 280 F HN 0.691 nan 8.300 nan 0.000 0.637 281 N N 0.922 119.575 118.700 -0.078 0.000 2.322 281 N HA 0.028 4.768 4.740 -0.000 0.000 0.194 281 N C 0.092 175.515 175.510 -0.145 0.000 1.126 281 N CA 0.835 53.834 53.050 -0.085 0.000 0.845 281 N CB 0.237 38.671 38.487 -0.089 0.000 0.976 281 N HN 0.702 nan 8.380 nan 0.000 0.475 282 Q N -2.197 117.490 119.800 -0.187 0.000 2.522 282 Q HA 0.509 4.849 4.340 -0.000 0.000 0.285 282 Q C -1.486 174.376 176.000 -0.231 0.000 0.982 282 Q CA -0.904 54.746 55.803 -0.254 0.000 0.805 282 Q CB 0.873 29.486 28.738 -0.209 0.000 1.457 282 Q HN -0.097 nan 8.270 nan 0.000 0.394 283 S N 0.290 115.807 115.700 -0.305 0.000 2.707 283 S HA 0.770 5.240 4.470 -0.000 0.000 0.276 283 S C -0.213 174.272 174.600 -0.191 0.000 1.179 283 S CA -0.319 57.779 58.200 -0.172 0.000 0.992 283 S CB 1.456 64.632 63.200 -0.040 0.000 1.030 283 S HN 0.663 nan 8.310 nan 0.000 0.554 284 V N -0.931 118.897 119.914 -0.143 0.000 3.007 284 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 284 V C -1.145 174.878 176.094 -0.117 0.000 1.120 284 V CA -1.124 61.083 62.300 -0.155 0.000 0.980 284 V CB 0.914 32.683 31.823 -0.090 0.000 1.033 284 V HN 0.632 nan 8.190 nan 0.000 0.429 285 F N 1.393 121.356 119.950 0.022 0.000 2.471 285 F HA 0.323 4.850 4.527 -0.000 0.000 0.353 285 F C 1.098 177.014 175.800 0.194 0.000 1.113 285 F CA 0.167 58.223 58.000 0.093 0.000 1.262 285 F CB 0.437 39.383 39.000 -0.089 0.000 1.146 285 F HN 0.694 nan 8.300 nan 0.000 0.578 286 D N 3.442 124.151 120.400 0.514 0.000 2.551 286 D HA 0.085 4.725 4.640 -0.000 0.000 0.223 286 D C 1.109 177.589 176.300 0.301 0.000 1.144 286 D CA 0.190 54.375 54.000 0.309 0.000 1.025 286 D CB 0.349 41.283 40.800 0.224 0.000 1.085 286 D HN 0.294 nan 8.370 nan 0.000 0.506 287 V N 4.411 124.462 119.914 0.228 0.000 2.343 287 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 287 V C -0.667 175.485 176.094 0.096 0.000 1.051 287 V CA 1.453 63.779 62.300 0.044 0.000 1.036 287 V CB -1.098 30.518 31.823 -0.345 0.000 0.654 287 V HN 0.435 nan 8.190 nan 0.000 0.451 288 P HA -0.150 nan 4.420 nan 0.000 0.215 288 P C 1.928 179.259 177.300 0.052 0.000 1.153 288 P CA 1.134 64.291 63.100 0.095 0.000 0.853 288 P CB -0.072 31.648 31.700 0.035 0.000 0.788 289 L N -0.884 120.339 121.223 -0.000 0.000 2.083 289 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 289 L C 2.414 179.160 176.870 -0.206 0.000 1.083 289 L CA 1.987 56.783 54.840 -0.074 0.000 0.752 289 L CB -1.487 40.556 42.059 -0.026 0.000 0.899 289 L HN 0.031 nan 8.230 nan 0.000 0.433 290 H N -1.342 117.480 119.070 -0.414 0.000 2.353 290 H HA -0.211 4.345 4.556 -0.000 0.000 0.300 290 H C 1.848 176.911 175.328 -0.442 0.000 1.090 290 H CA 2.319 57.985 56.048 -0.636 0.000 1.327 290 H CB -0.479 28.675 29.762 -1.013 0.000 1.383 290 H HN 0.356 nan 8.280 nan 0.000 0.508 291 F N 0.498 120.207 119.950 -0.401 0.000 2.186 291 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 291 F C 2.215 177.800 175.800 -0.358 0.000 1.090 291 F CA 1.217 58.998 58.000 -0.366 0.000 1.307 291 F CB -0.363 38.541 39.000 -0.160 0.000 1.019 291 F HN 0.258 nan 8.300 nan 0.000 0.489 292 N N 0.306 118.923 118.700 -0.139 0.000 2.142 292 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 292 N C 2.004 177.203 175.510 -0.518 0.000 1.023 292 N CA 1.107 54.016 53.050 -0.235 0.000 0.852 292 N CB -0.685 37.731 38.487 -0.119 0.000 0.998 292 N HN 0.241 nan 8.380 nan 0.000 0.424 293 L N 0.718 121.667 121.223 -0.456 0.000 2.046 293 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 293 L C 2.549 179.074 176.870 -0.576 0.000 1.077 293 L CA 1.041 55.617 54.840 -0.439 0.000 0.747 293 L CB -0.420 41.472 42.059 -0.278 0.000 0.896 293 L HN 0.210 nan 8.230 nan 0.000 0.432 294 Q N 0.539 119.993 119.800 -0.578 0.000 2.119 294 Q HA -0.194 4.146 4.340 -0.000 0.000 0.201 294 Q C 2.223 177.956 176.000 -0.445 0.000 0.972 294 Q CA 1.899 57.398 55.803 -0.505 0.000 0.847 294 Q CB -0.030 28.365 28.738 -0.572 0.000 0.903 294 Q HN 0.491 nan 8.270 nan 0.000 0.433 295 A N 0.877 123.424 122.820 -0.454 0.000 1.877 295 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 295 A C 2.356 179.582 177.584 -0.598 0.000 1.186 295 A CA 2.100 53.903 52.037 -0.390 0.000 0.620 295 A CB -0.950 17.879 19.000 -0.285 0.000 0.822 295 A HN 0.493 nan 8.150 nan 0.000 0.443 296 A N 0.243 122.386 122.820 -1.129 0.000 1.940 296 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 296 A C 2.508 179.560 177.584 -0.886 0.000 1.176 296 A CA 2.445 53.814 52.037 -1.113 0.000 0.631 296 A CB -0.974 17.204 19.000 -1.370 0.000 0.814 296 A HN 1.085 nan 8.150 nan 0.000 0.446 297 S N -0.047 115.004 115.700 -1.082 0.000 2.453 297 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 297 S C 1.601 176.170 174.600 -0.052 0.000 1.005 297 S CA 1.488 59.246 58.200 -0.737 0.000 0.949 297 S CB -0.497 62.326 63.200 -0.629 0.000 0.774 297 S HN 0.915 nan 8.310 nan 0.000 0.510 298 S N -0.460 115.183 115.700 -0.095 0.000 2.578 298 S HA 0.337 4.806 4.470 -0.000 0.000 0.231 298 S C 0.915 175.549 174.600 0.055 0.000 0.994 298 S CA -0.617 57.604 58.200 0.035 0.000 0.956 298 S CB -0.085 63.105 63.200 -0.017 0.000 0.870 298 S HN 0.546 nan 8.310 nan 0.000 0.494 299 Q N 1.085 120.922 119.800 0.060 0.000 2.188 299 Q HA 0.343 4.683 4.340 -0.000 0.000 0.212 299 Q C 0.831 176.883 176.000 0.086 0.000 0.846 299 Q CA -0.032 55.817 55.803 0.078 0.000 0.989 299 Q CB 0.391 29.192 28.738 0.105 0.000 1.114 299 Q HN 0.707 nan 8.270 nan 0.000 0.488 300 G N 0.639 109.493 108.800 0.091 0.000 2.321 300 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.287 300 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.287 300 G C 0.787 175.699 174.900 0.020 0.000 1.018 300 G CA 0.511 45.621 45.100 0.017 0.000 0.855 300 G HN 0.694 nan 8.290 nan 0.000 0.507 301 G N -2.252 106.607 108.800 0.098 0.000 2.195 301 G HA2 0.048 4.008 3.960 -0.000 0.000 0.246 301 G HA3 0.048 4.008 3.960 -0.000 0.000 0.246 301 G C 1.672 176.647 174.900 0.126 0.000 0.984 301 G CA 1.112 46.285 45.100 0.122 0.000 0.633 301 G HN 1.903 nan 8.290 nan 0.000 0.525 302 G N -0.528 108.336 108.800 0.107 0.000 2.623 302 G HA2 0.281 4.241 3.960 -0.000 0.000 0.214 302 G HA3 0.281 4.241 3.960 -0.000 0.000 0.214 302 G C 0.683 175.640 174.900 0.096 0.000 1.138 302 G CA 0.694 45.844 45.100 0.083 0.000 0.794 302 G HN 0.752 nan 8.290 nan 0.000 0.535 303 Y N 1.729 122.036 120.300 0.013 0.000 2.597 303 Y HA 0.205 4.755 4.550 -0.000 0.000 0.336 303 Y C -0.042 175.867 175.900 0.015 0.000 1.216 303 Y CA -0.973 57.122 58.100 -0.009 0.000 1.463 303 Y CB 0.756 39.183 38.460 -0.056 0.000 1.303 303 Y HN -0.031 nan 8.280 nan 0.000 0.576 304 D N 6.844 126.856 120.400 -0.646 0.000 2.393 304 D HA 0.038 4.678 4.640 -0.000 0.000 0.232 304 D C 0.804 176.884 176.300 -0.367 0.000 1.192 304 D CA -0.098 53.675 54.000 -0.380 0.000 0.882 304 D CB 0.549 41.153 40.800 -0.326 0.000 1.038 304 D HN 0.663 nan 8.370 nan 0.000 0.499 305 M N 2.856 122.484 119.600 0.047 0.000 2.435 305 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 305 M C 1.567 177.965 176.300 0.164 0.000 1.065 305 M CA 0.940 56.384 55.300 0.240 0.000 1.076 305 M CB -0.424 32.368 32.600 0.319 0.000 1.403 305 M HN 0.371 nan 8.290 nan 0.000 0.454 306 R N -0.262 120.284 120.500 0.077 0.000 2.285 306 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 306 R C 1.497 177.824 176.300 0.045 0.000 1.068 306 R CA 0.562 56.711 56.100 0.083 0.000 1.004 306 R CB 0.038 30.367 30.300 0.050 0.000 0.873 306 R HN 0.310 nan 8.270 nan 0.000 0.467 307 R N 0.329 120.816 120.500 -0.022 0.000 2.393 307 R HA 0.108 4.448 4.340 -0.000 0.000 0.244 307 R C 1.528 177.874 176.300 0.077 0.000 0.920 307 R CA -0.114 55.972 56.100 -0.024 0.000 1.076 307 R CB 0.087 30.298 30.300 -0.148 0.000 1.119 307 R HN 0.155 nan 8.270 nan 0.000 0.524 308 L N 0.871 122.179 121.223 0.142 0.000 2.129 308 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 308 L C 1.466 178.342 176.870 0.010 0.000 1.087 308 L CA 1.792 56.686 54.840 0.091 0.000 0.757 308 L CB -0.261 41.744 42.059 -0.091 0.000 0.896 308 L HN 0.219 nan 8.230 nan 0.000 0.434 309 L N -0.765 120.504 121.223 0.076 0.000 2.592 309 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 309 L C 0.004 176.910 176.870 0.060 0.000 1.127 309 L CA -0.444 54.454 54.840 0.096 0.000 0.884 309 L CB -0.107 42.035 42.059 0.139 0.000 1.065 309 L HN 0.090 nan 8.230 nan 0.000 0.457 310 D N 1.174 121.604 120.400 0.050 0.000 2.493 310 D HA 0.196 4.836 4.640 -0.000 0.000 0.240 310 D C 1.271 177.588 176.300 0.028 0.000 1.142 310 D CA 1.241 55.260 54.000 0.032 0.000 0.872 310 D CB 0.766 41.580 40.800 0.023 0.000 1.173 310 D HN 0.252 nan 8.370 nan 0.000 0.467 311 G N 2.144 110.955 108.800 0.018 0.000 2.203 311 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.263 311 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.263 311 G C 0.526 175.439 174.900 0.021 0.000 1.012 311 G CA 0.877 45.985 45.100 0.014 0.000 0.749 311 G HN 0.751 nan 8.290 nan 0.000 0.512 312 T N -3.355 111.218 114.554 0.032 0.000 2.922 312 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 312 T C 1.449 176.179 174.700 0.051 0.000 1.005 312 T CA -0.119 62.007 62.100 0.045 0.000 1.061 312 T CB 2.209 71.113 68.868 0.059 0.000 1.007 312 T HN 0.405 nan 8.240 nan 0.000 0.502 313 V N 2.340 122.295 119.914 0.069 0.000 2.427 313 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 313 V C 2.719 178.870 176.094 0.094 0.000 1.051 313 V CA 1.415 63.769 62.300 0.090 0.000 1.048 313 V CB -0.692 31.190 31.823 0.098 0.000 0.666 313 V HN 0.821 nan 8.190 nan 0.000 0.456 314 V N 1.050 121.018 119.914 0.090 0.000 2.594 314 V HA -0.209 3.911 4.120 -0.000 0.000 0.253 314 V C 2.613 178.730 176.094 0.037 0.000 1.069 314 V CA 2.477 64.822 62.300 0.075 0.000 1.082 314 V CB -0.085 31.783 31.823 0.076 0.000 0.680 314 V HN 0.806 nan 8.190 nan 0.000 0.469 315 S N -0.694 115.025 115.700 0.031 0.000 2.425 315 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 315 S C 2.045 176.620 174.600 -0.040 0.000 1.024 315 S CA 0.649 58.849 58.200 0.001 0.000 0.951 315 S CB -0.281 62.928 63.200 0.014 0.000 0.796 315 S HN 0.645 nan 8.310 nan 0.000 0.498 316 R N 0.071 120.540 120.500 -0.051 0.000 2.087 316 R HA 0.225 4.565 4.340 -0.000 0.000 0.216 316 R C 0.305 176.371 176.300 -0.389 0.000 1.114 316 R CA 0.806 56.793 56.100 -0.188 0.000 1.002 316 R CB 0.011 30.236 30.300 -0.125 0.000 0.903 316 R HN 0.455 nan 8.270 nan 0.000 0.445 317 H N 0.343 119.448 119.070 0.058 0.000 2.429 317 H HA 0.170 4.726 4.556 -0.000 0.000 0.231 317 H C -1.973 173.401 175.328 0.076 0.000 1.416 317 H CA -1.719 54.381 56.048 0.087 0.000 1.443 317 H CB 1.415 31.255 29.762 0.131 0.000 1.591 317 H HN 0.086 nan 8.280 nan 0.000 0.507 318 P HA -0.215 nan 4.420 nan 0.000 0.217 318 P C 1.393 178.764 177.300 0.119 0.000 1.148 318 P CA 1.302 64.458 63.100 0.092 0.000 0.828 318 P CB 0.443 32.164 31.700 0.035 0.000 0.783 319 E N 0.332 120.612 120.200 0.133 0.000 2.418 319 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 319 E C 1.022 177.724 176.600 0.169 0.000 1.026 319 E CA 1.000 57.478 56.400 0.131 0.000 0.862 319 E CB -0.361 29.406 29.700 0.111 0.000 0.799 319 E HN 0.160 nan 8.360 nan 0.000 0.518 320 K N 0.531 121.039 120.400 0.181 0.000 2.478 320 K HA 0.376 4.696 4.320 -0.000 0.000 0.205 320 K C -0.270 176.406 176.600 0.126 0.000 1.033 320 K CA 0.053 56.425 56.287 0.140 0.000 1.091 320 K CB 1.412 33.960 32.500 0.080 0.000 0.844 320 K HN 0.141 nan 8.250 nan 0.000 0.507 321 A N 1.030 123.949 122.820 0.165 0.000 2.288 321 A HA 0.536 4.856 4.320 -0.000 0.000 0.320 321 A C -0.315 177.396 177.584 0.210 0.000 1.217 321 A CA -0.483 51.651 52.037 0.162 0.000 0.840 321 A CB 0.954 20.046 19.000 0.154 0.000 1.179 321 A HN -0.042 nan 8.150 nan 0.000 0.504 322 V N 3.844 123.868 119.914 0.184 0.000 2.311 322 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 322 V C 0.628 176.950 176.094 0.380 0.000 1.022 322 V CA -0.192 62.231 62.300 0.204 0.000 0.830 322 V CB 1.025 32.819 31.823 -0.048 0.000 1.012 322 V HN 1.025 nan 8.190 nan 0.000 0.452 323 T N 3.023 117.780 114.554 0.338 0.000 2.910 323 T HA 0.752 5.102 4.350 -0.000 0.000 0.293 323 T C -0.623 174.349 174.700 0.454 0.000 1.015 323 T CA -0.372 61.938 62.100 0.349 0.000 1.094 323 T CB 1.101 70.090 68.868 0.200 0.000 0.968 323 T HN 0.619 nan 8.240 nan 0.000 0.521 324 F N -0.328 119.714 119.950 0.153 0.000 2.668 324 F HA 0.681 5.208 4.527 -0.000 0.000 0.309 324 F C -0.277 175.522 175.800 -0.001 0.000 1.117 324 F CA -1.592 56.465 58.000 0.093 0.000 0.951 324 F CB 0.638 39.700 39.000 0.103 0.000 1.323 324 F HN 0.263 nan 8.300 nan 0.000 0.451 325 V N -0.214 119.612 119.914 -0.146 0.000 2.795 325 V HA 0.267 4.387 4.120 -0.000 0.000 0.243 325 V C -0.074 175.977 176.094 -0.072 0.000 1.069 325 V CA 1.231 63.358 62.300 -0.289 0.000 1.089 325 V CB 0.067 31.527 31.823 -0.605 0.000 0.756 325 V HN 0.811 nan 8.190 nan 0.000 0.471 326 E N 0.003 120.236 120.200 0.055 0.000 2.412 326 E HA 0.502 4.852 4.350 -0.000 0.000 0.279 326 E C -1.239 175.066 176.600 -0.493 0.000 0.984 326 E CA -0.547 55.777 56.400 -0.127 0.000 0.788 326 E CB 2.096 31.745 29.700 -0.086 0.000 1.277 326 E HN 0.435 nan 8.360 nan 0.000 0.455 327 N N -0.750 117.429 118.700 -0.870 0.000 3.204 327 N HA 0.188 4.927 4.740 -0.000 0.000 0.285 327 N C 0.425 175.330 175.510 -1.008 0.000 1.536 327 N CA -0.368 51.994 53.050 -1.145 0.000 0.832 327 N CB 0.025 38.165 38.487 -0.579 0.000 1.645 327 N HN 0.576 nan 8.380 nan 0.000 0.586 328 H N -1.644 117.083 119.070 -0.572 0.000 2.521 328 H HA 0.082 4.638 4.556 -0.000 0.000 0.286 328 H C -0.476 174.790 175.328 -0.103 0.000 1.034 328 H CA 1.160 57.164 56.048 -0.073 0.000 1.278 328 H CB -0.189 29.660 29.762 0.144 0.000 1.386 328 H HN 0.557 nan 8.280 nan 0.000 0.567 329 D N 0.855 120.770 120.400 -0.809 0.000 2.327 329 D HA -0.043 4.597 4.640 -0.000 0.000 0.205 329 D C 1.804 177.765 176.300 -0.565 0.000 0.989 329 D CA 1.534 55.079 54.000 -0.757 0.000 0.873 329 D CB 0.181 40.396 40.800 -0.974 0.000 0.955 329 D HN 0.626 nan 8.370 nan 0.000 0.515 330 T N -1.564 112.696 114.554 -0.489 0.000 3.044 330 T HA 0.005 4.355 4.350 -0.000 0.000 0.250 330 T C 1.088 175.694 174.700 -0.157 0.000 1.081 330 T CA -0.352 61.571 62.100 -0.295 0.000 1.040 330 T CB 0.064 68.764 68.868 -0.281 0.000 0.962 330 T HN 0.164 nan 8.240 nan 0.000 0.506 331 Q N 1.526 121.240 119.800 -0.144 0.000 2.492 331 Q HA 0.294 4.633 4.340 -0.000 0.000 0.238 331 Q C -2.673 173.352 176.000 0.041 0.000 1.045 331 Q CA -1.980 53.842 55.803 0.031 0.000 0.934 331 Q CB -0.658 28.206 28.738 0.211 0.000 1.276 331 Q HN 0.062 nan 8.270 nan 0.000 0.521 332 P HA -0.077 nan 4.420 nan 0.000 0.261 332 P C 0.436 177.788 177.300 0.086 0.000 1.173 332 P CA 1.920 65.069 63.100 0.081 0.000 0.760 332 P CB 0.166 31.923 31.700 0.094 0.000 0.783 333 G N 1.095 109.907 108.800 0.021 0.000 2.212 333 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.266 333 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.266 333 G C 0.326 175.152 174.900 -0.123 0.000 0.978 333 G CA -0.164 44.934 45.100 -0.003 0.000 0.632 333 G HN 0.506 nan 8.290 nan 0.000 0.537 334 Q N 0.283 119.953 119.800 -0.216 0.000 2.237 334 Q HA 0.557 4.897 4.340 -0.000 0.000 0.219 334 Q C 2.054 177.831 176.000 -0.372 0.000 0.999 334 Q CA 0.376 55.911 55.803 -0.446 0.000 0.959 334 Q CB 1.080 29.463 28.738 -0.592 0.000 1.173 334 Q HN 0.557 nan 8.270 nan 0.000 0.527 335 S N -0.064 115.355 115.700 -0.468 0.000 2.402 335 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 335 S C 1.166 175.593 174.600 -0.287 0.000 1.030 335 S CA 1.289 59.282 58.200 -0.345 0.000 1.003 335 S CB -0.096 62.883 63.200 -0.370 0.000 0.813 335 S HN 0.546 nan 8.310 nan 0.000 0.477 336 L N 1.240 122.243 121.223 -0.368 0.000 3.141 336 L HA 0.403 4.743 4.340 -0.000 0.000 0.267 336 L C 0.333 177.107 176.870 -0.160 0.000 1.281 336 L CA -0.358 54.305 54.840 -0.295 0.000 1.037 336 L CB -0.026 41.620 42.059 -0.689 0.000 1.407 336 L HN 0.296 nan 8.230 nan 0.000 0.566 337 E N 2.334 122.454 120.200 -0.134 0.000 2.820 337 E HA -0.079 4.271 4.350 -0.000 0.000 0.251 337 E C -0.093 176.518 176.600 0.020 0.000 0.944 337 E CA 0.558 56.917 56.400 -0.069 0.000 0.955 337 E CB 0.395 30.064 29.700 -0.053 0.000 0.904 337 E HN 0.403 nan 8.360 nan 0.000 0.513 338 S N 1.873 117.588 115.700 0.026 0.000 2.751 338 S HA 0.069 4.539 4.470 -0.000 0.000 0.148 338 S C -0.601 174.008 174.600 0.014 0.000 1.057 338 S CA -0.878 57.344 58.200 0.037 0.000 1.103 338 S CB 0.311 63.534 63.200 0.039 0.000 1.709 338 S HN 0.323 nan 8.310 nan 0.000 0.484 339 T N 2.136 116.693 114.554 0.005 0.000 2.870 339 T HA 0.331 4.681 4.350 -0.000 0.000 0.300 339 T C 0.468 175.144 174.700 -0.040 0.000 0.989 339 T CA -0.166 61.942 62.100 0.013 0.000 1.139 339 T CB 0.932 69.820 68.868 0.035 0.000 0.920 339 T HN 0.453 nan 8.240 nan 0.000 0.537 340 V N 5.453 125.340 119.914 -0.045 0.000 2.439 340 V HA 0.059 4.179 4.120 -0.000 0.000 0.271 340 V C 0.957 177.014 176.094 -0.062 0.000 1.040 340 V CA -0.352 61.883 62.300 -0.108 0.000 1.002 340 V CB 0.238 32.002 31.823 -0.099 0.000 1.000 340 V HN 0.834 nan 8.190 nan 0.000 0.477 341 Q N 2.931 122.672 119.800 -0.098 0.000 2.333 341 Q HA -0.020 4.320 4.340 -0.000 0.000 0.299 341 Q C 1.461 177.411 176.000 -0.083 0.000 1.067 341 Q CA 0.352 56.133 55.803 -0.036 0.000 0.943 341 Q CB 0.408 29.190 28.738 0.072 0.000 1.233 341 Q HN 0.811 nan 8.270 nan 0.000 0.401 342 T N 2.664 117.255 114.554 0.062 0.000 2.653 342 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 342 T C 1.440 176.189 174.700 0.082 0.000 1.035 342 T CA 2.007 64.159 62.100 0.087 0.000 1.154 342 T CB -0.294 68.658 68.868 0.139 0.000 0.862 342 T HN 0.834 nan 8.240 nan 0.000 0.441 343 W N 0.545 121.913 121.300 0.113 0.000 2.342 343 W HA -0.075 4.585 4.660 -0.000 0.000 0.297 343 W C 1.786 178.394 176.519 0.149 0.000 1.213 343 W CA 0.385 57.799 57.345 0.114 0.000 1.251 343 W CB -1.203 28.323 29.460 0.110 0.000 1.136 343 W HN 0.250 nan 8.180 nan 0.000 0.526 344 F N 2.364 121.635 119.950 -1.131 0.000 2.664 344 F HA 0.136 4.663 4.527 -0.000 0.000 0.296 344 F C 2.597 178.130 175.800 -0.445 0.000 1.125 344 F CA 1.223 58.579 58.000 -1.073 0.000 1.444 344 F CB -0.382 37.675 39.000 -1.572 0.000 1.114 344 F HN -0.246 nan 8.300 nan 0.000 0.576 345 K N 0.911 121.179 120.400 -0.219 0.000 2.044 345 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 345 K C -0.921 175.666 176.600 -0.022 0.000 1.049 345 K CA 2.134 58.375 56.287 -0.077 0.000 0.927 345 K CB -1.133 31.408 32.500 0.068 0.000 0.713 345 K HN 0.150 nan 8.250 nan 0.000 0.443 346 P HA -0.115 nan 4.420 nan 0.000 0.218 346 P C 0.846 178.108 177.300 -0.063 0.000 1.149 346 P CA 0.916 64.034 63.100 0.030 0.000 0.817 346 P CB 0.117 31.819 31.700 0.003 0.000 0.785 347 L N -0.492 120.547 121.223 -0.306 0.000 2.056 347 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 347 L C 2.483 179.136 176.870 -0.361 0.000 1.078 347 L CA 1.996 56.584 54.840 -0.420 0.000 0.749 347 L CB -1.912 39.615 42.059 -0.886 0.000 0.901 347 L HN -0.093 nan 8.230 nan 0.000 0.433 348 A N -1.654 120.844 122.820 -0.538 0.000 1.902 348 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 348 A C 2.215 179.727 177.584 -0.119 0.000 1.181 348 A CA 1.462 53.332 52.037 -0.279 0.000 0.623 348 A CB -0.890 17.949 19.000 -0.268 0.000 0.818 348 A HN 0.395 nan 8.150 nan 0.000 0.443 349 Y N -0.118 120.170 120.300 -0.019 0.000 2.242 349 Y HA -0.053 4.497 4.550 -0.000 0.000 0.291 349 Y C 2.875 178.822 175.900 0.078 0.000 1.137 349 Y CA 0.727 58.850 58.100 0.038 0.000 1.181 349 Y CB -0.503 37.965 38.460 0.013 0.000 0.989 349 Y HN 0.334 nan 8.280 nan 0.000 0.527 350 A N -0.634 122.322 122.820 0.227 0.000 1.933 350 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 350 A C 2.122 179.936 177.584 0.382 0.000 1.175 350 A CA 1.459 53.653 52.037 0.262 0.000 0.628 350 A CB -1.290 17.836 19.000 0.209 0.000 0.814 350 A HN 0.491 nan 8.150 nan 0.000 0.444 351 F N 1.078 121.143 119.950 0.192 0.000 2.134 351 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 351 F C 1.984 177.709 175.800 -0.125 0.000 1.097 351 F CA 1.929 59.919 58.000 -0.016 0.000 1.264 351 F CB -0.073 38.892 39.000 -0.060 0.000 1.001 351 F HN 0.359 nan 8.300 nan 0.000 0.479 352 I N -2.510 118.119 120.570 0.098 0.000 3.030 352 I HA -0.017 4.153 4.170 -0.000 0.000 0.270 352 I C 1.507 177.644 176.117 0.034 0.000 1.211 352 I CA 0.936 62.257 61.300 0.036 0.000 1.479 352 I CB -0.375 37.684 38.000 0.099 0.000 1.105 352 I HN 0.075 nan 8.210 nan 0.000 0.447 353 L N 1.255 122.533 121.223 0.092 0.000 2.354 353 L HA 0.061 4.401 4.340 -0.000 0.000 0.212 353 L C 2.368 179.259 176.870 0.034 0.000 1.091 353 L CA 1.335 56.229 54.840 0.090 0.000 0.828 353 L CB -0.316 41.828 42.059 0.142 0.000 0.973 353 L HN 0.433 nan 8.230 nan 0.000 0.461 354 T N -3.604 110.988 114.554 0.062 0.000 3.069 354 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 354 T C 0.908 175.629 174.700 0.034 0.000 1.053 354 T CA -0.379 61.782 62.100 0.101 0.000 0.964 354 T CB 0.171 69.198 68.868 0.266 0.000 1.005 354 T HN 0.055 nan 8.240 nan 0.000 0.532 355 R N 1.658 122.023 120.500 -0.226 0.000 2.500 355 R HA 0.325 4.665 4.340 -0.000 0.000 0.277 355 R C 1.620 177.773 176.300 -0.245 0.000 1.026 355 R CA -0.220 55.621 56.100 -0.431 0.000 1.058 355 R CB 0.960 30.734 30.300 -0.877 0.000 1.078 355 R HN 0.521 nan 8.270 nan 0.000 0.509 356 E N 0.513 120.593 120.200 -0.201 0.000 2.204 356 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 356 E C -0.228 176.308 176.600 -0.106 0.000 0.989 356 E CA 0.767 57.089 56.400 -0.130 0.000 0.824 356 E CB 0.228 29.870 29.700 -0.097 0.000 0.756 356 E HN 0.229 nan 8.360 nan 0.000 0.477 357 S N 0.180 115.803 115.700 -0.127 0.000 2.578 357 S HA 0.581 5.051 4.470 -0.000 0.000 0.283 357 S C 0.074 174.656 174.600 -0.029 0.000 1.195 357 S CA -0.105 58.054 58.200 -0.069 0.000 1.050 357 S CB 1.516 64.674 63.200 -0.070 0.000 1.012 357 S HN 0.646 nan 8.310 nan 0.000 0.511 358 G N 1.062 109.885 108.800 0.039 0.000 2.705 358 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 358 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 358 G C -1.387 173.619 174.900 0.178 0.000 1.285 358 G CA -0.850 44.318 45.100 0.113 0.000 0.800 358 G HN 0.662 nan 8.290 nan 0.000 0.611 359 Y N 4.091 124.435 120.300 0.073 0.000 2.504 359 Y HA 0.579 5.129 4.550 -0.000 0.000 0.339 359 Y C -1.875 174.103 175.900 0.130 0.000 0.974 359 Y CA -3.035 55.102 58.100 0.061 0.000 1.232 359 Y CB 1.244 39.721 38.460 0.029 0.000 1.108 359 Y HN 0.538 nan 8.280 nan 0.000 0.509 360 P HA 0.140 nan 4.420 nan 0.000 0.278 360 P C -1.203 176.205 177.300 0.180 0.000 1.238 360 P CA -0.275 62.957 63.100 0.221 0.000 0.794 360 P CB 1.686 33.507 31.700 0.203 0.000 0.955 361 Q N 1.869 121.827 119.800 0.265 0.000 2.330 361 Q HA 0.426 4.766 4.340 -0.000 0.000 0.269 361 Q C -1.378 174.864 176.000 0.404 0.000 1.022 361 Q CA -0.864 55.123 55.803 0.307 0.000 0.796 361 Q CB 1.721 30.705 28.738 0.411 0.000 1.271 361 Q HN 0.198 nan 8.270 nan 0.000 0.450 362 V N 4.277 124.404 119.914 0.355 0.000 2.567 362 V HA 0.342 4.462 4.120 -0.000 0.000 0.289 362 V C -0.361 175.959 176.094 0.377 0.000 1.049 362 V CA -0.499 62.029 62.300 0.379 0.000 0.969 362 V CB 1.016 32.907 31.823 0.113 0.000 0.995 362 V HN 0.687 nan 8.190 nan 0.000 0.471 363 F N 4.051 124.135 119.950 0.222 0.000 2.410 363 F HA 0.346 4.873 4.527 -0.000 0.000 0.349 363 F C 0.674 176.487 175.800 0.022 0.000 1.117 363 F CA -1.370 56.695 58.000 0.109 0.000 1.104 363 F CB 0.885 39.974 39.000 0.150 0.000 1.122 363 F HN 0.596 nan 8.300 nan 0.000 0.483 364 Y N 4.878 124.820 120.300 -0.597 0.000 2.151 364 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 364 Y C 2.115 177.513 175.900 -0.837 0.000 1.166 364 Y CA 2.333 60.030 58.100 -0.672 0.000 1.163 364 Y CB -0.573 37.524 38.460 -0.605 0.000 0.974 364 Y HN 0.698 nan 8.280 nan 0.000 0.511 365 G N -0.604 107.358 108.800 -1.398 0.000 2.448 365 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 365 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 365 G C 1.244 175.961 174.900 -0.305 0.000 1.127 365 G CA 1.155 45.781 45.100 -0.791 0.000 0.766 365 G HN 0.419 nan 8.290 nan 0.000 0.552 366 D N -0.030 120.241 120.400 -0.214 0.000 2.213 366 D HA 0.022 4.662 4.640 -0.000 0.000 0.205 366 D C 2.568 178.745 176.300 -0.204 0.000 0.961 366 D CA 0.358 54.362 54.000 0.007 0.000 0.853 366 D CB -0.073 40.883 40.800 0.261 0.000 0.967 366 D HN 0.142 nan 8.370 nan 0.000 0.496 367 M N -0.347 118.984 119.600 -0.447 0.000 2.123 367 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 367 M C 1.240 177.149 176.300 -0.652 0.000 1.069 367 M CA 1.345 56.227 55.300 -0.696 0.000 1.133 367 M CB -0.538 31.346 32.600 -1.194 0.000 1.356 367 M HN 0.092 nan 8.290 nan 0.000 0.415 368 Y N -0.373 119.713 120.300 -0.358 0.000 2.481 368 Y HA 0.508 5.058 4.550 -0.000 0.000 0.247 368 Y C 1.267 177.065 175.900 -0.170 0.000 1.151 368 Y CA -0.189 57.726 58.100 -0.308 0.000 1.238 368 Y CB -0.417 37.720 38.460 -0.537 0.000 1.179 368 Y HN 0.372 nan 8.280 nan 0.000 0.524 369 G N 0.807 109.593 108.800 -0.024 0.000 2.730 369 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 369 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 369 G C -0.269 174.680 174.900 0.082 0.000 1.343 369 G CA -0.530 44.592 45.100 0.037 0.000 0.826 369 G HN 0.390 nan 8.290 nan 0.000 0.582 370 T N -1.261 113.365 114.554 0.119 0.000 2.859 370 T HA 0.719 5.069 4.350 -0.000 0.000 0.281 370 T C 0.395 175.177 174.700 0.136 0.000 1.005 370 T CA -0.799 61.415 62.100 0.190 0.000 1.025 370 T CB 2.048 71.082 68.868 0.277 0.000 0.977 370 T HN 0.512 nan 8.240 nan 0.000 0.458 371 K N 2.100 122.601 120.400 0.168 0.000 2.827 371 K HA 0.297 4.617 4.320 -0.000 0.000 0.222 371 K C 1.034 177.507 176.600 -0.212 0.000 1.114 371 K CA -0.329 55.986 56.287 0.046 0.000 1.206 371 K CB 0.105 32.666 32.500 0.102 0.000 1.035 371 K HN 0.862 nan 8.250 nan 0.000 0.464 372 G N 0.451 108.969 108.800 -0.471 0.000 2.588 372 G HA2 0.102 4.062 3.960 -0.000 0.000 0.278 372 G HA3 0.102 4.062 3.960 -0.000 0.000 0.278 372 G C 0.714 175.324 174.900 -0.483 0.000 1.307 372 G CA -0.136 44.280 45.100 -1.140 0.000 1.016 372 G HN 0.223 nan 8.290 nan 0.000 0.503 373 T N -2.918 111.407 114.554 -0.382 0.000 3.085 373 T HA 0.298 4.648 4.350 -0.000 0.000 0.264 373 T C 1.179 175.821 174.700 -0.097 0.000 1.019 373 T CA 0.493 62.490 62.100 -0.171 0.000 0.910 373 T CB -0.266 68.533 68.868 -0.115 0.000 1.059 373 T HN 0.747 nan 8.240 nan 0.000 0.542 374 S N 2.296 117.941 115.700 -0.091 0.000 2.600 374 S HA 0.343 4.813 4.470 -0.000 0.000 0.265 374 S C -1.221 173.367 174.600 -0.020 0.000 1.325 374 S CA -0.951 57.227 58.200 -0.035 0.000 1.002 374 S CB 0.856 64.049 63.200 -0.012 0.000 0.921 374 S HN 0.175 nan 8.310 nan 0.000 0.554 375 P HA 0.171 nan 4.420 nan 0.000 0.249 375 P C -0.318 176.993 177.300 0.018 0.000 1.229 375 P CA 0.506 63.610 63.100 0.005 0.000 0.788 375 P CB -0.034 31.672 31.700 0.009 0.000 1.072 376 K N 0.529 120.943 120.400 0.023 0.000 3.206 376 K HA 0.209 4.529 4.320 -0.000 0.000 0.180 376 K C -0.022 176.608 176.600 0.050 0.000 1.088 376 K CA -0.366 55.945 56.287 0.041 0.000 0.872 376 K CB 0.970 33.499 32.500 0.049 0.000 0.976 376 K HN -0.022 nan 8.250 nan 0.000 0.564 377 E N 1.134 121.358 120.200 0.041 0.000 2.392 377 E HA 0.157 4.507 4.350 -0.000 0.000 0.259 377 E C 0.498 177.146 176.600 0.080 0.000 1.108 377 E CA -0.287 56.147 56.400 0.057 0.000 0.916 377 E CB 0.980 30.698 29.700 0.029 0.000 0.989 377 E HN 0.171 nan 8.360 nan 0.000 0.432 378 I N 4.232 124.869 120.570 0.111 0.000 2.471 378 I HA 0.092 4.262 4.170 -0.000 0.000 0.286 378 I C -1.704 174.465 176.117 0.086 0.000 1.079 378 I CA -2.067 59.303 61.300 0.117 0.000 1.398 378 I CB -0.138 37.963 38.000 0.169 0.000 1.403 378 I HN 0.125 nan 8.210 nan 0.000 0.530 379 P HA 0.091 nan 4.420 nan 0.000 0.278 379 P C -0.304 177.016 177.300 0.034 0.000 1.266 379 P CA -0.551 62.579 63.100 0.051 0.000 0.807 379 P CB 0.839 32.570 31.700 0.051 0.000 1.094 380 S N 0.368 116.081 115.700 0.022 0.000 2.465 380 S HA 0.155 4.625 4.470 -0.000 0.000 0.280 380 S C 0.733 175.322 174.600 -0.018 0.000 1.232 380 S CA -0.458 57.740 58.200 -0.004 0.000 1.066 380 S CB -1.214 62.001 63.200 0.024 0.000 0.929 380 S HN 0.301 nan 8.310 nan 0.000 0.494 381 L N 5.744 126.933 121.223 -0.056 0.000 2.910 381 L HA 0.238 4.578 4.340 -0.000 0.000 0.252 381 L C 2.011 178.816 176.870 -0.108 0.000 1.195 381 L CA -0.294 54.514 54.840 -0.054 0.000 1.003 381 L CB -0.079 41.966 42.059 -0.023 0.000 1.328 381 L HN 0.714 nan 8.230 nan 0.000 0.540 382 K N -0.907 119.413 120.400 -0.132 0.000 2.152 382 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 382 K C 0.761 177.316 176.600 -0.074 0.000 1.048 382 K CA 1.667 57.868 56.287 -0.143 0.000 0.933 382 K CB -0.134 32.301 32.500 -0.107 0.000 0.721 382 K HN 0.158 nan 8.250 nan 0.000 0.447 383 D N 1.029 121.405 120.400 -0.040 0.000 2.264 383 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 383 D C 1.092 177.375 176.300 -0.028 0.000 0.966 383 D CA 1.050 55.038 54.000 -0.021 0.000 0.864 383 D CB -0.161 40.635 40.800 -0.006 0.000 0.933 383 D HN 0.445 nan 8.370 nan 0.000 0.499 384 N N -0.195 118.480 118.700 -0.042 0.000 2.368 384 N HA 0.004 4.744 4.740 -0.000 0.000 0.176 384 N C 1.524 176.992 175.510 -0.070 0.000 1.021 384 N CA 0.227 53.254 53.050 -0.039 0.000 0.888 384 N CB 0.285 38.761 38.487 -0.019 0.000 0.995 384 N HN 0.062 nan 8.380 nan 0.000 0.437 385 I N 1.331 121.823 120.570 -0.131 0.000 2.400 385 I HA -0.035 4.135 4.170 -0.000 0.000 0.248 385 I C 1.792 177.823 176.117 -0.144 0.000 1.109 385 I CA 0.937 62.109 61.300 -0.212 0.000 1.425 385 I CB -1.049 36.699 38.000 -0.419 0.000 1.094 385 I HN 0.200 nan 8.210 nan 0.000 0.425 386 E N 0.857 120.996 120.200 -0.101 0.000 2.118 386 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 386 E C -0.566 176.019 176.600 -0.026 0.000 0.992 386 E CA 1.296 57.665 56.400 -0.052 0.000 0.804 386 E CB -0.966 28.731 29.700 -0.005 0.000 0.741 386 E HN 0.410 nan 8.360 nan 0.000 0.458 387 P HA -0.113 nan 4.420 nan 0.000 0.219 387 P C 1.163 178.447 177.300 -0.027 0.000 1.150 387 P CA 0.907 63.996 63.100 -0.018 0.000 0.814 387 P CB 0.093 31.775 31.700 -0.030 0.000 0.787 388 I N -1.467 119.083 120.570 -0.033 0.000 2.500 388 I HA -0.103 4.067 4.170 -0.000 0.000 0.252 388 I C 2.203 178.323 176.117 0.005 0.000 1.142 388 I CA 1.161 62.453 61.300 -0.014 0.000 1.451 388 I CB -1.416 36.590 38.000 0.010 0.000 1.093 388 I HN 0.004 nan 8.210 nan 0.000 0.430 389 L N 0.591 121.807 121.223 -0.013 0.000 2.093 389 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 389 L C 2.621 179.503 176.870 0.020 0.000 1.085 389 L CA 1.225 56.063 54.840 -0.003 0.000 0.755 389 L CB -0.446 41.593 42.059 -0.035 0.000 0.904 389 L HN 0.226 nan 8.230 nan 0.000 0.435 390 K N 0.324 120.744 120.400 0.032 0.000 2.097 390 K HA -0.170 4.149 4.320 -0.000 0.000 0.205 390 K C 2.141 178.825 176.600 0.141 0.000 1.050 390 K CA 1.211 57.543 56.287 0.075 0.000 0.938 390 K CB -0.045 32.509 32.500 0.091 0.000 0.718 390 K HN 0.255 nan 8.250 nan 0.000 0.442 391 A N 1.668 124.554 122.820 0.111 0.000 1.908 391 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 391 A C 2.158 179.806 177.584 0.107 0.000 1.181 391 A CA 1.711 53.835 52.037 0.144 0.000 0.627 391 A CB -0.602 18.392 19.000 -0.010 0.000 0.818 391 A HN 0.416 nan 8.150 nan 0.000 0.445 392 R N -0.158 120.362 120.500 0.033 0.000 2.073 392 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 392 R C 2.321 178.582 176.300 -0.065 0.000 1.134 392 R CA 1.920 57.996 56.100 -0.041 0.000 0.952 392 R CB -0.297 29.994 30.300 -0.015 0.000 0.850 392 R HN 0.535 nan 8.270 nan 0.000 0.433 393 K N 0.195 120.607 120.400 0.019 0.000 2.057 393 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 393 K C 1.300 177.985 176.600 0.141 0.000 1.049 393 K CA 2.021 58.348 56.287 0.066 0.000 0.931 393 K CB 0.118 32.641 32.500 0.038 0.000 0.714 393 K HN 0.325 nan 8.250 nan 0.000 0.440 394 E N -1.870 118.350 120.200 0.033 0.000 2.413 394 E HA -0.005 4.344 4.350 -0.000 0.000 0.203 394 E C 0.819 177.222 176.600 -0.328 0.000 0.957 394 E CA 0.283 56.562 56.400 -0.201 0.000 0.950 394 E CB 0.450 29.832 29.700 -0.529 0.000 0.957 394 E HN 0.337 nan 8.360 nan 0.000 0.497 395 Y N -0.556 119.816 120.300 0.120 0.000 2.452 395 Y HA 0.376 4.926 4.550 -0.000 0.000 0.262 395 Y C 0.950 176.845 175.900 -0.010 0.000 1.089 395 Y CA -0.318 57.810 58.100 0.048 0.000 1.262 395 Y CB 0.747 39.134 38.460 -0.121 0.000 1.236 395 Y HN -0.124 nan 8.280 nan 0.000 0.512 396 A N 0.896 123.654 122.820 -0.103 0.000 3.026 396 A HA 0.421 4.741 4.320 -0.000 0.000 0.272 396 A C -1.305 175.908 177.584 -0.618 0.000 1.782 396 A CA 0.351 52.224 52.037 -0.273 0.000 1.451 396 A CB -1.680 17.168 19.000 -0.253 0.000 1.081 396 A HN 0.351 nan 8.150 nan 0.000 0.611 397 Y N -0.287 120.033 120.300 0.033 0.000 2.588 397 Y HA 0.624 5.174 4.550 -0.000 0.000 0.343 397 Y C 0.689 176.611 175.900 0.037 0.000 1.065 397 Y CA -0.163 57.948 58.100 0.018 0.000 1.038 397 Y CB 1.787 40.243 38.460 -0.006 0.000 1.297 397 Y HN 1.115 nan 8.280 nan 0.000 0.467 398 G N 1.299 110.216 108.800 0.195 0.000 2.756 398 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.678 398 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.678 398 G C -3.192 171.765 174.900 0.095 0.000 1.349 398 G CA -1.559 43.622 45.100 0.135 0.000 0.847 398 G HN 0.434 nan 8.290 nan 0.000 0.548 399 P HA 0.178 nan 4.420 nan 0.000 0.261 399 P C -0.081 177.227 177.300 0.013 0.000 1.173 399 P CA 0.538 63.658 63.100 0.032 0.000 0.760 399 P CB 0.589 32.343 31.700 0.089 0.000 0.783 400 Q N 2.769 122.500 119.800 -0.116 0.000 2.235 400 Q HA 0.280 4.620 4.340 -0.000 0.000 0.256 400 Q C -0.863 174.941 176.000 -0.328 0.000 0.951 400 Q CA -0.583 55.176 55.803 -0.074 0.000 0.890 400 Q CB 0.849 29.559 28.738 -0.046 0.000 1.279 400 Q HN 0.544 nan 8.270 nan 0.000 0.444 401 H N 2.741 121.880 119.070 0.115 0.000 2.744 401 H HA 0.275 4.831 4.556 -0.000 0.000 0.339 401 H C -1.301 174.018 175.328 -0.016 0.000 1.004 401 H CA -0.794 55.273 56.048 0.032 0.000 1.257 401 H CB 1.630 31.487 29.762 0.158 0.000 1.552 401 H HN 0.627 nan 8.280 nan 0.000 0.522 402 D N 2.324 122.643 120.400 -0.136 0.000 2.177 402 D HA 0.186 4.826 4.640 -0.000 0.000 0.247 402 D C -0.357 175.717 176.300 -0.378 0.000 1.063 402 D CA -0.105 53.858 54.000 -0.061 0.000 0.867 402 D CB 1.287 42.081 40.800 -0.010 0.000 1.168 402 D HN 0.478 nan 8.370 nan 0.000 0.445 403 Y N 1.218 121.685 120.300 0.278 0.000 2.535 403 Y HA 0.362 4.912 4.550 -0.000 0.000 0.351 403 Y C 0.094 176.157 175.900 0.271 0.000 1.050 403 Y CA -0.393 57.856 58.100 0.249 0.000 1.168 403 Y CB 0.336 38.935 38.460 0.231 0.000 1.116 403 Y HN 0.213 nan 8.280 nan 0.000 0.654 404 I N 2.535 123.291 120.570 0.311 0.000 2.517 404 I HA 0.162 4.332 4.170 -0.000 0.000 0.289 404 I C -0.043 176.216 176.117 0.235 0.000 1.149 404 I CA 0.082 61.563 61.300 0.302 0.000 1.189 404 I CB 0.193 38.353 38.000 0.267 0.000 1.641 404 I HN 0.414 nan 8.210 nan 0.000 0.560 405 D N 1.084 121.644 120.400 0.266 0.000 2.563 405 D HA 0.062 4.702 4.640 -0.000 0.000 0.237 405 D C 0.126 176.569 176.300 0.238 0.000 1.282 405 D CA -0.080 54.051 54.000 0.219 0.000 0.816 405 D CB 0.323 41.257 40.800 0.223 0.000 1.066 405 D HN 0.271 nan 8.370 nan 0.000 0.501 406 H N 0.975 120.135 119.070 0.150 0.000 2.771 406 H HA 0.245 4.801 4.556 -0.000 0.000 0.361 406 H C -2.198 173.202 175.328 0.120 0.000 1.108 406 H CA -1.388 54.736 56.048 0.127 0.000 1.201 406 H CB 3.070 32.915 29.762 0.140 0.000 1.681 406 H HN -0.304 nan 8.280 nan 0.000 0.534 407 P HA -0.091 nan 4.420 nan 0.000 0.225 407 P C 0.039 177.478 177.300 0.231 0.000 1.148 407 P CA 1.166 64.289 63.100 0.039 0.000 0.779 407 P CB 0.898 32.545 31.700 -0.088 0.000 0.780 408 D N -0.895 119.815 120.400 0.516 0.000 3.084 408 D HA 0.055 4.695 4.640 -0.000 0.000 0.294 408 D C 0.437 176.948 176.300 0.351 0.000 1.165 408 D CA 0.398 54.649 54.000 0.419 0.000 1.008 408 D CB 0.043 41.065 40.800 0.371 0.000 1.266 408 D HN -0.067 nan 8.370 nan 0.000 0.449 409 V N 4.088 124.146 119.914 0.241 0.000 2.368 409 V HA 0.344 4.464 4.120 -0.000 0.000 0.266 409 V C 0.433 176.636 176.094 0.182 0.000 1.045 409 V CA -0.477 61.872 62.300 0.080 0.000 0.899 409 V CB 0.390 32.107 31.823 -0.176 0.000 1.006 409 V HN 0.095 nan 8.190 nan 0.000 0.470 410 I N 2.024 122.745 120.570 0.253 0.000 2.892 410 I HA 1.111 5.281 4.170 -0.000 0.000 0.306 410 I C 0.192 176.480 176.117 0.284 0.000 1.078 410 I CA -0.625 60.875 61.300 0.334 0.000 1.032 410 I CB 2.563 40.827 38.000 0.440 0.000 1.229 410 I HN 0.604 nan 8.210 nan 0.000 0.435 411 G N 1.994 111.005 108.800 0.353 0.000 2.645 411 G HA2 0.704 4.664 3.960 -0.000 0.000 0.292 411 G HA3 0.704 4.664 3.960 -0.000 0.000 0.292 411 G C -2.506 172.666 174.900 0.453 0.000 1.415 411 G CA -0.732 44.422 45.100 0.092 0.000 0.785 411 G HN 1.120 nan 8.290 nan 0.000 0.483 412 W N -0.847 120.570 121.300 0.195 0.000 3.153 412 W HA 0.717 5.377 4.660 -0.000 0.000 0.316 412 W C -0.419 176.174 176.519 0.124 0.000 1.255 412 W CA -0.727 56.746 57.345 0.214 0.000 1.192 412 W CB 0.823 30.328 29.460 0.076 0.000 1.400 412 W HN 0.888 nan 8.180 nan 0.000 0.568 413 T N -0.264 114.501 114.554 0.352 0.000 2.916 413 T HA 0.819 5.168 4.350 -0.000 0.000 0.292 413 T C -0.858 174.015 174.700 0.289 0.000 1.064 413 T CA -1.145 61.077 62.100 0.202 0.000 1.011 413 T CB 2.118 71.071 68.868 0.142 0.000 1.152 413 T HN 0.622 nan 8.240 nan 0.000 0.510 414 R N 1.173 121.807 120.500 0.223 0.000 2.532 414 R HA 0.353 4.693 4.340 -0.000 0.000 0.297 414 R C 0.383 176.812 176.300 0.215 0.000 0.984 414 R CA -0.558 55.663 56.100 0.200 0.000 0.884 414 R CB 1.665 32.046 30.300 0.135 0.000 1.182 414 R HN 0.895 nan 8.270 nan 0.000 0.442 415 E N 1.152 121.482 120.200 0.218 0.000 2.347 415 E HA 0.064 4.414 4.350 -0.000 0.000 0.196 415 E C 0.567 177.277 176.600 0.183 0.000 1.008 415 E CA 0.690 57.202 56.400 0.187 0.000 0.852 415 E CB 0.189 29.990 29.700 0.168 0.000 0.783 415 E HN 0.909 nan 8.360 nan 0.000 0.505 416 G N 2.245 111.148 108.800 0.172 0.000 2.730 416 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.686 416 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.686 416 G C -0.917 174.060 174.900 0.129 0.000 1.343 416 G CA -0.250 44.947 45.100 0.162 0.000 0.826 416 G HN 0.284 nan 8.290 nan 0.000 0.582 417 D N -2.552 117.904 120.400 0.092 0.000 2.838 417 D HA 0.596 5.236 4.640 -0.000 0.000 0.334 417 D C 0.259 176.553 176.300 -0.010 0.000 1.315 417 D CA 0.043 54.073 54.000 0.050 0.000 0.917 417 D CB 0.186 41.021 40.800 0.059 0.000 1.435 417 D HN 0.611 nan 8.370 nan 0.000 0.517 418 S N -0.602 115.085 115.700 -0.021 0.000 3.227 418 S HA 0.261 4.731 4.470 -0.000 0.000 0.249 418 S C 0.211 174.751 174.600 -0.100 0.000 1.322 418 S CA -0.192 57.978 58.200 -0.050 0.000 1.253 418 S CB -0.762 62.421 63.200 -0.028 0.000 1.076 418 S HN 0.404 nan 8.310 nan 0.000 0.471 419 S N 0.676 116.271 115.700 -0.175 0.000 2.619 419 S HA 0.459 4.929 4.470 -0.000 0.000 0.238 419 S C 0.504 174.856 174.600 -0.414 0.000 1.068 419 S CA -0.193 57.833 58.200 -0.289 0.000 0.926 419 S CB 0.740 63.720 63.200 -0.366 0.000 0.864 419 S HN 0.563 nan 8.310 nan 0.000 0.493 420 A N 1.408 123.991 122.820 -0.395 0.000 2.408 420 A HA 0.816 5.136 4.320 -0.000 0.000 0.295 420 A C -0.356 177.109 177.584 -0.198 0.000 1.040 420 A CA -0.555 51.263 52.037 -0.365 0.000 0.707 420 A CB 0.942 19.626 19.000 -0.527 0.000 1.235 420 A HN 0.399 nan 8.150 nan 0.000 0.418 421 A N 2.445 125.168 122.820 -0.161 0.000 2.546 421 A HA 0.473 4.793 4.320 -0.000 0.000 0.243 421 A C 0.909 178.445 177.584 -0.081 0.000 1.063 421 A CA 0.750 52.730 52.037 -0.094 0.000 0.757 421 A CB -0.480 18.474 19.000 -0.076 0.000 0.991 421 A HN 1.215 nan 8.150 nan 0.000 0.503 422 K N 0.338 120.734 120.400 -0.007 0.000 3.160 422 K HA -0.171 4.149 4.320 -0.000 0.000 0.280 422 K C 0.487 177.138 176.600 0.085 0.000 1.154 422 K CA 0.835 57.157 56.287 0.058 0.000 0.822 422 K CB -2.175 30.387 32.500 0.104 0.000 1.239 422 K HN 1.110 nan 8.250 nan 0.000 0.489 423 S N -0.000 115.721 115.700 0.035 0.000 2.593 423 S HA 0.615 5.085 4.470 -0.000 0.000 0.269 423 S C 0.607 175.279 174.600 0.121 0.000 1.334 423 S CA 0.061 58.327 58.200 0.109 0.000 1.015 423 S CB 1.934 65.205 63.200 0.119 0.000 0.912 423 S HN 0.808 nan 8.310 nan 0.000 0.541 424 G N 0.001 108.870 108.800 0.115 0.000 2.402 424 G HA2 0.458 4.418 3.960 -0.000 0.000 0.666 424 G HA3 0.458 4.418 3.960 -0.000 0.000 0.666 424 G C -1.477 173.248 174.900 -0.291 0.000 1.402 424 G CA -0.501 44.602 45.100 0.005 0.000 0.920 424 G HN 1.891 nan 8.290 nan 0.000 0.651 425 L N -1.967 119.152 121.223 -0.174 0.000 2.775 425 L HA 1.053 5.393 4.340 -0.000 0.000 0.263 425 L C -0.269 176.600 176.870 -0.001 0.000 1.017 425 L CA -0.761 53.916 54.840 -0.273 0.000 0.891 425 L CB 1.418 43.348 42.059 -0.216 0.000 1.482 425 L HN 2.363 nan 8.230 nan 0.000 0.410 426 A N 0.733 123.480 122.820 -0.123 0.000 2.457 426 A HA 0.972 5.291 4.320 -0.000 0.000 0.283 426 A C -0.480 176.830 177.584 -0.455 0.000 1.166 426 A CA 0.121 51.895 52.037 -0.437 0.000 0.740 426 A CB 0.879 19.130 19.000 -1.248 0.000 1.181 426 A HN 1.525 nan 8.150 nan 0.000 0.446 427 A N 2.633 125.062 122.820 -0.651 0.000 2.324 427 A HA 0.866 5.186 4.320 -0.000 0.000 0.330 427 A C -0.719 176.380 177.584 -0.809 0.000 1.165 427 A CA -0.406 51.158 52.037 -0.788 0.000 0.813 427 A CB 0.709 19.004 19.000 -1.174 0.000 1.197 427 A HN 0.879 nan 8.150 nan 0.000 0.484 428 L N 2.687 123.627 121.223 -0.472 0.000 2.431 428 L HA 0.667 5.007 4.340 -0.000 0.000 0.266 428 L C -0.822 175.967 176.870 -0.134 0.000 0.978 428 L CA -0.528 54.159 54.840 -0.256 0.000 0.822 428 L CB 2.014 44.044 42.059 -0.048 0.000 1.310 428 L HN 0.837 nan 8.230 nan 0.000 0.409 429 I N -0.609 119.954 120.570 -0.012 0.000 2.865 429 I HA 0.818 4.988 4.170 -0.000 0.000 0.302 429 I C -0.918 175.306 176.117 0.178 0.000 1.140 429 I CA -0.466 60.884 61.300 0.084 0.000 1.021 429 I CB 2.626 40.701 38.000 0.125 0.000 1.233 429 I HN 0.492 nan 8.210 nan 0.000 0.427 430 T N 1.580 116.265 114.554 0.219 0.000 2.993 430 T HA 0.283 4.633 4.350 -0.000 0.000 0.312 430 T C -0.333 174.636 174.700 0.449 0.000 1.115 430 T CA -0.408 61.866 62.100 0.290 0.000 1.027 430 T CB 1.419 70.409 68.868 0.204 0.000 1.116 430 T HN 0.880 nan 8.240 nan 0.000 0.464 431 D N 2.467 123.168 120.400 0.502 0.000 2.328 431 D HA 0.292 4.932 4.640 -0.000 0.000 0.221 431 D C 0.878 177.432 176.300 0.423 0.000 1.072 431 D CA -0.030 54.373 54.000 0.672 0.000 0.850 431 D CB 0.235 41.343 40.800 0.512 0.000 0.922 431 D HN 0.673 nan 8.370 nan 0.000 0.516 432 G N -0.365 108.604 108.800 0.281 0.000 3.039 432 G HA2 0.447 4.407 3.960 -0.000 0.000 0.202 432 G HA3 0.447 4.407 3.960 -0.000 0.000 0.202 432 G C -2.886 172.082 174.900 0.114 0.000 1.151 432 G CA -1.008 44.177 45.100 0.142 0.000 0.836 432 G HN -0.084 nan 8.290 nan 0.000 0.598 433 P HA 0.258 nan 4.420 nan 0.000 0.267 433 P C 0.525 177.872 177.300 0.079 0.000 1.200 433 P CA 0.500 63.642 63.100 0.070 0.000 0.772 433 P CB 0.831 32.571 31.700 0.066 0.000 0.855 434 G N 0.686 109.526 108.800 0.067 0.000 2.508 434 G HA2 0.603 4.563 3.960 -0.000 0.000 0.278 434 G HA3 0.603 4.563 3.960 -0.000 0.000 0.278 434 G C 0.066 174.991 174.900 0.042 0.000 1.389 434 G CA -0.074 45.066 45.100 0.067 0.000 1.050 434 G HN 0.752 nan 8.290 nan 0.000 0.522 435 G N -1.783 107.050 108.800 0.056 0.000 2.455 435 G HA2 0.563 4.523 3.960 -0.000 0.000 0.223 435 G HA3 0.563 4.523 3.960 -0.000 0.000 0.223 435 G C -0.590 174.375 174.900 0.108 0.000 1.226 435 G CA 0.665 45.794 45.100 0.050 0.000 0.948 435 G HN 1.824 nan 8.290 nan 0.000 0.478 436 S N -0.981 114.775 115.700 0.093 0.000 2.627 436 S HA 0.870 5.339 4.470 -0.000 0.000 0.283 436 S C -1.220 173.405 174.600 0.041 0.000 1.127 436 S CA -0.714 57.560 58.200 0.124 0.000 0.863 436 S CB 2.673 66.019 63.200 0.244 0.000 1.121 436 S HN 0.782 nan 8.310 nan 0.000 0.479 437 K N 0.564 120.976 120.400 0.019 0.000 2.501 437 K HA 0.441 4.761 4.320 -0.000 0.000 0.252 437 K C -1.151 175.447 176.600 -0.004 0.000 0.934 437 K CA -0.691 55.604 56.287 0.013 0.000 0.797 437 K CB 2.443 34.952 32.500 0.014 0.000 1.270 437 K HN 0.553 nan 8.250 nan 0.000 0.431 438 R N 2.656 123.161 120.500 0.008 0.000 2.254 438 R HA 0.448 4.788 4.340 -0.000 0.000 0.318 438 R C -0.249 176.118 176.300 0.112 0.000 1.031 438 R CA -0.040 56.105 56.100 0.075 0.000 0.905 438 R CB 0.756 31.098 30.300 0.070 0.000 1.050 438 R HN 0.439 nan 8.270 nan 0.000 0.456 439 M N 2.324 121.984 119.600 0.100 0.000 2.501 439 M HA 0.201 4.681 4.480 -0.000 0.000 0.293 439 M C -1.242 174.779 176.300 -0.465 0.000 1.192 439 M CA -1.078 53.968 55.300 -0.423 0.000 0.886 439 M CB 2.373 34.642 32.600 -0.551 0.000 1.710 439 M HN 0.453 nan 8.290 nan 0.000 0.457 440 Y N 1.382 121.007 120.300 -1.126 0.000 2.539 440 Y HA 0.432 4.982 4.550 -0.000 0.000 0.352 440 Y C 0.561 176.076 175.900 -0.642 0.000 1.004 440 Y CA -0.026 57.271 58.100 -1.338 0.000 1.278 440 Y CB 0.877 38.412 38.460 -1.542 0.000 1.136 440 Y HN 0.792 nan 8.280 nan 0.000 0.528 441 A N 4.333 126.646 122.820 -0.846 0.000 2.132 441 A HA 0.474 4.794 4.320 -0.000 0.000 0.213 441 A C 1.065 178.228 177.584 -0.701 0.000 1.154 441 A CA 0.711 52.388 52.037 -0.600 0.000 0.753 441 A CB -0.706 17.877 19.000 -0.695 0.000 0.826 441 A HN 1.504 nan 8.150 nan 0.000 0.469 442 G N -1.606 106.357 108.800 -1.396 0.000 3.014 442 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.683 442 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.683 442 G C 0.191 174.802 174.900 -0.481 0.000 1.271 442 G CA -0.318 44.166 45.100 -1.025 0.000 0.843 442 G HN 0.276 nan 8.290 nan 0.000 0.612 443 L N 1.104 122.231 121.223 -0.159 0.000 2.127 443 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 443 L C 3.010 179.881 176.870 0.002 0.000 1.089 443 L CA 2.158 57.007 54.840 0.016 0.000 0.757 443 L CB -0.216 41.928 42.059 0.141 0.000 0.899 443 L HN 0.852 nan 8.230 nan 0.000 0.434 444 K N -0.925 119.482 120.400 0.011 0.000 2.442 444 K HA -0.101 4.219 4.320 -0.000 0.000 0.198 444 K C 0.822 177.454 176.600 0.053 0.000 1.042 444 K CA 1.151 57.463 56.287 0.043 0.000 0.958 444 K CB -0.157 32.381 32.500 0.064 0.000 0.766 444 K HN 0.322 nan 8.250 nan 0.000 0.474 445 N N 0.895 119.603 118.700 0.015 0.000 2.187 445 N HA 0.127 4.867 4.740 -0.000 0.000 0.212 445 N C -0.416 175.068 175.510 -0.044 0.000 1.152 445 N CA 0.099 53.184 53.050 0.059 0.000 0.872 445 N CB 0.996 39.565 38.487 0.137 0.000 1.025 445 N HN 0.259 nan 8.380 nan 0.000 0.514 446 A N 0.270 123.058 122.820 -0.054 0.000 2.567 446 A HA 0.401 4.721 4.320 -0.000 0.000 0.240 446 A C 1.497 179.061 177.584 -0.034 0.000 1.053 446 A CA 1.023 53.024 52.037 -0.060 0.000 0.755 446 A CB -0.364 18.625 19.000 -0.017 0.000 0.978 446 A HN 0.473 nan 8.150 nan 0.000 0.507 447 G N 1.652 110.417 108.800 -0.058 0.000 2.179 447 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 447 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 447 G C 0.096 174.993 174.900 -0.004 0.000 0.977 447 G CA 0.670 45.753 45.100 -0.028 0.000 0.641 447 G HN 0.910 nan 8.290 nan 0.000 0.533 448 E N 0.413 120.612 120.200 -0.001 0.000 2.349 448 E HA 0.512 4.862 4.350 -0.000 0.000 0.262 448 E C -0.175 176.483 176.600 0.097 0.000 1.088 448 E CA 0.098 56.563 56.400 0.108 0.000 0.899 448 E CB 0.693 30.564 29.700 0.284 0.000 1.044 448 E HN 0.105 nan 8.360 nan 0.000 0.420 449 T N 1.937 116.635 114.554 0.241 0.000 2.758 449 T HA 0.265 4.614 4.350 -0.000 0.000 0.285 449 T C -1.214 173.807 174.700 0.535 0.000 0.981 449 T CA -0.613 61.641 62.100 0.256 0.000 0.965 449 T CB 0.196 69.172 68.868 0.180 0.000 0.927 449 T HN 0.248 nan 8.240 nan 0.000 0.448 450 W N 4.055 125.447 121.300 0.154 0.000 2.573 450 W HA 0.556 5.216 4.660 -0.000 0.000 0.326 450 W C -0.353 176.374 176.519 0.347 0.000 1.049 450 W CA -1.909 55.568 57.345 0.219 0.000 1.220 450 W CB 0.530 30.118 29.460 0.214 0.000 1.373 450 W HN 0.674 nan 8.180 nan 0.000 0.507 451 Y N -0.242 120.240 120.300 0.304 0.000 2.549 451 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 451 Y C -0.142 175.745 175.900 -0.022 0.000 1.053 451 Y CA -1.517 56.703 58.100 0.200 0.000 1.105 451 Y CB 1.159 39.661 38.460 0.071 0.000 1.258 451 Y HN 0.294 nan 8.280 nan 0.000 0.478 452 D N 3.638 123.879 120.400 -0.264 0.000 2.344 452 D HA -0.005 4.635 4.640 -0.000 0.000 0.253 452 D C 0.952 176.979 176.300 -0.455 0.000 1.255 452 D CA -0.005 53.602 54.000 -0.654 0.000 0.894 452 D CB 0.575 41.021 40.800 -0.590 0.000 1.067 452 D HN 0.788 nan 8.370 nan 0.000 0.492 453 I N 3.676 123.843 120.570 -0.671 0.000 2.567 453 I HA -0.219 3.951 4.170 -0.000 0.000 0.257 453 I C 1.622 177.637 176.117 -0.170 0.000 1.184 453 I CA 1.466 62.499 61.300 -0.445 0.000 1.451 453 I CB -0.548 37.156 38.000 -0.494 0.000 1.089 453 I HN 0.507 nan 8.210 nan 0.000 0.441 454 T N -2.368 112.070 114.554 -0.193 0.000 3.067 454 T HA 0.114 4.464 4.350 -0.000 0.000 0.261 454 T C 1.644 176.311 174.700 -0.055 0.000 1.110 454 T CA 0.855 62.890 62.100 -0.107 0.000 1.113 454 T CB -0.175 68.623 68.868 -0.116 0.000 0.917 454 T HN 0.525 nan 8.240 nan 0.000 0.499 455 G N 1.660 110.431 108.800 -0.049 0.000 2.179 455 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 455 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 455 G C 0.945 175.843 174.900 -0.003 0.000 0.977 455 G CA 0.373 45.475 45.100 0.003 0.000 0.641 455 G HN 0.509 nan 8.290 nan 0.000 0.533 456 N N 0.123 118.805 118.700 -0.030 0.000 2.223 456 N HA -0.021 4.719 4.740 -0.000 0.000 0.185 456 N C 1.138 176.659 175.510 0.018 0.000 1.016 456 N CA 1.010 54.057 53.050 -0.004 0.000 0.863 456 N CB -0.029 38.452 38.487 -0.011 0.000 0.983 456 N HN 0.574 nan 8.380 nan 0.000 0.429 457 R N -0.170 120.337 120.500 0.011 0.000 2.513 457 R HA 0.225 4.565 4.340 -0.000 0.000 0.301 457 R C 0.630 176.980 176.300 0.085 0.000 0.968 457 R CA -0.192 55.950 56.100 0.070 0.000 0.872 457 R CB 1.540 31.923 30.300 0.139 0.000 1.177 457 R HN 0.073 nan 8.270 nan 0.000 0.444 458 S N 0.093 115.849 115.700 0.094 0.000 2.503 458 S HA -0.055 4.415 4.470 -0.000 0.000 0.217 458 S C 0.488 175.167 174.600 0.132 0.000 0.999 458 S CA -0.108 58.151 58.200 0.099 0.000 0.914 458 S CB -0.041 63.198 63.200 0.066 0.000 0.782 458 S HN 0.668 nan 8.310 nan 0.000 0.520 459 D N 3.317 123.812 120.400 0.157 0.000 2.295 459 D HA 0.210 4.850 4.640 -0.000 0.000 0.248 459 D C 0.415 176.871 176.300 0.260 0.000 1.154 459 D CA -0.255 53.847 54.000 0.170 0.000 0.857 459 D CB 1.168 42.051 40.800 0.138 0.000 1.117 459 D HN 0.295 nan 8.370 nan 0.000 0.468 460 T N -0.834 113.857 114.554 0.229 0.000 2.788 460 T HA 0.440 4.790 4.350 -0.000 0.000 0.287 460 T C 0.336 175.140 174.700 0.173 0.000 1.007 460 T CA -0.788 61.483 62.100 0.284 0.000 1.005 460 T CB 1.173 70.191 68.868 0.250 0.000 1.012 460 T HN 0.274 nan 8.240 nan 0.000 0.530 461 V N 1.245 121.235 119.914 0.127 0.000 2.604 461 V HA 0.513 4.633 4.120 -0.000 0.000 0.305 461 V C 0.005 176.027 176.094 -0.119 0.000 1.043 461 V CA -1.039 61.185 62.300 -0.128 0.000 0.888 461 V CB 1.796 33.324 31.823 -0.493 0.000 0.995 461 V HN 0.994 nan 8.190 nan 0.000 0.429 462 K N 4.716 125.008 120.400 -0.179 0.000 2.234 462 K HA 0.481 4.801 4.320 -0.000 0.000 0.277 462 K C -0.589 175.841 176.600 -0.283 0.000 1.038 462 K CA -0.689 55.500 56.287 -0.163 0.000 0.888 462 K CB 0.827 33.271 32.500 -0.094 0.000 1.091 462 K HN 0.485 nan 8.250 nan 0.000 0.467 463 I N 3.810 124.177 120.570 -0.338 0.000 2.556 463 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 463 I C 1.298 177.284 176.117 -0.218 0.000 1.114 463 I CA 0.125 61.191 61.300 -0.390 0.000 1.418 463 I CB 0.259 37.948 38.000 -0.519 0.000 1.394 463 I HN 0.765 nan 8.210 nan 0.000 0.552 464 G N 3.803 112.504 108.800 -0.166 0.000 2.667 464 G HA2 0.196 4.156 3.960 -0.000 0.000 0.250 464 G HA3 0.196 4.156 3.960 -0.000 0.000 0.250 464 G C 0.975 175.853 174.900 -0.036 0.000 1.212 464 G CA 0.085 45.140 45.100 -0.074 0.000 0.874 464 G HN 0.755 nan 8.290 nan 0.000 0.561 465 S N -0.658 115.038 115.700 -0.008 0.000 2.469 465 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 465 S C 1.368 175.999 174.600 0.052 0.000 0.998 465 S CA 1.562 59.770 58.200 0.012 0.000 0.957 465 S CB -0.102 63.106 63.200 0.012 0.000 0.764 465 S HN 0.682 nan 8.310 nan 0.000 0.514 466 D N -0.057 120.401 120.400 0.097 0.000 2.349 466 D HA 0.283 4.923 4.640 -0.000 0.000 0.214 466 D C 1.391 177.862 176.300 0.284 0.000 1.063 466 D CA 0.504 54.624 54.000 0.200 0.000 0.847 466 D CB -0.529 40.414 40.800 0.239 0.000 0.933 466 D HN 0.541 nan 8.370 nan 0.000 0.513 467 G N -0.527 108.333 108.800 0.100 0.000 2.176 467 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.253 467 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.253 467 G C -0.351 174.400 174.900 -0.248 0.000 0.979 467 G CA -0.084 44.942 45.100 -0.123 0.000 0.641 467 G HN 0.233 nan 8.290 nan 0.000 0.530 468 W N 0.458 121.709 121.300 -0.082 0.000 2.449 468 W HA 0.649 5.309 4.660 -0.000 0.000 0.331 468 W C 0.646 177.010 176.519 -0.259 0.000 1.119 468 W CA 0.504 57.790 57.345 -0.099 0.000 1.240 468 W CB 1.828 31.270 29.460 -0.029 0.000 1.251 468 W HN 0.526 nan 8.180 nan 0.000 0.576 469 G N 0.900 109.632 108.800 -0.114 0.000 2.619 469 G HA2 0.490 4.450 3.960 -0.000 0.000 0.296 469 G HA3 0.490 4.450 3.960 -0.000 0.000 0.296 469 G C -1.908 172.538 174.900 -0.756 0.000 1.334 469 G CA -0.814 43.918 45.100 -0.614 0.000 0.934 469 G HN 0.371 nan 8.290 nan 0.000 0.476 470 E N 0.547 120.203 120.200 -0.907 0.000 2.114 470 E HA 0.508 4.858 4.350 -0.000 0.000 0.266 470 E C -1.169 174.743 176.600 -1.147 0.000 0.896 470 E CA -0.548 55.436 56.400 -0.694 0.000 0.750 470 E CB 0.696 30.174 29.700 -0.369 0.000 1.121 470 E HN 0.221 nan 8.360 nan 0.000 0.413 471 F N 2.999 122.591 119.950 -0.598 0.000 2.458 471 F HA 0.394 4.921 4.527 -0.000 0.000 0.330 471 F C 0.583 176.028 175.800 -0.592 0.000 1.082 471 F CA -0.727 56.798 58.000 -0.792 0.000 0.995 471 F CB 1.126 39.776 39.000 -0.583 0.000 1.170 471 F HN 0.419 nan 8.300 nan 0.000 0.478 472 H N 0.911 120.035 119.070 0.090 0.000 2.621 472 H HA 0.763 5.319 4.556 -0.000 0.000 0.360 472 H C -0.988 174.480 175.328 0.234 0.000 1.163 472 H CA -1.005 55.127 56.048 0.140 0.000 1.194 472 H CB 2.343 32.165 29.762 0.100 0.000 1.649 472 H HN 0.506 nan 8.280 nan 0.000 0.532 473 V N 2.144 122.218 119.914 0.266 0.000 2.932 473 V HA 0.237 4.357 4.120 -0.000 0.000 0.307 473 V C -0.867 175.307 176.094 0.133 0.000 1.147 473 V CA -0.819 61.589 62.300 0.180 0.000 0.951 473 V CB 2.300 34.198 31.823 0.126 0.000 1.031 473 V HN 0.728 nan 8.190 nan 0.000 0.426 474 N N 2.677 121.443 118.700 0.109 0.000 2.379 474 N HA 0.301 5.041 4.740 -0.000 0.000 0.260 474 N C -0.785 174.780 175.510 0.092 0.000 1.254 474 N CA -0.376 52.726 53.050 0.087 0.000 0.958 474 N CB 0.392 38.923 38.487 0.074 0.000 1.208 474 N HN 0.678 nan 8.380 nan 0.000 0.532 475 D N -0.063 120.382 120.400 0.075 0.000 2.533 475 D HA 0.134 4.774 4.640 -0.000 0.000 0.236 475 D C 1.002 177.369 176.300 0.112 0.000 1.137 475 D CA 0.742 54.786 54.000 0.074 0.000 0.867 475 D CB -0.079 40.742 40.800 0.035 0.000 1.170 475 D HN 0.675 nan 8.370 nan 0.000 0.474 476 G N 1.499 110.398 108.800 0.166 0.000 2.422 476 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.301 476 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.301 476 G C 0.455 175.572 174.900 0.362 0.000 0.981 476 G CA 1.051 46.354 45.100 0.338 0.000 0.994 476 G HN 0.552 nan 8.290 nan 0.000 0.514 477 S N -2.298 113.538 115.700 0.226 0.000 2.810 477 S HA 0.836 5.306 4.470 -0.000 0.000 0.315 477 S C -0.434 174.214 174.600 0.081 0.000 1.138 477 S CA 0.058 58.345 58.200 0.145 0.000 0.889 477 S CB 2.337 65.599 63.200 0.104 0.000 1.236 477 S HN 1.445 nan 8.310 nan 0.000 0.548 478 V N 0.974 120.904 119.914 0.026 0.000 2.841 478 V HA 0.854 4.974 4.120 -0.000 0.000 0.310 478 V C -1.293 174.762 176.094 -0.065 0.000 1.090 478 V CA -0.107 62.177 62.300 -0.027 0.000 0.930 478 V CB 1.987 33.779 31.823 -0.051 0.000 1.014 478 V HN 0.840 nan 8.190 nan 0.000 0.425 479 S N 6.617 122.249 115.700 -0.113 0.000 2.548 479 S HA 0.731 5.201 4.470 -0.000 0.000 0.276 479 S C -1.300 173.106 174.600 -0.323 0.000 1.129 479 S CA -0.450 57.608 58.200 -0.238 0.000 0.931 479 S CB 1.539 64.638 63.200 -0.168 0.000 1.068 479 S HN 0.613 nan 8.310 nan 0.000 0.480 480 I N 3.614 123.908 120.570 -0.460 0.000 2.466 480 I HA 0.296 4.466 4.170 -0.000 0.000 0.279 480 I C -1.285 174.507 176.117 -0.541 0.000 1.033 480 I CA -0.655 60.401 61.300 -0.406 0.000 1.123 480 I CB 0.476 38.291 38.000 -0.307 0.000 1.237 480 I HN 0.593 nan 8.210 nan 0.000 0.460 481 Y N 5.412 125.539 120.300 -0.289 0.000 2.316 481 Y HA 0.516 5.066 4.550 -0.000 0.000 0.331 481 Y C 0.722 176.349 175.900 -0.456 0.000 1.083 481 Y CA -0.518 57.453 58.100 -0.215 0.000 1.206 481 Y CB 1.340 39.901 38.460 0.169 0.000 1.195 481 Y HN 0.414 nan 8.280 nan 0.000 0.497 482 V N 0.596 120.120 119.914 -0.649 0.000 3.078 482 V HA 0.466 4.586 4.120 -0.000 0.000 0.311 482 V C -0.675 174.833 176.094 -0.976 0.000 1.138 482 V CA -1.497 60.100 62.300 -1.171 0.000 1.007 482 V CB 1.797 32.676 31.823 -1.573 0.000 1.045 482 V HN 0.759 nan 8.190 nan 0.000 0.432 483 Q N 2.069 121.190 119.800 -1.132 0.000 2.300 483 Q HA 0.213 4.553 4.340 -0.000 0.000 0.280 483 Q C 0.194 176.235 176.000 0.069 0.000 1.033 483 Q CA 0.136 55.698 55.803 -0.402 0.000 0.903 483 Q CB 0.641 29.293 28.738 -0.144 0.000 1.195 483 Q HN 0.777 nan 8.270 nan 0.000 0.386 484 K N 0.000 120.552 120.400 0.253 0.000 2.780 484 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 484 K CA 0.000 56.419 56.287 0.220 0.000 0.838 484 K CB 0.000 32.581 32.500 0.135 0.000 1.064 484 K HN 0.000 nan 8.250 nan 0.000 0.543