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 3c0o_1_B DATA FIRST_RESID 2 DATA SEQUENCE EPVYPDQLRL FSLGQGVcGD KYRPVNREEA QSVKSNIVGM MGQWQISGLA DATA SEQUENCE NGWVIMGPGY NGEIKPGTAS NTWcYPTNPV TGEIPTLSAL DIPDGDEVDV DATA SEQUENCE QWRLVHDSAN FIKPTSYLAH YLGYAWVGGN HSQYVGEDMD VTRDGDGWVI DATA SEQUENCE RGNNDGGcDG YRcGDKTAIK VSNFAYNLDP DSFKHGDVTQ SDRQLVKTVV DATA SEQUENCE GWAVNDSDTP QSGYDVTLRG DTATNWSKTN TYGLSEKVTT KNKFKWPLVG DATA SEQUENCE ETELSIEIAA NQSWASQNGG STTTSLSQSV RPTVPARSKI PVKIELYKAD DATA SEQUENCE ISYPYEFKAD VSYDLTLSGF LRWGGNAWYT HPDNRPNWNH TFVIGPYKDK DATA SEQUENCE ASSIRYQWDK RYIPGEVKWW DWNWTIQQNG LSTMQNNLAR VLRPVRAGIT DATA SEQUENCE GDFSAESQFA GNIEIGAPVP LXXXXXXXXX XXXXXXXXGL RLEIPLDAQE DATA SEQUENCE LSGLGFNNVS LSVTPAA 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.490 176.600 -0.183 0.000 1.382 2 E CA 0.000 56.343 56.400 -0.095 0.000 0.976 2 E CB 0.000 29.657 29.700 -0.072 0.000 0.812 3 P HA 0.229 nan 4.420 nan 0.000 0.271 3 P C 0.066 177.023 177.300 -0.572 0.000 1.216 3 P CA -0.098 62.778 63.100 -0.374 0.000 0.771 3 P CB 1.355 32.818 31.700 -0.396 0.000 0.864 4 V N 4.008 123.637 119.914 -0.476 0.000 2.529 4 V HA -0.058 3.402 4.120 -1.100 0.000 0.292 4 V C -0.009 175.860 176.094 -0.374 0.000 1.028 4 V CA 0.053 62.028 62.300 -0.542 0.000 1.074 4 V CB -0.916 30.584 31.823 -0.539 0.000 0.958 4 V HN 0.374 nan 8.190 nan 0.000 0.481 5 Y N 7.768 128.157 120.300 0.148 0.000 2.477 5 Y HA 0.294 4.188 4.550 -1.094 0.000 0.349 5 Y C -1.045 174.958 175.900 0.172 0.000 0.977 5 Y CA -2.679 55.517 58.100 0.160 0.000 1.214 5 Y CB 0.638 39.213 38.460 0.192 0.000 1.124 5 Y HN 0.508 nan 8.280 nan 0.000 0.521 6 P HA -0.189 nan 4.420 nan 0.000 0.219 6 P C 0.735 178.099 177.300 0.106 0.000 1.146 6 P CA 1.505 64.650 63.100 0.075 0.000 0.808 6 P CB 0.299 31.980 31.700 -0.032 0.000 0.779 7 D N -0.625 119.854 120.400 0.133 0.000 2.392 7 D HA -0.146 3.834 4.640 -1.100 0.000 0.228 7 D C 1.525 177.899 176.300 0.124 0.000 1.003 7 D CA 0.762 54.819 54.000 0.095 0.000 0.917 7 D CB -0.667 40.164 40.800 0.052 0.000 0.890 7 D HN 0.275 nan 8.370 nan 0.000 0.532 8 Q N -0.431 119.488 119.800 0.199 0.000 2.280 8 Q HA 0.250 3.930 4.340 -1.100 0.000 0.228 8 Q C 0.573 176.715 176.000 0.236 0.000 0.857 8 Q CA -0.358 55.544 55.803 0.165 0.000 0.939 8 Q CB 0.935 29.724 28.738 0.084 0.000 1.114 8 Q HN 0.296 nan 8.270 nan 0.000 0.514 9 L N 1.710 123.130 121.223 0.328 0.000 2.554 9 L HA -0.036 3.644 4.340 -1.100 0.000 0.293 9 L C 0.217 177.304 176.870 0.362 0.000 1.252 9 L CA 0.700 55.775 54.840 0.391 0.000 0.862 9 L CB 0.024 42.187 42.059 0.173 0.000 1.113 9 L HN 0.024 nan 8.230 nan 0.000 0.510 10 R N 1.688 122.412 120.500 0.373 0.000 2.604 10 R HA 0.547 4.227 4.340 -1.100 0.000 0.281 10 R C -1.540 174.724 176.300 -0.060 0.000 1.020 10 R CA -0.667 55.435 56.100 0.004 0.000 0.899 10 R CB 1.620 31.629 30.300 -0.486 0.000 1.205 10 R HN 0.463 nan 8.270 nan 0.000 0.450 11 L N 4.333 125.324 121.223 -0.386 0.000 2.275 11 L HA 0.593 4.273 4.340 -1.100 0.000 0.288 11 L C -1.482 175.032 176.870 -0.593 0.000 1.046 11 L CA 0.083 54.590 54.840 -0.555 0.000 0.805 11 L CB 0.568 42.124 42.059 -0.838 0.000 1.193 11 L HN 0.552 nan 8.230 nan 0.000 0.426 12 F N 1.763 121.583 119.950 -0.217 0.000 2.523 12 F HA 0.478 4.343 4.527 -1.103 0.000 0.329 12 F C 0.577 176.295 175.800 -0.137 0.000 1.061 12 F CA -0.477 57.429 58.000 -0.157 0.000 0.967 12 F CB 2.144 41.078 39.000 -0.110 0.000 1.218 12 F HN 0.471 nan 8.300 nan 0.000 0.480 13 S N 1.631 117.394 115.700 0.104 0.000 2.256 13 S HA 0.417 4.227 4.470 -1.100 0.000 0.210 13 S C -0.391 174.239 174.600 0.050 0.000 1.329 13 S CA -0.425 57.792 58.200 0.028 0.000 1.267 13 S CB -0.571 62.618 63.200 -0.019 0.000 1.086 13 S HN 0.648 nan 8.310 nan 0.000 0.468 14 L N 1.680 122.942 121.223 0.065 0.000 2.910 14 L HA 0.547 4.227 4.340 -1.100 0.000 0.252 14 L C 1.046 177.925 176.870 0.016 0.000 1.195 14 L CA 0.090 54.952 54.840 0.038 0.000 1.003 14 L CB 0.018 42.092 42.059 0.026 0.000 1.328 14 L HN 0.836 nan 8.230 nan 0.000 0.540 15 G N 0.617 109.426 108.800 0.014 0.000 2.619 15 G HA2 -0.215 3.085 3.960 -1.100 0.000 0.686 15 G HA3 -0.215 3.085 3.960 -1.100 0.000 0.686 15 G C -0.630 174.276 174.900 0.010 0.000 1.256 15 G CA -0.847 44.258 45.100 0.008 0.000 0.826 15 G HN 0.180 nan 8.290 nan 0.000 0.619 16 Q N 0.274 120.079 119.800 0.008 0.000 2.263 16 Q HA 0.453 4.133 4.340 -1.100 0.000 0.289 16 Q C 1.511 177.523 176.000 0.019 0.000 1.061 16 Q CA 2.044 57.855 55.803 0.013 0.000 0.927 16 Q CB 0.032 28.774 28.738 0.007 0.000 1.154 16 Q HN 2.585 nan 8.270 nan 0.000 0.378 17 G N 2.688 111.509 108.800 0.035 0.000 2.283 17 G HA2 -0.217 3.083 3.960 -1.100 0.000 0.280 17 G HA3 -0.217 3.083 3.960 -1.100 0.000 0.280 17 G C -0.422 174.495 174.900 0.029 0.000 1.029 17 G CA 0.262 45.389 45.100 0.045 0.000 0.840 17 G HN 0.589 nan 8.290 nan 0.000 0.505 18 V N -0.381 119.543 119.914 0.016 0.000 2.540 18 V HA 0.612 4.073 4.120 -1.100 0.000 0.302 18 V C 0.534 176.579 176.094 -0.081 0.000 1.035 18 V CA -0.790 61.494 62.300 -0.026 0.000 0.873 18 V CB 1.856 33.661 31.823 -0.028 0.000 0.992 18 V HN 0.421 nan 8.190 nan 0.000 0.428 19 c N 2.896 121.385 118.600 -0.185 0.000 2.470 19 c HA 0.852 4.762 4.570 -1.100 0.000 0.341 19 c C 1.151 174.770 174.090 -0.785 0.000 1.190 19 c CA -0.598 55.430 56.329 -0.502 0.000 1.904 19 c CB 1.481 43.841 42.510 -0.249 0.000 2.354 19 c HN 1.064 nan 8.230 nan 0.000 0.509 20 G N 0.289 108.023 108.800 -1.777 0.000 2.653 20 G HA2 0.304 3.604 3.960 -1.100 0.000 0.265 20 G HA3 0.304 3.604 3.960 -1.100 0.000 0.265 20 G C -0.355 174.346 174.900 -0.332 0.000 1.237 20 G CA 0.070 44.625 45.100 -0.908 0.000 0.946 20 G HN 0.789 nan 8.290 nan 0.000 0.522 21 D N -0.530 119.817 120.400 -0.088 0.000 2.506 21 D HA -0.000 3.980 4.640 -1.100 0.000 0.234 21 D C 0.947 177.307 176.300 0.100 0.000 1.143 21 D CA 0.759 54.761 54.000 0.004 0.000 0.871 21 D CB 0.413 41.233 40.800 0.034 0.000 1.190 21 D HN 0.529 nan 8.370 nan 0.000 0.459 22 K N 0.320 120.735 120.400 0.024 0.000 3.548 22 K HA -0.247 3.413 4.320 -1.100 0.000 0.296 22 K C -0.618 175.844 176.600 -0.231 0.000 1.324 22 K CA 0.931 57.176 56.287 -0.070 0.000 0.976 22 K CB -1.371 31.095 32.500 -0.056 0.000 1.294 22 K HN 0.430 nan 8.250 nan 0.000 0.464 23 Y N 0.304 120.574 120.300 -0.051 0.000 2.598 23 Y HA 0.616 4.504 4.550 -1.103 0.000 0.340 23 Y C 0.227 176.116 175.900 -0.018 0.000 1.038 23 Y CA -0.952 57.149 58.100 0.001 0.000 1.100 23 Y CB 1.509 40.014 38.460 0.075 0.000 1.281 23 Y HN 0.024 nan 8.280 nan 0.000 0.488 24 R N -0.495 120.132 120.500 0.211 0.000 2.707 24 R HA 0.630 4.310 4.340 -1.100 0.000 0.272 24 R C -3.546 172.876 176.300 0.204 0.000 1.011 24 R CA -2.490 53.696 56.100 0.143 0.000 0.893 24 R CB 0.327 30.683 30.300 0.094 0.000 1.233 24 R HN 0.158 nan 8.270 nan 0.000 0.464 25 P HA 0.101 nan 4.420 nan 0.000 0.271 25 P C -0.481 176.927 177.300 0.180 0.000 1.216 25 P CA -0.495 62.713 63.100 0.181 0.000 0.776 25 P CB 0.595 32.375 31.700 0.133 0.000 0.881 26 V N 3.224 123.264 119.914 0.209 0.000 2.686 26 V HA 0.132 3.592 4.120 -1.100 0.000 0.295 26 V C 0.869 177.004 176.094 0.067 0.000 1.055 26 V CA -0.186 62.189 62.300 0.125 0.000 1.050 26 V CB 0.343 32.249 31.823 0.138 0.000 0.984 26 V HN 0.676 nan 8.190 nan 0.000 0.482 27 N N 4.054 122.748 118.700 -0.011 0.000 2.476 27 N HA 0.245 4.325 4.740 -1.100 0.000 0.275 27 N C 1.048 176.492 175.510 -0.110 0.000 1.190 27 N CA -0.848 52.179 53.050 -0.039 0.000 0.977 27 N CB 0.479 38.931 38.487 -0.059 0.000 1.200 27 N HN 0.579 nan 8.380 nan 0.000 0.515 28 R N 0.003 120.376 120.500 -0.212 0.000 2.139 28 R HA -0.243 3.437 4.340 -1.100 0.000 0.243 28 R C 1.063 177.182 176.300 -0.302 0.000 1.145 28 R CA 1.947 57.829 56.100 -0.364 0.000 0.976 28 R CB -0.232 29.509 30.300 -0.931 0.000 0.866 28 R HN 0.880 nan 8.270 nan 0.000 0.449 29 E N 0.268 120.314 120.200 -0.255 0.000 2.140 29 E HA -0.099 3.591 4.350 -1.100 0.000 0.191 29 E C 1.550 178.041 176.600 -0.182 0.000 0.973 29 E CA 0.715 56.987 56.400 -0.213 0.000 0.829 29 E CB 0.204 29.792 29.700 -0.185 0.000 0.781 29 E HN 0.532 nan 8.360 nan 0.000 0.466 30 E N 0.292 120.384 120.200 -0.180 0.000 2.107 30 E HA -0.114 3.576 4.350 -1.100 0.000 0.191 30 E C 1.963 178.447 176.600 -0.193 0.000 0.982 30 E CA 0.937 57.216 56.400 -0.201 0.000 0.809 30 E CB -0.050 29.507 29.700 -0.238 0.000 0.756 30 E HN 0.317 nan 8.360 nan 0.000 0.459 31 A N 1.004 123.724 122.820 -0.166 0.000 1.969 31 A HA -0.226 3.434 4.320 -1.100 0.000 0.218 31 A C 2.139 179.637 177.584 -0.143 0.000 1.169 31 A CA 1.429 53.373 52.037 -0.154 0.000 0.635 31 A CB -0.354 18.585 19.000 -0.103 0.000 0.810 31 A HN 0.118 nan 8.150 nan 0.000 0.445 32 Q N 1.006 120.720 119.800 -0.144 0.000 2.124 32 Q HA -0.157 3.523 4.340 -1.100 0.000 0.202 32 Q C 2.134 178.062 176.000 -0.119 0.000 0.977 32 Q CA 2.454 58.181 55.803 -0.125 0.000 0.850 32 Q CB -0.502 28.154 28.738 -0.138 0.000 0.901 32 Q HN 0.728 nan 8.270 nan 0.000 0.429 33 S N -1.220 114.399 115.700 -0.136 0.000 2.447 33 S HA -0.076 3.734 4.470 -1.100 0.000 0.233 33 S C 1.143 175.670 174.600 -0.122 0.000 1.006 33 S CA 0.770 58.894 58.200 -0.127 0.000 0.957 33 S CB -0.126 62.988 63.200 -0.144 0.000 0.773 33 S HN 0.435 nan 8.310 nan 0.000 0.507 34 V N -1.951 117.882 119.914 -0.135 0.000 2.838 34 V HA 0.490 3.950 4.120 -1.100 0.000 0.363 34 V C 1.194 177.213 176.094 -0.125 0.000 1.324 34 V CA -0.555 61.671 62.300 -0.124 0.000 1.220 34 V CB 0.029 31.770 31.823 -0.137 0.000 1.328 34 V HN 0.284 nan 8.190 nan 0.000 0.595 35 K N 2.210 122.545 120.400 -0.109 0.000 2.032 35 K HA -0.201 3.459 4.320 -1.100 0.000 0.209 35 K C 2.177 178.724 176.600 -0.089 0.000 1.048 35 K CA 2.395 58.622 56.287 -0.100 0.000 0.927 35 K CB -0.176 32.280 32.500 -0.072 0.000 0.712 35 K HN 0.792 nan 8.250 nan 0.000 0.441 36 S N 0.549 116.205 115.700 -0.072 0.000 2.447 36 S HA -0.083 3.727 4.470 -1.100 0.000 0.233 36 S C 1.541 176.098 174.600 -0.071 0.000 1.006 36 S CA 0.998 59.162 58.200 -0.060 0.000 0.957 36 S CB -0.375 62.796 63.200 -0.048 0.000 0.773 36 S HN 0.349 nan 8.310 nan 0.000 0.507 37 N N 1.580 120.226 118.700 -0.091 0.000 2.171 37 N HA 0.081 4.161 4.740 -1.100 0.000 0.184 37 N C 1.774 177.195 175.510 -0.148 0.000 1.021 37 N CA 1.534 54.525 53.050 -0.099 0.000 0.854 37 N CB -0.271 38.161 38.487 -0.091 0.000 0.994 37 N HN 0.452 nan 8.380 nan 0.000 0.426 38 I N 1.073 121.512 120.570 -0.218 0.000 2.163 38 I HA -0.201 3.309 4.170 -1.100 0.000 0.240 38 I C 2.295 178.304 176.117 -0.180 0.000 1.081 38 I CA 0.742 61.820 61.300 -0.370 0.000 1.353 38 I CB -0.330 37.376 38.000 -0.491 0.000 1.054 38 I HN -0.135 nan 8.210 nan 0.000 0.407 39 V N 1.196 121.061 119.914 -0.082 0.000 2.282 39 V HA -0.276 3.184 4.120 -1.100 0.000 0.249 39 V C 2.505 178.603 176.094 0.007 0.000 1.057 39 V CA 2.247 64.550 62.300 0.005 0.000 1.032 39 V CB -1.634 30.186 31.823 -0.004 0.000 0.645 39 V HN 0.619 nan 8.190 nan 0.000 0.447 40 G N -1.225 107.559 108.800 -0.026 0.000 2.586 40 G HA2 -0.182 3.118 3.960 -1.100 0.000 0.215 40 G HA3 -0.182 3.118 3.960 -1.100 0.000 0.215 40 G C 1.304 176.210 174.900 0.010 0.000 1.128 40 G CA 0.389 45.478 45.100 -0.018 0.000 0.774 40 G HN 0.503 nan 8.290 nan 0.000 0.543 41 M N -0.027 119.592 119.600 0.032 0.000 2.453 41 M HA 0.417 4.237 4.480 -1.100 0.000 0.239 41 M C 0.267 176.697 176.300 0.217 0.000 1.151 41 M CA 0.171 55.534 55.300 0.106 0.000 0.989 41 M CB 0.356 33.011 32.600 0.092 0.000 1.548 41 M HN 0.077 nan 8.290 nan 0.000 0.479 42 M N -0.812 118.886 119.600 0.165 0.000 2.598 42 M HA 0.505 4.325 4.480 -1.100 0.000 0.317 42 M C 0.411 176.758 176.300 0.078 0.000 1.179 42 M CA -0.724 54.688 55.300 0.185 0.000 0.936 42 M CB 2.001 34.741 32.600 0.233 0.000 1.713 42 M HN 0.098 nan 8.290 nan 0.000 0.460 43 G N 0.412 109.251 108.800 0.066 0.000 2.503 43 G HA2 0.196 3.496 3.960 -1.100 0.000 0.257 43 G HA3 0.196 3.496 3.960 -1.100 0.000 0.257 43 G C 0.338 175.207 174.900 -0.053 0.000 1.214 43 G CA -0.255 44.850 45.100 0.009 0.000 0.839 43 G HN 0.892 nan 8.290 nan 0.000 0.559 44 Q N 0.870 120.560 119.800 -0.183 0.000 2.066 44 Q HA -0.247 3.433 4.340 -1.100 0.000 0.216 44 Q C 1.247 176.884 176.000 -0.606 0.000 1.035 44 Q CA 2.874 58.372 55.803 -0.508 0.000 0.897 44 Q CB -0.289 28.062 28.738 -0.645 0.000 1.010 44 Q HN 0.751 nan 8.270 nan 0.000 0.416 45 W N 0.655 121.951 121.300 -0.006 0.000 3.102 45 W HA 0.346 4.344 4.660 -1.103 0.000 0.401 45 W C -0.034 176.653 176.519 0.281 0.000 1.070 45 W CA -0.856 56.514 57.345 0.043 0.000 1.921 45 W CB 0.196 29.624 29.460 -0.053 0.000 1.118 45 W HN 0.226 nan 8.180 nan 0.000 0.647 46 Q N 1.835 121.816 119.800 0.302 0.000 2.337 46 Q HA 0.226 3.906 4.340 -1.100 0.000 0.270 46 Q C -0.304 175.853 176.000 0.261 0.000 1.002 46 Q CA 0.543 56.486 55.803 0.234 0.000 0.888 46 Q CB 0.605 29.429 28.738 0.144 0.000 1.222 46 Q HN 0.211 nan 8.270 nan 0.000 0.400 47 I N 3.182 123.857 120.570 0.175 0.000 2.410 47 I HA 0.279 3.790 4.170 -1.100 0.000 0.286 47 I C -0.752 175.406 176.117 0.070 0.000 1.009 47 I CA -0.551 60.817 61.300 0.112 0.000 1.111 47 I CB 1.923 39.949 38.000 0.043 0.000 1.262 47 I HN 0.513 nan 8.210 nan 0.000 0.443 48 S N 3.363 119.120 115.700 0.096 0.000 2.536 48 S HA 0.669 4.479 4.470 -1.100 0.000 0.298 48 S C 0.184 174.852 174.600 0.113 0.000 1.083 48 S CA -0.752 57.463 58.200 0.025 0.000 0.995 48 S CB 2.068 65.157 63.200 -0.185 0.000 1.058 48 S HN 0.760 nan 8.310 nan 0.000 0.488 49 G N 0.888 109.733 108.800 0.075 0.000 2.507 49 G HA2 0.611 3.911 3.960 -1.100 0.000 0.271 49 G HA3 0.611 3.911 3.960 -1.100 0.000 0.271 49 G C -0.688 174.340 174.900 0.212 0.000 1.189 49 G CA -0.414 44.763 45.100 0.129 0.000 0.859 49 G HN 0.553 nan 8.290 nan 0.000 0.542 50 L N 0.081 121.438 121.223 0.223 0.000 2.183 50 L HA 0.707 4.388 4.340 -1.100 0.000 0.253 50 L C 0.838 177.832 176.870 0.208 0.000 1.048 50 L CA -1.332 53.647 54.840 0.233 0.000 0.890 50 L CB 1.589 43.792 42.059 0.240 0.000 1.476 50 L HN 0.616 nan 8.230 nan 0.000 0.455 51 A N 0.461 123.386 122.820 0.176 0.000 2.498 51 A HA 0.217 3.877 4.320 -1.100 0.000 0.239 51 A C 0.558 178.281 177.584 0.230 0.000 1.068 51 A CA 0.858 52.990 52.037 0.157 0.000 0.766 51 A CB -0.478 18.584 19.000 0.103 0.000 1.003 51 A HN 0.967 nan 8.150 nan 0.000 0.497 52 N N 0.185 118.991 118.700 0.176 0.000 2.783 52 N HA -0.058 4.022 4.740 -1.100 0.000 0.247 52 N C 0.663 176.302 175.510 0.215 0.000 1.089 52 N CA 1.682 54.846 53.050 0.190 0.000 0.690 52 N CB -1.306 37.300 38.487 0.198 0.000 0.991 52 N HN 2.447 nan 8.380 nan 0.000 0.552 53 G N -2.613 106.254 108.800 0.112 0.000 2.132 53 G HA2 -0.278 3.022 3.960 -1.100 0.000 0.228 53 G HA3 -0.278 3.022 3.960 -1.100 0.000 0.228 53 G C -0.210 174.567 174.900 -0.206 0.000 1.000 53 G CA 0.176 45.241 45.100 -0.058 0.000 0.693 53 G HN 0.416 nan 8.290 nan 0.000 0.515 54 W N -1.013 120.300 121.300 0.021 0.000 2.799 54 W HA 0.736 5.390 4.660 -0.010 0.000 0.349 54 W C 0.234 176.774 176.519 0.035 0.000 1.100 54 W CA -0.487 56.871 57.345 0.022 0.000 1.174 54 W CB 2.072 31.545 29.460 0.023 0.000 1.427 54 W HN 0.652 nan 8.180 nan 0.000 0.547 55 V N 0.541 120.623 119.914 0.280 0.000 3.049 55 V HA 0.670 4.130 4.120 -1.100 0.000 0.309 55 V C -1.279 174.942 176.094 0.212 0.000 1.148 55 V CA -1.316 61.102 62.300 0.197 0.000 0.990 55 V CB 1.633 33.509 31.823 0.088 0.000 1.039 55 V HN 0.632 nan 8.190 nan 0.000 0.430 56 I N 3.172 123.869 120.570 0.212 0.000 2.525 56 I HA 0.692 4.203 4.170 -1.100 0.000 0.301 56 I C -0.216 176.004 176.117 0.172 0.000 0.992 56 I CA -0.954 60.456 61.300 0.184 0.000 1.162 56 I CB 1.885 39.996 38.000 0.186 0.000 1.332 56 I HN 0.808 nan 8.210 nan 0.000 0.458 57 M N 4.682 124.369 119.600 0.146 0.000 2.705 57 M HA 0.489 4.309 4.480 -1.100 0.000 0.311 57 M C 0.421 176.868 176.300 0.246 0.000 1.214 57 M CA -0.735 54.672 55.300 0.178 0.000 0.920 57 M CB 1.522 34.163 32.600 0.070 0.000 1.687 57 M HN 0.651 nan 8.290 nan 0.000 0.481 58 G N 0.572 109.565 108.800 0.322 0.000 2.653 58 G HA2 0.262 3.563 3.960 -1.100 0.000 0.265 58 G HA3 0.262 3.563 3.960 -1.100 0.000 0.265 58 G C -1.928 172.999 174.900 0.045 0.000 1.237 58 G CA -1.082 44.111 45.100 0.155 0.000 0.946 58 G HN 0.475 nan 8.290 nan 0.000 0.522 59 P HA -0.080 nan 4.420 nan 0.000 0.222 59 P C 1.777 178.932 177.300 -0.243 0.000 1.147 59 P CA 1.507 64.538 63.100 -0.114 0.000 0.790 59 P CB -0.004 31.619 31.700 -0.129 0.000 0.780 60 G N -0.967 107.523 108.800 -0.518 0.000 2.421 60 G HA2 -0.217 3.083 3.960 -1.100 0.000 0.217 60 G HA3 -0.217 3.083 3.960 -1.100 0.000 0.217 60 G C 0.849 175.433 174.900 -0.526 0.000 1.143 60 G CA 0.248 44.778 45.100 -0.950 0.000 0.784 60 G HN 0.247 nan 8.290 nan 0.000 0.541 61 Y N 0.112 120.360 120.300 -0.087 0.000 2.462 61 Y HA 0.222 4.115 4.550 -1.094 0.000 0.293 61 Y C 1.123 177.057 175.900 0.056 0.000 1.195 61 Y CA -0.194 57.984 58.100 0.129 0.000 1.276 61 Y CB -0.607 37.969 38.460 0.194 0.000 1.082 61 Y HN 0.263 nan 8.280 nan 0.000 0.514 62 N N -0.899 117.861 118.700 0.099 0.000 2.800 62 N HA -0.199 3.881 4.740 -1.100 0.000 0.250 62 N C 0.943 176.499 175.510 0.077 0.000 1.078 62 N CA 0.458 53.549 53.050 0.068 0.000 0.804 62 N CB -1.144 37.393 38.487 0.083 0.000 1.135 62 N HN 0.584 nan 8.380 nan 0.000 0.565 63 G N 0.746 109.607 108.800 0.103 0.000 2.273 63 G HA2 -0.370 2.930 3.960 -1.100 0.000 0.280 63 G HA3 -0.370 2.930 3.960 -1.100 0.000 0.280 63 G C -0.211 174.741 174.900 0.087 0.000 1.047 63 G CA 0.687 45.838 45.100 0.085 0.000 0.869 63 G HN 0.728 nan 8.290 nan 0.000 0.502 64 E N -0.567 119.701 120.200 0.114 0.000 2.360 64 E HA 0.443 4.133 4.350 -1.100 0.000 0.269 64 E C 0.442 177.105 176.600 0.104 0.000 1.022 64 E CA -0.541 55.919 56.400 0.099 0.000 0.887 64 E CB 0.315 30.075 29.700 0.100 0.000 0.990 64 E HN 0.369 nan 8.360 nan 0.000 0.426 65 I N 5.555 126.195 120.570 0.117 0.000 2.339 65 I HA 0.319 3.829 4.170 -1.100 0.000 0.290 65 I C -0.289 176.018 176.117 0.315 0.000 0.994 65 I CA -0.314 61.096 61.300 0.184 0.000 1.191 65 I CB 0.984 39.048 38.000 0.106 0.000 1.343 65 I HN 0.526 nan 8.210 nan 0.000 0.458 66 K N 5.707 126.341 120.400 0.390 0.000 2.579 66 K HA 0.640 4.300 4.320 -1.100 0.000 0.284 66 K C -3.238 173.333 176.600 -0.049 0.000 0.990 66 K CA -1.921 54.523 56.287 0.261 0.000 0.880 66 K CB 1.707 34.247 32.500 0.067 0.000 1.488 66 K HN 0.006 nan 8.250 nan 0.000 0.425 67 P HA 0.313 nan 4.420 nan 0.000 0.271 67 P C -0.560 176.520 177.300 -0.367 0.000 1.218 67 P CA 0.174 62.754 63.100 -0.866 0.000 0.780 67 P CB 1.041 32.195 31.700 -0.909 0.000 0.901 68 G N 0.312 108.944 108.800 -0.280 0.000 2.328 68 G HA2 0.501 3.802 3.960 -1.100 0.000 0.295 68 G HA3 0.501 3.802 3.960 -1.100 0.000 0.295 68 G C -1.473 173.369 174.900 -0.096 0.000 1.413 68 G CA -0.571 44.439 45.100 -0.150 0.000 0.817 68 G HN 0.581 nan 8.290 nan 0.000 0.546 69 T N -2.237 112.279 114.554 -0.064 0.000 2.856 69 T HA 0.932 4.622 4.350 -1.100 0.000 0.283 69 T C -0.206 174.484 174.700 -0.016 0.000 1.008 69 T CA 0.011 62.090 62.100 -0.035 0.000 0.997 69 T CB 1.971 70.817 68.868 -0.037 0.000 0.992 69 T HN 2.245 nan 8.240 nan 0.000 0.454 70 A N 1.440 124.260 122.820 0.001 0.000 2.488 70 A HA 0.640 4.300 4.320 -1.100 0.000 0.295 70 A C 0.752 178.339 177.584 0.004 0.000 1.045 70 A CA -0.399 51.641 52.037 0.004 0.000 0.703 70 A CB 1.205 20.213 19.000 0.013 0.000 1.271 70 A HN 1.324 nan 8.150 nan 0.000 0.400 71 S N 0.823 116.522 115.700 -0.001 0.000 2.603 71 S HA -0.017 3.793 4.470 -1.100 0.000 0.229 71 S C 0.366 174.963 174.600 -0.005 0.000 0.972 71 S CA 0.759 58.958 58.200 -0.001 0.000 0.935 71 S CB -1.026 62.173 63.200 -0.003 0.000 0.769 71 S HN 1.039 nan 8.310 nan 0.000 0.536 72 N N -0.519 118.170 118.700 -0.019 0.000 2.238 72 N HA 0.597 4.677 4.740 -1.100 0.000 0.302 72 N C -1.454 174.023 175.510 -0.054 0.000 1.072 72 N CA -0.723 52.298 53.050 -0.047 0.000 0.792 72 N CB 1.948 40.374 38.487 -0.102 0.000 1.425 72 N HN -0.091 nan 8.380 nan 0.000 0.478 73 T N 0.379 114.912 114.554 -0.036 0.000 2.886 73 T HA 0.281 3.971 4.350 -1.100 0.000 0.292 73 T C -1.252 173.478 174.700 0.050 0.000 1.012 73 T CA -0.385 61.736 62.100 0.035 0.000 0.982 73 T CB 0.577 69.509 68.868 0.106 0.000 1.018 73 T HN 0.458 nan 8.240 nan 0.000 0.451 74 W N 2.278 123.659 121.300 0.135 0.000 2.345 74 W HA 0.480 4.475 4.660 -1.107 0.000 0.308 74 W C 0.068 176.708 176.519 0.201 0.000 1.273 74 W CA -0.468 56.962 57.345 0.140 0.000 1.243 74 W CB 0.554 30.078 29.460 0.107 0.000 1.260 74 W HN 0.578 nan 8.180 nan 0.000 0.509 75 c N 3.326 122.279 118.600 0.588 0.000 2.913 75 c HA 0.611 4.521 4.570 -1.100 0.000 0.322 75 c C -0.911 173.579 174.090 0.667 0.000 1.292 75 c CA -0.861 55.796 56.329 0.547 0.000 1.649 75 c CB 1.484 44.331 42.510 0.562 0.000 2.139 75 c HN 0.501 nan 8.230 nan 0.000 0.475 76 Y N 0.857 121.434 120.300 0.461 0.000 2.534 76 Y HA 0.551 4.447 4.550 -1.089 0.000 0.345 76 Y C -2.723 173.293 175.900 0.193 0.000 1.031 76 Y CA -2.167 56.141 58.100 0.345 0.000 1.022 76 Y CB 1.863 40.427 38.460 0.175 0.000 1.292 76 Y HN 0.458 nan 8.280 nan 0.000 0.459 77 P HA 0.112 nan 4.420 nan 0.000 0.271 77 P C 0.471 177.585 177.300 -0.311 0.000 1.216 77 P CA 0.211 62.915 63.100 -0.660 0.000 0.776 77 P CB 0.880 32.183 31.700 -0.662 0.000 0.881 78 T N -1.259 113.151 114.554 -0.239 0.000 2.915 78 T HA -0.135 3.555 4.350 -1.100 0.000 0.269 78 T C 0.787 175.418 174.700 -0.115 0.000 1.071 78 T CA 1.104 63.140 62.100 -0.107 0.000 1.132 78 T CB -0.622 68.195 68.868 -0.085 0.000 0.878 78 T HN 0.325 nan 8.240 nan 0.000 0.479 79 N N 2.713 121.305 118.700 -0.180 0.000 2.904 79 N HA 0.358 4.439 4.740 -1.100 0.000 0.257 79 N C -2.914 172.487 175.510 -0.183 0.000 1.363 79 N CA -2.069 50.888 53.050 -0.156 0.000 0.856 79 N CB 0.952 39.353 38.487 -0.144 0.000 1.166 79 N HN 0.221 nan 8.380 nan 0.000 0.499 80 P HA 0.116 nan 4.420 nan 0.000 0.274 80 P C -0.497 176.775 177.300 -0.048 0.000 1.237 80 P CA -0.394 62.612 63.100 -0.157 0.000 0.793 80 P CB 1.054 32.708 31.700 -0.077 0.000 0.977 81 V N 2.034 121.945 119.914 -0.005 0.000 2.427 81 V HA 0.127 3.587 4.120 -1.100 0.000 0.268 81 V C 1.337 177.502 176.094 0.118 0.000 1.046 81 V CA -0.103 62.226 62.300 0.048 0.000 0.970 81 V CB -0.229 31.608 31.823 0.025 0.000 1.001 81 V HN 0.770 nan 8.190 nan 0.000 0.476 82 T N 1.433 116.074 114.554 0.145 0.000 2.754 82 T HA 0.498 4.188 4.350 -1.100 0.000 0.286 82 T C 1.098 175.928 174.700 0.216 0.000 0.997 82 T CA 0.125 62.373 62.100 0.247 0.000 0.982 82 T CB 1.043 70.008 68.868 0.161 0.000 1.027 82 T HN 1.752 nan 8.240 nan 0.000 0.529 83 G N 0.980 109.951 108.800 0.286 0.000 2.371 83 G HA2 -0.214 3.086 3.960 -1.100 0.000 0.299 83 G HA3 -0.214 3.086 3.960 -1.100 0.000 0.299 83 G C -0.085 174.975 174.900 0.268 0.000 1.014 83 G CA 0.293 45.560 45.100 0.279 0.000 1.097 83 G HN 0.941 nan 8.290 nan 0.000 0.512 84 E N -1.127 119.015 120.200 -0.096 0.000 2.438 84 E HA 0.218 3.908 4.350 -1.100 0.000 0.261 84 E C 0.949 177.473 176.600 -0.126 0.000 1.103 84 E CA -0.020 56.266 56.400 -0.191 0.000 0.959 84 E CB 0.757 30.040 29.700 -0.695 0.000 0.958 84 E HN 0.443 nan 8.360 nan 0.000 0.447 85 I N 3.613 124.016 120.570 -0.278 0.000 2.337 85 I HA 0.145 3.656 4.170 -1.100 0.000 0.291 85 I C -2.012 173.963 176.117 -0.237 0.000 1.046 85 I CA -2.055 59.006 61.300 -0.399 0.000 1.324 85 I CB 0.502 38.116 38.000 -0.644 0.000 1.409 85 I HN 0.168 nan 8.210 nan 0.000 0.494 86 P HA 0.075 nan 4.420 nan 0.000 0.269 86 P C -0.572 176.665 177.300 -0.106 0.000 1.215 86 P CA -0.180 62.864 63.100 -0.094 0.000 0.780 86 P CB 0.413 32.074 31.700 -0.065 0.000 0.898 87 T N 3.003 117.514 114.554 -0.072 0.000 2.781 87 T HA 0.332 4.022 4.350 -1.100 0.000 0.305 87 T C 0.378 175.048 174.700 -0.050 0.000 1.001 87 T CA -0.456 61.605 62.100 -0.066 0.000 0.950 87 T CB -0.322 68.516 68.868 -0.050 0.000 0.955 87 T HN 0.157 nan 8.240 nan 0.000 0.471 88 L N 2.144 123.336 121.223 -0.053 0.000 2.467 88 L HA 0.184 3.864 4.340 -1.100 0.000 0.270 88 L C 1.195 178.048 176.870 -0.028 0.000 1.205 88 L CA -0.527 54.290 54.840 -0.039 0.000 0.828 88 L CB 0.102 42.138 42.059 -0.039 0.000 1.101 88 L HN 0.549 nan 8.230 nan 0.000 0.479 89 S N 1.320 117.006 115.700 -0.024 0.000 2.599 89 S HA 0.096 3.906 4.470 -1.100 0.000 0.303 89 S C 0.505 175.099 174.600 -0.011 0.000 1.267 89 S CA -0.411 57.778 58.200 -0.018 0.000 1.055 89 S CB 0.545 63.733 63.200 -0.019 0.000 0.790 89 S HN 0.687 nan 8.310 nan 0.000 0.500 90 A N 2.382 125.198 122.820 -0.006 0.000 2.507 90 A HA 0.285 3.946 4.320 -1.100 0.000 0.235 90 A C -0.021 177.569 177.584 0.011 0.000 1.070 90 A CA -0.242 51.800 52.037 0.007 0.000 0.768 90 A CB -0.050 18.955 19.000 0.009 0.000 1.011 90 A HN 0.751 nan 8.150 nan 0.000 0.502 91 L N 2.017 123.256 121.223 0.026 0.000 2.264 91 L HA 0.457 4.137 4.340 -1.100 0.000 0.287 91 L C -1.221 175.665 176.870 0.028 0.000 1.039 91 L CA -0.394 54.461 54.840 0.025 0.000 0.829 91 L CB 0.865 42.946 42.059 0.037 0.000 1.211 91 L HN 0.534 nan 8.230 nan 0.000 0.427 92 D N 6.116 126.524 120.400 0.013 0.000 2.249 92 D HA 0.395 4.375 4.640 -1.100 0.000 0.246 92 D C -0.206 176.098 176.300 0.006 0.000 1.114 92 D CA 0.415 54.423 54.000 0.013 0.000 0.854 92 D CB 1.657 42.459 40.800 0.003 0.000 1.132 92 D HN 0.462 nan 8.370 nan 0.000 0.461 93 I N 4.348 124.925 120.570 0.011 0.000 2.354 93 I HA 0.237 3.747 4.170 -1.100 0.000 0.292 93 I C -2.061 174.048 176.117 -0.013 0.000 0.989 93 I CA -2.060 59.236 61.300 -0.007 0.000 1.188 93 I CB 2.052 40.047 38.000 -0.007 0.000 1.342 93 I HN 0.065 nan 8.210 nan 0.000 0.457 94 P HA 0.052 nan 4.420 nan 0.000 0.274 94 P C -0.703 176.567 177.300 -0.050 0.000 1.237 94 P CA -0.338 62.750 63.100 -0.020 0.000 0.793 94 P CB 0.618 32.307 31.700 -0.017 0.000 0.977 95 D N -0.253 120.143 120.400 -0.007 0.000 2.571 95 D HA 0.264 4.245 4.640 -1.100 0.000 0.231 95 D C 0.587 176.707 176.300 -0.301 0.000 1.133 95 D CA 1.510 55.507 54.000 -0.006 0.000 0.862 95 D CB 0.137 41.067 40.800 0.216 0.000 1.179 95 D HN 0.604 nan 8.370 nan 0.000 0.474 96 G N 2.223 110.765 108.800 -0.430 0.000 2.489 96 G HA2 0.229 3.529 3.960 -1.100 0.000 0.305 96 G HA3 0.229 3.529 3.960 -1.100 0.000 0.305 96 G C -1.176 173.505 174.900 -0.366 0.000 1.311 96 G CA -0.744 43.774 45.100 -0.970 0.000 0.813 96 G HN 0.412 nan 8.290 nan 0.000 0.480 97 D N -0.088 120.164 120.400 -0.246 0.000 2.378 97 D HA 0.126 4.106 4.640 -1.100 0.000 0.238 97 D C 1.375 177.624 176.300 -0.086 0.000 1.180 97 D CA 0.033 54.003 54.000 -0.051 0.000 0.895 97 D CB 1.603 42.401 40.800 -0.003 0.000 1.192 97 D HN 0.594 nan 8.370 nan 0.000 0.438 98 E N 0.463 120.624 120.200 -0.066 0.000 2.051 98 E HA -0.181 3.509 4.350 -1.100 0.000 0.192 98 E C 1.803 178.388 176.600 -0.024 0.000 0.991 98 E CA 0.831 57.174 56.400 -0.095 0.000 0.799 98 E CB 0.066 29.724 29.700 -0.071 0.000 0.748 98 E HN 0.252 nan 8.360 nan 0.000 0.449 99 V N 1.332 121.266 119.914 0.033 0.000 2.392 99 V HA -0.232 3.228 4.120 -1.100 0.000 0.249 99 V C 1.424 177.619 176.094 0.168 0.000 1.059 99 V CA 2.521 64.913 62.300 0.153 0.000 1.051 99 V CB -0.363 31.528 31.823 0.113 0.000 0.658 99 V HN 0.302 nan 8.190 nan 0.000 0.455 100 D N -0.430 119.998 120.400 0.046 0.000 2.149 100 D HA -0.077 3.904 4.640 -1.100 0.000 0.201 100 D C 2.182 178.495 176.300 0.022 0.000 0.972 100 D CA 1.514 55.532 54.000 0.031 0.000 0.835 100 D CB -0.077 40.688 40.800 -0.059 0.000 0.966 100 D HN 0.451 nan 8.370 nan 0.000 0.476 101 V N 1.149 121.034 119.914 -0.049 0.000 2.307 101 V HA -0.233 3.227 4.120 -1.100 0.000 0.245 101 V C 2.484 178.520 176.094 -0.097 0.000 1.045 101 V CA 1.506 63.758 62.300 -0.079 0.000 1.024 101 V CB -0.472 31.286 31.823 -0.109 0.000 0.651 101 V HN 0.183 nan 8.190 nan 0.000 0.449 102 Q N -1.129 118.596 119.800 -0.124 0.000 2.096 102 Q HA -0.264 3.416 4.340 -1.100 0.000 0.204 102 Q C 2.172 177.973 176.000 -0.331 0.000 0.982 102 Q CA 2.098 57.744 55.803 -0.261 0.000 0.850 102 Q CB -0.308 28.361 28.738 -0.115 0.000 0.901 102 Q HN 0.831 nan 8.270 nan 0.000 0.422 103 W N 1.855 122.910 121.300 -0.407 0.000 2.358 103 W HA -0.183 3.817 4.660 -1.099 0.000 0.303 103 W C 1.944 178.241 176.519 -0.370 0.000 1.208 103 W CA 1.091 58.101 57.345 -0.559 0.000 1.274 103 W CB -0.102 29.141 29.460 -0.361 0.000 1.138 103 W HN 0.096 nan 8.180 nan 0.000 0.515 104 R N 0.642 121.022 120.500 -0.200 0.000 2.148 104 R HA -0.187 3.493 4.340 -1.100 0.000 0.227 104 R C 2.327 178.428 176.300 -0.332 0.000 1.103 104 R CA 1.344 57.301 56.100 -0.238 0.000 0.983 104 R CB -0.521 29.723 30.300 -0.093 0.000 0.874 104 R HN 0.280 nan 8.270 nan 0.000 0.451 105 L N 0.401 121.404 121.223 -0.367 0.000 2.034 105 L HA -0.096 3.584 4.340 -1.100 0.000 0.203 105 L C 2.059 178.492 176.870 -0.728 0.000 1.074 105 L CA 1.557 56.148 54.840 -0.416 0.000 0.748 105 L CB -0.261 41.598 42.059 -0.334 0.000 0.905 105 L HN 0.054 nan 8.230 nan 0.000 0.439 106 V N -3.606 115.713 119.914 -0.992 0.000 3.541 106 V HA -0.048 3.412 4.120 -1.100 0.000 0.267 106 V C 2.055 177.674 176.094 -0.791 0.000 1.213 106 V CA 1.246 62.742 62.300 -1.340 0.000 1.149 106 V CB -1.178 29.952 31.823 -1.156 0.000 0.822 106 V HN 0.656 nan 8.190 nan 0.000 0.462 107 H N 0.276 118.744 119.070 -1.004 0.000 2.549 107 H HA 0.216 4.112 4.556 -1.100 0.000 0.279 107 H C -0.024 174.984 175.328 -0.533 0.000 1.018 107 H CA -0.027 55.438 56.048 -0.972 0.000 1.175 107 H CB 0.500 29.116 29.762 -1.910 0.000 1.485 107 H HN 0.495 nan 8.280 nan 0.000 0.543 108 D N 0.759 120.899 120.400 -0.433 0.000 2.339 108 D HA -0.033 3.947 4.640 -1.100 0.000 0.241 108 D C 1.107 177.295 176.300 -0.186 0.000 1.183 108 D CA 0.113 53.944 54.000 -0.282 0.000 0.859 108 D CB 1.581 42.279 40.800 -0.168 0.000 1.067 108 D HN 0.149 nan 8.370 nan 0.000 0.484 109 S N 3.101 118.660 115.700 -0.235 0.000 2.368 109 S HA -0.166 3.644 4.470 -1.100 0.000 0.225 109 S C 1.828 176.388 174.600 -0.067 0.000 1.030 109 S CA 1.490 59.601 58.200 -0.147 0.000 0.999 109 S CB 0.018 63.120 63.200 -0.162 0.000 0.844 109 S HN 0.599 nan 8.310 nan 0.000 0.459 110 A N 1.536 124.318 122.820 -0.063 0.000 1.930 110 A HA 0.076 3.736 4.320 -1.100 0.000 0.215 110 A C 1.822 179.395 177.584 -0.018 0.000 1.176 110 A CA 1.199 53.214 52.037 -0.037 0.000 0.632 110 A CB -0.359 18.616 19.000 -0.042 0.000 0.819 110 A HN 0.629 nan 8.150 nan 0.000 0.445 111 N N -2.629 116.070 118.700 -0.003 0.000 2.254 111 N HA 0.176 4.256 4.740 -1.100 0.000 0.190 111 N C 0.523 176.096 175.510 0.105 0.000 1.107 111 N CA 0.579 53.648 53.050 0.032 0.000 0.869 111 N CB 0.453 38.958 38.487 0.030 0.000 0.983 111 N HN 0.557 nan 8.380 nan 0.000 0.487 112 F N -0.089 119.810 119.950 -0.085 0.000 2.157 112 F HA 0.358 4.225 4.527 -1.100 0.000 0.277 112 F C 1.578 177.332 175.800 -0.076 0.000 0.904 112 F CA -0.152 57.798 58.000 -0.082 0.000 1.121 112 F CB -0.014 38.903 39.000 -0.138 0.000 1.195 112 F HN -0.250 nan 8.300 nan 0.000 0.726 113 I N 0.836 121.465 120.570 0.098 0.000 2.193 113 I HA -0.188 3.322 4.170 -1.100 0.000 0.240 113 I C 2.169 178.243 176.117 -0.072 0.000 1.084 113 I CA 0.889 62.199 61.300 0.015 0.000 1.365 113 I CB -0.489 37.509 38.000 -0.003 0.000 1.064 113 I HN 0.039 nan 8.210 nan 0.000 0.410 114 K N 0.861 121.243 120.400 -0.030 0.000 2.009 114 K HA -0.131 3.529 4.320 -1.100 0.000 0.210 114 K C -0.124 176.536 176.600 0.100 0.000 1.049 114 K CA 1.761 58.078 56.287 0.050 0.000 0.929 114 K CB -1.745 30.810 32.500 0.092 0.000 0.714 114 K HN 0.208 nan 8.250 nan 0.000 0.440 115 P HA -0.142 nan 4.420 nan 0.000 0.213 115 P C 1.495 178.753 177.300 -0.070 0.000 1.170 115 P CA 2.321 65.413 63.100 -0.013 0.000 0.902 115 P CB -0.358 31.291 31.700 -0.086 0.000 0.789 116 T N -4.126 110.287 114.554 -0.234 0.000 2.915 116 T HA -0.039 3.651 4.350 -1.100 0.000 0.269 116 T C 1.954 176.562 174.700 -0.153 0.000 1.071 116 T CA 1.485 63.441 62.100 -0.240 0.000 1.132 116 T CB -1.201 67.389 68.868 -0.463 0.000 0.878 116 T HN -0.069 nan 8.240 nan 0.000 0.479 117 S N 0.465 116.071 115.700 -0.156 0.000 2.371 117 S HA 0.049 3.859 4.470 -1.100 0.000 0.224 117 S C 1.620 176.072 174.600 -0.247 0.000 1.029 117 S CA 0.702 58.791 58.200 -0.185 0.000 0.978 117 S CB -0.594 62.471 63.200 -0.225 0.000 0.833 117 S HN 0.579 nan 8.310 nan 0.000 0.466 118 Y N 1.611 121.792 120.300 -0.198 0.000 2.114 118 Y HA -0.179 3.711 4.550 -1.099 0.000 0.282 118 Y C 2.278 177.950 175.900 -0.380 0.000 1.165 118 Y CA 1.179 59.051 58.100 -0.381 0.000 1.148 118 Y CB -0.722 37.507 38.460 -0.385 0.000 0.972 118 Y HN 0.202 nan 8.280 nan 0.000 0.504 119 L N 0.218 121.448 121.223 0.011 0.000 1.989 119 L HA -0.221 3.459 4.340 -1.100 0.000 0.211 119 L C 2.405 179.317 176.870 0.070 0.000 1.071 119 L CA 2.193 57.099 54.840 0.111 0.000 0.749 119 L CB -1.266 40.829 42.059 0.059 0.000 0.890 119 L HN 0.147 nan 8.230 nan 0.000 0.431 120 A N -1.120 121.695 122.820 -0.008 0.000 1.917 120 A HA -0.359 3.301 4.320 -1.100 0.000 0.219 120 A C 2.326 179.999 177.584 0.148 0.000 1.182 120 A CA 2.153 54.184 52.037 -0.010 0.000 0.633 120 A CB -1.242 17.676 19.000 -0.138 0.000 0.819 120 A HN 0.825 nan 8.150 nan 0.000 0.448 121 H N -2.411 116.618 119.070 -0.069 0.000 2.395 121 H HA -0.103 3.793 4.556 -1.100 0.000 0.299 121 H C 1.641 177.021 175.328 0.087 0.000 1.070 121 H CA 1.804 57.814 56.048 -0.064 0.000 1.356 121 H CB -0.255 29.356 29.762 -0.252 0.000 1.401 121 H HN 0.490 nan 8.280 nan 0.000 0.524 122 Y N 0.326 120.655 120.300 0.048 0.000 2.373 122 Y HA -0.018 3.873 4.550 -1.099 0.000 0.293 122 Y C 2.133 178.080 175.900 0.078 0.000 1.129 122 Y CA 0.673 58.780 58.100 0.012 0.000 1.226 122 Y CB -0.347 38.188 38.460 0.124 0.000 1.000 122 Y HN 0.237 nan 8.280 nan 0.000 0.549 123 L N -1.135 120.183 121.223 0.158 0.000 2.610 123 L HA 0.092 3.772 4.340 -1.100 0.000 0.232 123 L C 1.682 178.556 176.870 0.006 0.000 1.149 123 L CA 0.943 55.772 54.840 -0.017 0.000 0.872 123 L CB -0.605 41.229 42.059 -0.375 0.000 0.992 123 L HN 0.441 nan 8.230 nan 0.000 0.447 124 G N -1.645 107.177 108.800 0.037 0.000 2.141 124 G HA2 -0.302 2.998 3.960 -1.100 0.000 0.231 124 G HA3 -0.302 2.998 3.960 -1.100 0.000 0.231 124 G C -0.001 174.798 174.900 -0.169 0.000 0.984 124 G CA -0.599 44.453 45.100 -0.080 0.000 0.660 124 G HN 0.214 nan 8.290 nan 0.000 0.525 125 Y N 1.267 121.512 120.300 -0.092 0.000 2.511 125 Y HA 0.417 4.307 4.550 -1.100 0.000 0.332 125 Y C 1.112 176.877 175.900 -0.225 0.000 1.177 125 Y CA 0.798 58.830 58.100 -0.113 0.000 1.422 125 Y CB 0.847 39.295 38.460 -0.020 0.000 1.271 125 Y HN 0.490 nan 8.280 nan 0.000 0.550 126 A N 3.372 125.988 122.820 -0.341 0.000 2.304 126 A HA 0.471 4.131 4.320 -1.100 0.000 0.301 126 A C -0.972 176.478 177.584 -0.224 0.000 1.132 126 A CA -0.644 51.024 52.037 -0.615 0.000 0.819 126 A CB -0.132 17.933 19.000 -1.558 0.000 1.094 126 A HN 1.021 nan 8.150 nan 0.000 0.492 127 W N 0.448 121.718 121.300 -0.050 0.000 5.655 127 W HA -0.109 3.891 4.660 -1.100 0.000 0.428 127 W C -0.320 176.198 176.519 -0.002 0.000 1.712 127 W CA -0.171 57.176 57.345 0.002 0.000 0.956 127 W CB -1.622 27.865 29.460 0.045 0.000 2.931 127 W HN 0.453 nan 8.180 nan 0.000 1.293 128 V N 2.045 122.058 119.914 0.165 0.000 2.169 128 V HA 0.762 4.222 4.120 -1.100 0.000 0.271 128 V C 0.939 177.039 176.094 0.009 0.000 1.372 128 V CA 0.321 62.657 62.300 0.059 0.000 1.348 128 V CB 0.251 32.053 31.823 -0.035 0.000 1.379 128 V HN 0.527 nan 8.190 nan 0.000 0.491 129 G N 0.720 109.563 108.800 0.072 0.000 2.489 129 G HA2 0.553 3.853 3.960 -1.100 0.000 0.291 129 G HA3 0.553 3.853 3.960 -1.100 0.000 0.291 129 G C -0.251 174.686 174.900 0.061 0.000 1.487 129 G CA -0.064 45.059 45.100 0.039 0.000 0.795 129 G HN 0.638 nan 8.290 nan 0.000 0.513 130 G N -0.831 108.006 108.800 0.062 0.000 2.653 130 G HA2 0.370 3.670 3.960 -1.100 0.000 0.265 130 G HA3 0.370 3.670 3.960 -1.100 0.000 0.265 130 G C 0.555 175.469 174.900 0.024 0.000 1.237 130 G CA -0.320 44.823 45.100 0.072 0.000 0.946 130 G HN 0.469 nan 8.290 nan 0.000 0.522 131 N N -1.087 117.588 118.700 -0.042 0.000 2.412 131 N HA -0.008 4.072 4.740 -1.100 0.000 0.184 131 N C 1.043 176.416 175.510 -0.229 0.000 1.101 131 N CA 0.398 53.341 53.050 -0.179 0.000 0.881 131 N CB 0.152 38.468 38.487 -0.286 0.000 0.969 131 N HN 0.558 nan 8.380 nan 0.000 0.459 132 H N -1.514 117.561 119.070 0.007 0.000 2.524 132 H HA 0.304 4.201 4.556 -1.100 0.000 0.280 132 H C 0.030 175.381 175.328 0.039 0.000 1.018 132 H CA -0.039 56.022 56.048 0.021 0.000 1.165 132 H CB 0.516 30.294 29.762 0.027 0.000 1.411 132 H HN -0.100 nan 8.280 nan 0.000 0.569 133 S N 0.272 116.045 115.700 0.122 0.000 2.588 133 S HA 0.143 3.954 4.470 -1.100 0.000 0.275 133 S C 0.072 174.688 174.600 0.026 0.000 1.130 133 S CA -0.878 57.395 58.200 0.121 0.000 0.855 133 S CB 1.321 64.627 63.200 0.178 0.000 1.116 133 S HN 0.483 nan 8.310 nan 0.000 0.472 134 Q N 1.534 121.281 119.800 -0.089 0.000 2.204 134 Q HA 0.253 3.933 4.340 -1.100 0.000 0.209 134 Q C -0.981 174.734 176.000 -0.475 0.000 0.861 134 Q CA -0.020 55.612 55.803 -0.284 0.000 0.971 134 Q CB -0.025 28.470 28.738 -0.406 0.000 1.095 134 Q HN 0.605 nan 8.270 nan 0.000 0.486 135 Y N -0.414 119.887 120.300 0.001 0.000 2.562 135 Y HA 0.434 4.324 4.550 -1.100 0.000 0.343 135 Y C 0.007 175.834 175.900 -0.122 0.000 1.025 135 Y CA -1.404 56.672 58.100 -0.039 0.000 1.082 135 Y CB 1.648 40.108 38.460 -0.000 0.000 1.264 135 Y HN -0.237 nan 8.280 nan 0.000 0.478 136 V N 1.594 121.440 119.914 -0.114 0.000 2.614 136 V HA 0.360 3.820 4.120 -1.100 0.000 0.291 136 V C 0.805 176.674 176.094 -0.375 0.000 1.049 136 V CA 0.771 62.820 62.300 -0.419 0.000 1.038 136 V CB 0.578 31.795 31.823 -1.011 0.000 0.980 136 V HN 1.057 nan 8.190 nan 0.000 0.481 137 G N 3.851 112.499 108.800 -0.254 0.000 2.153 137 G HA2 -0.221 3.079 3.960 -1.100 0.000 0.252 137 G HA3 -0.221 3.079 3.960 -1.100 0.000 0.252 137 G C 0.010 174.874 174.900 -0.061 0.000 0.994 137 G CA 0.428 45.430 45.100 -0.164 0.000 0.698 137 G HN 0.691 nan 8.290 nan 0.000 0.521 138 E N -0.541 119.653 120.200 -0.011 0.000 2.222 138 E HA 0.488 4.178 4.350 -1.100 0.000 0.267 138 E C 0.241 176.874 176.600 0.056 0.000 0.963 138 E CA -0.474 55.946 56.400 0.034 0.000 0.837 138 E CB 0.908 30.657 29.700 0.081 0.000 1.183 138 E HN 0.138 nan 8.360 nan 0.000 0.403 139 D N 1.207 121.647 120.400 0.066 0.000 2.746 139 D HA -0.200 3.780 4.640 -1.100 0.000 0.241 139 D C -1.471 174.885 176.300 0.093 0.000 1.140 139 D CA 0.722 54.780 54.000 0.097 0.000 0.707 139 D CB -0.588 40.314 40.800 0.169 0.000 1.034 139 D HN 0.216 nan 8.370 nan 0.000 0.423 140 M N 1.338 120.981 119.600 0.071 0.000 2.243 140 M HA 0.371 4.191 4.480 -1.100 0.000 0.324 140 M C -1.024 175.341 176.300 0.108 0.000 1.031 140 M CA -0.626 54.721 55.300 0.078 0.000 0.949 140 M CB 1.602 34.231 32.600 0.048 0.000 1.615 140 M HN -0.100 nan 8.290 nan 0.000 0.430 141 D N 2.926 123.402 120.400 0.128 0.000 2.264 141 D HA 0.364 4.344 4.640 -1.100 0.000 0.250 141 D C -0.834 175.584 176.300 0.197 0.000 1.113 141 D CA 0.019 54.117 54.000 0.163 0.000 0.871 141 D CB 1.295 42.182 40.800 0.146 0.000 1.167 141 D HN 0.275 nan 8.370 nan 0.000 0.447 142 V N 2.872 122.943 119.914 0.262 0.000 2.328 142 V HA 0.437 3.897 4.120 -1.100 0.000 0.278 142 V C 0.390 176.767 176.094 0.472 0.000 1.021 142 V CA -0.533 61.961 62.300 0.323 0.000 0.838 142 V CB 1.027 32.990 31.823 0.233 0.000 0.999 142 V HN 0.688 nan 8.190 nan 0.000 0.447 143 T N 2.372 117.203 114.554 0.460 0.000 2.893 143 T HA 0.563 4.253 4.350 -1.100 0.000 0.291 143 T C -0.224 174.684 174.700 0.348 0.000 1.028 143 T CA -0.988 61.358 62.100 0.410 0.000 0.995 143 T CB 1.893 70.893 68.868 0.219 0.000 1.051 143 T HN 0.376 nan 8.240 nan 0.000 0.470 144 R N 1.376 121.924 120.500 0.080 0.000 2.640 144 R HA 0.205 3.885 4.340 -1.100 0.000 0.270 144 R C -0.905 175.283 176.300 -0.187 0.000 1.024 144 R CA 0.220 56.096 56.100 -0.373 0.000 1.085 144 R CB 0.241 30.250 30.300 -0.485 0.000 0.963 144 R HN 0.790 nan 8.270 nan 0.000 0.426 145 D N 1.659 121.908 120.400 -0.251 0.000 2.330 145 D HA 0.256 4.236 4.640 -1.100 0.000 0.249 145 D C 0.807 177.026 176.300 -0.135 0.000 1.306 145 D CA 0.645 54.577 54.000 -0.114 0.000 0.956 145 D CB 0.711 41.504 40.800 -0.012 0.000 1.261 145 D HN 0.676 nan 8.370 nan 0.000 0.544 146 G N 4.133 112.857 108.800 -0.127 0.000 2.698 146 G HA2 -0.396 2.904 3.960 -1.100 0.000 0.337 146 G HA3 -0.396 2.904 3.960 -1.100 0.000 0.337 146 G C 0.847 175.663 174.900 -0.140 0.000 1.196 146 G CA 0.791 45.830 45.100 -0.102 0.000 0.965 146 G HN 0.538 nan 8.290 nan 0.000 0.550 147 D N 2.040 122.399 120.400 -0.068 0.000 2.369 147 D HA 0.428 4.408 4.640 -1.100 0.000 0.211 147 D C 1.149 177.449 176.300 -0.001 0.000 1.077 147 D CA 1.421 55.399 54.000 -0.036 0.000 0.842 147 D CB -0.136 40.698 40.800 0.057 0.000 0.947 147 D HN 0.681 nan 8.370 nan 0.000 0.509 148 G N -1.021 107.741 108.800 -0.064 0.000 3.247 148 G HA2 0.567 3.867 3.960 -1.100 0.000 0.226 148 G HA3 0.567 3.867 3.960 -1.100 0.000 0.226 148 G C -1.361 173.369 174.900 -0.283 0.000 1.220 148 G CA -0.670 44.497 45.100 0.112 0.000 0.875 148 G HN 0.120 nan 8.290 nan 0.000 0.606 149 W N -2.099 119.315 121.300 0.190 0.000 3.074 149 W HA 0.612 4.612 4.660 -1.100 0.000 0.332 149 W C -1.047 175.559 176.519 0.145 0.000 1.253 149 W CA -0.615 56.824 57.345 0.157 0.000 1.180 149 W CB 1.913 31.467 29.460 0.157 0.000 1.445 149 W HN 0.304 nan 8.180 nan 0.000 0.573 150 V N 2.804 122.958 119.914 0.401 0.000 2.656 150 V HA 0.562 4.023 4.120 -1.100 0.000 0.307 150 V C -0.620 175.638 176.094 0.273 0.000 1.051 150 V CA -0.997 61.467 62.300 0.273 0.000 0.893 150 V CB 1.749 33.685 31.823 0.189 0.000 0.999 150 V HN 0.397 nan 8.190 nan 0.000 0.426 151 I N 4.696 125.398 120.570 0.220 0.000 2.436 151 I HA 0.685 4.195 4.170 -1.100 0.000 0.289 151 I C -0.229 175.968 176.117 0.133 0.000 1.010 151 I CA -0.449 60.959 61.300 0.181 0.000 1.098 151 I CB 1.743 39.852 38.000 0.181 0.000 1.266 151 I HN 0.527 nan 8.210 nan 0.000 0.434 152 R N 3.620 124.193 120.500 0.121 0.000 2.561 152 R HA 0.438 4.118 4.340 -1.100 0.000 0.266 152 R C -0.422 175.934 176.300 0.094 0.000 1.091 152 R CA -0.694 55.467 56.100 0.102 0.000 0.927 152 R CB 2.043 32.407 30.300 0.108 0.000 1.240 152 R HN 0.796 nan 8.270 nan 0.000 0.449 153 G N 3.011 111.860 108.800 0.082 0.000 2.349 153 G HA2 -0.177 3.124 3.960 -1.100 0.000 0.232 153 G HA3 -0.177 3.124 3.960 -1.100 0.000 0.232 153 G C 0.040 174.983 174.900 0.073 0.000 1.240 153 G CA -0.168 44.976 45.100 0.074 0.000 0.870 153 G HN 0.680 nan 8.290 nan 0.000 0.528 154 N N 0.726 119.480 118.700 0.090 0.000 2.441 154 N HA -0.045 4.035 4.740 -1.100 0.000 0.251 154 N C 0.491 176.030 175.510 0.049 0.000 1.242 154 N CA 0.225 53.335 53.050 0.100 0.000 0.898 154 N CB 0.457 39.050 38.487 0.176 0.000 1.100 154 N HN 0.691 nan 8.380 nan 0.000 0.443 155 N N 1.144 119.867 118.700 0.039 0.000 2.194 155 N HA 0.036 4.116 4.740 -1.100 0.000 0.231 155 N C -1.003 174.499 175.510 -0.015 0.000 1.247 155 N CA -0.499 52.545 53.050 -0.009 0.000 0.884 155 N CB 0.395 38.881 38.487 -0.002 0.000 1.146 155 N HN 0.518 nan 8.380 nan 0.000 0.516 156 D N 0.784 121.196 120.400 0.020 0.000 2.419 156 D HA 0.152 4.132 4.640 -1.100 0.000 0.236 156 D C 1.302 177.582 176.300 -0.034 0.000 1.165 156 D CA 1.213 55.227 54.000 0.024 0.000 0.882 156 D CB 0.681 41.542 40.800 0.102 0.000 1.201 156 D HN 0.417 nan 8.370 nan 0.000 0.443 157 G N 0.258 109.045 108.800 -0.022 0.000 2.668 157 G HA2 0.031 3.332 3.960 -1.100 0.000 0.266 157 G HA3 0.031 3.332 3.960 -1.100 0.000 0.266 157 G C 0.438 175.297 174.900 -0.069 0.000 1.328 157 G CA -0.154 44.920 45.100 -0.044 0.000 0.911 157 G HN 0.749 nan 8.290 nan 0.000 0.567 158 G N -2.054 106.699 108.800 -0.077 0.000 2.887 158 G HA2 0.853 4.153 3.960 -1.100 0.000 0.277 158 G HA3 0.853 4.153 3.960 -1.100 0.000 0.277 158 G C 0.077 174.904 174.900 -0.120 0.000 1.346 158 G CA 0.523 45.569 45.100 -0.090 0.000 1.058 158 G HN 2.356 nan 8.290 nan 0.000 0.535 159 c N -1.713 116.810 118.600 -0.129 0.000 3.318 159 c HA 0.775 4.686 4.570 -1.100 0.000 0.322 159 c C -1.189 172.829 174.090 -0.121 0.000 1.398 159 c CA -1.105 55.130 56.329 -0.158 0.000 1.339 159 c CB 1.190 43.542 42.510 -0.263 0.000 1.668 159 c HN 0.615 nan 8.230 nan 0.000 0.462 160 D N -0.479 119.860 120.400 -0.102 0.000 2.487 160 D HA 0.801 4.781 4.640 -1.100 0.000 0.262 160 D C 0.406 176.708 176.300 0.003 0.000 1.130 160 D CA 1.195 55.180 54.000 -0.025 0.000 1.038 160 D CB 1.089 41.905 40.800 0.028 0.000 1.142 160 D HN 1.835 nan 8.370 nan 0.000 0.575 161 G N -0.808 108.104 108.800 0.187 0.000 2.712 161 G HA2 -0.123 3.177 3.960 -1.100 0.000 0.686 161 G HA3 -0.123 3.177 3.960 -1.100 0.000 0.686 161 G C -1.124 174.055 174.900 0.465 0.000 1.181 161 G CA -1.047 44.345 45.100 0.487 0.000 0.762 161 G HN 0.347 nan 8.290 nan 0.000 0.641 162 Y N 2.972 123.517 120.300 0.408 0.000 2.729 162 Y HA 0.292 4.182 4.550 -1.100 0.000 0.331 162 Y C 1.981 178.151 175.900 0.449 0.000 1.208 162 Y CA 1.369 59.646 58.100 0.294 0.000 1.521 162 Y CB 0.236 38.813 38.460 0.194 0.000 1.233 162 Y HN 0.826 nan 8.280 nan 0.000 0.539 163 R N 1.735 122.132 120.500 -0.171 0.000 3.627 163 R HA -0.291 3.389 4.340 -1.100 0.000 0.281 163 R C 1.344 177.781 176.300 0.227 0.000 1.140 163 R CA 0.783 56.856 56.100 -0.045 0.000 0.761 163 R CB -2.584 27.600 30.300 -0.194 0.000 1.181 163 R HN 0.875 nan 8.270 nan 0.000 0.472 164 c N -3.298 115.286 118.600 -0.026 0.000 2.422 164 c HA 0.046 3.956 4.570 -1.100 0.000 0.286 164 c C 2.430 176.081 174.090 -0.732 0.000 1.412 164 c CA 0.461 56.252 56.329 -0.895 0.000 1.786 164 c CB -1.000 40.958 42.510 -0.921 0.000 1.835 164 c HN 0.616 nan 8.230 nan 0.000 0.533 165 G N 0.163 108.786 108.800 -0.296 0.000 2.598 165 G HA2 0.031 3.331 3.960 -1.100 0.000 0.215 165 G HA3 0.031 3.331 3.960 -1.100 0.000 0.215 165 G C 0.060 174.929 174.900 -0.052 0.000 1.131 165 G CA 0.414 45.410 45.100 -0.174 0.000 0.785 165 G HN 0.584 nan 8.290 nan 0.000 0.539 166 D N 1.568 122.009 120.400 0.068 0.000 2.563 166 D HA 0.221 4.201 4.640 -1.100 0.000 0.222 166 D C 0.378 176.887 176.300 0.349 0.000 1.145 166 D CA 0.010 54.160 54.000 0.250 0.000 1.001 166 D CB 0.632 41.655 40.800 0.372 0.000 1.049 166 D HN 0.054 nan 8.370 nan 0.000 0.515 167 K N 0.510 121.030 120.400 0.200 0.000 2.168 167 K HA 0.248 3.908 4.320 -1.100 0.000 0.258 167 K C 0.623 177.365 176.600 0.237 0.000 1.010 167 K CA -0.307 56.117 56.287 0.229 0.000 0.929 167 K CB 0.703 33.278 32.500 0.126 0.000 0.998 167 K HN 0.077 nan 8.250 nan 0.000 0.479 168 T N 1.099 115.786 114.554 0.223 0.000 2.907 168 T HA 0.358 4.048 4.350 -1.100 0.000 0.298 168 T C -0.169 174.593 174.700 0.103 0.000 1.017 168 T CA -0.291 61.908 62.100 0.165 0.000 1.118 168 T CB 0.794 69.732 68.868 0.117 0.000 0.948 168 T HN 0.593 nan 8.240 nan 0.000 0.531 169 A N 3.142 126.012 122.820 0.083 0.000 2.355 169 A HA 0.797 4.458 4.320 -1.100 0.000 0.324 169 A C -0.625 176.981 177.584 0.037 0.000 1.117 169 A CA -0.749 51.333 52.037 0.075 0.000 0.785 169 A CB 0.734 19.793 19.000 0.099 0.000 1.254 169 A HN 0.832 nan 8.150 nan 0.000 0.453 170 I N 2.337 122.947 120.570 0.067 0.000 2.437 170 I HA 0.234 3.744 4.170 -1.100 0.000 0.279 170 I C -0.436 175.769 176.117 0.147 0.000 1.028 170 I CA -0.271 61.072 61.300 0.073 0.000 1.142 170 I CB 1.517 39.552 38.000 0.059 0.000 1.266 170 I HN 0.580 nan 8.210 nan 0.000 0.461 171 K N 5.801 126.286 120.400 0.141 0.000 2.183 171 K HA 0.610 4.270 4.320 -1.100 0.000 0.274 171 K C -0.835 175.888 176.600 0.205 0.000 1.009 171 K CA -0.755 55.635 56.287 0.172 0.000 0.888 171 K CB 2.444 35.019 32.500 0.126 0.000 1.078 171 K HN 0.230 nan 8.250 nan 0.000 0.459 172 V N 2.631 122.707 119.914 0.268 0.000 2.357 172 V HA 0.285 3.746 4.120 -1.100 0.000 0.284 172 V C -0.121 176.116 176.094 0.239 0.000 1.018 172 V CA -0.471 61.984 62.300 0.258 0.000 0.841 172 V CB 0.740 32.741 31.823 0.296 0.000 0.991 172 V HN 1.013 nan 8.190 nan 0.000 0.437 173 S N 2.909 118.675 115.700 0.110 0.000 2.720 173 S HA 0.652 4.463 4.470 -1.100 0.000 0.287 173 S C 0.010 174.627 174.600 0.028 0.000 1.168 173 S CA -0.474 57.805 58.200 0.131 0.000 0.832 173 S CB 1.482 64.746 63.200 0.107 0.000 1.166 173 S HN 0.920 nan 8.310 nan 0.000 0.493 174 N N -0.582 118.179 118.700 0.102 0.000 2.740 174 N HA -0.161 3.919 4.740 -1.100 0.000 0.248 174 N C -1.160 174.360 175.510 0.016 0.000 1.062 174 N CA 0.319 53.403 53.050 0.057 0.000 0.704 174 N CB -2.059 36.433 38.487 0.009 0.000 0.968 174 N HN 0.571 nan 8.380 nan 0.000 0.547 175 F N 0.329 120.286 119.950 0.012 0.000 2.563 175 F HA 0.369 4.237 4.527 -1.100 0.000 0.363 175 F C 1.417 176.988 175.800 -0.381 0.000 1.123 175 F CA 1.034 58.942 58.000 -0.152 0.000 1.307 175 F CB 0.623 39.534 39.000 -0.148 0.000 1.115 175 F HN 0.269 nan 8.300 nan 0.000 0.592 176 A N 3.448 126.054 122.820 -0.357 0.000 2.454 176 A HA 0.824 4.484 4.320 -1.100 0.000 0.302 176 A C -2.054 175.233 177.584 -0.496 0.000 1.079 176 A CA -0.619 51.214 52.037 -0.339 0.000 0.731 176 A CB 1.066 20.013 19.000 -0.088 0.000 1.299 176 A HN 0.611 nan 8.150 nan 0.000 0.413 177 Y N 1.039 121.430 120.300 0.152 0.000 2.331 177 Y HA 0.442 4.332 4.550 -1.100 0.000 0.326 177 Y C -0.011 175.936 175.900 0.079 0.000 1.020 177 Y CA -1.028 57.145 58.100 0.122 0.000 1.136 177 Y CB 1.761 40.291 38.460 0.116 0.000 1.157 177 Y HN 0.683 nan 8.280 nan 0.000 0.444 178 N N 4.499 123.302 118.700 0.170 0.000 2.469 178 N HA 0.242 4.322 4.740 -1.100 0.000 0.253 178 N C -1.264 174.277 175.510 0.053 0.000 0.970 178 N CA -0.422 52.691 53.050 0.104 0.000 0.940 178 N CB 1.205 39.736 38.487 0.073 0.000 1.128 178 N HN 0.863 nan 8.380 nan 0.000 0.503 179 L N 2.977 124.203 121.223 0.005 0.000 2.410 179 L HA 0.149 3.829 4.340 -1.100 0.000 0.273 179 L C -0.068 176.743 176.870 -0.098 0.000 1.152 179 L CA -0.099 54.674 54.840 -0.112 0.000 0.855 179 L CB 0.465 42.338 42.059 -0.310 0.000 1.129 179 L HN 0.506 nan 8.230 nan 0.000 0.463 180 D N 6.901 127.260 120.400 -0.069 0.000 2.412 180 D HA 0.280 4.260 4.640 -1.100 0.000 0.224 180 D C -1.824 174.422 176.300 -0.090 0.000 1.093 180 D CA -2.411 51.545 54.000 -0.073 0.000 0.850 180 D CB 1.574 42.355 40.800 -0.031 0.000 1.046 180 D HN 0.260 nan 8.370 nan 0.000 0.507 181 P HA -0.110 nan 4.420 nan 0.000 0.216 181 P C 0.621 177.790 177.300 -0.218 0.000 1.150 181 P CA 0.830 63.605 63.100 -0.541 0.000 0.837 181 P CB 0.422 31.449 31.700 -1.122 0.000 0.786 182 D N -0.415 119.883 120.400 -0.170 0.000 2.350 182 D HA -0.073 3.907 4.640 -1.100 0.000 0.216 182 D C 1.732 177.986 176.300 -0.076 0.000 0.968 182 D CA 1.147 55.081 54.000 -0.110 0.000 0.894 182 D CB -0.234 40.510 40.800 -0.093 0.000 0.909 182 D HN 0.301 nan 8.370 nan 0.000 0.520 183 S N -0.145 115.522 115.700 -0.056 0.000 2.593 183 S HA -0.030 3.781 4.470 -1.100 0.000 0.217 183 S C 0.642 175.143 174.600 -0.166 0.000 0.966 183 S CA -0.696 57.462 58.200 -0.070 0.000 0.914 183 S CB -0.556 62.632 63.200 -0.019 0.000 0.776 183 S HN 0.082 nan 8.310 nan 0.000 0.523 184 F N 3.197 122.882 119.950 -0.443 0.000 2.642 184 F HA 0.299 4.166 4.527 -1.100 0.000 0.371 184 F C 0.273 175.795 175.800 -0.463 0.000 1.120 184 F CA 0.318 57.829 58.000 -0.815 0.000 1.331 184 F CB 0.221 38.713 39.000 -0.847 0.000 1.044 184 F HN 0.136 nan 8.300 nan 0.000 0.594 185 K N 3.620 123.179 120.400 -1.401 0.000 2.578 185 K HA 0.308 3.968 4.320 -1.100 0.000 0.269 185 K C -1.839 174.218 176.600 -0.905 0.000 0.941 185 K CA -0.999 54.704 56.287 -0.974 0.000 0.847 185 K CB 2.176 34.397 32.500 -0.464 0.000 1.397 185 K HN 0.863 nan 8.250 nan 0.000 0.422 186 H N -1.452 117.156 119.070 -0.771 0.000 2.894 186 H HA 0.600 4.496 4.556 -1.100 0.000 0.367 186 H C -0.039 175.146 175.328 -0.239 0.000 1.144 186 H CA -1.249 54.517 56.048 -0.470 0.000 1.180 186 H CB 1.670 30.996 29.762 -0.727 0.000 1.758 186 H HN 0.634 nan 8.280 nan 0.000 0.541 187 G N 0.933 109.652 108.800 -0.135 0.000 2.514 187 G HA2 0.128 3.428 3.960 -1.100 0.000 0.245 187 G HA3 0.128 3.428 3.960 -1.100 0.000 0.245 187 G C -0.592 174.216 174.900 -0.153 0.000 1.488 187 G CA -0.305 44.711 45.100 -0.141 0.000 1.063 187 G HN 0.906 nan 8.290 nan 0.000 0.557 188 D N -0.366 120.017 120.400 -0.028 0.000 2.382 188 D HA 0.185 4.165 4.640 -1.100 0.000 0.245 188 D C 0.826 177.215 176.300 0.148 0.000 1.120 188 D CA -0.590 53.417 54.000 0.012 0.000 0.890 188 D CB 1.301 42.115 40.800 0.023 0.000 1.201 188 D HN 0.493 nan 8.370 nan 0.000 0.433 189 V N 1.171 121.195 119.914 0.182 0.000 2.416 189 V HA 0.002 3.462 4.120 -1.100 0.000 0.267 189 V C 1.066 177.293 176.094 0.222 0.000 1.007 189 V CA 0.069 62.549 62.300 0.299 0.000 1.102 189 V CB -0.546 31.453 31.823 0.294 0.000 1.035 189 V HN 0.598 nan 8.190 nan 0.000 0.473 190 T N 3.672 118.367 114.554 0.235 0.000 2.759 190 T HA -0.125 3.565 4.350 -1.100 0.000 0.269 190 T C 0.787 175.566 174.700 0.132 0.000 1.042 190 T CA 2.182 64.376 62.100 0.157 0.000 1.140 190 T CB -0.148 68.805 68.868 0.141 0.000 0.864 190 T HN 0.918 nan 8.240 nan 0.000 0.455 191 Q N -0.133 119.761 119.800 0.155 0.000 2.320 191 Q HA 0.498 4.178 4.340 -1.100 0.000 0.272 191 Q C -2.014 174.075 176.000 0.149 0.000 1.023 191 Q CA -0.397 55.481 55.803 0.124 0.000 0.855 191 Q CB 2.202 30.993 28.738 0.088 0.000 1.367 191 Q HN 0.144 nan 8.270 nan 0.000 0.406 192 S N 3.086 118.863 115.700 0.128 0.000 2.535 192 S HA 0.657 4.467 4.470 -1.100 0.000 0.272 192 S C -2.438 172.228 174.600 0.111 0.000 1.149 192 S CA -0.353 57.929 58.200 0.138 0.000 0.888 192 S CB 1.310 64.605 63.200 0.158 0.000 1.110 192 S HN 0.753 nan 8.310 nan 0.000 0.463 193 D N 1.910 122.379 120.400 0.114 0.000 2.575 193 D HA 0.100 4.080 4.640 -1.100 0.000 0.214 193 D C -1.113 175.257 176.300 0.117 0.000 1.100 193 D CA -0.680 53.381 54.000 0.101 0.000 0.790 193 D CB 0.767 41.618 40.800 0.086 0.000 2.767 193 D HN 0.552 nan 8.370 nan 0.000 0.474 194 R N 1.607 122.176 120.500 0.115 0.000 2.288 194 R HA 0.322 4.002 4.340 -1.100 0.000 0.326 194 R C -0.946 175.454 176.300 0.167 0.000 0.959 194 R CA -0.479 55.701 56.100 0.133 0.000 0.834 194 R CB 1.535 31.883 30.300 0.080 0.000 1.157 194 R HN 0.550 nan 8.270 nan 0.000 0.470 195 Q N 5.167 125.083 119.800 0.193 0.000 2.333 195 Q HA 0.210 3.891 4.340 -1.100 0.000 0.265 195 Q C -1.237 174.875 176.000 0.187 0.000 0.989 195 Q CA -0.972 54.933 55.803 0.170 0.000 0.842 195 Q CB 1.491 30.285 28.738 0.092 0.000 1.262 195 Q HN 0.599 nan 8.270 nan 0.000 0.451 196 L N 5.629 126.927 121.223 0.125 0.000 2.530 196 L HA 0.055 3.735 4.340 -1.100 0.000 0.273 196 L C -0.185 176.599 176.870 -0.143 0.000 1.141 196 L CA 0.683 55.438 54.840 -0.141 0.000 0.905 196 L CB 0.854 42.854 42.059 -0.099 0.000 1.202 196 L HN 0.769 nan 8.230 nan 0.000 0.473 197 V N 4.276 124.067 119.914 -0.207 0.000 2.403 197 V HA 0.159 3.619 4.120 -1.100 0.000 0.239 197 V C 0.997 176.996 176.094 -0.160 0.000 1.041 197 V CA 0.737 62.968 62.300 -0.115 0.000 1.051 197 V CB -0.196 31.613 31.823 -0.023 0.000 0.704 197 V HN 0.751 nan 8.190 nan 0.000 0.472 198 K N -0.377 119.864 120.400 -0.265 0.000 2.435 198 K HA 0.475 4.135 4.320 -1.100 0.000 0.251 198 K C -1.344 175.075 176.600 -0.301 0.000 0.954 198 K CA -0.371 55.763 56.287 -0.256 0.000 0.820 198 K CB 2.379 34.719 32.500 -0.266 0.000 1.292 198 K HN 0.186 nan 8.250 nan 0.000 0.436 199 T N 1.703 116.122 114.554 -0.225 0.000 2.779 199 T HA 0.313 4.003 4.350 -1.100 0.000 0.280 199 T C -0.752 173.837 174.700 -0.184 0.000 0.987 199 T CA -0.558 61.414 62.100 -0.214 0.000 0.966 199 T CB 1.342 70.108 68.868 -0.169 0.000 0.933 199 T HN 0.201 nan 8.240 nan 0.000 0.442 200 V N 4.831 124.634 119.914 -0.185 0.000 2.383 200 V HA 0.547 4.007 4.120 -1.100 0.000 0.275 200 V C 0.012 176.023 176.094 -0.139 0.000 1.036 200 V CA -0.550 61.661 62.300 -0.149 0.000 0.889 200 V CB 1.037 32.775 31.823 -0.142 0.000 0.985 200 V HN 0.762 nan 8.190 nan 0.000 0.459 201 V N 2.633 122.465 119.914 -0.137 0.000 2.876 201 V HA 1.108 4.568 4.120 -1.100 0.000 0.312 201 V C 0.334 176.306 176.094 -0.204 0.000 1.085 201 V CA 0.103 62.295 62.300 -0.180 0.000 0.945 201 V CB 1.249 32.959 31.823 -0.189 0.000 1.017 201 V HN 1.056 nan 8.190 nan 0.000 0.428 202 G N 1.059 109.663 108.800 -0.327 0.000 2.485 202 G HA2 0.462 3.762 3.960 -1.100 0.000 0.182 202 G HA3 0.462 3.762 3.960 -1.100 0.000 0.182 202 G C -2.591 171.918 174.900 -0.652 0.000 1.172 202 G CA -0.525 44.343 45.100 -0.386 0.000 0.996 202 G HN 0.688 nan 8.290 nan 0.000 0.496 203 W N 0.172 121.469 121.300 -0.004 0.000 3.032 203 W HA 0.738 4.738 4.660 -1.100 0.000 0.335 203 W C -0.074 176.446 176.519 0.001 0.000 1.154 203 W CA -0.482 56.862 57.345 -0.002 0.000 1.204 203 W CB 2.557 32.015 29.460 -0.003 0.000 1.416 203 W HN 0.806 nan 8.180 nan 0.000 0.521 204 A N 2.505 125.482 122.820 0.261 0.000 2.287 204 A HA 0.774 4.434 4.320 -1.100 0.000 0.317 204 A C -0.564 177.114 177.584 0.155 0.000 1.220 204 A CA -0.698 51.437 52.037 0.162 0.000 0.835 204 A CB 0.436 19.500 19.000 0.107 0.000 1.180 204 A HN 0.855 nan 8.150 nan 0.000 0.500 205 V N 0.636 120.609 119.914 0.098 0.000 2.834 205 V HA 0.737 4.197 4.120 -1.100 0.000 0.313 205 V C -0.290 175.811 176.094 0.013 0.000 1.060 205 V CA -0.992 61.334 62.300 0.044 0.000 0.989 205 V CB 1.830 33.654 31.823 0.002 0.000 1.041 205 V HN 0.808 nan 8.190 nan 0.000 0.459 206 N N 1.574 120.268 118.700 -0.009 0.000 2.524 206 N HA 0.302 4.383 4.740 -1.100 0.000 0.261 206 N C 0.108 175.597 175.510 -0.035 0.000 0.998 206 N CA -0.280 52.751 53.050 -0.032 0.000 0.915 206 N CB 1.463 39.927 38.487 -0.037 0.000 1.187 206 N HN 0.840 nan 8.380 nan 0.000 0.507 207 D N 0.996 121.375 120.400 -0.035 0.000 2.363 207 D HA -0.034 3.946 4.640 -1.100 0.000 0.226 207 D C -0.063 176.217 176.300 -0.034 0.000 1.020 207 D CA 0.402 54.382 54.000 -0.034 0.000 0.892 207 D CB 0.437 41.220 40.800 -0.027 0.000 0.900 207 D HN 0.612 nan 8.370 nan 0.000 0.531 208 S N -0.762 114.914 115.700 -0.039 0.000 2.718 208 S HA 0.256 4.066 4.470 -1.100 0.000 0.300 208 S C 0.730 175.311 174.600 -0.033 0.000 1.117 208 S CA -0.728 57.450 58.200 -0.036 0.000 1.002 208 S CB 1.888 65.062 63.200 -0.042 0.000 1.092 208 S HN -0.235 nan 8.310 nan 0.000 0.542 209 D N 1.090 121.473 120.400 -0.028 0.000 2.183 209 D HA 0.071 4.051 4.640 -1.100 0.000 0.203 209 D C 0.365 176.650 176.300 -0.024 0.000 0.969 209 D CA 1.034 55.020 54.000 -0.023 0.000 0.842 209 D CB -0.762 40.027 40.800 -0.018 0.000 0.957 209 D HN 0.632 nan 8.370 nan 0.000 0.484 210 T N 2.415 116.951 114.554 -0.030 0.000 2.870 210 T HA 0.230 3.920 4.350 -1.100 0.000 0.300 210 T C -2.433 172.243 174.700 -0.040 0.000 0.989 210 T CA -1.114 60.967 62.100 -0.033 0.000 1.139 210 T CB 1.369 70.215 68.868 -0.038 0.000 0.920 210 T HN -0.115 nan 8.240 nan 0.000 0.537 211 P HA 0.166 nan 4.420 nan 0.000 0.260 211 P C -0.050 177.224 177.300 -0.045 0.000 1.651 211 P CA -0.437 62.644 63.100 -0.031 0.000 1.139 211 P CB 0.146 31.836 31.700 -0.016 0.000 1.756 212 Q N 1.565 121.319 119.800 -0.076 0.000 2.283 212 Q HA 0.050 3.731 4.340 -1.100 0.000 0.301 212 Q C 0.534 176.485 176.000 -0.082 0.000 1.063 212 Q CA 1.182 56.907 55.803 -0.131 0.000 0.952 212 Q CB 0.014 28.626 28.738 -0.209 0.000 1.166 212 Q HN 0.195 nan 8.270 nan 0.000 0.381 213 S N 1.257 116.919 115.700 -0.063 0.000 2.967 213 S HA 0.266 4.076 4.470 -1.100 0.000 0.236 213 S C 0.420 175.072 174.600 0.086 0.000 0.804 213 S CA 0.225 58.433 58.200 0.014 0.000 1.223 213 S CB 0.219 63.428 63.200 0.015 0.000 1.268 213 S HN 0.678 nan 8.310 nan 0.000 0.573 214 G N 0.202 109.109 108.800 0.178 0.000 3.159 214 G HA2 0.273 3.573 3.960 -1.100 0.000 0.232 214 G HA3 0.273 3.573 3.960 -1.100 0.000 0.232 214 G C -0.263 174.898 174.900 0.435 0.000 1.116 214 G CA 0.197 45.479 45.100 0.304 0.000 0.767 214 G HN 0.363 nan 8.290 nan 0.000 0.547 215 Y N 1.382 121.692 120.300 0.017 0.000 2.342 215 Y HA 0.418 4.309 4.550 -1.100 0.000 0.334 215 Y C -0.038 175.874 175.900 0.018 0.000 1.067 215 Y CA -2.217 55.894 58.100 0.017 0.000 1.128 215 Y CB 1.157 39.628 38.460 0.019 0.000 1.200 215 Y HN -0.044 nan 8.280 nan 0.000 0.464 216 D N 1.775 122.227 120.400 0.087 0.000 2.255 216 D HA 0.375 4.355 4.640 -1.100 0.000 0.249 216 D C -0.818 175.526 176.300 0.074 0.000 1.078 216 D CA -0.061 53.976 54.000 0.061 0.000 0.896 216 D CB 2.277 43.085 40.800 0.014 0.000 1.194 216 D HN 0.165 nan 8.370 nan 0.000 0.429 217 V N 1.831 121.786 119.914 0.069 0.000 2.495 217 V HA 0.425 3.885 4.120 -1.100 0.000 0.298 217 V C 0.187 176.306 176.094 0.042 0.000 1.031 217 V CA -0.302 62.035 62.300 0.061 0.000 0.871 217 V CB 2.110 33.971 31.823 0.063 0.000 0.988 217 V HN 0.524 nan 8.190 nan 0.000 0.432 218 T N 5.150 119.725 114.554 0.035 0.000 2.991 218 T HA 0.458 4.148 4.350 -1.100 0.000 0.303 218 T C -0.931 173.787 174.700 0.030 0.000 1.015 218 T CA -0.332 61.786 62.100 0.030 0.000 1.007 218 T CB 1.443 70.325 68.868 0.024 0.000 1.034 218 T HN 0.482 nan 8.240 nan 0.000 0.446 219 L N 4.712 125.955 121.223 0.033 0.000 2.371 219 L HA 0.664 4.345 4.340 -1.100 0.000 0.272 219 L C -0.092 176.804 176.870 0.043 0.000 1.124 219 L CA 0.246 55.106 54.840 0.034 0.000 0.816 219 L CB 0.266 42.348 42.059 0.037 0.000 1.129 219 L HN 0.502 nan 8.230 nan 0.000 0.448 220 R N 3.133 123.659 120.500 0.044 0.000 2.905 220 R HA 0.935 4.615 4.340 -1.100 0.000 0.260 220 R C -0.488 175.851 176.300 0.065 0.000 1.086 220 R CA -0.568 55.562 56.100 0.050 0.000 0.978 220 R CB 1.319 31.642 30.300 0.039 0.000 1.215 220 R HN 0.926 nan 8.270 nan 0.000 0.480 221 G N 0.311 109.152 108.800 0.069 0.000 2.361 221 G HA2 0.194 3.494 3.960 -1.100 0.000 0.331 221 G HA3 0.194 3.494 3.960 -1.100 0.000 0.331 221 G C -2.096 172.854 174.900 0.084 0.000 1.324 221 G CA -0.491 44.659 45.100 0.083 0.000 0.984 221 G HN 0.725 nan 8.290 nan 0.000 0.586 222 D N -1.905 118.541 120.400 0.076 0.000 2.570 222 D HA 0.834 4.814 4.640 -1.100 0.000 0.244 222 D C 0.274 176.576 176.300 0.004 0.000 1.178 222 D CA 0.163 54.193 54.000 0.050 0.000 0.881 222 D CB 1.957 42.774 40.800 0.028 0.000 1.453 222 D HN 1.006 nan 8.370 nan 0.000 0.447 223 T N -2.892 111.642 114.554 -0.034 0.000 2.618 223 T HA 0.838 4.528 4.350 -1.100 0.000 0.286 223 T C -1.056 173.599 174.700 -0.076 0.000 1.027 223 T CA -0.878 61.137 62.100 -0.140 0.000 1.063 223 T CB 0.799 69.503 68.868 -0.273 0.000 1.440 223 T HN 0.980 nan 8.240 nan 0.000 0.505 224 A N 0.303 123.065 122.820 -0.096 0.000 2.374 224 A HA 0.762 4.422 4.320 -1.100 0.000 0.317 224 A C -0.306 177.273 177.584 -0.009 0.000 1.094 224 A CA -0.778 51.232 52.037 -0.045 0.000 0.765 224 A CB 1.395 20.357 19.000 -0.063 0.000 1.268 224 A HN 0.825 nan 8.150 nan 0.000 0.438 225 T N 2.253 116.827 114.554 0.032 0.000 2.771 225 T HA 0.457 4.147 4.350 -1.100 0.000 0.281 225 T C -0.474 174.274 174.700 0.080 0.000 0.982 225 T CA -0.255 61.884 62.100 0.065 0.000 0.978 225 T CB 0.489 69.409 68.868 0.086 0.000 0.930 225 T HN 0.662 nan 8.240 nan 0.000 0.447 226 N N 3.285 122.011 118.700 0.044 0.000 2.407 226 N HA 0.618 4.698 4.740 -1.100 0.000 0.277 226 N C -0.839 174.674 175.510 0.006 0.000 0.995 226 N CA -0.989 52.057 53.050 -0.007 0.000 0.903 226 N CB 1.737 40.180 38.487 -0.074 0.000 1.218 226 N HN 0.645 nan 8.380 nan 0.000 0.487 227 W N 0.680 121.830 121.300 -0.251 0.000 3.032 227 W HA 0.785 4.786 4.660 -1.099 0.000 0.341 227 W C -1.161 175.125 176.519 -0.387 0.000 1.202 227 W CA -1.123 55.982 57.345 -0.401 0.000 1.132 227 W CB 0.662 29.827 29.460 -0.492 0.000 1.465 227 W HN 0.521 nan 8.180 nan 0.000 0.576 228 S N 0.788 116.237 115.700 -0.417 0.000 2.570 228 S HA 0.735 4.545 4.470 -1.100 0.000 0.270 228 S C -1.241 173.217 174.600 -0.237 0.000 1.149 228 S CA -1.037 56.853 58.200 -0.516 0.000 0.837 228 S CB 2.631 65.607 63.200 -0.372 0.000 1.124 228 S HN 0.761 nan 8.310 nan 0.000 0.465 229 K N -0.309 120.008 120.400 -0.139 0.000 2.512 229 K HA 0.763 4.423 4.320 -1.100 0.000 0.263 229 K C -0.725 175.929 176.600 0.089 0.000 0.966 229 K CA -0.808 55.535 56.287 0.093 0.000 0.851 229 K CB 1.639 34.289 32.500 0.250 0.000 1.395 229 K HN 0.757 nan 8.250 nan 0.000 0.440 230 T N -0.909 113.781 114.554 0.226 0.000 2.936 230 T HA 0.429 4.119 4.350 -1.100 0.000 0.282 230 T C -0.480 174.424 174.700 0.339 0.000 1.003 230 T CA -0.985 61.231 62.100 0.194 0.000 1.005 230 T CB 0.549 69.501 68.868 0.139 0.000 1.097 230 T HN 0.677 nan 8.240 nan 0.000 0.532 231 N N -0.297 118.543 118.700 0.233 0.000 2.399 231 N HA 0.370 4.450 4.740 -1.100 0.000 0.284 231 N C 0.388 175.965 175.510 0.112 0.000 1.025 231 N CA -0.687 52.533 53.050 0.284 0.000 0.885 231 N CB 1.782 40.455 38.487 0.310 0.000 1.339 231 N HN 0.577 nan 8.380 nan 0.000 0.487 232 T N 0.600 115.173 114.554 0.032 0.000 2.867 232 T HA -0.047 3.643 4.350 -1.100 0.000 0.268 232 T C -0.210 174.223 174.700 -0.445 0.000 1.057 232 T CA 1.613 63.562 62.100 -0.253 0.000 1.136 232 T CB -0.111 68.541 68.868 -0.360 0.000 0.874 232 T HN 0.400 nan 8.240 nan 0.000 0.466 233 Y N -1.432 118.917 120.300 0.082 0.000 2.698 233 Y HA 0.594 4.484 4.550 -1.100 0.000 0.332 233 Y C 1.418 177.356 175.900 0.063 0.000 1.119 233 Y CA -1.313 56.820 58.100 0.055 0.000 1.109 233 Y CB 0.683 39.162 38.460 0.031 0.000 1.308 233 Y HN -0.111 nan 8.280 nan 0.000 0.499 234 G N -0.071 108.869 108.800 0.233 0.000 2.650 234 G HA2 -0.122 3.178 3.960 -1.100 0.000 0.214 234 G HA3 -0.122 3.178 3.960 -1.100 0.000 0.214 234 G C 1.308 176.257 174.900 0.082 0.000 1.136 234 G CA 0.407 45.586 45.100 0.131 0.000 0.789 234 G HN 0.507 nan 8.290 nan 0.000 0.536 235 L N 2.199 123.449 121.223 0.044 0.000 2.191 235 L HA -0.067 3.613 4.340 -1.100 0.000 0.212 235 L C 2.942 179.794 176.870 -0.030 0.000 1.103 235 L CA 2.172 56.951 54.840 -0.101 0.000 0.769 235 L CB -0.548 41.385 42.059 -0.210 0.000 0.908 235 L HN 0.290 nan 8.230 nan 0.000 0.438 236 S N -1.362 114.409 115.700 0.118 0.000 2.420 236 S HA -0.262 3.549 4.470 -1.100 0.000 0.237 236 S C 1.742 176.484 174.600 0.238 0.000 1.023 236 S CA 1.363 59.715 58.200 0.254 0.000 0.991 236 S CB -0.764 62.697 63.200 0.434 0.000 0.792 236 S HN 0.660 nan 8.310 nan 0.000 0.488 237 E N 0.750 121.043 120.200 0.155 0.000 2.333 237 E HA -0.024 3.667 4.350 -1.100 0.000 0.198 237 E C 1.527 178.215 176.600 0.146 0.000 1.007 237 E CA 0.933 57.416 56.400 0.137 0.000 0.845 237 E CB 0.026 29.785 29.700 0.097 0.000 0.766 237 E HN 0.399 nan 8.360 nan 0.000 0.507 238 K N -0.676 119.807 120.400 0.138 0.000 2.438 238 K HA 0.163 3.823 4.320 -1.100 0.000 0.206 238 K C -0.792 175.973 176.600 0.274 0.000 1.081 238 K CA -0.035 56.370 56.287 0.198 0.000 1.053 238 K CB 1.421 34.054 32.500 0.222 0.000 0.908 238 K HN -0.156 nan 8.250 nan 0.000 0.556 239 V N 1.979 122.023 119.914 0.216 0.000 2.546 239 V HA 0.338 3.798 4.120 -1.100 0.000 0.284 239 V C 0.335 176.584 176.094 0.259 0.000 1.050 239 V CA -0.264 62.171 62.300 0.226 0.000 0.981 239 V CB 1.259 33.144 31.823 0.103 0.000 0.990 239 V HN 0.411 nan 8.190 nan 0.000 0.474 240 T N 0.770 115.460 114.554 0.228 0.000 2.831 240 T HA 0.629 4.319 4.350 -1.100 0.000 0.287 240 T C -0.449 174.368 174.700 0.194 0.000 1.070 240 T CA -0.724 61.512 62.100 0.226 0.000 1.010 240 T CB 2.067 71.046 68.868 0.185 0.000 1.264 240 T HN 0.576 nan 8.240 nan 0.000 0.532 241 T N -0.447 114.236 114.554 0.215 0.000 2.876 241 T HA 0.433 4.123 4.350 -1.100 0.000 0.289 241 T C 0.751 175.552 174.700 0.167 0.000 1.014 241 T CA -0.731 61.490 62.100 0.201 0.000 0.986 241 T CB 1.763 70.838 68.868 0.347 0.000 1.021 241 T HN 0.789 nan 8.240 nan 0.000 0.458 242 K N 2.540 123.016 120.400 0.127 0.000 2.062 242 K HA 0.076 3.736 4.320 -1.100 0.000 0.205 242 K C 0.237 176.900 176.600 0.105 0.000 1.051 242 K CA 0.933 57.280 56.287 0.100 0.000 0.941 242 K CB 0.161 32.704 32.500 0.072 0.000 0.719 242 K HN 0.496 nan 8.250 nan 0.000 0.440 243 N N 1.157 119.935 118.700 0.130 0.000 2.240 243 N HA 0.084 4.165 4.740 -1.100 0.000 0.302 243 N C -1.430 174.201 175.510 0.200 0.000 1.106 243 N CA -0.559 52.570 53.050 0.131 0.000 0.778 243 N CB 1.894 40.443 38.487 0.104 0.000 1.431 243 N HN 0.112 nan 8.380 nan 0.000 0.479 244 K N 0.259 120.747 120.400 0.146 0.000 2.336 244 K HA 0.391 4.051 4.320 -1.100 0.000 0.262 244 K C -0.636 176.098 176.600 0.224 0.000 0.992 244 K CA 0.025 56.383 56.287 0.118 0.000 0.927 244 K CB 0.215 32.735 32.500 0.033 0.000 0.956 244 K HN 0.491 nan 8.250 nan 0.000 0.495 245 F N -2.425 117.541 119.950 0.026 0.000 2.645 245 F HA 0.474 4.342 4.527 -1.099 0.000 0.310 245 F C -1.251 174.546 175.800 -0.005 0.000 1.102 245 F CA -1.523 56.477 58.000 0.001 0.000 0.952 245 F CB 1.278 40.270 39.000 -0.015 0.000 1.326 245 F HN 0.298 nan 8.300 nan 0.000 0.456 246 K N 1.849 122.342 120.400 0.156 0.000 2.205 246 K HA 0.064 3.724 4.320 -1.100 0.000 0.279 246 K C -0.503 176.175 176.600 0.131 0.000 1.027 246 K CA -0.496 55.813 56.287 0.035 0.000 0.932 246 K CB 1.230 33.747 32.500 0.028 0.000 1.032 246 K HN 0.730 nan 8.250 nan 0.000 0.466 247 W N 5.922 127.105 121.300 -0.195 0.000 2.343 247 W HA -0.020 3.981 4.660 -1.099 0.000 0.337 247 W C -1.947 174.446 176.519 -0.211 0.000 1.320 247 W CA -0.797 56.428 57.345 -0.200 0.000 1.290 247 W CB 0.294 29.513 29.460 -0.402 0.000 1.206 247 W HN 0.432 nan 8.180 nan 0.000 0.565 248 P HA 0.006 nan 4.420 nan 0.000 0.272 248 P C -0.706 176.429 177.300 -0.275 0.000 1.223 248 P CA -0.296 62.513 63.100 -0.484 0.000 0.784 248 P CB 0.956 32.074 31.700 -0.969 0.000 0.923 249 L N 3.274 124.404 121.223 -0.155 0.000 2.313 249 L HA 0.254 3.934 4.340 -1.100 0.000 0.282 249 L C -0.768 176.058 176.870 -0.073 0.000 1.092 249 L CA -0.129 54.672 54.840 -0.066 0.000 0.831 249 L CB 0.394 42.419 42.059 -0.058 0.000 1.159 249 L HN 0.038 nan 8.230 nan 0.000 0.442 250 V N 6.504 126.410 119.914 -0.014 0.000 2.435 250 V HA 0.806 4.266 4.120 -1.100 0.000 0.290 250 V C 0.981 177.103 176.094 0.047 0.000 1.030 250 V CA 0.136 62.408 62.300 -0.046 0.000 0.881 250 V CB 0.441 32.219 31.823 -0.075 0.000 0.983 250 V HN 1.205 nan 8.190 nan 0.000 0.445 251 G N 4.626 113.448 108.800 0.036 0.000 2.598 251 G HA2 -0.263 3.037 3.960 -1.100 0.000 0.269 251 G HA3 -0.263 3.037 3.960 -1.100 0.000 0.269 251 G C 0.422 175.338 174.900 0.027 0.000 1.289 251 G CA 0.495 45.628 45.100 0.054 0.000 0.926 251 G HN 1.085 nan 8.290 nan 0.000 0.567 252 E N -0.026 120.192 120.200 0.031 0.000 2.365 252 E HA 0.296 3.986 4.350 -1.100 0.000 0.188 252 E C 1.198 177.784 176.600 -0.024 0.000 1.102 252 E CA 0.663 57.059 56.400 -0.006 0.000 0.927 252 E CB -0.364 29.338 29.700 0.003 0.000 1.073 252 E HN 0.790 nan 8.360 nan 0.000 0.467 253 T N -0.656 113.899 114.554 0.001 0.000 2.893 253 T HA 0.374 4.064 4.350 -1.100 0.000 0.279 253 T C -0.369 174.239 174.700 -0.153 0.000 0.991 253 T CA -0.915 61.171 62.100 -0.023 0.000 0.950 253 T CB 1.455 70.398 68.868 0.125 0.000 1.223 253 T HN 0.300 nan 8.240 nan 0.000 0.585 254 E N 0.934 121.011 120.200 -0.204 0.000 2.349 254 E HA 0.510 4.200 4.350 -1.100 0.000 0.290 254 E C -1.300 175.258 176.600 -0.069 0.000 0.901 254 E CA -0.895 55.386 56.400 -0.198 0.000 0.800 254 E CB 1.104 30.571 29.700 -0.388 0.000 1.303 254 E HN 0.638 nan 8.360 nan 0.000 0.397 255 L N 0.853 122.075 121.223 -0.000 0.000 2.286 255 L HA 0.669 4.349 4.340 -1.100 0.000 0.265 255 L C 0.118 176.987 176.870 -0.002 0.000 1.012 255 L CA -1.313 53.544 54.840 0.028 0.000 0.818 255 L CB 1.995 44.089 42.059 0.058 0.000 1.337 255 L HN 0.437 nan 8.230 nan 0.000 0.438 256 S N 1.700 117.394 115.700 -0.010 0.000 2.080 256 S HA 0.548 4.358 4.470 -1.100 0.000 0.162 256 S C -0.406 174.149 174.600 -0.074 0.000 1.618 256 S CA -0.333 57.853 58.200 -0.023 0.000 1.200 256 S CB -0.223 62.981 63.200 0.005 0.000 1.135 256 S HN 0.312 nan 8.310 nan 0.000 0.455 257 I N 1.976 122.458 120.570 -0.146 0.000 2.355 257 I HA 0.389 3.899 4.170 -1.100 0.000 0.288 257 I C 0.044 176.028 176.117 -0.223 0.000 0.999 257 I CA -0.559 60.551 61.300 -0.317 0.000 1.163 257 I CB 1.649 39.193 38.000 -0.760 0.000 1.316 257 I HN 0.306 nan 8.210 nan 0.000 0.454 258 E N 6.647 126.742 120.200 -0.175 0.000 2.156 258 E HA 0.422 4.112 4.350 -1.100 0.000 0.279 258 E C -0.868 175.585 176.600 -0.244 0.000 0.965 258 E CA -0.702 55.587 56.400 -0.184 0.000 0.789 258 E CB 1.161 30.805 29.700 -0.092 0.000 1.098 258 E HN 0.370 nan 8.360 nan 0.000 0.397 259 I N 3.282 123.576 120.570 -0.461 0.000 2.428 259 I HA 0.309 3.819 4.170 -1.100 0.000 0.289 259 I C 0.479 176.439 176.117 -0.263 0.000 1.019 259 I CA -0.353 60.691 61.300 -0.428 0.000 1.351 259 I CB 0.779 38.326 38.000 -0.755 0.000 1.412 259 I HN 0.592 nan 8.210 nan 0.000 0.513 260 A N 5.211 127.976 122.820 -0.091 0.000 2.295 260 A HA 0.789 4.449 4.320 -1.100 0.000 0.318 260 A C 0.195 177.810 177.584 0.050 0.000 1.134 260 A CA -0.488 51.541 52.037 -0.013 0.000 0.827 260 A CB 0.874 19.880 19.000 0.009 0.000 1.136 260 A HN 0.832 nan 8.150 nan 0.000 0.493 261 A N 1.002 123.864 122.820 0.071 0.000 2.287 261 A HA 0.509 4.169 4.320 -1.100 0.000 0.273 261 A C 0.788 178.430 177.584 0.096 0.000 1.091 261 A CA -0.149 51.950 52.037 0.104 0.000 0.817 261 A CB -0.155 18.901 19.000 0.095 0.000 1.069 261 A HN 1.153 nan 8.150 nan 0.000 0.492 262 N N -0.491 118.274 118.700 0.109 0.000 2.721 262 N HA -0.146 3.934 4.740 -1.100 0.000 0.249 262 N C -0.332 175.237 175.510 0.097 0.000 1.072 262 N CA 1.589 54.697 53.050 0.098 0.000 0.710 262 N CB -0.702 37.830 38.487 0.075 0.000 0.993 262 N HN 0.798 nan 8.380 nan 0.000 0.547 263 Q N -0.254 119.617 119.800 0.119 0.000 2.309 263 Q HA 0.249 3.929 4.340 -1.100 0.000 0.273 263 Q C -0.802 175.285 176.000 0.146 0.000 1.040 263 Q CA -0.346 55.520 55.803 0.106 0.000 0.834 263 Q CB 2.010 30.793 28.738 0.075 0.000 1.345 263 Q HN 0.181 nan 8.270 nan 0.000 0.414 264 S N 2.370 118.153 115.700 0.138 0.000 2.561 264 S HA -0.100 3.710 4.470 -1.100 0.000 0.294 264 S C 0.789 175.531 174.600 0.236 0.000 1.294 264 S CA 0.176 58.485 58.200 0.183 0.000 1.055 264 S CB 0.248 63.529 63.200 0.135 0.000 0.819 264 S HN 0.769 nan 8.310 nan 0.000 0.503 265 W N 4.404 125.767 121.300 0.105 0.000 2.358 265 W HA -0.148 3.852 4.660 -1.099 0.000 0.303 265 W C 1.866 178.465 176.519 0.133 0.000 1.208 265 W CA 1.158 58.577 57.345 0.123 0.000 1.274 265 W CB -0.633 28.909 29.460 0.136 0.000 1.138 265 W HN 0.869 nan 8.180 nan 0.000 0.515 266 A N 0.222 123.171 122.820 0.215 0.000 2.239 266 A HA -0.090 3.570 4.320 -1.100 0.000 0.209 266 A C 1.586 179.178 177.584 0.013 0.000 1.171 266 A CA 1.541 53.639 52.037 0.102 0.000 0.768 266 A CB -0.828 18.268 19.000 0.160 0.000 0.790 266 A HN 0.292 nan 8.150 nan 0.000 0.478 267 S N -1.579 114.119 115.700 -0.003 0.000 2.663 267 S HA 0.247 4.057 4.470 -1.100 0.000 0.243 267 S C 0.104 174.660 174.600 -0.073 0.000 1.009 267 S CA -0.475 57.708 58.200 -0.027 0.000 0.988 267 S CB -0.027 63.178 63.200 0.008 0.000 0.896 267 S HN 0.502 nan 8.310 nan 0.000 0.502 268 Q N 1.644 121.366 119.800 -0.130 0.000 2.700 268 Q HA 0.409 4.089 4.340 -1.100 0.000 0.249 268 Q C -0.796 175.075 176.000 -0.215 0.000 1.033 268 Q CA -0.373 55.344 55.803 -0.144 0.000 0.804 268 Q CB 0.710 29.374 28.738 -0.123 0.000 1.164 268 Q HN 0.275 nan 8.270 nan 0.000 0.500 269 N N 1.211 119.730 118.700 -0.302 0.000 2.273 269 N HA 0.233 4.314 4.740 -1.100 0.000 0.231 269 N C 0.265 175.289 175.510 -0.809 0.000 1.134 269 N CA 0.414 53.228 53.050 -0.393 0.000 0.856 269 N CB 1.617 39.960 38.487 -0.241 0.000 1.068 269 N HN 0.702 nan 8.380 nan 0.000 0.510 270 G N -1.165 106.756 108.800 -1.465 0.000 2.316 270 G HA2 0.385 3.685 3.960 -1.100 0.000 0.349 270 G HA3 0.385 3.685 3.960 -1.100 0.000 0.349 270 G C -0.408 173.644 174.900 -1.412 0.000 1.274 270 G CA -0.173 43.470 45.100 -2.427 0.000 1.018 270 G HN 0.579 nan 8.290 nan 0.000 0.486 271 G N -2.146 105.974 108.800 -1.133 0.000 2.346 271 G HA2 0.623 3.923 3.960 -1.100 0.000 0.294 271 G HA3 0.623 3.923 3.960 -1.100 0.000 0.294 271 G C -0.478 174.236 174.900 -0.310 0.000 1.294 271 G CA 0.547 45.331 45.100 -0.527 0.000 0.962 271 G HN 2.364 nan 8.290 nan 0.000 0.508 272 S N -0.299 115.324 115.700 -0.128 0.000 2.733 272 S HA 0.685 4.495 4.470 -1.100 0.000 0.307 272 S C -0.134 174.475 174.600 0.016 0.000 1.127 272 S CA 0.230 58.407 58.200 -0.037 0.000 1.097 272 S CB 1.244 64.404 63.200 -0.066 0.000 1.003 272 S HN 1.826 nan 8.310 nan 0.000 0.477 273 T N -0.544 114.055 114.554 0.074 0.000 2.867 273 T HA 0.643 4.334 4.350 -1.100 0.000 0.282 273 T C 0.138 174.860 174.700 0.037 0.000 1.000 273 T CA -0.582 61.555 62.100 0.062 0.000 1.042 273 T CB 1.308 70.233 68.868 0.094 0.000 0.973 273 T HN 0.685 nan 8.240 nan 0.000 0.465 274 T N 1.073 115.639 114.554 0.021 0.000 2.811 274 T HA 0.435 4.125 4.350 -1.100 0.000 0.309 274 T C 0.735 175.448 174.700 0.022 0.000 1.005 274 T CA -0.366 61.741 62.100 0.012 0.000 0.955 274 T CB -0.173 68.697 68.868 0.003 0.000 0.970 274 T HN 1.022 nan 8.240 nan 0.000 0.496 275 T N 2.080 116.653 114.554 0.031 0.000 2.667 275 T HA 0.366 4.056 4.350 -1.100 0.000 0.305 275 T C 0.196 174.926 174.700 0.049 0.000 1.022 275 T CA -0.506 61.621 62.100 0.045 0.000 0.995 275 T CB 0.739 69.648 68.868 0.068 0.000 1.026 275 T HN 0.748 nan 8.240 nan 0.000 0.527 276 S N 0.589 116.325 115.700 0.060 0.000 2.557 276 S HA 0.558 4.368 4.470 -1.100 0.000 0.291 276 S C -1.125 173.528 174.600 0.087 0.000 1.116 276 S CA -0.912 57.326 58.200 0.064 0.000 0.992 276 S CB 0.495 63.723 63.200 0.046 0.000 1.028 276 S HN 0.622 nan 8.310 nan 0.000 0.484 277 L N 3.734 125.018 121.223 0.102 0.000 2.367 277 L HA 0.567 4.247 4.340 -1.100 0.000 0.275 277 L C 0.103 177.024 176.870 0.085 0.000 1.129 277 L CA 0.667 55.578 54.840 0.119 0.000 0.839 277 L CB 0.934 43.075 42.059 0.137 0.000 1.133 277 L HN 0.705 nan 8.230 nan 0.000 0.453 278 S N 3.190 118.939 115.700 0.083 0.000 2.550 278 S HA 0.500 4.310 4.470 -1.100 0.000 0.274 278 S C -1.271 173.366 174.600 0.061 0.000 1.110 278 S CA -0.814 57.422 58.200 0.061 0.000 1.013 278 S CB 1.112 64.341 63.200 0.048 0.000 1.152 278 S HN 0.472 nan 8.310 nan 0.000 0.450 279 Q N 1.205 121.039 119.800 0.056 0.000 2.359 279 Q HA 0.714 4.394 4.340 -1.100 0.000 0.274 279 Q C -0.852 175.172 176.000 0.042 0.000 1.074 279 Q CA -0.651 55.183 55.803 0.053 0.000 0.810 279 Q CB 2.283 31.058 28.738 0.061 0.000 1.342 279 Q HN 0.534 nan 8.270 nan 0.000 0.427 280 S N 0.092 115.814 115.700 0.037 0.000 2.661 280 S HA 0.843 4.653 4.470 -1.100 0.000 0.285 280 S C -1.640 172.981 174.600 0.035 0.000 1.138 280 S CA -0.618 57.602 58.200 0.034 0.000 0.855 280 S CB 1.912 65.129 63.200 0.028 0.000 1.136 280 S HN 0.344 nan 8.310 nan 0.000 0.484 281 V N 2.364 122.300 119.914 0.038 0.000 2.852 281 V HA 0.565 4.025 4.120 -1.100 0.000 0.300 281 V C -1.271 174.852 176.094 0.049 0.000 1.205 281 V CA -0.685 61.639 62.300 0.039 0.000 0.940 281 V CB 2.066 33.911 31.823 0.036 0.000 1.047 281 V HN 0.890 nan 8.190 nan 0.000 0.429 282 R N 7.320 127.848 120.500 0.047 0.000 2.287 282 R HA 0.583 4.263 4.340 -1.100 0.000 0.327 282 R C -2.449 173.882 176.300 0.053 0.000 1.109 282 R CA -1.129 55.005 56.100 0.057 0.000 1.013 282 R CB 0.990 31.321 30.300 0.050 0.000 1.126 282 R HN 0.607 nan 8.270 nan 0.000 0.503 283 P HA 0.266 nan 4.420 nan 0.000 0.290 283 P C -1.057 176.269 177.300 0.044 0.000 1.275 283 P CA -0.529 62.600 63.100 0.049 0.000 0.841 283 P CB 2.013 33.744 31.700 0.051 0.000 1.042 284 T N 1.264 115.838 114.554 0.034 0.000 2.771 284 T HA 0.362 4.052 4.350 -1.100 0.000 0.281 284 T C -0.321 174.391 174.700 0.020 0.000 0.982 284 T CA -0.321 61.793 62.100 0.023 0.000 0.978 284 T CB 0.670 69.551 68.868 0.021 0.000 0.930 284 T HN 0.092 nan 8.240 nan 0.000 0.447 285 V N 7.503 127.420 119.914 0.006 0.000 2.378 285 V HA 0.348 3.808 4.120 -1.100 0.000 0.288 285 V C -2.164 173.928 176.094 -0.003 0.000 1.016 285 V CA -2.134 60.170 62.300 0.008 0.000 0.840 285 V CB 1.453 33.278 31.823 0.003 0.000 0.994 285 V HN 0.674 nan 8.190 nan 0.000 0.431 286 P HA 0.086 nan 4.420 nan 0.000 0.270 286 P C -0.065 177.229 177.300 -0.010 0.000 1.227 286 P CA -0.092 63.008 63.100 -0.001 0.000 0.788 286 P CB 0.465 32.169 31.700 0.006 0.000 0.926 287 A N 3.071 125.884 122.820 -0.012 0.000 2.540 287 A HA -0.152 3.508 4.320 -1.100 0.000 0.268 287 A C 0.460 178.031 177.584 -0.021 0.000 1.061 287 A CA 0.351 52.377 52.037 -0.018 0.000 0.821 287 A CB -1.123 17.869 19.000 -0.015 0.000 0.970 287 A HN 0.591 nan 8.150 nan 0.000 0.524 288 R N 1.168 121.652 120.500 -0.027 0.000 3.092 288 R HA -0.150 3.530 4.340 -1.100 0.000 0.245 288 R C -0.168 176.110 176.300 -0.037 0.000 0.881 288 R CA 0.983 57.063 56.100 -0.033 0.000 0.614 288 R CB -2.126 28.154 30.300 -0.033 0.000 1.128 288 R HN 0.625 nan 8.270 nan 0.000 0.483 289 S N -0.431 115.251 115.700 -0.030 0.000 2.661 289 S HA 0.637 4.447 4.470 -1.100 0.000 0.285 289 S C -0.554 174.035 174.600 -0.018 0.000 1.138 289 S CA -1.078 57.103 58.200 -0.030 0.000 0.855 289 S CB 2.005 65.200 63.200 -0.009 0.000 1.136 289 S HN 0.389 nan 8.310 nan 0.000 0.484 290 K N 0.620 121.009 120.400 -0.018 0.000 2.350 290 K HA 0.719 4.379 4.320 -1.100 0.000 0.241 290 K C -1.159 175.564 176.600 0.205 0.000 0.994 290 K CA -0.822 55.500 56.287 0.059 0.000 0.839 290 K CB 1.888 34.361 32.500 -0.044 0.000 1.244 290 K HN 0.567 nan 8.250 nan 0.000 0.443 291 I N 1.322 122.088 120.570 0.326 0.000 2.545 291 I HA 0.382 3.892 4.170 -1.100 0.000 0.292 291 I C -2.731 173.581 176.117 0.325 0.000 1.040 291 I CA -2.639 58.843 61.300 0.304 0.000 1.068 291 I CB 2.659 40.745 38.000 0.143 0.000 1.251 291 I HN 0.485 nan 8.210 nan 0.000 0.424 292 P HA 0.246 nan 4.420 nan 0.000 0.275 292 P C -1.331 175.812 177.300 -0.261 0.000 1.228 292 P CA -0.195 62.623 63.100 -0.468 0.000 0.786 292 P CB 1.195 32.584 31.700 -0.518 0.000 0.927 293 V N 3.304 123.021 119.914 -0.328 0.000 2.623 293 V HA 0.539 3.999 4.120 -1.100 0.000 0.304 293 V C -0.136 175.849 176.094 -0.182 0.000 1.054 293 V CA -0.560 61.638 62.300 -0.171 0.000 0.882 293 V CB 1.707 33.470 31.823 -0.100 0.000 1.002 293 V HN 0.639 nan 8.190 nan 0.000 0.424 294 K N 4.742 125.068 120.400 -0.123 0.000 2.498 294 K HA 0.839 4.500 4.320 -1.100 0.000 0.254 294 K C -1.816 174.738 176.600 -0.078 0.000 0.933 294 K CA -0.754 55.462 56.287 -0.117 0.000 0.806 294 K CB 2.597 35.018 32.500 -0.131 0.000 1.301 294 K HN 0.512 nan 8.250 nan 0.000 0.432 295 I N 2.203 122.718 120.570 -0.092 0.000 2.447 295 I HA 0.250 3.760 4.170 -1.100 0.000 0.287 295 I C -0.554 175.482 176.117 -0.135 0.000 1.023 295 I CA -0.810 60.446 61.300 -0.074 0.000 1.083 295 I CB 2.063 40.023 38.000 -0.067 0.000 1.245 295 I HN 0.626 nan 8.210 nan 0.000 0.434 296 E N 6.697 126.824 120.200 -0.121 0.000 2.227 296 E HA 0.515 4.206 4.350 -1.100 0.000 0.282 296 E C -1.083 175.239 176.600 -0.464 0.000 1.015 296 E CA -0.612 55.606 56.400 -0.305 0.000 0.823 296 E CB 1.905 31.453 29.700 -0.254 0.000 1.081 296 E HN 0.429 nan 8.360 nan 0.000 0.396 297 L N 3.683 124.530 121.223 -0.628 0.000 2.307 297 L HA 0.464 4.145 4.340 -1.100 0.000 0.284 297 L C -0.812 175.639 176.870 -0.697 0.000 1.023 297 L CA -0.842 53.639 54.840 -0.599 0.000 0.810 297 L CB 0.409 41.956 42.059 -0.854 0.000 1.231 297 L HN 0.491 nan 8.230 nan 0.000 0.423 298 Y N 1.371 121.489 120.300 -0.303 0.000 2.549 298 Y HA 0.569 4.460 4.550 -1.099 0.000 0.339 298 Y C -0.079 175.582 175.900 -0.398 0.000 1.053 298 Y CA -0.858 56.983 58.100 -0.433 0.000 1.105 298 Y CB 2.070 40.054 38.460 -0.794 0.000 1.258 298 Y HN 0.427 nan 8.280 nan 0.000 0.478 299 K N 1.255 121.627 120.400 -0.048 0.000 2.318 299 K HA 0.927 4.587 4.320 -1.100 0.000 0.249 299 K C -1.719 174.910 176.600 0.049 0.000 0.942 299 K CA -0.788 55.485 56.287 -0.024 0.000 0.808 299 K CB 1.689 34.200 32.500 0.019 0.000 1.189 299 K HN 0.820 nan 8.250 nan 0.000 0.428 300 A N 3.122 126.015 122.820 0.121 0.000 2.455 300 A HA 0.453 4.113 4.320 -1.100 0.000 0.300 300 A C -1.630 176.038 177.584 0.141 0.000 1.040 300 A CA -0.852 51.292 52.037 0.180 0.000 0.697 300 A CB 1.312 20.507 19.000 0.325 0.000 1.265 300 A HN 0.791 nan 8.150 nan 0.000 0.407 301 D N 0.597 121.068 120.400 0.118 0.000 2.269 301 D HA 0.657 4.637 4.640 -1.100 0.000 0.244 301 D C -1.348 175.025 176.300 0.122 0.000 0.992 301 D CA -0.012 54.041 54.000 0.089 0.000 0.894 301 D CB 2.493 43.328 40.800 0.059 0.000 1.248 301 D HN 0.380 nan 8.370 nan 0.000 0.468 302 I N 0.603 121.237 120.570 0.107 0.000 2.752 302 I HA 0.309 3.819 4.170 -1.100 0.000 0.295 302 I C -1.526 174.643 176.117 0.088 0.000 1.219 302 I CA -0.196 61.212 61.300 0.181 0.000 1.030 302 I CB 1.934 40.114 38.000 0.300 0.000 1.259 302 I HN 0.404 nan 8.210 nan 0.000 0.423 303 S N 6.168 121.951 115.700 0.139 0.000 2.535 303 S HA 0.876 4.687 4.470 -1.100 0.000 0.272 303 S C -1.634 173.096 174.600 0.216 0.000 1.149 303 S CA -0.573 57.641 58.200 0.023 0.000 0.888 303 S CB 1.380 64.570 63.200 -0.016 0.000 1.110 303 S HN 1.035 nan 8.310 nan 0.000 0.463 304 Y N -1.356 119.183 120.300 0.397 0.000 2.641 304 Y HA 0.811 4.701 4.550 -1.099 0.000 0.333 304 Y C -3.354 172.796 175.900 0.417 0.000 1.174 304 Y CA -2.393 55.929 58.100 0.369 0.000 1.057 304 Y CB 0.151 38.874 38.460 0.439 0.000 1.322 304 Y HN 0.530 nan 8.280 nan 0.000 0.457 305 P HA 0.211 nan 4.420 nan 0.000 0.275 305 P C -1.408 176.248 177.300 0.594 0.000 1.228 305 P CA 0.274 63.635 63.100 0.436 0.000 0.786 305 P CB 0.805 32.631 31.700 0.210 0.000 0.927 306 Y N -1.462 119.136 120.300 0.496 0.000 2.545 306 Y HA 0.755 4.645 4.550 -1.100 0.000 0.348 306 Y C -0.801 175.263 175.900 0.272 0.000 1.002 306 Y CA -1.520 56.848 58.100 0.447 0.000 1.039 306 Y CB 1.842 40.806 38.460 0.840 0.000 1.271 306 Y HN 0.388 nan 8.280 nan 0.000 0.467 307 E N 2.643 122.933 120.200 0.151 0.000 2.263 307 E HA 0.524 4.214 4.350 -1.100 0.000 0.268 307 E C -2.112 174.500 176.600 0.020 0.000 0.884 307 E CA -0.603 55.862 56.400 0.108 0.000 0.766 307 E CB 1.302 30.988 29.700 -0.023 0.000 1.196 307 E HN 0.597 nan 8.360 nan 0.000 0.416 308 F N 1.906 121.966 119.950 0.183 0.000 2.557 308 F HA 0.566 4.433 4.527 -1.100 0.000 0.336 308 F C 0.237 176.014 175.800 -0.038 0.000 1.058 308 F CA -0.904 57.112 58.000 0.027 0.000 0.988 308 F CB 1.224 40.176 39.000 -0.080 0.000 1.275 308 F HN 0.133 nan 8.300 nan 0.000 0.488 309 K N 1.047 121.535 120.400 0.146 0.000 2.270 309 K HA 0.751 4.412 4.320 -1.100 0.000 0.255 309 K C -1.123 175.501 176.600 0.041 0.000 0.936 309 K CA -0.712 55.613 56.287 0.063 0.000 0.809 309 K CB 1.926 34.446 32.500 0.033 0.000 1.131 309 K HN 0.658 nan 8.250 nan 0.000 0.427 310 A N 2.791 125.635 122.820 0.041 0.000 2.303 310 A HA 0.344 4.004 4.320 -1.100 0.000 0.320 310 A C -0.663 176.987 177.584 0.111 0.000 1.192 310 A CA -0.733 51.338 52.037 0.057 0.000 0.821 310 A CB 0.346 19.385 19.000 0.066 0.000 1.188 310 A HN 0.593 nan 8.150 nan 0.000 0.492 311 D N 2.386 122.843 120.400 0.095 0.000 2.382 311 D HA 0.219 4.199 4.640 -1.100 0.000 0.259 311 D C 0.101 176.493 176.300 0.154 0.000 1.224 311 D CA 0.453 54.515 54.000 0.104 0.000 0.894 311 D CB 1.092 41.928 40.800 0.060 0.000 1.127 311 D HN 0.190 nan 8.370 nan 0.000 0.487 312 V N 2.692 122.728 119.914 0.204 0.000 2.488 312 V HA 0.228 3.688 4.120 -1.100 0.000 0.277 312 V C 0.714 176.911 176.094 0.171 0.000 1.046 312 V CA -0.328 62.132 62.300 0.268 0.000 0.986 312 V CB 0.993 33.068 31.823 0.420 0.000 0.989 312 V HN 0.605 nan 8.190 nan 0.000 0.475 313 S N 4.607 120.340 115.700 0.055 0.000 2.600 313 S HA 0.946 4.757 4.470 -1.100 0.000 0.300 313 S C -1.031 173.484 174.600 -0.140 0.000 1.087 313 S CA -0.764 57.371 58.200 -0.107 0.000 0.965 313 S CB 2.073 65.193 63.200 -0.135 0.000 1.089 313 S HN 0.794 nan 8.310 nan 0.000 0.496 314 Y N -1.802 118.334 120.300 -0.275 0.000 2.670 314 Y HA 0.769 4.659 4.550 -1.100 0.000 0.334 314 Y C -1.692 174.068 175.900 -0.232 0.000 1.185 314 Y CA -1.329 56.491 58.100 -0.467 0.000 1.053 314 Y CB 0.323 38.175 38.460 -1.014 0.000 1.298 314 Y HN 0.446 nan 8.280 nan 0.000 0.459 315 D N 1.368 121.735 120.400 -0.056 0.000 2.185 315 D HA 0.456 4.436 4.640 -1.100 0.000 0.247 315 D C -1.483 174.891 176.300 0.124 0.000 1.027 315 D CA -0.243 53.753 54.000 -0.007 0.000 0.861 315 D CB 2.406 43.194 40.800 -0.020 0.000 1.202 315 D HN 0.554 nan 8.370 nan 0.000 0.453 316 L N 1.720 123.035 121.223 0.154 0.000 2.316 316 L HA 0.379 4.059 4.340 -1.100 0.000 0.280 316 L C -0.656 176.302 176.870 0.146 0.000 1.006 316 L CA -0.138 54.831 54.840 0.216 0.000 0.836 316 L CB 1.547 43.771 42.059 0.274 0.000 1.221 316 L HN 0.208 nan 8.230 nan 0.000 0.418 317 T N 6.203 120.822 114.554 0.107 0.000 2.758 317 T HA 0.537 4.227 4.350 -1.100 0.000 0.285 317 T C -0.180 174.555 174.700 0.058 0.000 0.981 317 T CA -0.335 61.802 62.100 0.062 0.000 0.965 317 T CB 0.586 69.481 68.868 0.046 0.000 0.927 317 T HN 0.353 nan 8.240 nan 0.000 0.448 318 L N 3.590 124.838 121.223 0.042 0.000 2.289 318 L HA 0.684 4.364 4.340 -1.100 0.000 0.285 318 L C 0.463 177.319 176.870 -0.023 0.000 1.049 318 L CA -0.663 54.089 54.840 -0.148 0.000 0.804 318 L CB 1.200 42.972 42.059 -0.480 0.000 1.195 318 L HN 0.681 nan 8.230 nan 0.000 0.428 319 S N 1.760 117.449 115.700 -0.018 0.000 2.575 319 S HA 0.950 4.760 4.470 -1.100 0.000 0.278 319 S C -0.538 174.235 174.600 0.288 0.000 1.139 319 S CA -0.109 58.221 58.200 0.217 0.000 0.954 319 S CB 2.287 65.579 63.200 0.153 0.000 1.054 319 S HN 1.038 nan 8.310 nan 0.000 0.483 320 G N 1.821 110.912 108.800 0.486 0.000 2.317 320 G HA2 0.445 3.746 3.960 -1.100 0.000 0.293 320 G HA3 0.445 3.746 3.960 -1.100 0.000 0.293 320 G C -1.195 173.991 174.900 0.476 0.000 1.287 320 G CA -0.443 44.931 45.100 0.457 0.000 0.850 320 G HN 1.461 nan 8.290 nan 0.000 0.515 321 F N -0.235 119.876 119.950 0.267 0.000 2.377 321 F HA 0.845 4.712 4.527 -1.099 0.000 0.328 321 F C -0.065 175.750 175.800 0.026 0.000 1.094 321 F CA -1.499 56.596 58.000 0.158 0.000 1.093 321 F CB 0.869 39.959 39.000 0.150 0.000 1.214 321 F HN 0.340 nan 8.300 nan 0.000 0.518 322 L N 4.091 125.321 121.223 0.012 0.000 2.292 322 L HA 0.467 4.147 4.340 -1.100 0.000 0.284 322 L C 0.361 177.203 176.870 -0.047 0.000 1.065 322 L CA -0.811 53.889 54.840 -0.233 0.000 0.806 322 L CB 1.102 42.921 42.059 -0.401 0.000 1.175 322 L HN 0.718 nan 8.230 nan 0.000 0.431 323 R N 1.565 121.984 120.500 -0.135 0.000 2.694 323 R HA 0.004 3.684 4.340 -1.100 0.000 0.268 323 R C -0.567 175.794 176.300 0.102 0.000 1.061 323 R CA -0.418 55.692 56.100 0.017 0.000 1.133 323 R CB 0.570 30.830 30.300 -0.066 0.000 1.020 323 R HN 0.547 nan 8.270 nan 0.000 0.475 324 W N 2.220 123.540 121.300 0.032 0.000 2.251 324 W HA 0.218 4.219 4.660 -1.099 0.000 0.327 324 W C 0.725 177.238 176.519 -0.010 0.000 1.361 324 W CA 0.843 58.187 57.345 -0.001 0.000 1.234 324 W CB 0.488 29.945 29.460 -0.005 0.000 1.212 324 W HN 0.856 nan 8.180 nan 0.000 0.557 325 G N 3.680 112.044 108.800 -0.726 0.000 2.273 325 G HA2 0.137 3.437 3.960 -1.100 0.000 0.280 325 G HA3 0.137 3.437 3.960 -1.100 0.000 0.280 325 G C 0.158 174.885 174.900 -0.289 0.000 1.047 325 G CA 0.237 44.864 45.100 -0.789 0.000 0.869 325 G HN 1.906 nan 8.290 nan 0.000 0.502 326 G N -0.659 108.051 108.800 -0.149 0.000 2.667 326 G HA2 0.604 3.904 3.960 -1.100 0.000 0.244 326 G HA3 0.604 3.904 3.960 -1.100 0.000 0.244 326 G C -0.837 173.999 174.900 -0.108 0.000 3.242 326 G CA 0.318 45.472 45.100 0.091 0.000 0.634 326 G HN 1.596 nan 8.290 nan 0.000 0.410 327 N N -0.707 117.652 118.700 -0.568 0.000 2.774 327 N HA 0.765 4.845 4.740 -1.100 0.000 0.264 327 N C 0.368 175.175 175.510 -1.171 0.000 1.415 327 N CA -0.312 52.352 53.050 -0.642 0.000 0.815 327 N CB 1.629 39.865 38.487 -0.419 0.000 1.514 327 N HN 0.613 nan 8.380 nan 0.000 0.523 328 A N -0.710 121.740 122.820 -0.617 0.000 2.500 328 A HA 0.164 3.824 4.320 -1.100 0.000 0.267 328 A C -0.668 176.729 177.584 -0.312 0.000 1.290 328 A CA -0.687 51.049 52.037 -0.501 0.000 0.928 328 A CB -0.613 18.393 19.000 0.010 0.000 1.066 328 A HN 0.632 nan 8.150 nan 0.000 0.516 329 W N 1.049 121.904 121.300 -0.742 0.000 2.216 329 W HA 0.183 4.183 4.660 -1.099 0.000 0.326 329 W C 1.136 177.118 176.519 -0.894 0.000 1.319 329 W CA -0.075 56.737 57.345 -0.888 0.000 1.213 329 W CB 0.407 29.142 29.460 -1.208 0.000 1.171 329 W HN 0.630 nan 8.180 nan 0.000 0.557 330 Y N 1.721 121.248 120.300 -1.288 0.000 2.241 330 Y HA -0.291 3.599 4.550 -1.100 0.000 0.286 330 Y C 2.178 177.761 175.900 -0.529 0.000 1.166 330 Y CA 2.399 60.002 58.100 -0.829 0.000 1.203 330 Y CB -1.302 36.705 38.460 -0.755 0.000 0.977 330 Y HN 0.272 nan 8.280 nan 0.000 0.529 331 T N -3.113 110.735 114.554 -1.176 0.000 3.148 331 T HA -0.030 3.661 4.350 -1.100 0.000 0.253 331 T C 0.238 174.750 174.700 -0.313 0.000 1.134 331 T CA 0.410 62.116 62.100 -0.656 0.000 1.051 331 T CB -0.965 67.557 68.868 -0.576 0.000 0.959 331 T HN 0.672 nan 8.240 nan 0.000 0.525 332 H N 1.861 120.704 119.070 -0.378 0.000 2.527 332 H HA -0.076 3.820 4.556 -1.100 0.000 0.321 332 H C -2.164 172.997 175.328 -0.279 0.000 1.092 332 H CA 0.568 56.398 56.048 -0.362 0.000 1.118 332 H CB -1.611 27.929 29.762 -0.370 0.000 1.536 332 H HN 0.519 nan 8.280 nan 0.000 0.407 333 P HA -0.017 nan 4.420 nan 0.000 0.267 333 P C 0.691 177.940 177.300 -0.086 0.000 1.200 333 P CA 0.240 63.255 63.100 -0.142 0.000 0.772 333 P CB 0.736 32.315 31.700 -0.202 0.000 0.855 334 D N 0.332 120.732 120.400 0.000 0.000 2.479 334 D HA -0.032 3.948 4.640 -1.100 0.000 0.218 334 D C 0.451 176.881 176.300 0.216 0.000 1.177 334 D CA -0.096 53.966 54.000 0.103 0.000 0.830 334 D CB -0.770 40.100 40.800 0.117 0.000 1.014 334 D HN 0.246 nan 8.370 nan 0.000 0.503 335 N N 1.161 119.933 118.700 0.120 0.000 2.187 335 N HA 0.044 4.124 4.740 -1.100 0.000 0.212 335 N C -0.080 175.498 175.510 0.113 0.000 1.152 335 N CA -0.410 52.705 53.050 0.108 0.000 0.872 335 N CB -0.063 38.465 38.487 0.068 0.000 1.025 335 N HN 0.020 nan 8.380 nan 0.000 0.514 336 R N -0.546 120.046 120.500 0.153 0.000 3.322 336 R HA -0.082 3.598 4.340 -1.100 0.000 0.266 336 R C -2.413 174.008 176.300 0.201 0.000 1.072 336 R CA 0.420 56.658 56.100 0.230 0.000 0.715 336 R CB -1.960 28.454 30.300 0.191 0.000 1.199 336 R HN 0.430 nan 8.270 nan 0.000 0.421 337 P HA 0.077 nan 4.420 nan 0.000 0.276 337 P C -0.477 177.001 177.300 0.297 0.000 1.244 337 P CA -0.309 62.916 63.100 0.207 0.000 0.801 337 P CB 0.573 32.426 31.700 0.256 0.000 1.006 338 N N 1.200 120.045 118.700 0.241 0.000 2.475 338 N HA 0.039 4.119 4.740 -1.100 0.000 0.267 338 N C -0.425 175.246 175.510 0.269 0.000 1.169 338 N CA 0.371 53.577 53.050 0.261 0.000 0.947 338 N CB 0.638 39.218 38.487 0.154 0.000 1.061 338 N HN 0.532 nan 8.380 nan 0.000 0.466 339 W N 1.781 123.118 121.300 0.062 0.000 2.719 339 W HA 0.328 4.328 4.660 -1.100 0.000 0.352 339 W C -0.904 175.713 176.519 0.164 0.000 1.085 339 W CA -0.470 56.878 57.345 0.006 0.000 1.187 339 W CB 1.659 31.037 29.460 -0.136 0.000 1.417 339 W HN 0.417 nan 8.180 nan 0.000 0.557 340 N N 1.966 120.628 118.700 -0.064 0.000 2.542 340 N HA 0.168 4.248 4.740 -1.100 0.000 0.288 340 N C -1.768 173.816 175.510 0.123 0.000 1.115 340 N CA -0.496 52.608 53.050 0.089 0.000 0.924 340 N CB 1.685 40.151 38.487 -0.035 0.000 1.526 340 N HN 0.329 nan 8.380 nan 0.000 0.515 341 H N 0.002 119.186 119.070 0.190 0.000 2.771 341 H HA 0.569 4.465 4.556 -1.100 0.000 0.361 341 H C -1.281 174.022 175.328 -0.042 0.000 1.108 341 H CA -0.307 55.821 56.048 0.134 0.000 1.201 341 H CB 1.418 31.472 29.762 0.486 0.000 1.681 341 H HN 0.307 nan 8.280 nan 0.000 0.534 342 T N 5.686 119.885 114.554 -0.590 0.000 2.758 342 T HA 0.320 4.010 4.350 -1.100 0.000 0.285 342 T C -0.879 173.531 174.700 -0.484 0.000 0.981 342 T CA -0.393 61.476 62.100 -0.385 0.000 0.965 342 T CB -0.126 68.597 68.868 -0.242 0.000 0.927 342 T HN 0.243 nan 8.240 nan 0.000 0.448 343 F N 1.990 121.949 119.950 0.015 0.000 2.421 343 F HA 0.465 4.332 4.527 -1.099 0.000 0.337 343 F C 0.330 176.091 175.800 -0.065 0.000 1.105 343 F CA -1.170 56.850 58.000 0.032 0.000 1.049 343 F CB 1.131 40.208 39.000 0.129 0.000 1.139 343 F HN 0.170 nan 8.300 nan 0.000 0.479 344 V N 5.450 125.404 119.914 0.066 0.000 2.385 344 V HA 0.197 3.657 4.120 -1.100 0.000 0.269 344 V C 0.114 176.140 176.094 -0.115 0.000 1.043 344 V CA -0.447 61.810 62.300 -0.071 0.000 0.906 344 V CB 0.631 32.380 31.823 -0.123 0.000 0.995 344 V HN 0.372 nan 8.190 nan 0.000 0.467 345 I N 5.805 126.216 120.570 -0.265 0.000 2.276 345 I HA 0.693 4.203 4.170 -1.100 0.000 0.290 345 I C 0.814 176.673 176.117 -0.430 0.000 1.109 345 I CA 0.504 61.557 61.300 -0.413 0.000 1.229 345 I CB -0.219 37.284 38.000 -0.829 0.000 1.452 345 I HN 0.837 nan 8.210 nan 0.000 0.497 346 G N 7.798 116.463 108.800 -0.225 0.000 2.334 346 G HA2 0.103 3.403 3.960 -1.100 0.000 0.249 346 G HA3 0.103 3.403 3.960 -1.100 0.000 0.249 346 G C -3.121 171.740 174.900 -0.064 0.000 1.327 346 G CA -0.819 44.193 45.100 -0.146 0.000 0.979 346 G HN 0.258 nan 8.290 nan 0.000 0.471 347 P HA 0.291 nan 4.420 nan 0.000 0.264 347 P C -0.521 176.810 177.300 0.052 0.000 1.183 347 P CA 0.084 63.200 63.100 0.026 0.000 0.763 347 P CB 0.093 31.806 31.700 0.022 0.000 0.807 348 Y N 3.160 123.438 120.300 -0.038 0.000 2.610 348 Y HA -0.042 3.849 4.550 -1.099 0.000 0.332 348 Y C 1.177 177.051 175.900 -0.042 0.000 1.201 348 Y CA 0.877 58.956 58.100 -0.036 0.000 1.465 348 Y CB 0.569 39.016 38.460 -0.021 0.000 1.283 348 Y HN 0.373 nan 8.280 nan 0.000 0.563 349 K N 2.368 122.440 120.400 -0.547 0.000 2.362 349 K HA 0.154 3.814 4.320 -1.100 0.000 0.203 349 K C -0.828 175.388 176.600 -0.640 0.000 1.198 349 K CA 0.703 56.763 56.287 -0.377 0.000 0.908 349 K CB 0.446 32.809 32.500 -0.228 0.000 1.236 349 K HN 0.819 nan 8.250 nan 0.000 0.487 350 D N -1.669 118.146 120.400 -0.975 0.000 2.665 350 D HA 0.139 4.119 4.640 -1.100 0.000 0.287 350 D C -0.084 175.768 176.300 -0.747 0.000 1.266 350 D CA -0.754 52.797 54.000 -0.749 0.000 0.830 350 D CB 0.819 41.425 40.800 -0.324 0.000 1.356 350 D HN -0.267 nan 8.370 nan 0.000 0.437 351 K N -0.219 119.876 120.400 -0.508 0.000 2.057 351 K HA -0.017 3.643 4.320 -1.100 0.000 0.207 351 K C 1.955 178.095 176.600 -0.767 0.000 1.049 351 K CA 1.604 57.525 56.287 -0.609 0.000 0.931 351 K CB -0.357 31.781 32.500 -0.603 0.000 0.714 351 K HN 0.473 nan 8.250 nan 0.000 0.440 352 A N 1.296 123.501 122.820 -1.025 0.000 2.024 352 A HA -0.140 3.520 4.320 -1.100 0.000 0.220 352 A C 1.912 179.285 177.584 -0.351 0.000 1.164 352 A CA 1.987 53.306 52.037 -1.197 0.000 0.643 352 A CB -0.363 18.233 19.000 -0.673 0.000 0.806 352 A HN 0.368 nan 8.150 nan 0.000 0.451 353 S N -1.499 114.038 115.700 -0.272 0.000 2.575 353 S HA 0.349 4.159 4.470 -1.100 0.000 0.237 353 S C 0.338 175.022 174.600 0.140 0.000 0.975 353 S CA 0.327 58.481 58.200 -0.076 0.000 0.960 353 S CB -0.155 62.923 63.200 -0.203 0.000 0.822 353 S HN 0.463 nan 8.310 nan 0.000 0.472 354 S N 0.795 116.580 115.700 0.142 0.000 2.733 354 S HA 0.515 4.325 4.470 -1.100 0.000 0.307 354 S C 0.701 175.446 174.600 0.242 0.000 1.127 354 S CA -0.811 57.485 58.200 0.161 0.000 1.097 354 S CB 0.147 63.410 63.200 0.105 0.000 1.003 354 S HN 0.353 nan 8.310 nan 0.000 0.477 355 I N 4.400 125.019 120.570 0.080 0.000 2.163 355 I HA -0.180 3.330 4.170 -1.100 0.000 0.243 355 I C 2.760 178.769 176.117 -0.180 0.000 1.085 355 I CA 1.162 62.348 61.300 -0.191 0.000 1.347 355 I CB -0.153 37.527 38.000 -0.533 0.000 1.044 355 I HN 0.648 nan 8.210 nan 0.000 0.408 356 R N -0.394 120.053 120.500 -0.088 0.000 2.091 356 R HA -0.249 3.431 4.340 -1.100 0.000 0.238 356 R C 2.408 178.765 176.300 0.094 0.000 1.136 356 R CA 2.089 58.167 56.100 -0.036 0.000 0.959 356 R CB -0.675 29.613 30.300 -0.021 0.000 0.856 356 R HN 0.377 nan 8.270 nan 0.000 0.437 357 Y N 1.734 122.090 120.300 0.093 0.000 2.163 357 Y HA -0.227 3.664 4.550 -1.099 0.000 0.288 357 Y C 2.273 178.261 175.900 0.146 0.000 1.136 357 Y CA 1.647 59.832 58.100 0.142 0.000 1.147 357 Y CB -0.042 38.559 38.460 0.234 0.000 0.987 357 Y HN 0.054 nan 8.280 nan 0.000 0.509 358 Q N -0.888 119.105 119.800 0.322 0.000 2.119 358 Q HA -0.223 3.457 4.340 -1.100 0.000 0.201 358 Q C 2.136 178.188 176.000 0.087 0.000 0.972 358 Q CA 1.435 57.459 55.803 0.368 0.000 0.847 358 Q CB -0.569 28.588 28.738 0.699 0.000 0.903 358 Q HN 0.707 nan 8.270 nan 0.000 0.433 359 W N 2.032 123.096 121.300 -0.394 0.000 2.408 359 W HA -0.164 3.835 4.660 -1.102 0.000 0.311 359 W C 0.731 177.084 176.519 -0.277 0.000 1.190 359 W CA 1.445 58.505 57.345 -0.476 0.000 1.321 359 W CB -0.163 28.903 29.460 -0.657 0.000 1.143 359 W HN 0.147 nan 8.180 nan 0.000 0.501 360 D N 0.620 121.025 120.400 0.009 0.000 2.265 360 D HA -0.151 3.829 4.640 -1.100 0.000 0.208 360 D C 1.531 177.705 176.300 -0.210 0.000 0.977 360 D CA 1.305 55.248 54.000 -0.095 0.000 0.871 360 D CB -0.244 40.528 40.800 -0.045 0.000 0.925 360 D HN 0.099 nan 8.370 nan 0.000 0.485 361 K N 0.519 120.748 120.400 -0.283 0.000 2.437 361 K HA 0.119 3.780 4.320 -1.100 0.000 0.205 361 K C 1.439 177.926 176.600 -0.189 0.000 1.026 361 K CA -0.093 56.040 56.287 -0.257 0.000 1.153 361 K CB 0.461 32.719 32.500 -0.404 0.000 0.863 361 K HN 0.331 nan 8.250 nan 0.000 0.502 362 R N -0.680 119.636 120.500 -0.308 0.000 2.285 362 R HA -0.037 3.643 4.340 -1.100 0.000 0.213 362 R C 0.449 176.481 176.300 -0.447 0.000 1.068 362 R CA 1.028 56.916 56.100 -0.353 0.000 1.004 362 R CB -0.326 29.651 30.300 -0.539 0.000 0.873 362 R HN 0.048 nan 8.270 nan 0.000 0.467 363 Y N 0.945 121.176 120.300 -0.116 0.000 2.457 363 Y HA 0.369 4.259 4.550 -1.099 0.000 0.263 363 Y C 0.544 176.405 175.900 -0.066 0.000 1.164 363 Y CA -0.614 57.432 58.100 -0.090 0.000 1.274 363 Y CB 0.562 38.962 38.460 -0.101 0.000 1.097 363 Y HN -0.050 nan 8.280 nan 0.000 0.523 364 I N 2.775 123.361 120.570 0.027 0.000 2.310 364 I HA 0.164 3.674 4.170 -1.100 0.000 0.287 364 I C -1.605 174.509 176.117 -0.005 0.000 1.073 364 I CA -1.887 59.423 61.300 0.018 0.000 1.216 364 I CB 1.354 39.358 38.000 0.007 0.000 1.415 364 I HN -0.075 nan 8.210 nan 0.000 0.480 365 P HA -0.207 nan 4.420 nan 0.000 0.217 365 P C 1.692 178.957 177.300 -0.059 0.000 1.158 365 P CA 1.489 64.573 63.100 -0.027 0.000 0.887 365 P CB 0.149 31.841 31.700 -0.013 0.000 0.792 366 G N -0.106 108.670 108.800 -0.040 0.000 2.485 366 G HA2 -0.247 3.053 3.960 -1.100 0.000 0.221 366 G HA3 -0.247 3.053 3.960 -1.100 0.000 0.221 366 G C 1.459 176.318 174.900 -0.068 0.000 1.115 366 G CA 0.633 45.701 45.100 -0.053 0.000 0.751 366 G HN 0.250 nan 8.290 nan 0.000 0.567 367 E N -0.125 120.060 120.200 -0.023 0.000 2.442 367 E HA 0.045 3.735 4.350 -1.100 0.000 0.195 367 E C 0.861 177.442 176.600 -0.032 0.000 1.030 367 E CA 0.008 56.439 56.400 0.052 0.000 0.869 367 E CB 0.343 30.125 29.700 0.135 0.000 0.857 367 E HN 0.237 nan 8.360 nan 0.000 0.505 368 V N 2.571 122.386 119.914 -0.165 0.000 2.153 368 V HA 0.079 3.539 4.120 -1.100 0.000 0.250 368 V C 0.803 176.473 176.094 -0.706 0.000 1.334 368 V CA 0.372 62.524 62.300 -0.246 0.000 1.249 368 V CB -0.257 31.466 31.823 -0.167 0.000 1.371 368 V HN 0.028 nan 8.190 nan 0.000 0.498 369 K N 1.995 121.756 120.400 -1.065 0.000 2.387 369 K HA 0.234 3.894 4.320 -1.100 0.000 0.203 369 K C 0.381 175.720 176.600 -2.102 0.000 1.030 369 K CA -0.066 55.090 56.287 -1.885 0.000 1.099 369 K CB 0.541 31.891 32.500 -1.916 0.000 0.863 369 K HN 0.579 nan 8.250 nan 0.000 0.529 370 W N -0.631 120.241 121.300 -0.713 0.000 4.482 370 W HA 0.231 4.231 4.660 -1.100 0.000 0.251 370 W C -0.274 175.441 176.519 -1.340 0.000 3.462 370 W CA -0.410 56.336 57.345 -0.999 0.000 1.160 370 W CB -0.629 28.664 29.460 -0.277 0.000 2.112 370 W HN -0.142 nan 8.180 nan 0.000 0.353 371 W N 2.240 123.465 121.300 -0.125 0.000 2.375 371 W HA 0.266 4.266 4.660 -1.100 0.000 0.336 371 W C 0.142 176.446 176.519 -0.358 0.000 1.160 371 W CA -0.015 57.130 57.345 -0.333 0.000 1.266 371 W CB 0.476 29.679 29.460 -0.428 0.000 1.195 371 W HN -0.246 nan 8.180 nan 0.000 0.599 372 D N 1.900 122.215 120.400 -0.142 0.000 2.499 372 D HA 0.077 4.057 4.640 -1.100 0.000 0.225 372 D C 0.262 176.566 176.300 0.006 0.000 1.124 372 D CA -0.539 53.439 54.000 -0.036 0.000 0.938 372 D CB 0.031 40.839 40.800 0.014 0.000 1.014 372 D HN 0.406 nan 8.370 nan 0.000 0.517 373 W N 2.267 123.661 121.300 0.157 0.000 2.374 373 W HA -0.118 3.883 4.660 -1.099 0.000 0.288 373 W C 1.957 178.470 176.519 -0.009 0.000 1.218 373 W CA 0.061 57.480 57.345 0.124 0.000 1.245 373 W CB -0.156 29.353 29.460 0.081 0.000 1.126 373 W HN 0.345 nan 8.180 nan 0.000 0.545 374 N N -0.831 117.905 118.700 0.060 0.000 2.223 374 N HA -0.207 3.873 4.740 -1.100 0.000 0.185 374 N C 1.272 176.834 175.510 0.087 0.000 1.016 374 N CA 1.435 54.467 53.050 -0.030 0.000 0.863 374 N CB -1.018 37.421 38.487 -0.080 0.000 0.983 374 N HN 0.333 nan 8.380 nan 0.000 0.429 375 W N 2.110 123.407 121.300 -0.004 0.000 2.374 375 W HA -0.159 3.841 4.660 -1.100 0.000 0.288 375 W C 2.296 178.820 176.519 0.007 0.000 1.218 375 W CA 2.267 59.619 57.345 0.012 0.000 1.245 375 W CB -0.457 29.061 29.460 0.096 0.000 1.126 375 W HN 0.101 nan 8.180 nan 0.000 0.545 376 T N -1.966 112.704 114.554 0.193 0.000 2.951 376 T HA -0.152 3.538 4.350 -1.100 0.000 0.268 376 T C 1.765 176.400 174.700 -0.109 0.000 1.073 376 T CA 1.524 63.637 62.100 0.023 0.000 1.134 376 T CB -0.572 68.425 68.868 0.215 0.000 0.884 376 T HN 0.258 nan 8.240 nan 0.000 0.479 377 I N 1.163 121.723 120.570 -0.018 0.000 2.286 377 I HA -0.128 3.383 4.170 -1.100 0.000 0.245 377 I C 3.014 179.052 176.117 -0.132 0.000 1.104 377 I CA 1.147 62.425 61.300 -0.036 0.000 1.397 377 I CB -0.379 37.619 38.000 -0.004 0.000 1.072 377 I HN 0.249 nan 8.210 nan 0.000 0.417 378 Q N 0.291 119.984 119.800 -0.180 0.000 2.112 378 Q HA -0.272 3.408 4.340 -1.100 0.000 0.206 378 Q C 2.270 178.066 176.000 -0.340 0.000 0.987 378 Q CA 1.490 57.151 55.803 -0.237 0.000 0.858 378 Q CB -0.133 28.454 28.738 -0.251 0.000 0.905 378 Q HN 0.499 nan 8.270 nan 0.000 0.420 379 Q N -0.090 119.396 119.800 -0.523 0.000 2.123 379 Q HA -0.067 3.613 4.340 -1.100 0.000 0.199 379 Q C 0.770 176.593 176.000 -0.296 0.000 0.966 379 Q CA 1.331 56.820 55.803 -0.524 0.000 0.845 379 Q CB 0.106 28.354 28.738 -0.817 0.000 0.907 379 Q HN 0.487 nan 8.270 nan 0.000 0.439 380 N N -1.478 117.063 118.700 -0.266 0.000 2.145 380 N HA 0.287 4.367 4.740 -1.100 0.000 0.219 380 N C -0.321 175.099 175.510 -0.150 0.000 1.266 380 N CA 0.429 53.349 53.050 -0.217 0.000 0.902 380 N CB 1.832 40.083 38.487 -0.394 0.000 1.078 380 N HN 0.195 nan 8.380 nan 0.000 0.513 381 G N 0.867 109.595 108.800 -0.119 0.000 2.721 381 G HA2 -0.209 3.091 3.960 -1.100 0.000 0.686 381 G HA3 -0.209 3.091 3.960 -1.100 0.000 0.686 381 G C 0.135 175.023 174.900 -0.019 0.000 1.236 381 G CA -0.454 44.610 45.100 -0.061 0.000 0.786 381 G HN 0.108 nan 8.290 nan 0.000 0.616 382 L N 1.783 123.025 121.223 0.031 0.000 2.027 382 L HA 0.079 3.759 4.340 -1.100 0.000 0.206 382 L C 2.882 179.809 176.870 0.095 0.000 1.074 382 L CA 3.088 57.998 54.840 0.117 0.000 0.745 382 L CB -0.965 41.165 42.059 0.118 0.000 0.898 382 L HN 0.896 nan 8.230 nan 0.000 0.433 383 S N -0.799 114.923 115.700 0.038 0.000 2.401 383 S HA -0.312 3.498 4.470 -1.100 0.000 0.236 383 S C 1.859 176.438 174.600 -0.034 0.000 1.058 383 S CA 2.346 60.548 58.200 0.003 0.000 1.151 383 S CB -0.728 62.465 63.200 -0.012 0.000 1.049 383 S HN 0.668 nan 8.310 nan 0.000 0.432 384 T N 2.251 116.767 114.554 -0.062 0.000 2.720 384 T HA -0.067 3.624 4.350 -1.100 0.000 0.268 384 T C 1.868 176.488 174.700 -0.133 0.000 1.037 384 T CA 1.377 63.414 62.100 -0.104 0.000 1.144 384 T CB -0.259 68.519 68.868 -0.150 0.000 0.864 384 T HN 0.240 nan 8.240 nan 0.000 0.444 385 M N 1.147 120.668 119.600 -0.131 0.000 2.132 385 M HA -0.010 3.810 4.480 -1.100 0.000 0.263 385 M C 2.295 178.457 176.300 -0.230 0.000 1.065 385 M CA 1.358 56.586 55.300 -0.120 0.000 1.122 385 M CB -1.308 31.356 32.600 0.107 0.000 1.365 385 M HN 0.318 nan 8.290 nan 0.000 0.411 386 Q N 0.273 119.969 119.800 -0.173 0.000 2.084 386 Q HA -0.163 3.518 4.340 -1.100 0.000 0.202 386 Q C 1.730 177.594 176.000 -0.228 0.000 0.978 386 Q CA 1.627 57.268 55.803 -0.270 0.000 0.844 386 Q CB -0.237 28.439 28.738 -0.104 0.000 0.898 386 Q HN 0.663 nan 8.270 nan 0.000 0.426 387 N N 0.196 118.813 118.700 -0.139 0.000 2.300 387 N HA -0.104 3.976 4.740 -1.100 0.000 0.179 387 N C 1.561 177.008 175.510 -0.105 0.000 1.016 387 N CA 0.566 53.549 53.050 -0.111 0.000 0.876 387 N CB -0.030 38.410 38.487 -0.079 0.000 0.979 387 N HN 0.249 nan 8.380 nan 0.000 0.432 388 N N 1.501 120.153 118.700 -0.081 0.000 2.106 388 N HA -0.099 3.981 4.740 -1.100 0.000 0.188 388 N C 1.564 177.020 175.510 -0.090 0.000 1.029 388 N CA 0.871 53.911 53.050 -0.015 0.000 0.848 388 N CB 0.021 38.617 38.487 0.183 0.000 1.007 388 N HN 0.199 nan 8.380 nan 0.000 0.423 389 L N 0.733 121.836 121.223 -0.199 0.000 2.156 389 L HA -0.001 3.679 4.340 -1.100 0.000 0.208 389 L C 2.714 179.412 176.870 -0.287 0.000 1.095 389 L CA 0.794 55.447 54.840 -0.313 0.000 0.770 389 L CB -0.450 41.255 42.059 -0.590 0.000 0.914 389 L HN 0.200 nan 8.230 nan 0.000 0.439 390 A N 0.010 122.678 122.820 -0.252 0.000 1.972 390 A HA -0.158 3.502 4.320 -1.100 0.000 0.219 390 A C 2.415 179.920 177.584 -0.131 0.000 1.169 390 A CA 1.189 53.109 52.037 -0.195 0.000 0.635 390 A CB -0.301 18.604 19.000 -0.159 0.000 0.810 390 A HN 0.268 nan 8.150 nan 0.000 0.446 391 R N -0.743 119.690 120.500 -0.111 0.000 2.075 391 R HA -0.004 3.676 4.340 -1.100 0.000 0.226 391 R C 2.088 178.347 176.300 -0.067 0.000 1.114 391 R CA 1.274 57.331 56.100 -0.070 0.000 0.972 391 R CB -0.910 29.355 30.300 -0.058 0.000 0.869 391 R HN 0.410 nan 8.270 nan 0.000 0.437 392 V N 1.769 121.623 119.914 -0.101 0.000 2.392 392 V HA -0.182 3.278 4.120 -1.100 0.000 0.249 392 V C 2.151 178.201 176.094 -0.074 0.000 1.059 392 V CA 1.504 63.740 62.300 -0.108 0.000 1.051 392 V CB -0.311 31.424 31.823 -0.146 0.000 0.658 392 V HN 0.242 nan 8.190 nan 0.000 0.455 393 L N -0.450 120.705 121.223 -0.114 0.000 2.611 393 L HA 0.147 3.827 4.340 -1.100 0.000 0.229 393 L C 1.315 178.149 176.870 -0.061 0.000 1.137 393 L CA -0.051 54.722 54.840 -0.111 0.000 0.901 393 L CB -0.239 41.717 42.059 -0.171 0.000 1.098 393 L HN 0.204 nan 8.230 nan 0.000 0.456 394 R N 2.519 123.004 120.500 -0.025 0.000 2.538 394 R HA 0.084 3.764 4.340 -1.100 0.000 0.282 394 R C -2.244 174.078 176.300 0.036 0.000 1.009 394 R CA -1.263 54.836 56.100 -0.001 0.000 1.063 394 R CB 0.446 30.755 30.300 0.015 0.000 0.945 394 R HN -0.112 nan 8.270 nan 0.000 0.414 395 P HA 0.051 nan 4.420 nan 0.000 0.271 395 P C -1.140 176.203 177.300 0.073 0.000 1.220 395 P CA -0.219 62.905 63.100 0.039 0.000 0.768 395 P CB 1.019 32.727 31.700 0.014 0.000 0.848 396 V N 5.519 125.503 119.914 0.116 0.000 2.417 396 V HA 0.458 3.918 4.120 -1.100 0.000 0.291 396 V C 0.417 176.589 176.094 0.131 0.000 1.024 396 V CA -0.470 61.915 62.300 0.141 0.000 0.861 396 V CB 1.382 33.346 31.823 0.235 0.000 0.985 396 V HN 0.488 nan 8.190 nan 0.000 0.436 397 R N 2.538 123.097 120.500 0.098 0.000 2.854 397 R HA 0.909 4.589 4.340 -1.100 0.000 0.271 397 R C -0.719 175.632 176.300 0.086 0.000 0.996 397 R CA -0.537 55.619 56.100 0.094 0.000 0.961 397 R CB 2.247 32.581 30.300 0.057 0.000 1.182 397 R HN 0.804 nan 8.270 nan 0.000 0.479 398 A N 0.489 123.362 122.820 0.089 0.000 2.365 398 A HA 0.743 4.403 4.320 -1.100 0.000 0.318 398 A C -0.336 177.269 177.584 0.036 0.000 1.091 398 A CA -0.748 51.321 52.037 0.054 0.000 0.763 398 A CB 1.650 20.680 19.000 0.051 0.000 1.248 398 A HN 0.738 nan 8.150 nan 0.000 0.442 399 G N 0.862 109.678 108.800 0.026 0.000 2.390 399 G HA2 0.526 3.826 3.960 -1.100 0.000 0.270 399 G HA3 0.526 3.826 3.960 -1.100 0.000 0.270 399 G C -0.462 174.472 174.900 0.058 0.000 1.211 399 G CA -0.240 44.885 45.100 0.042 0.000 0.842 399 G HN 0.497 nan 8.290 nan 0.000 0.519 400 I N 2.303 122.924 120.570 0.086 0.000 2.410 400 I HA 0.356 3.866 4.170 -1.100 0.000 0.286 400 I C 0.429 176.674 176.117 0.214 0.000 1.009 400 I CA -0.531 60.837 61.300 0.114 0.000 1.111 400 I CB 0.984 38.957 38.000 -0.046 0.000 1.262 400 I HN 0.609 nan 8.210 nan 0.000 0.443 401 T N 1.904 116.540 114.554 0.137 0.000 2.930 401 T HA 0.989 4.679 4.350 -1.100 0.000 0.290 401 T C -0.115 174.394 174.700 -0.317 0.000 1.052 401 T CA -0.749 61.261 62.100 -0.150 0.000 1.017 401 T CB 2.902 71.738 68.868 -0.053 0.000 1.137 401 T HN 0.990 nan 8.240 nan 0.000 0.511 402 G N 0.359 108.691 108.800 -0.781 0.000 2.313 402 G HA2 0.444 3.744 3.960 -1.100 0.000 0.296 402 G HA3 0.444 3.744 3.960 -1.100 0.000 0.296 402 G C -2.270 172.629 174.900 -0.002 0.000 1.356 402 G CA -0.844 44.110 45.100 -0.242 0.000 0.833 402 G HN 0.756 nan 8.290 nan 0.000 0.552 403 D N -0.347 120.267 120.400 0.356 0.000 2.163 403 D HA 0.628 4.608 4.640 -1.100 0.000 0.248 403 D C -1.036 175.615 176.300 0.584 0.000 1.035 403 D CA 0.053 54.309 54.000 0.427 0.000 0.872 403 D CB 2.288 43.216 40.800 0.213 0.000 1.183 403 D HN 0.237 nan 8.370 nan 0.000 0.445 404 F N 0.795 120.931 119.950 0.311 0.000 2.522 404 F HA 0.504 4.371 4.527 -1.099 0.000 0.324 404 F C -0.553 175.145 175.800 -0.171 0.000 1.077 404 F CA -0.407 57.610 58.000 0.027 0.000 0.944 404 F CB 1.758 40.729 39.000 -0.048 0.000 1.175 404 F HN 0.099 nan 8.300 nan 0.000 0.468 405 S N 3.498 118.529 115.700 -1.116 0.000 2.603 405 S HA 0.844 4.655 4.470 -1.100 0.000 0.274 405 S C -1.439 172.635 174.600 -0.876 0.000 1.168 405 S CA -0.212 57.509 58.200 -0.799 0.000 0.963 405 S CB 0.936 63.920 63.200 -0.360 0.000 1.078 405 S HN 1.135 nan 8.310 nan 0.000 0.477 406 A N 3.000 125.474 122.820 -0.578 0.000 2.527 406 A HA 0.930 4.590 4.320 -1.100 0.000 0.293 406 A C -1.040 176.495 177.584 -0.082 0.000 1.117 406 A CA -0.661 51.207 52.037 -0.280 0.000 0.723 406 A CB 1.752 20.641 19.000 -0.185 0.000 1.313 406 A HN 0.802 nan 8.150 nan 0.000 0.411 407 E N 0.138 120.326 120.200 -0.020 0.000 2.321 407 E HA 0.662 4.353 4.350 -1.100 0.000 0.278 407 E C -1.099 175.534 176.600 0.055 0.000 0.902 407 E CA -0.312 56.103 56.400 0.025 0.000 0.758 407 E CB 1.929 31.624 29.700 -0.008 0.000 1.213 407 E HN 1.084 nan 8.360 nan 0.000 0.426 408 S N 2.664 118.429 115.700 0.109 0.000 2.596 408 S HA 0.508 4.318 4.470 -1.100 0.000 0.270 408 S C -0.910 173.784 174.600 0.156 0.000 1.155 408 S CA -1.004 57.274 58.200 0.131 0.000 0.827 408 S CB 1.842 65.164 63.200 0.203 0.000 1.130 408 S HN 0.586 nan 8.310 nan 0.000 0.467 409 Q N 0.153 120.016 119.800 0.104 0.000 2.394 409 Q HA 0.839 4.520 4.340 -1.100 0.000 0.273 409 Q C -1.502 174.622 176.000 0.207 0.000 1.089 409 Q CA -0.809 54.991 55.803 -0.006 0.000 0.812 409 Q CB 2.091 30.643 28.738 -0.311 0.000 1.353 409 Q HN 0.740 nan 8.270 nan 0.000 0.438 410 F N -1.239 118.883 119.950 0.286 0.000 2.773 410 F HA 0.878 4.746 4.527 -1.099 0.000 0.314 410 F C -1.671 174.357 175.800 0.381 0.000 1.160 410 F CA -1.434 56.740 58.000 0.289 0.000 0.920 410 F CB 0.776 39.889 39.000 0.188 0.000 1.323 410 F HN 0.475 nan 8.300 nan 0.000 0.457 411 A N 0.946 124.079 122.820 0.522 0.000 2.330 411 A HA 0.783 4.443 4.320 -1.100 0.000 0.327 411 A C 0.201 178.051 177.584 0.444 0.000 1.155 411 A CA -0.349 51.895 52.037 0.344 0.000 0.803 411 A CB 0.570 19.680 19.000 0.183 0.000 1.208 411 A HN 1.519 nan 8.150 nan 0.000 0.477 412 G N 1.062 110.130 108.800 0.447 0.000 2.712 412 G HA2 0.314 3.614 3.960 -1.100 0.000 0.258 412 G HA3 0.314 3.614 3.960 -1.100 0.000 0.258 412 G C -0.013 175.008 174.900 0.201 0.000 1.241 412 G CA -0.549 44.780 45.100 0.383 0.000 0.923 412 G HN 0.868 nan 8.290 nan 0.000 0.548 413 N N -0.814 117.974 118.700 0.147 0.000 2.492 413 N HA 0.138 4.218 4.740 -1.100 0.000 0.262 413 N C 0.368 175.919 175.510 0.068 0.000 1.202 413 N CA -0.150 52.955 53.050 0.091 0.000 0.926 413 N CB 1.023 39.551 38.487 0.068 0.000 1.078 413 N HN 0.326 nan 8.380 nan 0.000 0.454 414 I N 1.786 122.386 120.570 0.049 0.000 2.742 414 I HA -0.102 3.408 4.170 -1.100 0.000 0.287 414 I C 0.520 176.649 176.117 0.020 0.000 1.186 414 I CA 0.842 62.157 61.300 0.025 0.000 1.417 414 I CB -0.057 37.956 38.000 0.021 0.000 1.377 414 I HN 0.431 nan 8.210 nan 0.000 0.556 415 E N 6.065 126.268 120.200 0.005 0.000 2.191 415 E HA 0.599 4.289 4.350 -1.100 0.000 0.274 415 E C -0.981 175.608 176.600 -0.019 0.000 0.948 415 E CA -0.901 55.500 56.400 0.001 0.000 0.802 415 E CB 2.720 32.422 29.700 0.004 0.000 1.137 415 E HN 0.345 nan 8.360 nan 0.000 0.397 416 I N 1.239 121.804 120.570 -0.008 0.000 2.569 416 I HA 0.395 3.906 4.170 -1.100 0.000 0.296 416 I C 0.259 176.373 176.117 -0.005 0.000 1.028 416 I CA -0.107 61.189 61.300 -0.007 0.000 1.082 416 I CB 2.017 40.025 38.000 0.013 0.000 1.264 416 I HN 0.570 nan 8.210 nan 0.000 0.429 417 G N 3.585 112.380 108.800 -0.008 0.000 2.705 417 G HA2 0.692 3.992 3.960 -1.100 0.000 0.299 417 G HA3 0.692 3.992 3.960 -1.100 0.000 0.299 417 G C -0.917 174.007 174.900 0.039 0.000 1.315 417 G CA -0.714 44.389 45.100 0.004 0.000 1.045 417 G HN 0.820 nan 8.290 nan 0.000 0.517 418 A N 1.406 124.255 122.820 0.048 0.000 2.522 418 A HA 0.478 4.138 4.320 -1.100 0.000 0.256 418 A C -1.711 175.934 177.584 0.101 0.000 1.086 418 A CA -0.737 51.337 52.037 0.063 0.000 0.763 418 A CB -0.422 18.611 19.000 0.055 0.000 1.024 418 A HN 0.441 nan 8.150 nan 0.000 0.502 419 P HA 0.197 nan 4.420 nan 0.000 0.264 419 P C -0.498 176.851 177.300 0.082 0.000 1.193 419 P CA 0.235 63.392 63.100 0.095 0.000 0.763 419 P CB 0.806 32.541 31.700 0.057 0.000 0.810 420 V N 5.752 125.716 119.914 0.083 0.000 2.960 420 V HA 0.488 3.948 4.120 -1.100 0.000 0.315 420 V C -2.211 173.870 176.094 -0.022 0.000 1.087 420 V CA -2.167 60.154 62.300 0.035 0.000 0.982 420 V CB 2.265 34.117 31.823 0.048 0.000 1.039 420 V HN 0.505 nan 8.190 nan 0.000 0.437 421 P HA 0.409 nan 4.420 nan 0.000 0.281 421 P C -0.844 176.394 177.300 -0.103 0.000 1.264 421 P CA -0.556 62.510 63.100 -0.057 0.000 0.824 421 P CB 0.688 32.364 31.700 -0.039 0.000 1.092 441 L N 1.339 122.503 121.223 -0.099 0.000 2.439 441 L HA 0.780 4.461 4.340 -1.100 0.000 0.261 441 L C 0.496 177.386 176.870 0.033 0.000 1.153 441 L CA -0.778 54.036 54.840 -0.044 0.000 0.808 441 L CB 1.132 43.176 42.059 -0.025 0.000 1.126 441 L HN 0.225 nan 8.230 nan 0.000 0.460 442 R N 3.672 124.190 120.500 0.031 0.000 2.534 442 R HA 0.592 4.272 4.340 -1.100 0.000 0.301 442 R C -1.624 174.716 176.300 0.066 0.000 0.961 442 R CA -0.666 55.462 56.100 0.047 0.000 0.871 442 R CB 0.970 31.289 30.300 0.032 0.000 1.170 442 R HN 0.671 nan 8.270 nan 0.000 0.446 443 L N 3.297 124.561 121.223 0.068 0.000 2.357 443 L HA 0.428 4.108 4.340 -1.100 0.000 0.273 443 L C -0.141 176.778 176.870 0.082 0.000 1.080 443 L CA -0.354 54.532 54.840 0.078 0.000 0.803 443 L CB 1.583 43.679 42.059 0.062 0.000 1.174 443 L HN 0.722 nan 8.230 nan 0.000 0.443 444 E N 4.320 124.586 120.200 0.110 0.000 2.908 444 E HA 0.414 4.104 4.350 -1.100 0.000 0.291 444 E C -1.320 175.351 176.600 0.118 0.000 1.154 444 E CA -0.010 56.463 56.400 0.122 0.000 0.784 444 E CB 1.286 31.087 29.700 0.168 0.000 1.500 444 E HN 0.421 nan 8.360 nan 0.000 0.382 445 I N 2.509 123.114 120.570 0.057 0.000 2.560 445 I HA 0.264 3.774 4.170 -1.100 0.000 0.278 445 I C -2.510 173.609 176.117 0.003 0.000 1.089 445 I CA -1.926 59.380 61.300 0.011 0.000 1.086 445 I CB 1.595 39.590 38.000 -0.009 0.000 1.202 445 I HN 0.105 nan 8.210 nan 0.000 0.471 446 P HA 0.292 nan 4.420 nan 0.000 0.271 446 P C -0.905 176.384 177.300 -0.019 0.000 1.220 446 P CA -0.047 63.052 63.100 -0.002 0.000 0.768 446 P CB 0.619 32.320 31.700 0.000 0.000 0.848 447 L N 3.017 124.232 121.223 -0.014 0.000 2.324 447 L HA 0.260 3.940 4.340 -1.100 0.000 0.274 447 L C 0.363 177.225 176.870 -0.014 0.000 1.012 447 L CA -0.579 54.248 54.840 -0.021 0.000 0.859 447 L CB 1.234 43.286 42.059 -0.013 0.000 1.224 447 L HN 0.304 nan 8.230 nan 0.000 0.429 448 D N 3.088 123.475 120.400 -0.021 0.000 2.455 448 D HA 0.138 4.119 4.640 -1.100 0.000 0.234 448 D C 1.175 177.473 176.300 -0.003 0.000 1.224 448 D CA 0.095 54.088 54.000 -0.012 0.000 0.999 448 D CB 1.452 42.241 40.800 -0.018 0.000 1.072 448 D HN 0.646 nan 8.370 nan 0.000 0.514 449 A N 4.091 126.913 122.820 0.004 0.000 1.971 449 A HA -0.260 3.400 4.320 -1.100 0.000 0.222 449 A C 2.003 179.599 177.584 0.020 0.000 1.182 449 A CA 1.424 53.470 52.037 0.015 0.000 0.649 449 A CB -0.165 18.844 19.000 0.015 0.000 0.818 449 A HN 0.568 nan 8.150 nan 0.000 0.458 450 Q N -1.315 118.493 119.800 0.013 0.000 2.163 450 Q HA -0.103 3.578 4.340 -1.100 0.000 0.198 450 Q C 2.063 178.074 176.000 0.017 0.000 0.954 450 Q CA 1.340 57.152 55.803 0.014 0.000 0.851 450 Q CB -0.143 28.600 28.738 0.008 0.000 0.928 450 Q HN 0.934 nan 8.270 nan 0.000 0.459 451 E N 0.773 120.980 120.200 0.012 0.000 2.046 451 E HA -0.118 3.572 4.350 -1.100 0.000 0.190 451 E C 2.134 178.755 176.600 0.036 0.000 0.982 451 E CA 0.377 56.784 56.400 0.012 0.000 0.800 451 E CB 0.049 29.744 29.700 -0.007 0.000 0.756 451 E HN 0.206 nan 8.360 nan 0.000 0.449 452 L N 0.674 121.919 121.223 0.037 0.000 2.012 452 L HA -0.202 3.478 4.340 -1.100 0.000 0.210 452 L C 2.839 179.803 176.870 0.156 0.000 1.073 452 L CA 1.456 56.355 54.840 0.099 0.000 0.748 452 L CB -0.609 41.491 42.059 0.069 0.000 0.891 452 L HN 0.188 nan 8.230 nan 0.000 0.431 453 S N 0.156 115.909 115.700 0.088 0.000 2.368 453 S HA -0.149 3.661 4.470 -1.100 0.000 0.225 453 S C 2.088 176.719 174.600 0.052 0.000 1.030 453 S CA 1.403 59.642 58.200 0.066 0.000 0.999 453 S CB -0.602 62.621 63.200 0.038 0.000 0.844 453 S HN 0.501 nan 8.310 nan 0.000 0.459 454 G N 1.290 110.117 108.800 0.045 0.000 2.450 454 G HA2 -0.085 3.215 3.960 -1.100 0.000 0.220 454 G HA3 -0.085 3.215 3.960 -1.100 0.000 0.220 454 G C 1.383 176.309 174.900 0.044 0.000 1.130 454 G CA 0.789 45.908 45.100 0.032 0.000 0.760 454 G HN 0.543 nan 8.290 nan 0.000 0.557 455 L N -0.001 121.279 121.223 0.096 0.000 2.478 455 L HA 0.194 3.874 4.340 -1.100 0.000 0.223 455 L C 2.132 179.058 176.870 0.094 0.000 1.140 455 L CA 0.644 55.575 54.840 0.151 0.000 0.842 455 L CB 0.010 42.234 42.059 0.275 0.000 0.953 455 L HN 0.441 nan 8.230 nan 0.000 0.452 456 G N -0.586 108.221 108.800 0.011 0.000 2.179 456 G HA2 -0.268 3.033 3.960 -1.100 0.000 0.220 456 G HA3 -0.268 3.033 3.960 -1.100 0.000 0.220 456 G C -0.033 174.649 174.900 -0.363 0.000 0.990 456 G CA -0.586 44.402 45.100 -0.186 0.000 0.646 456 G HN 0.163 nan 8.290 nan 0.000 0.517 457 F N 2.029 121.970 119.950 -0.015 0.000 2.332 457 F HA 0.522 4.389 4.527 -1.100 0.000 0.368 457 F C 0.543 176.340 175.800 -0.005 0.000 1.110 457 F CA -0.929 57.066 58.000 -0.009 0.000 1.087 457 F CB 0.980 39.968 39.000 -0.020 0.000 1.235 457 F HN 0.045 nan 8.300 nan 0.000 0.470 458 N N 1.308 120.070 118.700 0.102 0.000 2.477 458 N HA 0.317 4.397 4.740 -1.100 0.000 0.284 458 N C -0.682 174.869 175.510 0.069 0.000 1.182 458 N CA -1.210 51.880 53.050 0.066 0.000 0.949 458 N CB 0.541 39.041 38.487 0.021 0.000 1.204 458 N HN 0.489 nan 8.380 nan 0.000 0.526 459 N N -1.019 117.710 118.700 0.049 0.000 2.702 459 N HA -0.181 3.899 4.740 -1.100 0.000 0.261 459 N C -1.233 174.308 175.510 0.052 0.000 0.965 459 N CA -0.051 53.025 53.050 0.042 0.000 0.795 459 N CB -0.981 37.526 38.487 0.032 0.000 0.909 459 N HN 0.098 nan 8.380 nan 0.000 0.546 460 V N 0.294 120.243 119.914 0.058 0.000 2.583 460 V HA 0.563 4.024 4.120 -1.100 0.000 0.287 460 V C 0.650 176.764 176.094 0.034 0.000 1.051 460 V CA -0.141 62.193 62.300 0.055 0.000 1.010 460 V CB 1.478 33.336 31.823 0.058 0.000 0.988 460 V HN 0.497 nan 8.190 nan 0.000 0.478 461 S N 5.301 121.019 115.700 0.031 0.000 2.533 461 S HA 0.688 4.498 4.470 -1.100 0.000 0.271 461 S C -1.418 173.195 174.600 0.023 0.000 1.143 461 S CA -0.821 57.394 58.200 0.024 0.000 0.891 461 S CB 1.389 64.604 63.200 0.025 0.000 1.105 461 S HN 0.507 nan 8.310 nan 0.000 0.468 462 L N 2.641 123.876 121.223 0.020 0.000 2.305 462 L HA 0.751 4.431 4.340 -1.100 0.000 0.284 462 L C -0.189 176.698 176.870 0.028 0.000 1.013 462 L CA -0.367 54.487 54.840 0.022 0.000 0.819 462 L CB 1.878 43.947 42.059 0.017 0.000 1.227 462 L HN 0.888 nan 8.230 nan 0.000 0.417 463 S N 2.637 118.355 115.700 0.030 0.000 2.548 463 S HA 0.721 4.531 4.470 -1.100 0.000 0.286 463 S C -0.885 173.739 174.600 0.040 0.000 1.098 463 S CA -0.614 57.605 58.200 0.032 0.000 0.930 463 S CB 1.872 65.085 63.200 0.022 0.000 1.070 463 S HN 0.284 nan 8.310 nan 0.000 0.480 464 V N 2.571 122.517 119.914 0.054 0.000 2.370 464 V HA 0.903 4.363 4.120 -1.100 0.000 0.279 464 V C 0.084 176.196 176.094 0.031 0.000 1.029 464 V CA -0.363 61.987 62.300 0.083 0.000 0.870 464 V CB 0.294 32.206 31.823 0.149 0.000 0.984 464 V HN 1.009 nan 8.190 nan 0.000 0.451 465 T N 2.587 117.114 114.554 -0.046 0.000 2.942 465 T HA 0.591 4.281 4.350 -1.100 0.000 0.327 465 T C -3.329 171.147 174.700 -0.374 0.000 1.360 465 T CA -1.738 60.238 62.100 -0.208 0.000 1.055 465 T CB 2.266 71.065 68.868 -0.115 0.000 1.261 465 T HN 0.462 nan 8.240 nan 0.000 0.485 466 P HA 0.263 nan 4.420 nan 0.000 0.265 466 P C 0.493 177.660 177.300 -0.223 0.000 1.187 466 P CA -0.037 62.712 63.100 -0.584 0.000 0.766 466 P CB 0.286 31.731 31.700 -0.424 0.000 0.820 467 A N 2.161 124.915 122.820 -0.110 0.000 2.238 467 A HA 0.410 4.070 4.320 -1.100 0.000 0.208 467 A C 0.970 178.541 177.584 -0.021 0.000 1.177 467 A CA 1.061 53.080 52.037 -0.031 0.000 0.804 467 A CB -0.443 18.569 19.000 0.021 0.000 0.823 467 A HN 0.604 nan 8.150 nan 0.000 0.482 468 A N 0.000 122.801 122.820 -0.032 0.000 2.254 468 A HA 0.000 3.660 4.320 -1.100 0.000 0.244 468 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 468 A CB 0.000 19.001 19.000 0.002 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486