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 3ocf_1_A DATA FIRST_RESID 2 DATA SEQUENCE TRREQDSLGE RDIPMDAYFG IQTLRAVENF SLSDVALNHI PALVRALAMV DATA SEQUENCE KKAAATANYK LRQLPEPKYA AIVAACDDII DGLLMEQFVV DVFQGGAGTS DATA SEQUENCE SNMNANEVIA NRALEHLGRP RGDYQTIHPN DDVNMSQSTN DVYPTAVRLA DATA SEQUENCE LLLSQNQVQT ALHRLIAAFE AKGREFATVI KIGRTQLQDA VPITLGQEFE DATA SEQUENCE AFAATLREDT ARLEEVAALF REVNLGGXXX XXXXXXXXAY AEQAIVELSQ DATA SEQUENCE ISGIELKATG NLVEASWDTG AFVTFSGILR RIAVKLSKIA NDLRLLSSGP DATA SEQUENCE RSGLGEIRLP AVQPGSSIMP GKVNPVIPES VNQVCYQVIG NDLTVTMAAE DATA SEQUENCE SGQLQLNAFE PLIVYNILSS MRLLGRAMTN LAERCVDGIE ANVERCRAGA DATA SEQUENCE EESISLATAL VPVVGYARAA EIAKQALASG QTVMEVAISK GLDASALTIM DATA SEQUENCE LDPLR 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.656 174.700 -0.073 0.000 1.109 2 T CA 0.000 62.061 62.100 -0.065 0.000 1.349 2 T CB 0.000 68.841 68.868 -0.044 0.000 0.612 3 R N 0.669 121.119 120.500 -0.083 0.000 2.807 3 R HA 0.809 5.149 4.340 0.001 0.000 0.276 3 R C -0.580 175.682 176.300 -0.063 0.000 0.979 3 R CA -1.277 54.772 56.100 -0.085 0.000 0.928 3 R CB 1.915 32.142 30.300 -0.121 0.000 1.191 3 R HN 0.767 nan 8.270 nan 0.000 0.471 4 R N 1.509 121.977 120.500 -0.054 0.000 2.265 4 R HA 0.208 4.549 4.340 0.001 0.000 0.319 4 R C -0.834 175.453 176.300 -0.023 0.000 1.006 4 R CA -0.248 55.834 56.100 -0.030 0.000 0.880 4 R CB 1.096 31.383 30.300 -0.022 0.000 1.077 4 R HN 0.749 nan 8.270 nan 0.000 0.454 5 E N 2.260 122.465 120.200 0.009 0.000 2.264 5 E HA 0.239 4.590 4.350 0.001 0.000 0.260 5 E C -1.126 175.508 176.600 0.057 0.000 0.961 5 E CA -0.966 55.465 56.400 0.051 0.000 0.834 5 E CB 2.309 32.078 29.700 0.116 0.000 1.230 5 E HN 0.437 nan 8.360 nan 0.000 0.412 6 Q N 1.338 121.187 119.800 0.081 0.000 2.331 6 Q HA 0.221 4.562 4.340 0.001 0.000 0.272 6 Q C -1.785 174.257 176.000 0.070 0.000 1.062 6 Q CA -0.578 55.264 55.803 0.065 0.000 0.806 6 Q CB 1.571 30.346 28.738 0.061 0.000 1.312 6 Q HN 0.582 nan 8.270 nan 0.000 0.431 7 D N -0.117 120.313 120.400 0.049 0.000 2.727 7 D HA 0.178 4.819 4.640 0.001 0.000 0.264 7 D C 0.542 176.864 176.300 0.038 0.000 1.101 7 D CA -0.198 53.828 54.000 0.044 0.000 1.122 7 D CB 0.304 41.120 40.800 0.028 0.000 1.390 7 D HN 0.407 nan 8.370 nan 0.000 0.606 8 S N -1.186 114.534 115.700 0.033 0.000 2.547 8 S HA -0.053 4.418 4.470 0.001 0.000 0.235 8 S C 1.521 176.132 174.600 0.019 0.000 0.980 8 S CA 0.435 58.651 58.200 0.027 0.000 0.941 8 S CB -0.634 62.580 63.200 0.024 0.000 0.763 8 S HN 0.476 nan 8.310 nan 0.000 0.532 9 L N 0.311 121.544 121.223 0.016 0.000 2.513 9 L HA 0.438 4.779 4.340 0.001 0.000 0.222 9 L C 1.408 178.284 176.870 0.010 0.000 1.096 9 L CA 0.431 55.277 54.840 0.010 0.000 0.857 9 L CB 0.239 42.300 42.059 0.004 0.000 1.026 9 L HN 0.650 nan 8.230 nan 0.000 0.469 10 G N -0.258 108.551 108.800 0.015 0.000 2.278 10 G HA2 -0.028 3.933 3.960 0.001 0.000 0.265 10 G HA3 -0.028 3.933 3.960 0.001 0.000 0.265 10 G C -1.442 173.470 174.900 0.019 0.000 1.329 10 G CA -0.833 44.276 45.100 0.015 0.000 1.017 10 G HN 0.011 nan 8.290 nan 0.000 0.472 11 E N 0.209 120.418 120.200 0.015 0.000 2.227 11 E HA 0.743 5.093 4.350 0.001 0.000 0.268 11 E C -0.533 176.075 176.600 0.014 0.000 0.907 11 E CA -0.967 55.444 56.400 0.017 0.000 0.786 11 E CB 1.973 31.680 29.700 0.012 0.000 1.191 11 E HN 0.388 nan 8.360 nan 0.000 0.411 12 R N 1.382 121.894 120.500 0.019 0.000 2.771 12 R HA 0.379 4.720 4.340 0.001 0.000 0.274 12 R C -1.163 175.144 176.300 0.012 0.000 0.987 12 R CA -0.896 55.215 56.100 0.017 0.000 0.908 12 R CB 1.145 31.462 30.300 0.027 0.000 1.213 12 R HN 0.534 nan 8.270 nan 0.000 0.468 13 D N 1.709 122.113 120.400 0.006 0.000 2.256 13 D HA 0.390 5.031 4.640 0.001 0.000 0.250 13 D C -0.033 176.267 176.300 -0.000 0.000 1.093 13 D CA -0.171 53.826 54.000 -0.005 0.000 0.882 13 D CB 1.501 42.295 40.800 -0.009 0.000 1.185 13 D HN 0.200 nan 8.370 nan 0.000 0.437 14 I N 2.796 123.351 120.570 -0.026 0.000 2.465 14 I HA 0.222 4.392 4.170 0.001 0.000 0.291 14 I C -2.369 173.691 176.117 -0.095 0.000 1.014 14 I CA -2.234 59.038 61.300 -0.048 0.000 1.093 14 I CB 2.016 39.968 38.000 -0.081 0.000 1.267 14 I HN -0.010 nan 8.210 nan 0.000 0.431 15 P HA -0.020 nan 4.420 nan 0.000 0.264 15 P C 0.874 178.070 177.300 -0.173 0.000 1.183 15 P CA 0.213 63.249 63.100 -0.106 0.000 0.763 15 P CB 0.546 32.200 31.700 -0.077 0.000 0.807 16 M N 1.914 121.429 119.600 -0.142 0.000 2.279 16 M HA -0.087 4.394 4.480 0.001 0.000 0.264 16 M C 1.573 177.742 176.300 -0.219 0.000 1.062 16 M CA 2.723 57.923 55.300 -0.166 0.000 1.099 16 M CB -2.061 30.465 32.600 -0.124 0.000 1.394 16 M HN 0.466 nan 8.290 nan 0.000 0.426 17 D N 0.207 120.486 120.400 -0.203 0.000 2.340 17 D HA 0.627 5.268 4.640 0.001 0.000 0.220 17 D C 0.917 177.035 176.300 -0.303 0.000 1.039 17 D CA 0.567 54.432 54.000 -0.225 0.000 0.866 17 D CB -0.558 40.172 40.800 -0.116 0.000 0.913 17 D HN 1.111 nan 8.370 nan 0.000 0.523 18 A N -0.787 121.796 122.820 -0.395 0.000 2.401 18 A HA 0.546 4.867 4.320 0.001 0.000 0.259 18 A C 0.432 177.680 177.584 -0.559 0.000 1.103 18 A CA -0.224 51.447 52.037 -0.610 0.000 0.789 18 A CB 0.207 18.468 19.000 -1.232 0.000 1.035 18 A HN 0.441 nan 8.150 nan 0.000 0.491 19 Y N 1.647 121.740 120.300 -0.346 0.000 2.490 19 Y HA 0.089 4.640 4.550 0.002 0.000 0.285 19 Y C 0.907 176.724 175.900 -0.138 0.000 1.117 19 Y CA 0.543 58.540 58.100 -0.172 0.000 1.262 19 Y CB -0.212 38.211 38.460 -0.062 0.000 1.043 19 Y HN 0.746 nan 8.280 nan 0.000 0.553 20 F N -0.299 119.681 119.950 0.050 0.000 2.440 20 F HA 0.611 5.139 4.527 0.001 0.000 0.323 20 F C 0.817 176.627 175.800 0.016 0.000 1.192 20 F CA -0.914 57.071 58.000 -0.025 0.000 1.252 20 F CB -0.051 38.900 39.000 -0.083 0.000 1.214 20 F HN -0.107 nan 8.300 nan 0.000 0.578 21 G N 0.330 109.282 108.800 0.253 0.000 3.119 21 G HA2 0.356 4.317 3.960 0.001 0.000 0.206 21 G HA3 0.356 4.317 3.960 0.001 0.000 0.206 21 G C 0.302 175.324 174.900 0.205 0.000 1.313 21 G CA -0.521 44.687 45.100 0.179 0.000 1.010 21 G HN 0.977 nan 8.290 nan 0.000 0.578 22 I N -0.286 120.361 120.570 0.128 0.000 2.226 22 I HA -0.195 3.976 4.170 0.001 0.000 0.245 22 I C 2.757 178.916 176.117 0.071 0.000 1.100 22 I CA 1.576 62.934 61.300 0.096 0.000 1.374 22 I CB -0.043 37.999 38.000 0.070 0.000 1.057 22 I HN 0.536 nan 8.210 nan 0.000 0.413 23 Q N -0.284 119.544 119.800 0.047 0.000 2.124 23 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 23 Q C 2.061 178.082 176.000 0.034 0.000 0.977 23 Q CA 2.164 57.984 55.803 0.029 0.000 0.850 23 Q CB -0.315 28.429 28.738 0.010 0.000 0.901 23 Q HN 0.518 nan 8.270 nan 0.000 0.429 24 T N 1.720 116.304 114.554 0.052 0.000 2.821 24 T HA -0.122 4.229 4.350 0.001 0.000 0.267 24 T C 1.779 176.447 174.700 -0.053 0.000 1.046 24 T CA 0.853 62.948 62.100 -0.008 0.000 1.139 24 T CB -0.213 68.643 68.868 -0.020 0.000 0.871 24 T HN 0.111 nan 8.240 nan 0.000 0.454 25 L N 1.389 122.646 121.223 0.056 0.000 2.046 25 L HA -0.007 4.334 4.340 0.001 0.000 0.208 25 L C 2.424 179.284 176.870 -0.016 0.000 1.077 25 L CA 1.653 56.523 54.840 0.050 0.000 0.747 25 L CB -0.443 41.712 42.059 0.160 0.000 0.896 25 L HN 0.069 nan 8.230 nan 0.000 0.432 26 R N -0.575 119.914 120.500 -0.018 0.000 2.081 26 R HA -0.101 4.240 4.340 0.001 0.000 0.235 26 R C 2.254 178.468 176.300 -0.142 0.000 1.131 26 R CA 1.264 57.322 56.100 -0.070 0.000 0.960 26 R CB -0.720 29.549 30.300 -0.052 0.000 0.856 26 R HN 0.521 nan 8.270 nan 0.000 0.436 27 A N 0.910 123.682 122.820 -0.080 0.000 1.908 27 A HA -0.138 4.183 4.320 0.001 0.000 0.218 27 A C 2.392 179.950 177.584 -0.042 0.000 1.181 27 A CA 1.568 53.588 52.037 -0.028 0.000 0.627 27 A CB -0.653 18.441 19.000 0.156 0.000 0.818 27 A HN 0.121 nan 8.150 nan 0.000 0.445 28 V N 0.077 119.953 119.914 -0.063 0.000 2.332 28 V HA -0.304 3.817 4.120 0.001 0.000 0.248 28 V C 2.401 178.447 176.094 -0.079 0.000 1.055 28 V CA 2.421 64.681 62.300 -0.066 0.000 1.038 28 V CB -0.874 30.879 31.823 -0.117 0.000 0.651 28 V HN 0.655 nan 8.190 nan 0.000 0.450 29 E N -0.029 120.101 120.200 -0.116 0.000 2.107 29 E HA -0.160 4.191 4.350 0.001 0.000 0.191 29 E C 2.057 178.530 176.600 -0.213 0.000 0.982 29 E CA 1.085 57.408 56.400 -0.128 0.000 0.809 29 E CB -0.156 29.478 29.700 -0.111 0.000 0.756 29 E HN 0.567 nan 8.360 nan 0.000 0.459 30 N N -0.177 118.275 118.700 -0.413 0.000 2.300 30 N HA -0.055 4.686 4.740 0.001 0.000 0.179 30 N C 0.322 175.444 175.510 -0.647 0.000 1.016 30 N CA 0.896 53.510 53.050 -0.727 0.000 0.876 30 N CB 0.229 37.907 38.487 -1.348 0.000 0.979 30 N HN 0.105 nan 8.380 nan 0.000 0.432 31 F N -0.301 119.642 119.950 -0.011 0.000 2.835 31 F HA 0.356 4.884 4.527 0.001 0.000 0.342 31 F C 0.307 176.104 175.800 -0.006 0.000 1.202 31 F CA -0.838 57.162 58.000 -0.000 0.000 1.240 31 F CB -0.183 38.824 39.000 0.012 0.000 1.005 31 F HN -0.364 nan 8.300 nan 0.000 0.507 32 S N 1.623 117.375 115.700 0.085 0.000 2.429 32 S HA 0.394 4.865 4.470 0.001 0.000 0.292 32 S C 0.943 175.561 174.600 0.030 0.000 1.183 32 S CA 0.097 58.325 58.200 0.046 0.000 1.088 32 S CB 0.310 63.511 63.200 0.003 0.000 1.018 32 S HN 0.411 nan 8.310 nan 0.000 0.511 33 L N 2.733 123.970 121.223 0.023 0.000 2.860 33 L HA 0.136 4.477 4.340 0.001 0.000 0.251 33 L C 1.762 178.560 176.870 -0.119 0.000 1.041 33 L CA 0.156 54.965 54.840 -0.051 0.000 0.985 33 L CB 0.054 42.076 42.059 -0.063 0.000 1.656 33 L HN 0.664 nan 8.230 nan 0.000 0.526 34 S N -3.334 112.325 115.700 -0.067 0.000 2.604 34 S HA 0.095 4.566 4.470 0.001 0.000 0.235 34 S C 0.364 174.950 174.600 -0.024 0.000 1.043 34 S CA 0.055 58.211 58.200 -0.073 0.000 0.997 34 S CB 0.472 63.693 63.200 0.036 0.000 0.956 34 S HN 0.293 nan 8.310 nan 0.000 0.535 35 D N 0.672 121.063 120.400 -0.014 0.000 3.039 35 D HA -0.113 4.527 4.640 0.001 0.000 0.222 35 D C -0.666 175.619 176.300 -0.026 0.000 1.179 35 D CA 0.823 54.814 54.000 -0.014 0.000 0.880 35 D CB -1.718 39.071 40.800 -0.019 0.000 1.115 35 D HN 0.449 nan 8.370 nan 0.000 0.416 36 V N 0.347 120.247 119.914 -0.024 0.000 2.334 36 V HA 0.648 4.769 4.120 0.001 0.000 0.281 36 V C 0.709 176.778 176.094 -0.043 0.000 1.016 36 V CA -0.424 61.834 62.300 -0.070 0.000 0.832 36 V CB 1.626 33.371 31.823 -0.130 0.000 0.999 36 V HN 0.306 nan 8.190 nan 0.000 0.439 37 A N 3.788 126.611 122.820 0.005 0.000 2.269 37 A HA 0.669 4.990 4.320 0.001 0.000 0.319 37 A C 0.939 178.564 177.584 0.068 0.000 1.110 37 A CA -0.547 51.508 52.037 0.031 0.000 0.847 37 A CB 0.580 19.606 19.000 0.044 0.000 1.161 37 A HN 0.673 nan 8.150 nan 0.000 0.497 38 L N 0.881 122.149 121.223 0.074 0.000 2.137 38 L HA -0.233 4.108 4.340 0.001 0.000 0.213 38 L C 2.071 179.003 176.870 0.104 0.000 1.085 38 L CA 2.617 57.514 54.840 0.095 0.000 0.760 38 L CB -1.211 40.943 42.059 0.158 0.000 0.893 38 L HN 0.948 nan 8.230 nan 0.000 0.434 39 N N -2.577 116.207 118.700 0.141 0.000 2.573 39 N HA -0.234 4.507 4.740 0.001 0.000 0.187 39 N C 1.687 177.268 175.510 0.119 0.000 1.107 39 N CA 1.302 54.423 53.050 0.118 0.000 0.918 39 N CB -0.734 37.842 38.487 0.149 0.000 0.966 39 N HN 0.505 nan 8.380 nan 0.000 0.448 40 H N 0.405 119.504 119.070 0.048 0.000 2.548 40 H HA 0.226 4.782 4.556 0.000 0.000 0.268 40 H C 0.203 175.573 175.328 0.069 0.000 0.975 40 H CA 0.380 56.466 56.048 0.063 0.000 1.195 40 H CB 0.118 29.932 29.762 0.087 0.000 1.397 40 H HN 0.465 nan 8.280 nan 0.000 0.572 41 I N -1.861 118.725 120.570 0.027 0.000 2.905 41 I HA 0.333 4.503 4.170 0.001 0.000 0.297 41 I C -2.205 173.873 176.117 -0.065 0.000 1.358 41 I CA -2.012 59.267 61.300 -0.036 0.000 0.975 41 I CB 1.716 39.742 38.000 0.044 0.000 1.857 41 I HN -0.132 nan 8.210 nan 0.000 0.612 42 P HA -0.174 nan 4.420 nan 0.000 0.222 42 P C 1.575 178.797 177.300 -0.131 0.000 1.147 42 P CA 1.488 64.521 63.100 -0.111 0.000 0.790 42 P CB 0.440 32.089 31.700 -0.086 0.000 0.780 43 A N 0.131 122.884 122.820 -0.112 0.000 1.933 43 A HA -0.167 4.154 4.320 0.001 0.000 0.218 43 A C 2.179 179.682 177.584 -0.136 0.000 1.175 43 A CA 1.406 53.374 52.037 -0.115 0.000 0.628 43 A CB -1.502 17.437 19.000 -0.102 0.000 0.814 43 A HN 0.198 nan 8.150 nan 0.000 0.444 44 L N -0.292 120.849 121.223 -0.136 0.000 2.109 44 L HA -0.047 4.294 4.340 0.001 0.000 0.207 44 L C 2.355 179.123 176.870 -0.171 0.000 1.086 44 L CA 1.576 56.329 54.840 -0.145 0.000 0.760 44 L CB -0.461 41.533 42.059 -0.108 0.000 0.910 44 L HN 0.142 nan 8.230 nan 0.000 0.437 45 V N 0.127 119.897 119.914 -0.240 0.000 2.255 45 V HA -0.316 3.805 4.120 0.001 0.000 0.247 45 V C 2.716 178.600 176.094 -0.349 0.000 1.051 45 V CA 2.263 64.289 62.300 -0.457 0.000 1.018 45 V CB -0.673 30.742 31.823 -0.680 0.000 0.641 45 V HN 0.460 nan 8.190 nan 0.000 0.445 46 R N 0.122 120.478 120.500 -0.240 0.000 2.081 46 R HA -0.094 4.246 4.340 0.001 0.000 0.235 46 R C 2.465 178.690 176.300 -0.125 0.000 1.131 46 R CA 1.398 57.399 56.100 -0.165 0.000 0.960 46 R CB -0.684 29.541 30.300 -0.125 0.000 0.856 46 R HN 0.533 nan 8.270 nan 0.000 0.436 47 A N 1.514 124.259 122.820 -0.125 0.000 1.883 47 A HA -0.171 4.150 4.320 0.001 0.000 0.217 47 A C 2.211 179.746 177.584 -0.081 0.000 1.186 47 A CA 1.321 53.295 52.037 -0.105 0.000 0.624 47 A CB -0.635 18.288 19.000 -0.129 0.000 0.822 47 A HN 0.185 nan 8.150 nan 0.000 0.444 48 L N -0.884 120.288 121.223 -0.085 0.000 2.017 48 L HA -0.215 4.126 4.340 0.001 0.000 0.208 48 L C 3.130 179.999 176.870 -0.002 0.000 1.073 48 L CA 1.148 55.972 54.840 -0.026 0.000 0.745 48 L CB -0.531 41.533 42.059 0.008 0.000 0.894 48 L HN 0.449 nan 8.230 nan 0.000 0.432 49 A N -0.355 122.445 122.820 -0.034 0.000 1.940 49 A HA -0.252 4.069 4.320 0.001 0.000 0.219 49 A C 2.287 179.868 177.584 -0.006 0.000 1.176 49 A CA 1.920 53.953 52.037 -0.006 0.000 0.631 49 A CB -0.488 18.490 19.000 -0.037 0.000 0.814 49 A HN 0.367 nan 8.150 nan 0.000 0.446 50 M N -0.899 118.686 119.600 -0.025 0.000 2.099 50 M HA -0.127 4.354 4.480 0.001 0.000 0.262 50 M C 2.113 178.412 176.300 -0.001 0.000 1.067 50 M CA 1.443 56.732 55.300 -0.018 0.000 1.124 50 M CB -0.494 32.086 32.600 -0.033 0.000 1.353 50 M HN 0.238 nan 8.290 nan 0.000 0.410 51 V N 0.616 120.530 119.914 0.000 0.000 2.332 51 V HA -0.273 3.848 4.120 0.001 0.000 0.248 51 V C 2.435 178.561 176.094 0.052 0.000 1.055 51 V CA 1.599 63.911 62.300 0.020 0.000 1.038 51 V CB -0.769 31.066 31.823 0.020 0.000 0.651 51 V HN 0.388 nan 8.190 nan 0.000 0.450 52 K N 0.248 120.683 120.400 0.058 0.000 2.097 52 K HA -0.181 4.140 4.320 0.001 0.000 0.206 52 K C 2.127 178.773 176.600 0.076 0.000 1.049 52 K CA 1.341 57.675 56.287 0.078 0.000 0.933 52 K CB -0.374 32.174 32.500 0.079 0.000 0.717 52 K HN 0.443 nan 8.250 nan 0.000 0.442 53 K N 0.825 121.254 120.400 0.049 0.000 2.026 53 K HA -0.094 4.227 4.320 0.001 0.000 0.208 53 K C 2.110 178.756 176.600 0.078 0.000 1.048 53 K CA 1.247 57.561 56.287 0.043 0.000 0.929 53 K CB -0.078 32.428 32.500 0.010 0.000 0.713 53 K HN 0.067 nan 8.250 nan 0.000 0.439 54 A N 1.091 123.947 122.820 0.060 0.000 1.908 54 A HA -0.155 4.166 4.320 0.001 0.000 0.218 54 A C 2.316 179.952 177.584 0.086 0.000 1.181 54 A CA 2.076 54.145 52.037 0.053 0.000 0.627 54 A CB -0.816 18.192 19.000 0.012 0.000 0.818 54 A HN 0.499 nan 8.150 nan 0.000 0.445 55 A N -0.271 122.625 122.820 0.127 0.000 1.873 55 A HA 0.205 4.525 4.320 0.001 0.000 0.215 55 A C 2.532 180.273 177.584 0.262 0.000 1.186 55 A CA 2.038 54.217 52.037 0.235 0.000 0.616 55 A CB -1.099 18.055 19.000 0.258 0.000 0.823 55 A HN 1.110 nan 8.150 nan 0.000 0.442 56 A N -0.936 122.013 122.820 0.214 0.000 1.940 56 A HA -0.117 4.204 4.320 0.001 0.000 0.219 56 A C 2.302 180.100 177.584 0.357 0.000 1.176 56 A CA 2.421 54.613 52.037 0.258 0.000 0.631 56 A CB -1.241 17.884 19.000 0.208 0.000 0.814 56 A HN 0.442 nan 8.150 nan 0.000 0.446 57 T N 0.032 114.784 114.554 0.329 0.000 2.737 57 T HA 0.056 4.407 4.350 0.001 0.000 0.265 57 T C 2.284 177.094 174.700 0.183 0.000 1.038 57 T CA 1.495 63.787 62.100 0.319 0.000 1.144 57 T CB -0.461 68.567 68.868 0.267 0.000 0.866 57 T HN 0.596 nan 8.240 nan 0.000 0.434 58 A N 2.497 125.408 122.820 0.151 0.000 1.877 58 A HA -0.176 4.145 4.320 0.001 0.000 0.216 58 A C 2.259 179.963 177.584 0.201 0.000 1.186 58 A CA 1.576 53.684 52.037 0.119 0.000 0.620 58 A CB -0.750 18.248 19.000 -0.002 0.000 0.822 58 A HN 0.370 nan 8.150 nan 0.000 0.443 59 N N -1.324 117.548 118.700 0.286 0.000 2.094 59 N HA -0.204 4.536 4.740 0.001 0.000 0.191 59 N C 1.590 177.178 175.510 0.130 0.000 1.023 59 N CA 1.875 55.048 53.050 0.204 0.000 0.857 59 N CB -0.626 37.969 38.487 0.180 0.000 1.013 59 N HN 0.687 nan 8.380 nan 0.000 0.426 60 Y N 1.828 122.113 120.300 -0.025 0.000 2.133 60 Y HA -0.089 4.462 4.550 0.002 0.000 0.287 60 Y C 2.019 177.815 175.900 -0.173 0.000 1.134 60 Y CA 1.623 59.614 58.100 -0.181 0.000 1.133 60 Y CB -0.298 37.805 38.460 -0.595 0.000 0.987 60 Y HN -0.084 nan 8.280 nan 0.000 0.502 61 K N 0.051 120.274 120.400 -0.295 0.000 2.280 61 K HA -0.080 4.241 4.320 0.001 0.000 0.202 61 K C 1.528 178.001 176.600 -0.211 0.000 1.047 61 K CA 1.271 57.360 56.287 -0.330 0.000 0.942 61 K CB -0.194 32.221 32.500 -0.141 0.000 0.739 61 K HN 0.375 nan 8.250 nan 0.000 0.457 62 L N -0.042 121.117 121.223 -0.107 0.000 2.628 62 L HA 0.107 4.448 4.340 0.001 0.000 0.229 62 L C 0.947 177.774 176.870 -0.071 0.000 1.137 62 L CA -0.030 54.777 54.840 -0.054 0.000 0.909 62 L CB -0.201 41.878 42.059 0.034 0.000 1.137 62 L HN 0.195 nan 8.230 nan 0.000 0.470 63 R N -0.779 119.642 120.500 -0.133 0.000 3.770 63 R HA -0.266 4.075 4.340 0.001 0.000 0.305 63 R C 0.950 177.229 176.300 -0.035 0.000 1.184 63 R CA 1.509 57.544 56.100 -0.108 0.000 0.823 63 R CB -3.236 27.002 30.300 -0.103 0.000 1.285 63 R HN 0.587 nan 8.270 nan 0.000 0.499 64 Q N -1.307 118.489 119.800 -0.006 0.000 2.378 64 Q HA 0.714 5.055 4.340 0.001 0.000 0.216 64 Q C 1.131 177.158 176.000 0.045 0.000 0.892 64 Q CA 1.225 57.034 55.803 0.011 0.000 0.931 64 Q CB 0.776 29.511 28.738 -0.004 0.000 1.086 64 Q HN 1.560 nan 8.270 nan 0.000 0.528 65 L N 1.125 122.402 121.223 0.091 0.000 2.376 65 L HA 0.632 4.973 4.340 0.001 0.000 0.275 65 L C -2.972 174.020 176.870 0.202 0.000 0.987 65 L CA -2.273 52.653 54.840 0.143 0.000 0.828 65 L CB 2.458 44.627 42.059 0.185 0.000 1.249 65 L HN -0.117 nan 8.230 nan 0.000 0.409 66 P HA 0.062 nan 4.420 nan 0.000 0.269 66 P C 0.427 177.866 177.300 0.232 0.000 1.209 66 P CA -0.015 63.189 63.100 0.173 0.000 0.776 66 P CB 0.628 32.397 31.700 0.115 0.000 0.876 67 E N 4.534 124.895 120.200 0.269 0.000 2.086 67 E HA -0.226 4.124 4.350 0.001 0.000 0.200 67 E C -0.812 175.859 176.600 0.118 0.000 1.012 67 E CA 1.913 58.442 56.400 0.216 0.000 0.812 67 E CB -1.158 28.692 29.700 0.250 0.000 0.743 67 E HN 0.383 nan 8.360 nan 0.000 0.453 68 P HA -0.105 nan 4.420 nan 0.000 0.220 68 P C 0.805 178.130 177.300 0.041 0.000 1.152 68 P CA 1.325 64.458 63.100 0.054 0.000 0.812 68 P CB -0.043 31.690 31.700 0.056 0.000 0.792 69 K N -0.724 119.723 120.400 0.078 0.000 2.025 69 K HA -0.167 4.154 4.320 0.001 0.000 0.207 69 K C 2.433 179.071 176.600 0.062 0.000 1.049 69 K CA 1.330 57.663 56.287 0.076 0.000 0.933 69 K CB -0.871 31.692 32.500 0.104 0.000 0.714 69 K HN 0.108 nan 8.250 nan 0.000 0.438 70 Y N 1.765 122.034 120.300 -0.051 0.000 2.081 70 Y HA -0.303 4.248 4.550 0.002 0.000 0.280 70 Y C 2.217 178.015 175.900 -0.169 0.000 1.163 70 Y CA 1.634 59.660 58.100 -0.125 0.000 1.135 70 Y CB -0.565 37.720 38.460 -0.291 0.000 0.970 70 Y HN 0.032 nan 8.280 nan 0.000 0.498 71 A N 0.865 123.411 122.820 -0.457 0.000 1.902 71 A HA -0.090 4.231 4.320 0.001 0.000 0.217 71 A C 2.433 179.777 177.584 -0.400 0.000 1.181 71 A CA 2.061 53.746 52.037 -0.588 0.000 0.623 71 A CB -1.542 17.298 19.000 -0.267 0.000 0.818 71 A HN 0.720 nan 8.150 nan 0.000 0.443 72 A N -0.318 122.369 122.820 -0.221 0.000 1.897 72 A HA 0.014 4.334 4.320 0.001 0.000 0.215 72 A C 2.102 179.583 177.584 -0.172 0.000 1.181 72 A CA 1.346 53.292 52.037 -0.152 0.000 0.620 72 A CB -0.528 18.459 19.000 -0.021 0.000 0.821 72 A HN 0.467 nan 8.150 nan 0.000 0.443 73 I N -0.622 119.866 120.570 -0.137 0.000 2.179 73 I HA -0.210 3.961 4.170 0.001 0.000 0.242 73 I C 2.379 178.407 176.117 -0.149 0.000 1.088 73 I CA 1.051 62.299 61.300 -0.086 0.000 1.357 73 I CB -0.234 37.757 38.000 -0.016 0.000 1.051 73 I HN 0.151 nan 8.210 nan 0.000 0.409 74 V N 0.892 120.641 119.914 -0.275 0.000 2.295 74 V HA -0.327 3.794 4.120 0.001 0.000 0.246 74 V C 2.707 178.640 176.094 -0.268 0.000 1.049 74 V CA 2.051 64.179 62.300 -0.288 0.000 1.024 74 V CB -0.992 30.537 31.823 -0.490 0.000 0.648 74 V HN 0.512 nan 8.190 nan 0.000 0.447 75 A N -0.048 122.548 122.820 -0.373 0.000 1.892 75 A HA -0.223 4.098 4.320 0.001 0.000 0.218 75 A C 2.432 179.779 177.584 -0.396 0.000 1.188 75 A CA 2.501 54.246 52.037 -0.487 0.000 0.631 75 A CB -0.920 17.551 19.000 -0.882 0.000 0.822 75 A HN 0.607 nan 8.150 nan 0.000 0.447 76 A N -0.922 121.723 122.820 -0.292 0.000 1.877 76 A HA -0.193 4.128 4.320 0.001 0.000 0.216 76 A C 2.341 179.916 177.584 -0.014 0.000 1.186 76 A CA 1.757 53.768 52.037 -0.044 0.000 0.620 76 A CB -1.409 17.616 19.000 0.041 0.000 0.822 76 A HN 0.649 nan 8.150 nan 0.000 0.443 77 C N -0.311 118.969 119.300 -0.034 0.000 2.413 77 C HA -0.121 4.340 4.460 0.001 0.000 0.276 77 C C 2.370 177.343 174.990 -0.030 0.000 1.248 77 C CA 1.067 60.077 59.018 -0.014 0.000 1.742 77 C CB -1.290 26.438 27.740 -0.020 0.000 2.017 77 C HN 0.595 nan 8.230 nan 0.000 0.481 78 D N 0.944 121.309 120.400 -0.060 0.000 2.123 78 D HA -0.112 4.529 4.640 0.001 0.000 0.196 78 D C 1.679 177.964 176.300 -0.024 0.000 0.992 78 D CA 1.342 55.312 54.000 -0.050 0.000 0.833 78 D CB -0.607 40.150 40.800 -0.071 0.000 0.954 78 D HN 0.487 nan 8.370 nan 0.000 0.455 79 D N 0.349 120.746 120.400 -0.005 0.000 2.104 79 D HA -0.123 4.518 4.640 0.001 0.000 0.194 79 D C 2.309 178.611 176.300 0.003 0.000 0.994 79 D CA 0.555 54.566 54.000 0.019 0.000 0.830 79 D CB -0.309 40.527 40.800 0.061 0.000 0.959 79 D HN 0.301 nan 8.370 nan 0.000 0.452 80 I N 0.602 121.175 120.570 0.006 0.000 2.202 80 I HA -0.202 3.969 4.170 0.001 0.000 0.242 80 I C 2.379 178.469 176.117 -0.045 0.000 1.091 80 I CA 0.631 61.928 61.300 -0.005 0.000 1.368 80 I CB -0.172 37.844 38.000 0.027 0.000 1.058 80 I HN -0.072 nan 8.210 nan 0.000 0.410 81 I N 0.790 121.334 120.570 -0.042 0.000 2.315 81 I HA -0.311 3.860 4.170 0.001 0.000 0.251 81 I C 1.548 177.641 176.117 -0.040 0.000 1.125 81 I CA 1.352 62.622 61.300 -0.049 0.000 1.392 81 I CB -0.446 37.530 38.000 -0.040 0.000 1.065 81 I HN 0.246 nan 8.210 nan 0.000 0.424 82 D N 0.261 120.645 120.400 -0.028 0.000 2.355 82 D HA 0.077 4.718 4.640 0.001 0.000 0.218 82 D C 1.608 177.897 176.300 -0.018 0.000 1.004 82 D CA 1.091 55.079 54.000 -0.020 0.000 0.880 82 D CB 0.548 41.341 40.800 -0.011 0.000 0.911 82 D HN 0.462 nan 8.370 nan 0.000 0.528 83 G N 0.071 108.857 108.800 -0.023 0.000 2.175 83 G HA2 -0.198 3.763 3.960 0.001 0.000 0.182 83 G HA3 -0.198 3.763 3.960 0.001 0.000 0.182 83 G C 0.173 175.069 174.900 -0.006 0.000 1.003 83 G CA -0.390 44.698 45.100 -0.021 0.000 0.666 83 G HN 0.252 nan 8.290 nan 0.000 0.506 84 L N 0.738 121.959 121.223 -0.004 0.000 2.439 84 L HA 0.614 4.955 4.340 0.001 0.000 0.261 84 L C 1.807 178.685 176.870 0.013 0.000 1.153 84 L CA -0.475 54.363 54.840 -0.003 0.000 0.808 84 L CB 0.901 42.950 42.059 -0.017 0.000 1.126 84 L HN 0.251 nan 8.230 nan 0.000 0.460 85 L N 0.340 121.565 121.223 0.003 0.000 4.496 85 L HA -0.286 4.055 4.340 0.001 0.000 0.419 85 L C 1.486 178.486 176.870 0.217 0.000 1.139 85 L CA -0.141 54.717 54.840 0.030 0.000 0.975 85 L CB -1.224 40.794 42.059 -0.069 0.000 2.099 85 L HN 0.719 nan 8.230 nan 0.000 0.818 86 M N 0.656 120.356 119.600 0.166 0.000 2.149 86 M HA -0.145 4.335 4.480 0.001 0.000 0.261 86 M C 2.403 178.862 176.300 0.265 0.000 1.064 86 M CA 2.513 57.934 55.300 0.201 0.000 1.102 86 M CB -0.706 31.945 32.600 0.086 0.000 1.369 86 M HN 0.584 nan 8.290 nan 0.000 0.408 87 E N -0.507 119.806 120.200 0.188 0.000 2.409 87 E HA -0.183 4.167 4.350 0.001 0.000 0.198 87 E C 1.170 177.891 176.600 0.201 0.000 1.024 87 E CA 0.857 57.360 56.400 0.172 0.000 0.861 87 E CB -0.475 29.306 29.700 0.135 0.000 0.788 87 E HN 0.498 nan 8.360 nan 0.000 0.521 88 Q N -0.129 119.804 119.800 0.220 0.000 2.425 88 Q HA 0.119 4.459 4.340 0.001 0.000 0.204 88 Q C -0.213 175.741 176.000 -0.077 0.000 0.933 88 Q CA 0.140 56.046 55.803 0.172 0.000 0.939 88 Q CB -0.073 28.720 28.738 0.093 0.000 1.044 88 Q HN 0.259 nan 8.270 nan 0.000 0.513 89 F N 1.351 121.351 119.950 0.083 0.000 2.406 89 F HA 0.078 4.606 4.527 0.002 0.000 0.358 89 F C 1.196 176.986 175.800 -0.017 0.000 1.161 89 F CA -0.521 57.498 58.000 0.032 0.000 1.185 89 F CB 0.638 39.659 39.000 0.035 0.000 1.421 89 F HN -0.221 nan 8.300 nan 0.000 0.576 90 V N -0.065 119.812 119.914 -0.060 0.000 3.528 90 V HA 0.248 4.369 4.120 0.001 0.000 0.294 90 V C 0.363 176.404 176.094 -0.088 0.000 1.404 90 V CA -0.189 62.038 62.300 -0.122 0.000 1.065 90 V CB -0.424 31.180 31.823 -0.364 0.000 0.904 90 V HN 0.173 nan 8.190 nan 0.000 0.435 91 V N 2.347 122.238 119.914 -0.038 0.000 2.614 91 V HA 0.197 4.318 4.120 0.001 0.000 0.291 91 V C 0.558 176.666 176.094 0.024 0.000 1.049 91 V CA -0.075 62.228 62.300 0.004 0.000 1.038 91 V CB 1.037 32.880 31.823 0.035 0.000 0.980 91 V HN 0.479 nan 8.190 nan 0.000 0.481 92 D N 2.517 122.947 120.400 0.049 0.000 2.472 92 D HA -0.029 4.612 4.640 0.001 0.000 0.237 92 D C 1.273 177.549 176.300 -0.040 0.000 1.141 92 D CA 0.215 54.237 54.000 0.038 0.000 0.875 92 D CB 1.734 42.605 40.800 0.118 0.000 1.192 92 D HN 0.472 nan 8.370 nan 0.000 0.450 93 V N 2.344 122.171 119.914 -0.145 0.000 2.720 93 V HA -0.184 3.937 4.120 0.001 0.000 0.256 93 V C 1.593 177.425 176.094 -0.437 0.000 1.082 93 V CA 1.143 63.225 62.300 -0.362 0.000 1.101 93 V CB -0.889 30.452 31.823 -0.804 0.000 0.693 93 V HN 0.432 nan 8.190 nan 0.000 0.479 94 F N 2.149 121.975 119.950 -0.207 0.000 2.692 94 F HA 0.272 4.800 4.527 0.001 0.000 0.303 94 F C 1.502 177.171 175.800 -0.218 0.000 1.114 94 F CA -0.611 57.297 58.000 -0.152 0.000 1.361 94 F CB -0.454 38.488 39.000 -0.097 0.000 1.063 94 F HN 0.364 nan 8.300 nan 0.000 0.550 95 Q N 0.727 120.389 119.800 -0.231 0.000 2.310 95 Q HA 0.156 4.497 4.340 0.001 0.000 0.315 95 Q C 0.673 176.177 176.000 -0.826 0.000 1.081 95 Q CA 0.288 55.618 55.803 -0.787 0.000 0.981 95 Q CB 0.424 28.802 28.738 -0.601 0.000 1.184 95 Q HN 0.306 nan 8.270 nan 0.000 0.389 96 G N 0.810 108.792 108.800 -1.364 0.000 2.588 96 G HA2 0.430 4.391 3.960 0.001 0.000 0.278 96 G HA3 0.430 4.391 3.960 0.001 0.000 0.278 96 G C 0.785 175.387 174.900 -0.496 0.000 1.307 96 G CA -0.362 44.395 45.100 -0.571 0.000 1.016 96 G HN 1.359 nan 8.290 nan 0.000 0.503 97 G N -2.181 106.505 108.800 -0.190 0.000 2.176 97 G HA2 0.185 4.146 3.960 0.001 0.000 0.232 97 G HA3 0.185 4.146 3.960 0.001 0.000 0.232 97 G C 1.084 175.866 174.900 -0.196 0.000 0.986 97 G CA 1.118 46.140 45.100 -0.130 0.000 0.643 97 G HN 2.444 nan 8.290 nan 0.000 0.522 98 A N -1.158 121.515 122.820 -0.244 0.000 2.816 98 A HA 0.367 4.688 4.320 0.001 0.000 0.270 98 A C 2.173 179.469 177.584 -0.480 0.000 1.413 98 A CA 2.119 53.997 52.037 -0.265 0.000 0.866 98 A CB -1.409 17.484 19.000 -0.179 0.000 1.032 98 A HN 2.856 nan 8.150 nan 0.000 0.642 99 G N -4.481 103.914 108.800 -0.674 0.000 2.336 99 G HA2 -0.084 3.877 3.960 0.001 0.000 0.194 99 G HA3 -0.084 3.877 3.960 0.001 0.000 0.194 99 G C 1.224 175.793 174.900 -0.552 0.000 0.999 99 G CA 1.022 45.380 45.100 -1.237 0.000 0.669 99 G HN 1.332 nan 8.290 nan 0.000 0.482 100 T N 1.489 115.873 114.554 -0.284 0.000 2.685 100 T HA -0.134 4.217 4.350 0.001 0.000 0.268 100 T C 2.518 177.184 174.700 -0.058 0.000 1.034 100 T CA 2.290 64.323 62.100 -0.111 0.000 1.149 100 T CB -0.288 68.550 68.868 -0.051 0.000 0.860 100 T HN 0.397 nan 8.240 nan 0.000 0.449 101 S N 0.835 116.495 115.700 -0.067 0.000 2.436 101 S HA -0.001 4.470 4.470 0.001 0.000 0.228 101 S C 2.458 177.069 174.600 0.019 0.000 1.014 101 S CA 0.585 58.794 58.200 0.014 0.000 0.950 101 S CB -0.178 63.074 63.200 0.087 0.000 0.784 101 S HN 0.425 nan 8.310 nan 0.000 0.504 102 S N 2.165 117.854 115.700 -0.019 0.000 2.371 102 S HA -0.075 4.396 4.470 0.001 0.000 0.224 102 S C 1.815 176.507 174.600 0.155 0.000 1.029 102 S CA 1.018 59.280 58.200 0.102 0.000 0.978 102 S CB -0.462 62.839 63.200 0.169 0.000 0.833 102 S HN 0.534 nan 8.310 nan 0.000 0.466 103 N N 1.499 120.263 118.700 0.107 0.000 2.084 103 N HA -0.059 4.682 4.740 0.001 0.000 0.190 103 N C 1.629 177.200 175.510 0.102 0.000 1.030 103 N CA 1.443 54.568 53.050 0.126 0.000 0.849 103 N CB -0.262 38.282 38.487 0.095 0.000 1.012 103 N HN 0.142 nan 8.380 nan 0.000 0.423 104 M N 0.372 120.010 119.600 0.064 0.000 2.175 104 M HA -0.030 4.451 4.480 0.001 0.000 0.264 104 M C 1.908 178.232 176.300 0.040 0.000 1.063 104 M CA 0.935 56.259 55.300 0.041 0.000 1.119 104 M CB -1.643 30.972 32.600 0.025 0.000 1.377 104 M HN 0.349 nan 8.290 nan 0.000 0.415 105 N N 0.238 118.971 118.700 0.054 0.000 2.069 105 N HA -0.141 4.600 4.740 0.001 0.000 0.191 105 N C 1.670 177.178 175.510 -0.004 0.000 1.031 105 N CA 1.442 54.493 53.050 0.001 0.000 0.852 105 N CB 0.136 38.638 38.487 0.025 0.000 1.018 105 N HN 0.322 nan 8.380 nan 0.000 0.423 106 A N 0.942 123.896 122.820 0.224 0.000 1.873 106 A HA -0.137 4.184 4.320 0.001 0.000 0.215 106 A C 1.985 179.664 177.584 0.158 0.000 1.186 106 A CA 1.273 53.509 52.037 0.331 0.000 0.616 106 A CB -0.586 18.622 19.000 0.347 0.000 0.823 106 A HN 0.362 nan 8.150 nan 0.000 0.442 107 N N -0.055 118.705 118.700 0.099 0.000 2.120 107 N HA -0.141 4.600 4.740 0.001 0.000 0.188 107 N C 1.705 177.223 175.510 0.014 0.000 1.024 107 N CA 1.609 54.691 53.050 0.054 0.000 0.852 107 N CB -0.360 38.142 38.487 0.026 0.000 1.003 107 N HN 0.671 nan 8.380 nan 0.000 0.424 108 E N 0.199 120.395 120.200 -0.007 0.000 2.047 108 E HA -0.065 4.286 4.350 0.001 0.000 0.191 108 E C 2.021 178.659 176.600 0.063 0.000 0.987 108 E CA 0.737 57.128 56.400 -0.016 0.000 0.799 108 E CB 0.054 29.756 29.700 0.004 0.000 0.752 108 E HN 0.030 nan 8.360 nan 0.000 0.449 109 V N 1.426 121.360 119.914 0.034 0.000 2.343 109 V HA -0.258 3.863 4.120 0.001 0.000 0.247 109 V C 2.215 178.383 176.094 0.124 0.000 1.051 109 V CA 1.514 63.846 62.300 0.053 0.000 1.036 109 V CB -0.349 31.356 31.823 -0.198 0.000 0.654 109 V HN 0.252 nan 8.190 nan 0.000 0.451 110 I N 0.149 120.791 120.570 0.119 0.000 2.252 110 I HA -0.193 3.978 4.170 0.001 0.000 0.245 110 I C 2.657 178.849 176.117 0.125 0.000 1.102 110 I CA 1.336 62.710 61.300 0.122 0.000 1.385 110 I CB -0.578 37.490 38.000 0.113 0.000 1.064 110 I HN 0.267 nan 8.210 nan 0.000 0.414 111 A N 1.066 123.955 122.820 0.115 0.000 1.865 111 A HA -0.249 4.072 4.320 0.001 0.000 0.217 111 A C 2.110 179.809 177.584 0.191 0.000 1.191 111 A CA 2.125 54.244 52.037 0.137 0.000 0.623 111 A CB -0.788 18.270 19.000 0.098 0.000 0.826 111 A HN 0.430 nan 8.150 nan 0.000 0.444 112 N N -0.781 118.054 118.700 0.224 0.000 2.120 112 N HA -0.158 4.583 4.740 0.001 0.000 0.188 112 N C 1.905 177.577 175.510 0.269 0.000 1.024 112 N CA 1.580 54.760 53.050 0.216 0.000 0.852 112 N CB -0.355 38.238 38.487 0.176 0.000 1.003 112 N HN 0.467 nan 8.380 nan 0.000 0.424 113 R N 1.395 122.096 120.500 0.335 0.000 2.092 113 R HA 0.107 4.448 4.340 0.001 0.000 0.231 113 R C 1.940 178.417 176.300 0.295 0.000 1.119 113 R CA 1.325 57.614 56.100 0.315 0.000 0.970 113 R CB -0.710 29.681 30.300 0.153 0.000 0.864 113 R HN 0.158 nan 8.270 nan 0.000 0.440 114 A N 0.553 123.502 122.820 0.216 0.000 1.902 114 A HA -0.101 4.220 4.320 0.001 0.000 0.217 114 A C 2.199 179.880 177.584 0.163 0.000 1.181 114 A CA 1.505 53.643 52.037 0.169 0.000 0.623 114 A CB -0.642 18.414 19.000 0.094 0.000 0.818 114 A HN 0.352 nan 8.150 nan 0.000 0.443 115 L N -0.901 120.403 121.223 0.136 0.000 2.042 115 L HA -0.235 4.105 4.340 0.001 0.000 0.210 115 L C 2.651 179.564 176.870 0.072 0.000 1.076 115 L CA 1.915 56.808 54.840 0.087 0.000 0.749 115 L CB -0.514 41.575 42.059 0.051 0.000 0.893 115 L HN 0.539 nan 8.230 nan 0.000 0.432 116 E N -0.698 119.554 120.200 0.088 0.000 2.051 116 E HA -0.239 4.112 4.350 0.001 0.000 0.192 116 E C 2.201 178.787 176.600 -0.024 0.000 0.991 116 E CA 1.018 57.432 56.400 0.023 0.000 0.799 116 E CB 0.027 29.757 29.700 0.050 0.000 0.748 116 E HN 0.532 nan 8.360 nan 0.000 0.449 117 H N -0.193 118.899 119.070 0.036 0.000 2.426 117 H HA -0.129 4.428 4.556 0.001 0.000 0.298 117 H C 1.887 177.218 175.328 0.007 0.000 1.107 117 H CA 1.046 57.103 56.048 0.014 0.000 1.298 117 H CB 0.068 29.829 29.762 -0.001 0.000 1.377 117 H HN 0.238 nan 8.280 nan 0.000 0.519 118 L N -0.092 121.199 121.223 0.114 0.000 2.612 118 L HA 0.103 4.444 4.340 0.001 0.000 0.230 118 L C 1.314 178.203 176.870 0.032 0.000 1.140 118 L CA 0.322 55.200 54.840 0.064 0.000 0.896 118 L CB 0.142 42.236 42.059 0.058 0.000 1.065 118 L HN 0.300 nan 8.230 nan 0.000 0.447 119 G N 0.776 109.586 108.800 0.017 0.000 2.249 119 G HA2 -0.257 3.704 3.960 0.001 0.000 0.273 119 G HA3 -0.257 3.704 3.960 0.001 0.000 0.273 119 G C 0.195 175.089 174.900 -0.010 0.000 1.036 119 G CA 0.031 45.128 45.100 -0.004 0.000 0.824 119 G HN 0.260 nan 8.290 nan 0.000 0.504 120 R N -0.242 120.253 120.500 -0.008 0.000 2.787 120 R HA 0.592 4.932 4.340 0.001 0.000 0.271 120 R C -2.303 173.967 176.300 -0.050 0.000 0.993 120 R CA -1.990 54.096 56.100 -0.023 0.000 0.993 120 R CB 1.065 31.359 30.300 -0.010 0.000 1.155 120 R HN 0.180 nan 8.270 nan 0.000 0.486 121 P HA 0.196 nan 4.420 nan 0.000 0.274 121 P C -0.435 176.779 177.300 -0.144 0.000 1.237 121 P CA -0.455 62.580 63.100 -0.108 0.000 0.793 121 P CB 0.629 32.262 31.700 -0.112 0.000 0.977 122 R N 0.554 120.945 120.500 -0.181 0.000 2.640 122 R HA 0.273 4.614 4.340 0.001 0.000 0.270 122 R C 1.293 177.399 176.300 -0.323 0.000 1.024 122 R CA 0.888 56.852 56.100 -0.226 0.000 1.085 122 R CB -0.827 29.312 30.300 -0.269 0.000 0.963 122 R HN 0.928 nan 8.270 nan 0.000 0.426 123 G N 1.577 110.048 108.800 -0.549 0.000 2.175 123 G HA2 -0.270 3.691 3.960 0.001 0.000 0.244 123 G HA3 -0.270 3.691 3.960 0.001 0.000 0.244 123 G C -0.015 174.329 174.900 -0.927 0.000 0.982 123 G CA 0.272 44.777 45.100 -0.992 0.000 0.641 123 G HN 0.670 nan 8.290 nan 0.000 0.527 124 D N 0.366 120.457 120.400 -0.515 0.000 2.608 124 D HA 0.393 5.034 4.640 0.001 0.000 0.224 124 D C 1.084 177.308 176.300 -0.127 0.000 1.123 124 D CA -0.660 53.186 54.000 -0.256 0.000 1.030 124 D CB -0.435 40.290 40.800 -0.124 0.000 1.093 124 D HN 0.334 nan 8.370 nan 0.000 0.497 125 Y N 0.666 120.960 120.300 -0.009 0.000 2.546 125 Y HA 0.069 4.620 4.550 0.001 0.000 0.287 125 Y C 2.613 178.587 175.900 0.124 0.000 1.158 125 Y CA 0.770 58.863 58.100 -0.012 0.000 1.307 125 Y CB -0.948 37.399 38.460 -0.189 0.000 1.036 125 Y HN 0.478 nan 8.280 nan 0.000 0.532 126 Q N -0.074 119.855 119.800 0.216 0.000 2.230 126 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 126 Q C 2.065 178.144 176.000 0.132 0.000 0.963 126 Q CA 1.904 57.811 55.803 0.173 0.000 0.866 126 Q CB -1.244 27.557 28.738 0.104 0.000 0.931 126 Q HN 0.474 nan 8.270 nan 0.000 0.452 127 T N 0.207 114.826 114.554 0.109 0.000 2.814 127 T HA 0.195 4.546 4.350 0.001 0.000 0.254 127 T C 0.660 175.434 174.700 0.123 0.000 1.037 127 T CA 0.739 62.894 62.100 0.092 0.000 1.143 127 T CB 0.175 69.078 68.868 0.058 0.000 0.866 127 T HN 0.479 nan 8.240 nan 0.000 0.431 128 I N 1.698 122.363 120.570 0.158 0.000 2.448 128 I HA 0.279 4.449 4.170 0.001 0.000 0.281 128 I C -0.723 175.536 176.117 0.238 0.000 1.027 128 I CA -0.703 60.703 61.300 0.176 0.000 1.111 128 I CB 1.118 39.203 38.000 0.142 0.000 1.236 128 I HN 0.305 nan 8.210 nan 0.000 0.452 129 H N 8.002 127.138 119.070 0.112 0.000 2.562 129 H HA 0.280 4.837 4.556 0.002 0.000 0.314 129 H C -1.860 173.438 175.328 -0.050 0.000 1.079 129 H CA -1.436 54.638 56.048 0.044 0.000 1.349 129 H CB 2.412 32.197 29.762 0.038 0.000 1.432 129 H HN 0.240 nan 8.280 nan 0.000 0.479 130 P HA -0.127 nan 4.420 nan 0.000 0.216 130 P C 0.930 178.226 177.300 -0.006 0.000 1.150 130 P CA 1.229 64.210 63.100 -0.198 0.000 0.837 130 P CB 0.628 32.081 31.700 -0.411 0.000 0.786 131 N N -1.040 117.748 118.700 0.147 0.000 2.245 131 N HA -0.060 4.681 4.740 0.001 0.000 0.185 131 N C 1.201 176.796 175.510 0.141 0.000 1.036 131 N CA 0.999 54.148 53.050 0.165 0.000 0.857 131 N CB -0.528 38.058 38.487 0.164 0.000 1.015 131 N HN 0.083 nan 8.380 nan 0.000 0.436 132 D N 1.121 121.615 120.400 0.158 0.000 2.178 132 D HA -0.086 4.554 4.640 0.001 0.000 0.202 132 D C 1.000 177.329 176.300 0.048 0.000 0.974 132 D CA 1.181 55.179 54.000 -0.003 0.000 0.841 132 D CB -0.059 40.639 40.800 -0.170 0.000 0.953 132 D HN 0.279 nan 8.370 nan 0.000 0.478 133 D N -0.301 120.164 120.400 0.109 0.000 2.735 133 D HA 0.009 4.650 4.640 0.001 0.000 0.267 133 D C 2.395 178.750 176.300 0.092 0.000 1.081 133 D CA 0.240 54.300 54.000 0.099 0.000 0.980 133 D CB -0.268 40.605 40.800 0.123 0.000 1.129 133 D HN -0.030 nan 8.370 nan 0.000 0.459 134 V N 1.381 121.350 119.914 0.092 0.000 2.392 134 V HA -0.188 3.933 4.120 0.001 0.000 0.249 134 V C 1.570 177.712 176.094 0.080 0.000 1.059 134 V CA 1.520 63.869 62.300 0.081 0.000 1.051 134 V CB -0.573 31.291 31.823 0.067 0.000 0.658 134 V HN 0.094 nan 8.190 nan 0.000 0.455 135 N N -0.657 118.085 118.700 0.070 0.000 2.251 135 N HA 0.166 4.907 4.740 0.001 0.000 0.217 135 N C 0.433 175.966 175.510 0.038 0.000 1.124 135 N CA -0.091 52.995 53.050 0.061 0.000 0.843 135 N CB -0.073 38.446 38.487 0.054 0.000 1.024 135 N HN 0.441 nan 8.380 nan 0.000 0.501 136 M N 0.571 120.191 119.600 0.033 0.000 2.260 136 M HA -0.055 4.425 4.480 0.001 0.000 0.348 136 M C 0.084 176.331 176.300 -0.088 0.000 1.342 136 M CA 0.786 56.077 55.300 -0.015 0.000 1.040 136 M CB 0.172 32.774 32.600 0.003 0.000 1.810 136 M HN 0.276 nan 8.290 nan 0.000 0.453 137 S N 1.546 117.143 115.700 -0.171 0.000 3.380 137 S HA -0.216 4.255 4.470 0.001 0.000 0.300 137 S C -0.445 174.033 174.600 -0.204 0.000 1.255 137 S CA 1.212 59.201 58.200 -0.350 0.000 0.963 137 S CB -1.533 61.118 63.200 -0.915 0.000 1.106 137 S HN 0.898 nan 8.310 nan 0.000 0.629 138 Q N 0.108 119.880 119.800 -0.047 0.000 2.399 138 Q HA 0.746 5.087 4.340 0.001 0.000 0.276 138 Q C -0.259 175.765 176.000 0.041 0.000 1.098 138 Q CA -0.391 55.439 55.803 0.046 0.000 0.827 138 Q CB 2.252 31.041 28.738 0.085 0.000 1.386 138 Q HN 0.413 nan 8.270 nan 0.000 0.443 139 S N -1.137 114.601 115.700 0.063 0.000 2.627 139 S HA 0.369 4.840 4.470 0.001 0.000 0.283 139 S C 0.366 175.011 174.600 0.074 0.000 1.127 139 S CA -0.582 57.651 58.200 0.055 0.000 0.863 139 S CB 1.540 64.767 63.200 0.046 0.000 1.121 139 S HN 0.522 nan 8.310 nan 0.000 0.479 140 T N 2.248 116.840 114.554 0.064 0.000 2.699 140 T HA -0.102 4.248 4.350 0.001 0.000 0.268 140 T C 1.309 176.078 174.700 0.115 0.000 1.036 140 T CA 1.946 64.094 62.100 0.080 0.000 1.147 140 T CB -0.686 68.197 68.868 0.025 0.000 0.862 140 T HN 0.674 nan 8.240 nan 0.000 0.446 141 N N 1.502 120.254 118.700 0.086 0.000 2.550 141 N HA -0.055 4.685 4.740 0.001 0.000 0.186 141 N C 1.472 177.043 175.510 0.101 0.000 1.110 141 N CA 0.879 53.987 53.050 0.096 0.000 0.912 141 N CB -0.140 38.388 38.487 0.069 0.000 0.968 141 N HN 0.709 nan 8.380 nan 0.000 0.448 142 D N -0.892 119.567 120.400 0.098 0.000 2.463 142 D HA 0.024 4.665 4.640 0.001 0.000 0.237 142 D C 1.669 178.024 176.300 0.092 0.000 1.013 142 D CA 0.076 54.131 54.000 0.091 0.000 0.910 142 D CB -0.276 40.578 40.800 0.090 0.000 1.080 142 D HN -0.099 nan 8.370 nan 0.000 0.498 143 V N 0.719 120.699 119.914 0.111 0.000 2.270 143 V HA -0.229 3.892 4.120 0.001 0.000 0.245 143 V C 2.408 178.562 176.094 0.100 0.000 1.043 143 V CA 1.586 63.949 62.300 0.105 0.000 1.014 143 V CB -0.854 31.042 31.823 0.121 0.000 0.645 143 V HN 0.126 nan 8.190 nan 0.000 0.447 144 Y N 2.223 122.539 120.300 0.027 0.000 2.097 144 Y HA -0.137 4.413 4.550 0.001 0.000 0.282 144 Y C -0.041 175.866 175.900 0.013 0.000 1.152 144 Y CA 2.232 60.339 58.100 0.012 0.000 1.136 144 Y CB -1.497 36.965 38.460 0.004 0.000 0.975 144 Y HN 0.315 nan 8.280 nan 0.000 0.498 145 P HA -0.077 nan 4.420 nan 0.000 0.223 145 P C 1.396 178.663 177.300 -0.055 0.000 1.151 145 P CA 1.866 64.959 63.100 -0.013 0.000 0.787 145 P CB -0.109 31.659 31.700 0.114 0.000 0.788 146 T N 0.021 114.549 114.554 -0.042 0.000 2.770 146 T HA -0.023 4.328 4.350 0.001 0.000 0.263 146 T C 2.024 176.661 174.700 -0.105 0.000 1.039 146 T CA 1.563 63.635 62.100 -0.047 0.000 1.142 146 T CB -0.755 68.104 68.868 -0.015 0.000 0.868 146 T HN 0.044 nan 8.240 nan 0.000 0.435 147 A N 1.042 123.776 122.820 -0.145 0.000 1.902 147 A HA -0.060 4.261 4.320 0.001 0.000 0.217 147 A C 2.562 179.981 177.584 -0.275 0.000 1.181 147 A CA 1.321 53.246 52.037 -0.186 0.000 0.623 147 A CB -1.093 17.805 19.000 -0.171 0.000 0.818 147 A HN 0.337 nan 8.150 nan 0.000 0.443 148 V N -0.049 119.622 119.914 -0.405 0.000 2.255 148 V HA -0.320 3.800 4.120 0.001 0.000 0.247 148 V C 2.672 178.580 176.094 -0.309 0.000 1.051 148 V CA 2.464 64.520 62.300 -0.408 0.000 1.018 148 V CB -0.793 30.740 31.823 -0.484 0.000 0.641 148 V HN 0.561 nan 8.190 nan 0.000 0.445 149 R N -0.784 119.589 120.500 -0.212 0.000 2.091 149 R HA -0.177 4.164 4.340 0.001 0.000 0.238 149 R C 2.195 178.364 176.300 -0.219 0.000 1.136 149 R CA 1.578 57.531 56.100 -0.245 0.000 0.959 149 R CB -0.554 29.714 30.300 -0.054 0.000 0.856 149 R HN 0.364 nan 8.270 nan 0.000 0.437 150 L N 0.651 121.781 121.223 -0.155 0.000 2.056 150 L HA -0.060 4.281 4.340 0.001 0.000 0.207 150 L C 2.227 179.009 176.870 -0.146 0.000 1.078 150 L CA 1.917 56.685 54.840 -0.120 0.000 0.749 150 L CB -0.808 41.194 42.059 -0.095 0.000 0.901 150 L HN 0.144 nan 8.230 nan 0.000 0.433 151 A N -0.392 122.317 122.820 -0.184 0.000 1.892 151 A HA -0.226 4.095 4.320 0.001 0.000 0.218 151 A C 2.267 179.735 177.584 -0.195 0.000 1.188 151 A CA 2.273 54.202 52.037 -0.180 0.000 0.631 151 A CB -0.984 17.896 19.000 -0.200 0.000 0.822 151 A HN 0.517 nan 8.150 nan 0.000 0.447 152 L N -1.009 120.035 121.223 -0.299 0.000 2.093 152 L HA -0.144 4.197 4.340 0.001 0.000 0.208 152 L C 2.562 179.310 176.870 -0.205 0.000 1.085 152 L CA 0.874 55.502 54.840 -0.354 0.000 0.755 152 L CB -0.561 41.021 42.059 -0.795 0.000 0.904 152 L HN 0.356 nan 8.230 nan 0.000 0.435 153 L N -0.409 120.729 121.223 -0.142 0.000 2.046 153 L HA -0.220 4.120 4.340 0.001 0.000 0.208 153 L C 2.432 179.280 176.870 -0.035 0.000 1.077 153 L CA 1.194 56.013 54.840 -0.034 0.000 0.747 153 L CB -0.392 41.664 42.059 -0.005 0.000 0.896 153 L HN 0.239 nan 8.230 nan 0.000 0.432 154 L N -1.084 120.103 121.223 -0.060 0.000 2.362 154 L HA -0.133 4.208 4.340 0.001 0.000 0.219 154 L C 2.034 178.883 176.870 -0.035 0.000 1.134 154 L CA 0.663 55.475 54.840 -0.047 0.000 0.807 154 L CB -0.273 41.748 42.059 -0.063 0.000 0.927 154 L HN 0.174 nan 8.230 nan 0.000 0.447 155 S N -1.595 114.083 115.700 -0.037 0.000 2.556 155 S HA 0.020 4.491 4.470 0.001 0.000 0.216 155 S C 1.681 176.303 174.600 0.037 0.000 0.970 155 S CA -0.207 57.986 58.200 -0.012 0.000 0.912 155 S CB 0.224 63.408 63.200 -0.026 0.000 0.790 155 S HN 0.318 nan 8.310 nan 0.000 0.504 156 Q N 2.442 122.271 119.800 0.049 0.000 2.020 156 Q HA -0.033 4.308 4.340 0.001 0.000 0.202 156 Q C 1.865 177.918 176.000 0.088 0.000 0.982 156 Q CA 1.097 56.962 55.803 0.104 0.000 0.838 156 Q CB -0.722 28.074 28.738 0.096 0.000 0.899 156 Q HN 0.498 nan 8.270 nan 0.000 0.423 157 N N 0.362 119.093 118.700 0.051 0.000 2.060 157 N HA -0.240 4.501 4.740 0.001 0.000 0.195 157 N C 2.015 177.551 175.510 0.043 0.000 1.028 157 N CA 2.252 55.326 53.050 0.040 0.000 0.861 157 N CB 0.059 38.555 38.487 0.015 0.000 1.029 157 N HN 0.495 nan 8.380 nan 0.000 0.428 158 Q N 0.689 120.510 119.800 0.035 0.000 2.124 158 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 158 Q C 2.386 178.413 176.000 0.045 0.000 0.977 158 Q CA 1.678 57.499 55.803 0.029 0.000 0.850 158 Q CB -0.901 27.846 28.738 0.014 0.000 0.901 158 Q HN 0.291 nan 8.270 nan 0.000 0.429 159 V N 0.578 120.532 119.914 0.066 0.000 2.407 159 V HA -0.252 3.869 4.120 0.001 0.000 0.245 159 V C 2.672 178.818 176.094 0.086 0.000 1.041 159 V CA 1.601 63.944 62.300 0.072 0.000 1.040 159 V CB -0.424 31.457 31.823 0.097 0.000 0.671 159 V HN 0.627 nan 8.190 nan 0.000 0.455 160 Q N 0.141 120.011 119.800 0.117 0.000 2.077 160 Q HA -0.211 4.130 4.340 0.001 0.000 0.206 160 Q C 2.385 178.522 176.000 0.228 0.000 0.989 160 Q CA 2.449 58.361 55.803 0.182 0.000 0.853 160 Q CB -0.993 27.844 28.738 0.165 0.000 0.907 160 Q HN 0.629 nan 8.270 nan 0.000 0.418 161 T N 1.493 116.121 114.554 0.123 0.000 2.684 161 T HA -0.173 4.178 4.350 0.001 0.000 0.267 161 T C 1.866 176.622 174.700 0.093 0.000 1.036 161 T CA 1.747 63.902 62.100 0.091 0.000 1.148 161 T CB -0.359 68.531 68.868 0.038 0.000 0.863 161 T HN 0.460 nan 8.240 nan 0.000 0.436 162 A N 1.164 124.021 122.820 0.062 0.000 1.877 162 A HA -0.032 4.289 4.320 0.001 0.000 0.216 162 A C 2.250 179.851 177.584 0.027 0.000 1.186 162 A CA 1.327 53.383 52.037 0.032 0.000 0.620 162 A CB -0.891 18.119 19.000 0.016 0.000 0.822 162 A HN 0.381 nan 8.150 nan 0.000 0.443 163 L N -0.618 120.625 121.223 0.034 0.000 2.012 163 L HA -0.182 4.158 4.340 0.001 0.000 0.210 163 L C 2.266 179.104 176.870 -0.054 0.000 1.073 163 L CA 2.510 57.340 54.840 -0.017 0.000 0.748 163 L CB -1.001 41.033 42.059 -0.043 0.000 0.891 163 L HN 0.563 nan 8.230 nan 0.000 0.431 164 H N -1.646 117.434 119.070 0.017 0.000 2.389 164 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 164 H C 2.290 177.622 175.328 0.007 0.000 1.081 164 H CA 1.641 57.700 56.048 0.018 0.000 1.345 164 H CB 0.022 29.793 29.762 0.014 0.000 1.393 164 H HN 0.159 nan 8.280 nan 0.000 0.520 165 R N 0.625 121.184 120.500 0.098 0.000 2.083 165 R HA -0.112 4.229 4.340 0.001 0.000 0.237 165 R C 2.025 178.307 176.300 -0.030 0.000 1.137 165 R CA 1.158 57.274 56.100 0.027 0.000 0.951 165 R CB -0.764 29.540 30.300 0.007 0.000 0.851 165 R HN 0.334 nan 8.270 nan 0.000 0.434 166 L N 0.058 121.250 121.223 -0.051 0.000 2.109 166 L HA 0.085 4.426 4.340 0.001 0.000 0.207 166 L C 2.002 178.826 176.870 -0.076 0.000 1.086 166 L CA 1.521 56.275 54.840 -0.144 0.000 0.760 166 L CB -0.367 41.622 42.059 -0.117 0.000 0.910 166 L HN 0.294 nan 8.230 nan 0.000 0.437 167 I N -0.285 120.311 120.570 0.043 0.000 2.208 167 I HA -0.327 3.844 4.170 0.001 0.000 0.245 167 I C 2.540 178.728 176.117 0.118 0.000 1.097 167 I CA 1.341 62.718 61.300 0.130 0.000 1.363 167 I CB -0.564 37.456 38.000 0.033 0.000 1.051 167 I HN 0.356 nan 8.210 nan 0.000 0.413 168 A N 0.443 123.298 122.820 0.059 0.000 1.930 168 A HA -0.094 4.227 4.320 0.001 0.000 0.217 168 A C 2.526 180.123 177.584 0.022 0.000 1.175 168 A CA 1.605 53.671 52.037 0.049 0.000 0.627 168 A CB -0.751 18.273 19.000 0.039 0.000 0.815 168 A HN 0.424 nan 8.150 nan 0.000 0.443 169 A N -0.832 121.964 122.820 -0.040 0.000 1.877 169 A HA -0.004 4.317 4.320 0.001 0.000 0.216 169 A C 1.902 179.489 177.584 0.006 0.000 1.186 169 A CA 1.609 53.590 52.037 -0.094 0.000 0.620 169 A CB -0.744 18.121 19.000 -0.224 0.000 0.822 169 A HN 0.430 nan 8.150 nan 0.000 0.443 170 F N 0.112 120.142 119.950 0.132 0.000 2.186 170 F HA -0.064 4.469 4.527 0.010 0.000 0.299 170 F C 2.367 178.261 175.800 0.158 0.000 1.090 170 F CA 1.340 59.485 58.000 0.241 0.000 1.307 170 F CB -0.758 38.403 39.000 0.267 0.000 1.019 170 F HN 0.326 nan 8.300 nan 0.000 0.489 171 E N -0.086 120.275 120.200 0.269 0.000 2.085 171 E HA -0.214 4.137 4.350 0.001 0.000 0.194 171 E C 2.408 179.041 176.600 0.057 0.000 0.994 171 E CA 1.186 57.670 56.400 0.139 0.000 0.801 171 E CB -0.296 29.462 29.700 0.096 0.000 0.743 171 E HN 0.332 nan 8.360 nan 0.000 0.453 172 A N 1.218 124.049 122.820 0.018 0.000 1.898 172 A HA -0.178 4.143 4.320 0.001 0.000 0.216 172 A C 1.937 179.412 177.584 -0.182 0.000 1.181 172 A CA 1.187 53.184 52.037 -0.067 0.000 0.620 172 A CB -0.180 18.779 19.000 -0.069 0.000 0.819 172 A HN -0.022 nan 8.150 nan 0.000 0.442 173 K N -0.425 119.850 120.400 -0.208 0.000 2.097 173 K HA -0.077 4.243 4.320 0.001 0.000 0.205 173 K C 2.092 178.406 176.600 -0.477 0.000 1.050 173 K CA 1.161 57.104 56.287 -0.573 0.000 0.938 173 K CB -0.930 31.246 32.500 -0.539 0.000 0.718 173 K HN 0.472 nan 8.250 nan 0.000 0.442 174 G N 1.355 110.121 108.800 -0.057 0.000 2.422 174 G HA2 -0.260 3.700 3.960 0.001 0.000 0.218 174 G HA3 -0.260 3.700 3.960 0.001 0.000 0.218 174 G C 1.724 176.605 174.900 -0.031 0.000 1.146 174 G CA 0.438 45.563 45.100 0.043 0.000 0.769 174 G HN 0.269 nan 8.290 nan 0.000 0.547 175 R N -0.033 120.420 120.500 -0.078 0.000 2.062 175 R HA 0.015 4.356 4.340 0.001 0.000 0.229 175 R C 2.485 178.722 176.300 -0.105 0.000 1.128 175 R CA 1.216 57.276 56.100 -0.067 0.000 0.960 175 R CB -0.341 29.923 30.300 -0.059 0.000 0.855 175 R HN 0.511 nan 8.270 nan 0.000 0.432 176 E N 0.074 120.128 120.200 -0.245 0.000 2.118 176 E HA -0.183 4.168 4.350 0.001 0.000 0.195 176 E C 0.564 177.113 176.600 -0.085 0.000 0.992 176 E CA 1.164 57.395 56.400 -0.282 0.000 0.804 176 E CB 0.098 29.442 29.700 -0.592 0.000 0.741 176 E HN 0.192 nan 8.360 nan 0.000 0.458 177 F N -0.229 119.675 119.950 -0.076 0.000 2.660 177 F HA 0.398 4.924 4.527 -0.002 0.000 0.302 177 F C 1.707 177.490 175.800 -0.030 0.000 1.103 177 F CA -0.057 57.901 58.000 -0.069 0.000 1.340 177 F CB -0.492 38.436 39.000 -0.120 0.000 1.048 177 F HN 0.049 nan 8.300 nan 0.000 0.551 178 A N 0.294 123.186 122.820 0.120 0.000 1.948 178 A HA -0.239 4.082 4.320 0.001 0.000 0.220 178 A C 2.198 179.820 177.584 0.063 0.000 1.177 178 A CA 2.483 54.563 52.037 0.072 0.000 0.636 178 A CB -1.125 17.896 19.000 0.035 0.000 0.815 178 A HN 0.372 nan 8.150 nan 0.000 0.449 179 T N -3.471 111.123 114.554 0.067 0.000 3.105 179 T HA 0.361 4.712 4.350 0.001 0.000 0.253 179 T C 0.124 174.846 174.700 0.038 0.000 1.047 179 T CA 0.153 62.279 62.100 0.043 0.000 0.944 179 T CB -0.128 68.761 68.868 0.035 0.000 1.016 179 T HN -0.006 nan 8.240 nan 0.000 0.544 180 V N 4.357 124.301 119.914 0.051 0.000 2.338 180 V HA 0.334 4.455 4.120 0.001 0.000 0.255 180 V C 0.547 176.641 176.094 0.001 0.000 1.082 180 V CA -1.255 61.050 62.300 0.007 0.000 0.951 180 V CB -1.174 30.623 31.823 -0.043 0.000 1.102 180 V HN 0.574 nan 8.190 nan 0.000 0.489 181 I N 3.602 124.170 120.570 -0.003 0.000 2.696 181 I HA 0.623 4.794 4.170 0.001 0.000 0.284 181 I C 0.149 176.257 176.117 -0.015 0.000 1.129 181 I CA 0.098 61.395 61.300 -0.005 0.000 1.410 181 I CB 0.293 38.290 38.000 -0.004 0.000 1.399 181 I HN 0.708 nan 8.210 nan 0.000 0.579 182 K N 4.011 124.404 120.400 -0.012 0.000 2.571 182 K HA 0.640 4.960 4.320 0.001 0.000 0.289 182 K C -1.370 175.224 176.600 -0.010 0.000 1.028 182 K CA -1.081 55.197 56.287 -0.014 0.000 0.895 182 K CB 1.145 33.635 32.500 -0.017 0.000 1.534 182 K HN 0.515 nan 8.250 nan 0.000 0.421 183 I N 2.012 122.576 120.570 -0.009 0.000 2.396 183 I HA 0.272 4.443 4.170 0.001 0.000 0.289 183 I C 0.360 176.473 176.117 -0.007 0.000 1.056 183 I CA 0.381 61.676 61.300 -0.008 0.000 1.365 183 I CB 0.666 38.662 38.000 -0.007 0.000 1.407 183 I HN 0.719 nan 8.210 nan 0.000 0.509 184 G N 7.440 116.234 108.800 -0.009 0.000 2.484 184 G HA2 0.218 4.179 3.960 0.001 0.000 0.235 184 G HA3 0.218 4.179 3.960 0.001 0.000 0.235 184 G C -0.296 174.599 174.900 -0.007 0.000 1.282 184 G CA -0.507 44.586 45.100 -0.011 0.000 0.857 184 G HN 0.687 nan 8.290 nan 0.000 0.571 185 R N 0.458 120.955 120.500 -0.006 0.000 2.476 185 R HA 0.477 4.818 4.340 0.001 0.000 0.305 185 R C -0.583 175.716 176.300 -0.002 0.000 0.965 185 R CA -0.631 55.468 56.100 -0.002 0.000 0.867 185 R CB 1.960 32.261 30.300 0.002 0.000 1.176 185 R HN 0.672 nan 8.270 nan 0.000 0.447 186 T N -0.366 114.187 114.554 -0.002 0.000 2.812 186 T HA 0.221 4.572 4.350 0.001 0.000 0.282 186 T C 0.198 174.898 174.700 0.001 0.000 0.990 186 T CA -0.884 61.215 62.100 -0.001 0.000 0.960 186 T CB 1.659 70.525 68.868 -0.002 0.000 0.948 186 T HN 0.720 nan 8.240 nan 0.000 0.438 187 Q N 1.566 121.367 119.800 0.002 0.000 2.480 187 Q HA -0.204 4.137 4.340 0.001 0.000 0.265 187 Q C 0.568 176.570 176.000 0.003 0.000 1.072 187 Q CA 0.703 56.508 55.803 0.003 0.000 1.018 187 Q CB -1.888 26.851 28.738 0.002 0.000 1.433 187 Q HN 0.908 nan 8.270 nan 0.000 0.513 188 L N -3.149 118.076 121.223 0.004 0.000 4.937 188 L HA -0.298 4.043 4.340 0.001 0.000 0.422 188 L C 0.089 176.961 176.870 0.003 0.000 1.059 188 L CA 0.984 55.827 54.840 0.004 0.000 1.111 188 L CB -1.241 40.822 42.059 0.005 0.000 2.033 188 L HN 0.347 nan 8.230 nan 0.000 0.708 189 Q N 0.997 120.799 119.800 0.002 0.000 2.230 189 Q HA 0.304 4.645 4.340 0.001 0.000 0.253 189 Q C -0.112 175.888 176.000 -0.000 0.000 0.919 189 Q CA -0.472 55.332 55.803 0.001 0.000 0.908 189 Q CB 1.197 29.936 28.738 0.001 0.000 1.245 189 Q HN 0.019 nan 8.270 nan 0.000 0.437 190 D N 1.448 121.847 120.400 -0.001 0.000 2.520 190 D HA 0.107 4.748 4.640 0.001 0.000 0.243 190 D C 0.153 176.451 176.300 -0.003 0.000 1.160 190 D CA 0.401 54.399 54.000 -0.003 0.000 0.877 190 D CB 0.796 41.593 40.800 -0.004 0.000 1.150 190 D HN 0.589 nan 8.370 nan 0.000 0.494 191 A N 2.690 125.508 122.820 -0.004 0.000 3.132 191 A HA 0.631 4.952 4.320 0.001 0.000 0.202 191 A C 0.050 177.630 177.584 -0.005 0.000 1.689 191 A CA 0.045 52.079 52.037 -0.004 0.000 1.770 191 A CB 0.060 19.058 19.000 -0.004 0.000 1.510 191 A HN 0.464 nan 8.150 nan 0.000 0.470 192 V N -2.783 117.128 119.914 -0.006 0.000 2.815 192 V HA 0.685 4.806 4.120 0.001 0.000 0.314 192 V C -3.172 172.917 176.094 -0.008 0.000 1.064 192 V CA -2.676 59.620 62.300 -0.007 0.000 0.952 192 V CB 1.179 32.999 31.823 -0.005 0.000 1.020 192 V HN 0.434 nan 8.190 nan 0.000 0.439 193 P HA 0.418 nan 4.420 nan 0.000 0.268 193 P C -0.317 176.978 177.300 -0.008 0.000 1.205 193 P CA 0.165 63.261 63.100 -0.008 0.000 0.771 193 P CB 0.433 32.129 31.700 -0.007 0.000 0.858 194 I N -1.461 119.103 120.570 -0.009 0.000 3.516 194 I HA 0.745 4.916 4.170 0.001 0.000 0.302 194 I C -0.413 175.702 176.117 -0.002 0.000 1.143 194 I CA -1.060 60.234 61.300 -0.009 0.000 1.003 194 I CB 2.023 40.012 38.000 -0.019 0.000 1.347 194 I HN 0.248 nan 8.210 nan 0.000 0.486 195 T N -0.720 113.837 114.554 0.004 0.000 2.925 195 T HA 0.405 4.756 4.350 0.001 0.000 0.285 195 T C 0.483 175.209 174.700 0.043 0.000 1.021 195 T CA -0.681 61.433 62.100 0.023 0.000 1.042 195 T CB 1.971 70.861 68.868 0.036 0.000 1.037 195 T HN 0.684 nan 8.240 nan 0.000 0.481 196 L N 2.639 123.901 121.223 0.065 0.000 2.093 196 L HA 0.216 4.557 4.340 0.001 0.000 0.208 196 L C 2.479 179.522 176.870 0.288 0.000 1.085 196 L CA 2.367 57.288 54.840 0.135 0.000 0.755 196 L CB -1.201 40.857 42.059 -0.001 0.000 0.904 196 L HN 1.004 nan 8.230 nan 0.000 0.435 197 G N -1.350 107.597 108.800 0.245 0.000 2.446 197 G HA2 -0.312 3.649 3.960 0.001 0.000 0.217 197 G HA3 -0.312 3.649 3.960 0.001 0.000 0.217 197 G C 1.465 176.441 174.900 0.126 0.000 1.168 197 G CA 0.837 46.066 45.100 0.215 0.000 0.771 197 G HN 0.518 nan 8.290 nan 0.000 0.551 198 Q N -0.306 119.528 119.800 0.056 0.000 2.124 198 Q HA -0.091 4.250 4.340 0.001 0.000 0.202 198 Q C 2.417 178.355 176.000 -0.103 0.000 0.977 198 Q CA 1.342 57.136 55.803 -0.015 0.000 0.850 198 Q CB -0.131 28.591 28.738 -0.026 0.000 0.901 198 Q HN 0.696 nan 8.270 nan 0.000 0.429 199 E N 0.021 120.148 120.200 -0.121 0.000 2.077 199 E HA -0.181 4.170 4.350 0.001 0.000 0.193 199 E C 1.468 177.555 176.600 -0.855 0.000 0.989 199 E CA 0.910 57.074 56.400 -0.394 0.000 0.800 199 E CB -0.006 29.532 29.700 -0.270 0.000 0.746 199 E HN 0.307 nan 8.360 nan 0.000 0.452 200 F N 0.622 120.275 119.950 -0.495 0.000 2.259 200 F HA -0.071 4.455 4.527 -0.002 0.000 0.298 200 F C 2.415 178.068 175.800 -0.246 0.000 1.088 200 F CA 1.084 58.855 58.000 -0.382 0.000 1.358 200 F CB 0.030 39.086 39.000 0.094 0.000 1.040 200 F HN 0.073 nan 8.300 nan 0.000 0.505 201 E N 0.929 121.121 120.200 -0.013 0.000 2.150 201 E HA -0.152 4.199 4.350 0.001 0.000 0.193 201 E C 2.077 178.619 176.600 -0.097 0.000 0.985 201 E CA 1.268 57.662 56.400 -0.010 0.000 0.814 201 E CB -0.352 29.351 29.700 0.006 0.000 0.752 201 E HN 0.239 nan 8.360 nan 0.000 0.466 202 A N -0.113 122.569 122.820 -0.230 0.000 1.933 202 A HA -0.101 4.220 4.320 0.001 0.000 0.218 202 A C 1.898 179.381 177.584 -0.167 0.000 1.175 202 A CA 1.304 53.212 52.037 -0.215 0.000 0.628 202 A CB -0.832 18.008 19.000 -0.266 0.000 0.814 202 A HN 0.317 nan 8.150 nan 0.000 0.444 203 F N 0.386 120.120 119.950 -0.361 0.000 2.095 203 F HA -0.135 4.393 4.527 0.002 0.000 0.298 203 F C 2.839 178.419 175.800 -0.367 0.000 1.104 203 F CA 0.442 58.072 58.000 -0.617 0.000 1.232 203 F CB -1.361 36.735 39.000 -1.507 0.000 0.987 203 F HN 0.276 nan 8.300 nan 0.000 0.475 204 A N 0.186 123.018 122.820 0.021 0.000 1.858 204 A HA -0.061 4.259 4.320 0.001 0.000 0.216 204 A C 2.500 180.124 177.584 0.067 0.000 1.190 204 A CA 2.216 54.349 52.037 0.160 0.000 0.617 204 A CB -1.401 17.718 19.000 0.197 0.000 0.827 204 A HN 0.307 nan 8.150 nan 0.000 0.443 205 A N -1.574 121.258 122.820 0.021 0.000 1.908 205 A HA -0.175 4.146 4.320 0.001 0.000 0.218 205 A C 2.388 179.972 177.584 -0.000 0.000 1.181 205 A CA 2.591 54.631 52.037 0.005 0.000 0.627 205 A CB -1.369 17.624 19.000 -0.012 0.000 0.818 205 A HN 0.485 nan 8.150 nan 0.000 0.445 206 T N -0.552 114.000 114.554 -0.004 0.000 2.821 206 T HA -0.031 4.320 4.350 0.001 0.000 0.267 206 T C 1.729 176.426 174.700 -0.005 0.000 1.046 206 T CA 1.452 63.547 62.100 -0.007 0.000 1.139 206 T CB -0.397 68.466 68.868 -0.008 0.000 0.871 206 T HN 0.381 nan 8.240 nan 0.000 0.454 207 L N 0.049 121.278 121.223 0.010 0.000 2.156 207 L HA 0.063 4.404 4.340 0.001 0.000 0.208 207 L C 2.956 179.811 176.870 -0.025 0.000 1.095 207 L CA 0.956 55.800 54.840 0.007 0.000 0.770 207 L CB -0.425 41.668 42.059 0.057 0.000 0.914 207 L HN 0.147 nan 8.230 nan 0.000 0.439 208 R N 0.359 120.848 120.500 -0.019 0.000 2.105 208 R HA -0.186 4.155 4.340 0.001 0.000 0.239 208 R C 2.010 178.291 176.300 -0.031 0.000 1.135 208 R CA 1.357 57.434 56.100 -0.039 0.000 0.967 208 R CB -0.222 30.071 30.300 -0.012 0.000 0.861 208 R HN 0.462 nan 8.270 nan 0.000 0.442 209 E N 0.111 120.299 120.200 -0.020 0.000 2.265 209 E HA -0.162 4.189 4.350 0.001 0.000 0.196 209 E C 1.065 177.651 176.600 -0.023 0.000 0.996 209 E CA 0.863 57.253 56.400 -0.017 0.000 0.832 209 E CB 0.078 29.768 29.700 -0.015 0.000 0.756 209 E HN 0.347 nan 8.360 nan 0.000 0.491 210 D N -0.274 120.106 120.400 -0.033 0.000 2.271 210 D HA -0.081 4.560 4.640 0.001 0.000 0.206 210 D C 2.155 178.436 176.300 -0.031 0.000 0.967 210 D CA 1.343 55.320 54.000 -0.038 0.000 0.867 210 D CB -0.071 40.701 40.800 -0.047 0.000 0.960 210 D HN 0.253 nan 8.370 nan 0.000 0.509 211 T N -0.034 114.494 114.554 -0.044 0.000 2.684 211 T HA -0.150 4.201 4.350 0.001 0.000 0.267 211 T C 2.167 176.891 174.700 0.040 0.000 1.036 211 T CA 1.621 63.711 62.100 -0.017 0.000 1.148 211 T CB -0.359 68.462 68.868 -0.079 0.000 0.863 211 T HN 0.068 nan 8.240 nan 0.000 0.436 212 A N 2.000 124.836 122.820 0.028 0.000 1.897 212 A HA 0.244 4.564 4.320 0.001 0.000 0.215 212 A C 2.849 180.447 177.584 0.024 0.000 1.181 212 A CA 2.153 54.210 52.037 0.034 0.000 0.620 212 A CB -1.294 17.721 19.000 0.025 0.000 0.821 212 A HN 0.718 nan 8.150 nan 0.000 0.443 213 R N -0.426 120.079 120.500 0.008 0.000 2.096 213 R HA 0.027 4.368 4.340 0.001 0.000 0.235 213 R C 2.074 178.382 176.300 0.013 0.000 1.127 213 R CA 1.690 57.790 56.100 0.000 0.000 0.968 213 R CB -1.629 28.662 30.300 -0.016 0.000 0.861 213 R HN 0.539 nan 8.270 nan 0.000 0.440 214 L N 0.681 121.916 121.223 0.020 0.000 2.012 214 L HA -0.130 4.211 4.340 0.001 0.000 0.210 214 L C 2.931 179.890 176.870 0.148 0.000 1.073 214 L CA 3.180 58.057 54.840 0.063 0.000 0.748 214 L CB -0.799 41.291 42.059 0.052 0.000 0.891 214 L HN 0.567 nan 8.230 nan 0.000 0.431 215 E N -0.466 119.795 120.200 0.101 0.000 2.051 215 E HA -0.215 4.135 4.350 0.001 0.000 0.192 215 E C 2.119 178.742 176.600 0.039 0.000 0.991 215 E CA 1.907 58.356 56.400 0.083 0.000 0.799 215 E CB -1.440 28.298 29.700 0.064 0.000 0.748 215 E HN 0.723 nan 8.360 nan 0.000 0.449 216 E N 0.121 120.333 120.200 0.020 0.000 2.106 216 E HA 0.024 4.375 4.350 0.001 0.000 0.192 216 E C 2.384 178.959 176.600 -0.042 0.000 0.984 216 E CA 1.241 57.632 56.400 -0.014 0.000 0.806 216 E CB -0.824 28.867 29.700 -0.015 0.000 0.750 216 E HN 0.436 nan 8.360 nan 0.000 0.458 217 V N 0.695 120.604 119.914 -0.009 0.000 2.453 217 V HA -0.028 4.093 4.120 0.001 0.000 0.247 217 V C 2.938 178.924 176.094 -0.180 0.000 1.048 217 V CA 1.503 63.778 62.300 -0.042 0.000 1.049 217 V CB -0.484 31.377 31.823 0.063 0.000 0.672 217 V HN 0.650 nan 8.190 nan 0.000 0.457 218 A N 0.235 123.027 122.820 -0.046 0.000 1.972 218 A HA -0.093 4.228 4.320 0.001 0.000 0.219 218 A C 2.416 179.837 177.584 -0.271 0.000 1.169 218 A CA 1.804 53.696 52.037 -0.242 0.000 0.635 218 A CB -0.660 18.369 19.000 0.048 0.000 0.810 218 A HN 0.561 nan 8.150 nan 0.000 0.446 219 A N 0.096 122.822 122.820 -0.158 0.000 1.978 219 A HA -0.113 4.208 4.320 0.001 0.000 0.220 219 A C 2.063 179.538 177.584 -0.182 0.000 1.170 219 A CA 1.512 53.476 52.037 -0.121 0.000 0.636 219 A CB -0.659 18.295 19.000 -0.077 0.000 0.810 219 A HN 0.522 nan 8.150 nan 0.000 0.448 220 L N -1.759 119.279 121.223 -0.308 0.000 2.129 220 L HA -0.219 4.122 4.340 0.001 0.000 0.212 220 L C 2.170 178.863 176.870 -0.294 0.000 1.087 220 L CA 1.174 55.812 54.840 -0.337 0.000 0.757 220 L CB -0.725 41.080 42.059 -0.423 0.000 0.896 220 L HN 0.377 nan 8.230 nan 0.000 0.434 221 F N 0.053 119.910 119.950 -0.154 0.000 2.451 221 F HA -0.102 4.425 4.527 0.001 0.000 0.299 221 F C 2.479 178.206 175.800 -0.121 0.000 1.101 221 F CA 0.628 58.529 58.000 -0.165 0.000 1.436 221 F CB -0.812 38.079 39.000 -0.182 0.000 1.074 221 F HN -0.036 nan 8.300 nan 0.000 0.553 222 R N 0.347 120.867 120.500 0.033 0.000 2.193 222 R HA -0.113 4.228 4.340 0.001 0.000 0.229 222 R C 0.728 177.020 176.300 -0.015 0.000 1.110 222 R CA 0.541 56.643 56.100 0.003 0.000 0.988 222 R CB -0.297 29.990 30.300 -0.022 0.000 0.871 222 R HN 0.269 nan 8.270 nan 0.000 0.458 223 E N 1.483 121.666 120.200 -0.028 0.000 2.070 223 E HA 0.109 4.460 4.350 0.001 0.000 0.282 223 E C -0.835 175.747 176.600 -0.030 0.000 1.104 223 E CA -0.438 55.939 56.400 -0.039 0.000 0.876 223 E CB 0.695 30.358 29.700 -0.062 0.000 1.055 223 E HN -0.010 nan 8.360 nan 0.000 0.401 224 V N 2.491 122.389 119.914 -0.026 0.000 2.919 224 V HA 0.436 4.557 4.120 0.001 0.000 0.316 224 V C 0.330 176.414 176.094 -0.017 0.000 1.077 224 V CA -0.918 61.370 62.300 -0.019 0.000 0.977 224 V CB 1.927 33.740 31.823 -0.017 0.000 1.039 224 V HN 0.742 nan 8.190 nan 0.000 0.441 225 N N 1.627 120.324 118.700 -0.004 0.000 2.235 225 N HA 0.109 4.850 4.740 0.001 0.000 0.209 225 N C 0.107 175.631 175.510 0.024 0.000 1.122 225 N CA -0.370 52.684 53.050 0.006 0.000 0.845 225 N CB -0.008 38.486 38.487 0.012 0.000 1.004 225 N HN 0.725 nan 8.380 nan 0.000 0.499 226 L N 1.232 122.464 121.223 0.015 0.000 2.640 226 L HA 0.227 4.567 4.340 0.001 0.000 0.280 226 L C 1.381 178.279 176.870 0.047 0.000 1.229 226 L CA 1.727 56.585 54.840 0.029 0.000 0.919 226 L CB -0.371 41.684 42.059 -0.007 0.000 1.168 226 L HN 0.591 nan 8.230 nan 0.000 0.496 227 G N 2.331 111.213 108.800 0.136 0.000 2.199 227 G HA2 -0.209 3.751 3.960 0.001 0.000 0.254 227 G HA3 -0.209 3.751 3.960 0.001 0.000 0.254 227 G C 0.515 175.507 174.900 0.154 0.000 0.982 227 G CA 0.141 45.381 45.100 0.234 0.000 0.632 227 G HN 1.204 nan 8.290 nan 0.000 0.529 241 Y N 1.953 122.252 120.300 -0.003 0.000 2.069 241 Y HA -0.124 4.427 4.550 0.001 0.000 0.278 241 Y C 2.591 178.495 175.900 0.007 0.000 1.175 241 Y CA 3.099 61.200 58.100 0.003 0.000 1.134 241 Y CB -0.568 37.897 38.460 0.007 0.000 0.965 241 Y HN 0.493 nan 8.280 nan 0.000 0.498 242 A N 0.316 123.041 122.820 -0.158 0.000 1.877 242 A HA -0.178 4.143 4.320 0.001 0.000 0.216 242 A C 2.226 179.681 177.584 -0.214 0.000 1.186 242 A CA 2.720 54.623 52.037 -0.224 0.000 0.620 242 A CB -1.626 17.373 19.000 -0.002 0.000 0.822 242 A HN 0.631 nan 8.150 nan 0.000 0.443 243 E N -0.675 119.452 120.200 -0.123 0.000 2.051 243 E HA -0.286 4.065 4.350 0.001 0.000 0.192 243 E C 1.994 178.520 176.600 -0.123 0.000 0.991 243 E CA 1.944 58.286 56.400 -0.096 0.000 0.799 243 E CB -0.781 28.886 29.700 -0.055 0.000 0.748 243 E HN 0.714 nan 8.360 nan 0.000 0.449 244 Q N -0.090 119.622 119.800 -0.146 0.000 2.084 244 Q HA 0.047 4.388 4.340 0.001 0.000 0.202 244 Q C 2.323 178.219 176.000 -0.173 0.000 0.978 244 Q CA 2.261 57.985 55.803 -0.133 0.000 0.844 244 Q CB -0.583 28.094 28.738 -0.102 0.000 0.898 244 Q HN 0.558 nan 8.270 nan 0.000 0.426 245 A N 0.018 122.642 122.820 -0.328 0.000 1.940 245 A HA -0.173 4.148 4.320 0.001 0.000 0.219 245 A C 2.109 179.596 177.584 -0.162 0.000 1.176 245 A CA 1.649 53.505 52.037 -0.301 0.000 0.631 245 A CB -0.737 17.935 19.000 -0.547 0.000 0.814 245 A HN 0.490 nan 8.150 nan 0.000 0.446 246 I N -0.744 119.737 120.570 -0.149 0.000 2.286 246 I HA -0.169 4.002 4.170 0.001 0.000 0.245 246 I C 2.316 178.395 176.117 -0.064 0.000 1.104 246 I CA 0.789 62.035 61.300 -0.089 0.000 1.397 246 I CB -0.267 37.688 38.000 -0.076 0.000 1.072 246 I HN 0.140 nan 8.210 nan 0.000 0.417 247 V N 0.828 120.704 119.914 -0.065 0.000 2.282 247 V HA -0.276 3.845 4.120 0.001 0.000 0.249 247 V C 2.532 178.606 176.094 -0.032 0.000 1.057 247 V CA 1.827 64.101 62.300 -0.043 0.000 1.032 247 V CB -0.657 31.142 31.823 -0.041 0.000 0.645 247 V HN 0.418 nan 8.190 nan 0.000 0.447 248 E N -0.240 119.939 120.200 -0.035 0.000 2.077 248 E HA -0.206 4.145 4.350 0.001 0.000 0.193 248 E C 2.119 178.712 176.600 -0.012 0.000 0.989 248 E CA 1.132 57.525 56.400 -0.012 0.000 0.800 248 E CB -0.533 29.168 29.700 0.001 0.000 0.746 248 E HN 0.472 nan 8.360 nan 0.000 0.452 249 L N 1.331 122.539 121.223 -0.026 0.000 2.056 249 L HA -0.102 4.239 4.340 0.001 0.000 0.207 249 L C 2.179 179.036 176.870 -0.023 0.000 1.078 249 L CA 1.611 56.438 54.840 -0.023 0.000 0.749 249 L CB -0.697 41.343 42.059 -0.032 0.000 0.901 249 L HN -0.083 nan 8.230 nan 0.000 0.433 250 S N -0.526 115.158 115.700 -0.026 0.000 2.365 250 S HA -0.335 4.135 4.470 0.001 0.000 0.225 250 S C 2.163 176.753 174.600 -0.017 0.000 1.039 250 S CA 1.836 60.023 58.200 -0.022 0.000 1.033 250 S CB -0.781 62.405 63.200 -0.023 0.000 0.887 250 S HN 0.753 nan 8.310 nan 0.000 0.447 251 Q N 0.895 120.687 119.800 -0.013 0.000 2.020 251 Q HA 0.010 4.351 4.340 0.001 0.000 0.202 251 Q C 2.114 178.110 176.000 -0.007 0.000 0.982 251 Q CA 1.778 57.576 55.803 -0.007 0.000 0.838 251 Q CB -1.135 27.602 28.738 -0.001 0.000 0.899 251 Q HN 0.689 nan 8.270 nan 0.000 0.423 252 I N 1.503 122.069 120.570 -0.006 0.000 2.208 252 I HA -0.248 3.922 4.170 0.001 0.000 0.245 252 I C 2.747 178.854 176.117 -0.016 0.000 1.097 252 I CA 1.933 63.229 61.300 -0.008 0.000 1.363 252 I CB -0.054 37.943 38.000 -0.005 0.000 1.051 252 I HN 0.567 nan 8.210 nan 0.000 0.413 253 S N -0.173 115.515 115.700 -0.020 0.000 2.503 253 S HA 0.182 4.653 4.470 0.001 0.000 0.217 253 S C 1.732 176.319 174.600 -0.022 0.000 0.999 253 S CA 0.402 58.587 58.200 -0.026 0.000 0.914 253 S CB 0.429 63.610 63.200 -0.031 0.000 0.782 253 S HN 0.594 nan 8.310 nan 0.000 0.520 254 G N 0.916 109.706 108.800 -0.018 0.000 2.148 254 G HA2 -0.226 3.735 3.960 0.001 0.000 0.254 254 G HA3 -0.226 3.735 3.960 0.001 0.000 0.254 254 G C -0.098 174.793 174.900 -0.016 0.000 0.981 254 G CA 0.426 45.517 45.100 -0.016 0.000 0.670 254 G HN 0.602 nan 8.290 nan 0.000 0.528 255 I N 0.839 121.398 120.570 -0.017 0.000 2.418 255 I HA 0.603 4.774 4.170 0.001 0.000 0.287 255 I C 0.568 176.675 176.117 -0.017 0.000 1.008 255 I CA -0.344 60.946 61.300 -0.016 0.000 1.104 255 I CB 1.690 39.681 38.000 -0.016 0.000 1.264 255 I HN 0.244 nan 8.210 nan 0.000 0.438 256 E N 7.938 128.128 120.200 -0.016 0.000 2.265 256 E HA 0.469 4.820 4.350 0.001 0.000 0.272 256 E C -0.869 175.719 176.600 -0.020 0.000 1.067 256 E CA 0.004 56.393 56.400 -0.018 0.000 0.900 256 E CB 0.358 30.048 29.700 -0.017 0.000 1.017 256 E HN 0.539 nan 8.360 nan 0.000 0.431 257 L N 0.802 122.011 121.223 -0.023 0.000 2.304 257 L HA 0.950 5.291 4.340 0.001 0.000 0.268 257 L C 0.575 177.427 176.870 -0.029 0.000 1.010 257 L CA -0.940 53.885 54.840 -0.025 0.000 0.813 257 L CB 1.951 43.995 42.059 -0.026 0.000 1.315 257 L HN 0.702 nan 8.230 nan 0.000 0.445 258 K N 0.325 120.706 120.400 -0.031 0.000 2.532 258 K HA 0.850 5.171 4.320 0.001 0.000 0.265 258 K C -0.791 175.788 176.600 -0.035 0.000 0.948 258 K CA -0.175 56.092 56.287 -0.033 0.000 0.842 258 K CB 1.517 33.997 32.500 -0.033 0.000 1.392 258 K HN 0.786 nan 8.250 nan 0.000 0.436 259 A N 1.029 123.828 122.820 -0.035 0.000 2.477 259 A HA 0.524 4.844 4.320 0.001 0.000 0.246 259 A C 0.751 178.315 177.584 -0.035 0.000 1.078 259 A CA 0.701 52.718 52.037 -0.033 0.000 0.770 259 A CB -0.109 18.873 19.000 -0.030 0.000 1.011 259 A HN 1.066 nan 8.150 nan 0.000 0.494 260 T N 1.608 116.140 114.554 -0.036 0.000 2.926 260 T HA 0.349 4.700 4.350 0.001 0.000 0.307 260 T C 1.569 176.245 174.700 -0.039 0.000 1.059 260 T CA 0.495 62.567 62.100 -0.045 0.000 1.122 260 T CB 0.644 69.479 68.868 -0.055 0.000 0.972 260 T HN 0.834 nan 8.240 nan 0.000 0.545 261 G N 3.595 112.368 108.800 -0.044 0.000 2.396 261 G HA2 -0.030 3.931 3.960 0.001 0.000 0.214 261 G HA3 -0.030 3.931 3.960 0.001 0.000 0.214 261 G C 0.774 175.654 174.900 -0.034 0.000 1.166 261 G CA 0.034 45.112 45.100 -0.036 0.000 0.793 261 G HN 0.682 nan 8.290 nan 0.000 0.533 262 N N 0.367 119.038 118.700 -0.048 0.000 2.511 262 N HA 0.330 5.071 4.740 0.001 0.000 0.249 262 N C 1.030 176.508 175.510 -0.054 0.000 0.971 262 N CA -0.317 52.705 53.050 -0.046 0.000 0.938 262 N CB 1.643 40.096 38.487 -0.056 0.000 1.131 262 N HN 0.016 nan 8.380 nan 0.000 0.505 263 L N 2.570 123.776 121.223 -0.027 0.000 2.179 263 L HA -0.028 4.312 4.340 0.001 0.000 0.208 263 L C 1.871 178.735 176.870 -0.009 0.000 1.096 263 L CA 0.671 55.502 54.840 -0.016 0.000 0.779 263 L CB 0.072 42.135 42.059 0.007 0.000 0.922 263 L HN 0.356 nan 8.230 nan 0.000 0.443 264 V N -0.144 119.773 119.914 0.006 0.000 2.427 264 V HA -0.271 3.850 4.120 0.001 0.000 0.248 264 V C 2.433 178.525 176.094 -0.003 0.000 1.051 264 V CA 1.870 64.196 62.300 0.044 0.000 1.048 264 V CB -0.443 31.422 31.823 0.070 0.000 0.666 264 V HN 0.507 nan 8.190 nan 0.000 0.456 265 E N 0.599 120.731 120.200 -0.114 0.000 2.047 265 E HA -0.199 4.152 4.350 0.001 0.000 0.191 265 E C 2.248 178.539 176.600 -0.516 0.000 0.987 265 E CA 1.317 57.495 56.400 -0.370 0.000 0.799 265 E CB -0.179 29.343 29.700 -0.297 0.000 0.752 265 E HN 0.534 nan 8.360 nan 0.000 0.449 266 A N 1.132 123.794 122.820 -0.264 0.000 1.972 266 A HA -0.194 4.127 4.320 0.001 0.000 0.219 266 A C 2.320 179.825 177.584 -0.131 0.000 1.169 266 A CA 1.939 53.857 52.037 -0.199 0.000 0.635 266 A CB -0.774 18.163 19.000 -0.106 0.000 0.810 266 A HN 0.473 nan 8.150 nan 0.000 0.446 267 S N -0.394 115.267 115.700 -0.066 0.000 2.400 267 S HA -0.188 4.283 4.470 0.001 0.000 0.232 267 S C 1.635 176.332 174.600 0.161 0.000 1.025 267 S CA 1.380 59.619 58.200 0.066 0.000 0.993 267 S CB -0.724 62.549 63.200 0.122 0.000 0.808 267 S HN 1.026 nan 8.310 nan 0.000 0.478 268 W N 0.754 122.081 121.300 0.045 0.000 2.870 268 W HA 0.472 5.133 4.660 0.001 0.000 0.358 268 W C -0.509 176.055 176.519 0.075 0.000 1.043 268 W CA -0.509 56.870 57.345 0.056 0.000 1.692 268 W CB -0.707 28.777 29.460 0.041 0.000 1.100 268 W HN 0.134 nan 8.180 nan 0.000 0.557 269 D N 2.652 122.916 120.400 -0.226 0.000 2.390 269 D HA 0.119 4.760 4.640 0.001 0.000 0.249 269 D C 1.130 177.434 176.300 0.006 0.000 1.144 269 D CA 1.126 54.971 54.000 -0.259 0.000 0.880 269 D CB 1.489 42.020 40.800 -0.448 0.000 1.182 269 D HN 0.024 nan 8.370 nan 0.000 0.451 270 T N -0.092 114.536 114.554 0.123 0.000 3.200 270 T HA 0.281 4.632 4.350 0.001 0.000 0.284 270 T C 1.739 176.493 174.700 0.090 0.000 1.009 270 T CA -0.098 62.141 62.100 0.232 0.000 0.907 270 T CB 0.511 69.670 68.868 0.486 0.000 1.120 270 T HN 0.310 nan 8.240 nan 0.000 0.534 271 G N 2.093 110.882 108.800 -0.019 0.000 2.513 271 G HA2 -0.126 3.835 3.960 0.001 0.000 0.219 271 G HA3 -0.126 3.835 3.960 0.001 0.000 0.219 271 G C 1.723 176.595 174.900 -0.047 0.000 1.160 271 G CA 0.884 45.973 45.100 -0.019 0.000 0.767 271 G HN 0.730 nan 8.290 nan 0.000 0.571 272 A N 0.219 122.929 122.820 -0.184 0.000 1.930 272 A HA 0.181 4.502 4.320 0.001 0.000 0.217 272 A C 2.143 179.769 177.584 0.070 0.000 1.175 272 A CA 1.463 53.384 52.037 -0.193 0.000 0.627 272 A CB -0.451 18.331 19.000 -0.363 0.000 0.815 272 A HN 0.287 nan 8.150 nan 0.000 0.443 273 F N -0.156 119.988 119.950 0.324 0.000 2.186 273 F HA -0.094 4.434 4.527 0.001 0.000 0.299 273 F C 2.403 178.361 175.800 0.264 0.000 1.090 273 F CA 0.971 59.177 58.000 0.343 0.000 1.307 273 F CB -1.090 38.033 39.000 0.206 0.000 1.019 273 F HN 0.015 nan 8.300 nan 0.000 0.489 274 V N -0.237 119.885 119.914 0.347 0.000 2.295 274 V HA -0.289 3.832 4.120 0.001 0.000 0.246 274 V C 2.297 178.493 176.094 0.169 0.000 1.049 274 V CA 2.456 64.891 62.300 0.225 0.000 1.024 274 V CB -1.229 30.697 31.823 0.172 0.000 0.648 274 V HN 0.380 nan 8.190 nan 0.000 0.447 275 T N -0.021 114.613 114.554 0.134 0.000 2.746 275 T HA -0.213 4.138 4.350 0.001 0.000 0.267 275 T C 1.715 176.489 174.700 0.124 0.000 1.039 275 T CA 1.960 64.111 62.100 0.084 0.000 1.142 275 T CB -0.420 68.462 68.868 0.023 0.000 0.866 275 T HN 0.401 nan 8.240 nan 0.000 0.444 276 F N 1.532 121.527 119.950 0.075 0.000 2.146 276 F HA -0.031 4.496 4.527 0.001 0.000 0.298 276 F C 2.774 178.652 175.800 0.131 0.000 1.096 276 F CA 1.217 59.291 58.000 0.123 0.000 1.275 276 F CB -0.566 38.628 39.000 0.324 0.000 1.008 276 F HN 0.079 nan 8.300 nan 0.000 0.480 277 S N -0.209 115.631 115.700 0.233 0.000 2.399 277 S HA -0.128 4.343 4.470 0.001 0.000 0.231 277 S C 2.342 176.938 174.600 -0.006 0.000 1.022 277 S CA 1.388 59.649 58.200 0.102 0.000 0.983 277 S CB -1.096 62.199 63.200 0.158 0.000 0.803 277 S HN 0.539 nan 8.310 nan 0.000 0.480 278 G N 1.029 109.834 108.800 0.009 0.000 2.422 278 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 278 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 278 G C 1.408 176.263 174.900 -0.075 0.000 1.140 278 G CA 0.809 45.899 45.100 -0.017 0.000 0.775 278 G HN 0.581 nan 8.290 nan 0.000 0.545 279 I N 0.175 120.655 120.570 -0.150 0.000 2.353 279 I HA -0.019 4.152 4.170 0.001 0.000 0.248 279 I C 2.572 178.558 176.117 -0.219 0.000 1.119 279 I CA 0.637 61.819 61.300 -0.197 0.000 1.417 279 I CB 0.027 37.876 38.000 -0.253 0.000 1.078 279 I HN 0.111 nan 8.210 nan 0.000 0.421 280 L N 0.335 121.387 121.223 -0.285 0.000 2.012 280 L HA -0.234 4.107 4.340 0.001 0.000 0.210 280 L C 2.774 179.581 176.870 -0.105 0.000 1.073 280 L CA 1.238 55.959 54.840 -0.198 0.000 0.748 280 L CB -0.993 40.961 42.059 -0.176 0.000 0.891 280 L HN 0.286 nan 8.230 nan 0.000 0.431 281 R N 0.952 121.406 120.500 -0.075 0.000 2.096 281 R HA -0.219 4.122 4.340 0.001 0.000 0.240 281 R C 2.360 178.637 176.300 -0.038 0.000 1.139 281 R CA 1.988 58.066 56.100 -0.037 0.000 0.952 281 R CB -0.429 29.861 30.300 -0.017 0.000 0.854 281 R HN 0.336 nan 8.270 nan 0.000 0.436 282 R N 0.145 120.614 120.500 -0.052 0.000 2.081 282 R HA -0.070 4.271 4.340 0.001 0.000 0.235 282 R C 2.467 178.738 176.300 -0.048 0.000 1.131 282 R CA 1.585 57.658 56.100 -0.044 0.000 0.960 282 R CB -0.319 29.951 30.300 -0.050 0.000 0.856 282 R HN 0.259 nan 8.270 nan 0.000 0.436 283 I N 0.925 121.456 120.570 -0.065 0.000 2.226 283 I HA -0.234 3.937 4.170 0.001 0.000 0.245 283 I C 2.585 178.669 176.117 -0.054 0.000 1.100 283 I CA 1.278 62.542 61.300 -0.060 0.000 1.374 283 I CB -0.362 37.594 38.000 -0.073 0.000 1.057 283 I HN 0.322 nan 8.210 nan 0.000 0.413 284 A N 0.284 123.071 122.820 -0.055 0.000 1.902 284 A HA -0.160 4.161 4.320 0.001 0.000 0.217 284 A C 2.440 179.994 177.584 -0.049 0.000 1.181 284 A CA 1.700 53.704 52.037 -0.056 0.000 0.623 284 A CB -0.958 18.017 19.000 -0.043 0.000 0.818 284 A HN 0.242 nan 8.150 nan 0.000 0.443 285 V N -0.070 119.828 119.914 -0.028 0.000 2.343 285 V HA -0.284 3.837 4.120 0.001 0.000 0.247 285 V C 2.502 178.578 176.094 -0.030 0.000 1.051 285 V CA 2.493 64.785 62.300 -0.012 0.000 1.036 285 V CB -0.591 31.230 31.823 -0.002 0.000 0.654 285 V HN 0.571 nan 8.190 nan 0.000 0.451 286 K N -0.741 119.635 120.400 -0.040 0.000 2.062 286 K HA -0.098 4.223 4.320 0.001 0.000 0.205 286 K C 2.049 178.601 176.600 -0.079 0.000 1.051 286 K CA 1.052 57.309 56.287 -0.050 0.000 0.941 286 K CB -0.306 32.170 32.500 -0.040 0.000 0.719 286 K HN 0.212 nan 8.250 nan 0.000 0.440 287 L N 0.969 122.147 121.223 -0.074 0.000 2.046 287 L HA -0.147 4.194 4.340 0.001 0.000 0.208 287 L C 2.353 179.150 176.870 -0.122 0.000 1.077 287 L CA 1.634 56.422 54.840 -0.088 0.000 0.747 287 L CB -0.706 41.314 42.059 -0.066 0.000 0.896 287 L HN 0.061 nan 8.230 nan 0.000 0.432 288 S N -0.971 114.656 115.700 -0.122 0.000 2.356 288 S HA -0.228 4.243 4.470 0.001 0.000 0.223 288 S C 2.219 176.757 174.600 -0.103 0.000 1.032 288 S CA 1.372 59.485 58.200 -0.144 0.000 1.005 288 S CB -0.360 62.749 63.200 -0.152 0.000 0.867 288 S HN 0.384 nan 8.310 nan 0.000 0.449 289 K N 1.105 121.457 120.400 -0.080 0.000 2.032 289 K HA -0.086 4.235 4.320 0.001 0.000 0.209 289 K C 2.045 178.556 176.600 -0.148 0.000 1.048 289 K CA 1.750 57.993 56.287 -0.074 0.000 0.927 289 K CB -0.731 31.738 32.500 -0.051 0.000 0.712 289 K HN 0.524 nan 8.250 nan 0.000 0.441 290 I N 0.865 121.285 120.570 -0.250 0.000 2.179 290 I HA -0.271 3.899 4.170 0.001 0.000 0.242 290 I C 2.518 178.388 176.117 -0.411 0.000 1.088 290 I CA 1.257 62.239 61.300 -0.530 0.000 1.357 290 I CB -0.376 37.200 38.000 -0.708 0.000 1.051 290 I HN 0.155 nan 8.210 nan 0.000 0.409 291 A N 1.027 123.707 122.820 -0.233 0.000 1.902 291 A HA -0.215 4.105 4.320 0.001 0.000 0.217 291 A C 2.051 179.572 177.584 -0.104 0.000 1.181 291 A CA 1.894 53.843 52.037 -0.146 0.000 0.623 291 A CB -0.696 18.235 19.000 -0.116 0.000 0.818 291 A HN 0.412 nan 8.150 nan 0.000 0.443 292 N N 0.839 119.486 118.700 -0.089 0.000 2.061 292 N HA -0.167 4.574 4.740 0.001 0.000 0.193 292 N C 1.200 176.687 175.510 -0.038 0.000 1.030 292 N CA 1.768 54.794 53.050 -0.041 0.000 0.856 292 N CB -0.628 37.849 38.487 -0.015 0.000 1.023 292 N HN 0.456 nan 8.380 nan 0.000 0.424 293 D N 0.728 121.086 120.400 -0.069 0.000 2.104 293 D HA -0.090 4.550 4.640 0.001 0.000 0.194 293 D C 2.185 178.478 176.300 -0.012 0.000 0.994 293 D CA 0.582 54.565 54.000 -0.029 0.000 0.830 293 D CB -0.412 40.384 40.800 -0.007 0.000 0.959 293 D HN 0.241 nan 8.370 nan 0.000 0.452 294 L N 0.237 121.420 121.223 -0.066 0.000 2.083 294 L HA -0.124 4.217 4.340 0.001 0.000 0.209 294 L C 2.544 179.439 176.870 0.042 0.000 1.083 294 L CA 1.084 55.935 54.840 0.019 0.000 0.752 294 L CB -0.282 41.787 42.059 0.016 0.000 0.899 294 L HN -0.017 nan 8.230 nan 0.000 0.433 295 R N -0.468 120.040 120.500 0.014 0.000 2.092 295 R HA -0.146 4.195 4.340 0.001 0.000 0.231 295 R C 2.193 178.510 176.300 0.027 0.000 1.119 295 R CA 1.018 57.131 56.100 0.021 0.000 0.970 295 R CB -0.392 29.914 30.300 0.011 0.000 0.864 295 R HN 0.186 nan 8.270 nan 0.000 0.440 296 L N 1.015 122.253 121.223 0.025 0.000 2.044 296 L HA -0.064 4.277 4.340 0.001 0.000 0.205 296 L C 1.970 178.862 176.870 0.037 0.000 1.075 296 L CA 1.535 56.392 54.840 0.028 0.000 0.747 296 L CB -0.349 41.724 42.059 0.024 0.000 0.903 296 L HN 0.102 nan 8.230 nan 0.000 0.435 297 L N -0.743 120.512 121.223 0.054 0.000 2.191 297 L HA -0.130 4.211 4.340 0.001 0.000 0.212 297 L C 2.073 178.980 176.870 0.061 0.000 1.103 297 L CA 1.277 56.157 54.840 0.067 0.000 0.769 297 L CB -0.598 41.528 42.059 0.112 0.000 0.908 297 L HN 0.489 nan 8.230 nan 0.000 0.438 298 S N -1.810 113.927 115.700 0.062 0.000 2.557 298 S HA 0.078 4.549 4.470 0.001 0.000 0.223 298 S C 0.845 175.467 174.600 0.036 0.000 0.969 298 S CA -0.343 57.890 58.200 0.054 0.000 0.927 298 S CB -0.276 62.964 63.200 0.067 0.000 0.806 298 S HN 0.343 nan 8.310 nan 0.000 0.489 299 S N 0.518 116.237 115.700 0.031 0.000 2.568 299 S HA 0.681 5.152 4.470 0.001 0.000 0.282 299 S C 0.843 175.454 174.600 0.018 0.000 1.338 299 S CA 0.161 58.375 58.200 0.023 0.000 1.045 299 S CB 0.635 63.847 63.200 0.020 0.000 0.873 299 S HN 1.394 nan 8.310 nan 0.000 0.516 300 G N 1.716 110.525 108.800 0.016 0.000 2.233 300 G HA2 0.089 4.050 3.960 0.001 0.000 0.162 300 G HA3 0.089 4.050 3.960 0.001 0.000 0.162 300 G C -2.286 172.621 174.900 0.012 0.000 1.327 300 G CA -0.164 44.944 45.100 0.012 0.000 1.187 300 G HN 0.654 nan 8.290 nan 0.000 0.479 301 P HA 0.158 nan 4.420 nan 0.000 0.236 301 P C 1.256 178.559 177.300 0.006 0.000 1.177 301 P CA 0.781 63.886 63.100 0.009 0.000 0.773 301 P CB 0.252 31.957 31.700 0.008 0.000 0.878 302 R N -0.887 119.616 120.500 0.006 0.000 2.225 302 R HA 0.234 4.575 4.340 0.001 0.000 0.194 302 R C 1.332 177.634 176.300 0.004 0.000 0.949 302 R CA 0.450 56.552 56.100 0.004 0.000 1.088 302 R CB 0.161 30.463 30.300 0.004 0.000 1.106 302 R HN -0.051 nan 8.270 nan 0.000 0.566 303 S N 0.268 115.971 115.700 0.005 0.000 2.588 303 S HA 0.328 4.799 4.470 0.001 0.000 0.245 303 S C 0.189 174.793 174.600 0.007 0.000 1.021 303 S CA -0.372 57.831 58.200 0.005 0.000 1.006 303 S CB 1.423 64.626 63.200 0.005 0.000 0.830 303 S HN 0.425 nan 8.310 nan 0.000 0.468 304 G N 0.681 109.486 108.800 0.008 0.000 3.175 304 G HA2 0.549 4.510 3.960 0.001 0.000 0.153 304 G HA3 0.549 4.510 3.960 0.001 0.000 0.153 304 G C 0.452 175.357 174.900 0.009 0.000 1.216 304 G CA -0.559 44.547 45.100 0.010 0.000 0.943 304 G HN 0.261 nan 8.290 nan 0.000 0.611 305 L N 0.146 121.377 121.223 0.012 0.000 2.202 305 L HA 0.222 4.563 4.340 0.001 0.000 0.205 305 L C 2.188 179.063 176.870 0.008 0.000 1.083 305 L CA 0.820 55.667 54.840 0.011 0.000 0.790 305 L CB -0.389 41.680 42.059 0.016 0.000 0.942 305 L HN 0.833 nan 8.230 nan 0.000 0.452 306 G N 0.752 109.558 108.800 0.011 0.000 2.233 306 G HA2 -0.309 3.651 3.960 0.001 0.000 0.270 306 G HA3 -0.309 3.651 3.960 0.001 0.000 0.270 306 G C 0.723 175.622 174.900 -0.002 0.000 1.011 306 G CA 0.824 45.928 45.100 0.007 0.000 0.762 306 G HN 0.487 nan 8.290 nan 0.000 0.511 307 E N -0.764 119.437 120.200 0.002 0.000 2.112 307 E HA 0.154 4.505 4.350 0.001 0.000 0.190 307 E C 1.648 178.224 176.600 -0.039 0.000 0.979 307 E CA 1.120 57.510 56.400 -0.017 0.000 0.814 307 E CB 0.141 29.839 29.700 -0.004 0.000 0.762 307 E HN 0.902 nan 8.360 nan 0.000 0.460 308 I N -2.110 118.463 120.570 0.004 0.000 3.002 308 I HA 0.493 4.664 4.170 0.001 0.000 0.310 308 I C -0.844 175.292 176.117 0.032 0.000 1.087 308 I CA -1.291 60.009 61.300 -0.000 0.000 1.017 308 I CB 2.065 40.124 38.000 0.099 0.000 1.226 308 I HN -0.314 nan 8.210 nan 0.000 0.443 309 R N 4.072 124.592 120.500 0.034 0.000 2.387 309 R HA 0.631 4.972 4.340 0.001 0.000 0.314 309 R C -1.142 175.203 176.300 0.075 0.000 0.958 309 R CA -0.803 55.325 56.100 0.046 0.000 0.846 309 R CB 1.960 32.278 30.300 0.030 0.000 1.147 309 R HN 0.562 nan 8.270 nan 0.000 0.447 310 L N 3.871 125.139 121.223 0.076 0.000 2.395 310 L HA 0.347 4.688 4.340 0.001 0.000 0.269 310 L C -1.865 175.039 176.870 0.057 0.000 1.133 310 L CA -2.223 52.666 54.840 0.081 0.000 0.812 310 L CB 0.367 42.471 42.059 0.075 0.000 1.125 310 L HN 0.230 nan 8.230 nan 0.000 0.452 311 P HA -0.004 nan 4.420 nan 0.000 0.262 311 P C -0.688 176.629 177.300 0.029 0.000 1.182 311 P CA -0.046 63.075 63.100 0.036 0.000 0.761 311 P CB 0.530 32.249 31.700 0.030 0.000 0.795 312 A N 3.413 126.247 122.820 0.023 0.000 2.347 312 A HA 0.326 4.646 4.320 0.001 0.000 0.287 312 A C 1.045 178.638 177.584 0.016 0.000 1.199 312 A CA -0.165 51.883 52.037 0.019 0.000 0.851 312 A CB -0.351 18.659 19.000 0.017 0.000 1.118 312 A HN 0.508 nan 8.150 nan 0.000 0.525 313 V N 0.194 120.117 119.914 0.014 0.000 3.556 313 V HA 0.237 4.358 4.120 0.001 0.000 0.287 313 V C 0.432 176.532 176.094 0.010 0.000 1.422 313 V CA 0.514 62.821 62.300 0.011 0.000 1.038 313 V CB -0.831 30.997 31.823 0.009 0.000 0.850 313 V HN 0.831 nan 8.190 nan 0.000 0.437 314 Q N 1.900 121.706 119.800 0.011 0.000 2.333 314 Q HA 0.534 4.875 4.340 0.001 0.000 0.267 314 Q C -2.797 173.210 176.000 0.010 0.000 1.012 314 Q CA -1.886 53.923 55.803 0.010 0.000 0.824 314 Q CB 2.266 31.010 28.738 0.011 0.000 1.290 314 Q HN 0.330 nan 8.270 nan 0.000 0.449 315 P HA 0.166 nan 4.420 nan 0.000 0.264 315 P C -0.397 176.909 177.300 0.009 0.000 1.193 315 P CA -0.033 63.073 63.100 0.009 0.000 0.763 315 P CB 0.827 32.532 31.700 0.008 0.000 0.810 316 G N 0.771 109.576 108.800 0.009 0.000 2.568 316 G HA2 0.469 4.430 3.960 0.001 0.000 0.293 316 G HA3 0.469 4.430 3.960 0.001 0.000 0.293 316 G C -0.877 174.028 174.900 0.008 0.000 1.347 316 G CA -0.483 44.622 45.100 0.009 0.000 1.039 316 G HN 0.516 nan 8.290 nan 0.000 0.523 317 S N -1.406 114.299 115.700 0.008 0.000 2.451 317 S HA 0.354 4.824 4.470 0.001 0.000 0.301 317 S C 1.523 176.127 174.600 0.007 0.000 1.116 317 S CA 0.274 58.479 58.200 0.007 0.000 1.093 317 S CB 1.480 64.684 63.200 0.007 0.000 1.017 317 S HN 0.756 nan 8.310 nan 0.000 0.482 318 S N 4.097 119.800 115.700 0.006 0.000 2.400 318 S HA -0.087 4.384 4.470 0.001 0.000 0.232 318 S C 1.418 176.021 174.600 0.005 0.000 1.025 318 S CA 1.384 59.587 58.200 0.006 0.000 0.993 318 S CB -0.430 62.773 63.200 0.005 0.000 0.808 318 S HN 0.807 nan 8.310 nan 0.000 0.478 319 I N 0.262 120.835 120.570 0.005 0.000 3.793 319 I HA 0.281 4.452 4.170 0.001 0.000 0.315 319 I C -0.119 176.002 176.117 0.005 0.000 1.275 319 I CA 0.223 61.526 61.300 0.005 0.000 1.214 319 I CB 0.116 38.118 38.000 0.005 0.000 1.018 319 I HN 0.248 nan 8.210 nan 0.000 0.439 320 M N 3.268 122.872 119.600 0.006 0.000 2.634 320 M HA 0.402 4.883 4.480 0.001 0.000 0.211 320 M C -2.616 173.689 176.300 0.007 0.000 1.019 320 M CA -1.922 53.382 55.300 0.007 0.000 0.834 320 M CB 0.195 32.799 32.600 0.007 0.000 1.376 320 M HN -0.131 nan 8.290 nan 0.000 0.465 321 P HA 0.478 nan 4.420 nan 0.000 0.276 321 P C 0.854 178.159 177.300 0.008 0.000 1.244 321 P CA 0.552 63.656 63.100 0.007 0.000 0.801 321 P CB 1.491 33.195 31.700 0.006 0.000 1.006 322 G N 0.935 109.740 108.800 0.009 0.000 2.336 322 G HA2 -0.260 3.701 3.960 0.001 0.000 0.233 322 G HA3 -0.260 3.701 3.960 0.001 0.000 0.233 322 G C 0.343 175.250 174.900 0.011 0.000 1.053 322 G CA 0.227 45.333 45.100 0.009 0.000 0.625 322 G HN 0.750 nan 8.290 nan 0.000 0.511 323 K N 1.012 121.419 120.400 0.011 0.000 2.402 323 K HA 0.444 4.764 4.320 0.001 0.000 0.285 323 K C -0.471 176.137 176.600 0.014 0.000 1.054 323 K CA 0.064 56.358 56.287 0.012 0.000 1.001 323 K CB 0.406 32.913 32.500 0.011 0.000 0.946 323 K HN 0.152 nan 8.250 nan 0.000 0.473 324 V N 5.516 125.440 119.914 0.016 0.000 2.340 324 V HA 0.120 4.241 4.120 0.001 0.000 0.277 324 V C -0.548 175.559 176.094 0.020 0.000 1.017 324 V CA -1.230 61.082 62.300 0.019 0.000 0.820 324 V CB 1.042 32.878 31.823 0.022 0.000 1.028 324 V HN 0.756 nan 8.190 nan 0.000 0.436 325 N N 6.210 124.921 118.700 0.018 0.000 2.497 325 N HA 0.225 4.966 4.740 0.001 0.000 0.268 325 N C -2.218 173.304 175.510 0.020 0.000 1.171 325 N CA -1.244 51.817 53.050 0.018 0.000 0.948 325 N CB 1.307 39.803 38.487 0.016 0.000 1.069 325 N HN 0.373 nan 8.380 nan 0.000 0.460 326 P HA 0.040 nan 4.420 nan 0.000 0.225 326 P C 1.165 178.473 177.300 0.015 0.000 1.813 326 P CA -0.241 62.873 63.100 0.022 0.000 1.013 326 P CB -0.152 31.562 31.700 0.024 0.000 1.961 327 V N -0.490 119.432 119.914 0.013 0.000 2.427 327 V HA -0.174 3.947 4.120 0.001 0.000 0.248 327 V C 1.933 178.028 176.094 0.002 0.000 1.051 327 V CA 1.252 63.557 62.300 0.008 0.000 1.048 327 V CB -1.171 30.658 31.823 0.010 0.000 0.666 327 V HN 0.081 nan 8.190 nan 0.000 0.456 328 I N 0.790 121.362 120.570 0.003 0.000 2.163 328 I HA -0.021 4.150 4.170 0.001 0.000 0.240 328 I C 0.402 176.509 176.117 -0.017 0.000 1.081 328 I CA 1.402 62.699 61.300 -0.006 0.000 1.353 328 I CB -2.788 35.209 38.000 -0.004 0.000 1.054 328 I HN 0.328 nan 8.210 nan 0.000 0.407 329 P HA -0.170 nan 4.420 nan 0.000 0.216 329 P C 1.540 178.814 177.300 -0.043 0.000 1.150 329 P CA 1.495 64.577 63.100 -0.029 0.000 0.843 329 P CB -0.044 31.646 31.700 -0.016 0.000 0.787 330 E N -0.361 119.825 120.200 -0.024 0.000 2.085 330 E HA -0.174 4.177 4.350 0.001 0.000 0.194 330 E C 2.160 178.738 176.600 -0.037 0.000 0.994 330 E CA 1.802 58.189 56.400 -0.021 0.000 0.801 330 E CB -0.474 29.227 29.700 0.002 0.000 0.743 330 E HN 0.344 nan 8.360 nan 0.000 0.453 331 S N 0.304 115.985 115.700 -0.031 0.000 2.402 331 S HA -0.109 4.361 4.470 0.001 0.000 0.229 331 S C 2.171 176.732 174.600 -0.066 0.000 1.021 331 S CA 0.918 59.097 58.200 -0.035 0.000 0.974 331 S CB -0.375 62.812 63.200 -0.020 0.000 0.800 331 S HN 0.047 nan 8.310 nan 0.000 0.484 332 V N 3.145 123.011 119.914 -0.079 0.000 2.307 332 V HA -0.197 3.924 4.120 0.001 0.000 0.245 332 V C 2.406 178.386 176.094 -0.191 0.000 1.045 332 V CA 2.240 64.474 62.300 -0.109 0.000 1.024 332 V CB -1.381 30.388 31.823 -0.091 0.000 0.651 332 V HN 0.546 nan 8.190 nan 0.000 0.449 333 N N -0.184 118.376 118.700 -0.234 0.000 2.061 333 N HA -0.261 4.480 4.740 0.001 0.000 0.193 333 N C 1.930 177.057 175.510 -0.638 0.000 1.030 333 N CA 1.598 54.365 53.050 -0.471 0.000 0.856 333 N CB -0.211 38.082 38.487 -0.322 0.000 1.023 333 N HN 0.564 nan 8.380 nan 0.000 0.424 334 Q N 0.160 119.800 119.800 -0.267 0.000 2.084 334 Q HA -0.097 4.243 4.340 0.001 0.000 0.202 334 Q C 2.117 178.055 176.000 -0.103 0.000 0.978 334 Q CA 1.026 56.768 55.803 -0.102 0.000 0.844 334 Q CB -0.029 28.707 28.738 -0.003 0.000 0.898 334 Q HN 0.243 nan 8.270 nan 0.000 0.426 335 V N -0.013 119.828 119.914 -0.122 0.000 2.358 335 V HA -0.300 3.821 4.120 0.001 0.000 0.246 335 V C 2.273 178.306 176.094 -0.102 0.000 1.047 335 V CA 1.426 63.677 62.300 -0.081 0.000 1.035 335 V CB -0.353 31.429 31.823 -0.069 0.000 0.658 335 V HN 0.526 nan 8.190 nan 0.000 0.452 336 C N -0.765 118.413 119.300 -0.204 0.000 2.429 336 C HA -0.153 4.308 4.460 0.001 0.000 0.277 336 C C 2.584 177.528 174.990 -0.076 0.000 1.262 336 C CA 0.592 59.497 59.018 -0.188 0.000 1.733 336 C CB -1.100 26.465 27.740 -0.292 0.000 2.010 336 C HN 0.618 nan 8.230 nan 0.000 0.483 337 Y N 0.948 121.241 120.300 -0.011 0.000 2.224 337 Y HA -0.183 4.370 4.550 0.004 0.000 0.289 337 Y C 2.550 178.447 175.900 -0.005 0.000 1.146 337 Y CA 1.471 59.566 58.100 -0.008 0.000 1.182 337 Y CB -1.388 37.069 38.460 -0.005 0.000 0.983 337 Y HN 0.331 nan 8.280 nan 0.000 0.524 338 Q N 0.373 120.246 119.800 0.122 0.000 2.050 338 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 338 Q C 2.314 178.338 176.000 0.040 0.000 0.980 338 Q CA 1.886 57.730 55.803 0.069 0.000 0.840 338 Q CB -0.621 28.139 28.738 0.038 0.000 0.898 338 Q HN 0.294 nan 8.270 nan 0.000 0.424 339 V N 0.343 120.268 119.914 0.019 0.000 2.392 339 V HA -0.268 3.853 4.120 0.001 0.000 0.249 339 V C 2.180 178.285 176.094 0.020 0.000 1.059 339 V CA 1.860 64.162 62.300 0.002 0.000 1.051 339 V CB -0.500 31.311 31.823 -0.020 0.000 0.658 339 V HN 0.400 nan 8.190 nan 0.000 0.455 340 I N 0.320 120.919 120.570 0.048 0.000 2.315 340 I HA -0.119 4.052 4.170 0.001 0.000 0.248 340 I C 2.533 178.678 176.117 0.047 0.000 1.117 340 I CA 1.533 62.866 61.300 0.054 0.000 1.404 340 I CB -0.792 37.262 38.000 0.089 0.000 1.071 340 I HN 0.393 nan 8.210 nan 0.000 0.419 341 G N 0.792 109.624 108.800 0.054 0.000 2.404 341 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 341 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 341 G C 1.400 176.321 174.900 0.036 0.000 1.174 341 G CA 0.602 45.728 45.100 0.044 0.000 0.780 341 G HN 0.281 nan 8.290 nan 0.000 0.537 342 N N 0.877 119.593 118.700 0.027 0.000 2.223 342 N HA -0.088 4.653 4.740 0.001 0.000 0.185 342 N C 1.760 177.281 175.510 0.019 0.000 1.016 342 N CA 1.387 54.443 53.050 0.011 0.000 0.863 342 N CB -0.403 38.069 38.487 -0.024 0.000 0.983 342 N HN 0.421 nan 8.380 nan 0.000 0.429 343 D N 0.121 120.536 120.400 0.025 0.000 2.144 343 D HA -0.107 4.534 4.640 0.001 0.000 0.199 343 D C 1.873 178.200 176.300 0.044 0.000 0.984 343 D CA 0.412 54.434 54.000 0.037 0.000 0.834 343 D CB -0.089 40.729 40.800 0.030 0.000 0.955 343 D HN 0.097 nan 8.370 nan 0.000 0.465 344 L N 0.185 121.430 121.223 0.037 0.000 2.046 344 L HA -0.076 4.265 4.340 0.001 0.000 0.208 344 L C 2.159 179.051 176.870 0.037 0.000 1.077 344 L CA 1.867 56.728 54.840 0.036 0.000 0.747 344 L CB -1.113 40.963 42.059 0.028 0.000 0.896 344 L HN 0.013 nan 8.230 nan 0.000 0.432 345 T N -0.927 113.649 114.554 0.036 0.000 2.720 345 T HA -0.175 4.175 4.350 0.001 0.000 0.268 345 T C 1.973 176.695 174.700 0.037 0.000 1.037 345 T CA 1.748 63.870 62.100 0.036 0.000 1.144 345 T CB -0.404 68.493 68.868 0.048 0.000 0.864 345 T HN 0.224 nan 8.240 nan 0.000 0.444 346 V N 1.444 121.387 119.914 0.048 0.000 2.295 346 V HA -0.195 3.926 4.120 0.001 0.000 0.246 346 V C 2.793 178.945 176.094 0.097 0.000 1.049 346 V CA 2.057 64.400 62.300 0.072 0.000 1.024 346 V CB -1.190 30.686 31.823 0.090 0.000 0.648 346 V HN 0.522 nan 8.190 nan 0.000 0.447 347 T N -0.050 114.556 114.554 0.086 0.000 2.699 347 T HA -0.262 4.089 4.350 0.001 0.000 0.268 347 T C 1.875 176.625 174.700 0.084 0.000 1.036 347 T CA 2.014 64.168 62.100 0.091 0.000 1.147 347 T CB -0.298 68.611 68.868 0.069 0.000 0.862 347 T HN 0.327 nan 8.240 nan 0.000 0.446 348 M N 0.604 120.236 119.600 0.055 0.000 2.132 348 M HA -0.026 4.455 4.480 0.001 0.000 0.263 348 M C 2.884 179.207 176.300 0.039 0.000 1.065 348 M CA 1.468 56.788 55.300 0.033 0.000 1.122 348 M CB -0.525 32.074 32.600 -0.003 0.000 1.365 348 M HN 0.316 nan 8.290 nan 0.000 0.411 349 A N 0.689 123.531 122.820 0.037 0.000 1.865 349 A HA -0.127 4.194 4.320 0.001 0.000 0.217 349 A C 2.383 180.115 177.584 0.247 0.000 1.191 349 A CA 2.190 54.286 52.037 0.100 0.000 0.623 349 A CB -1.066 17.993 19.000 0.099 0.000 0.826 349 A HN 0.504 nan 8.150 nan 0.000 0.444 350 A N -0.856 122.089 122.820 0.209 0.000 1.902 350 A HA -0.191 4.129 4.320 0.001 0.000 0.217 350 A C 2.065 179.782 177.584 0.222 0.000 1.181 350 A CA 1.838 54.023 52.037 0.246 0.000 0.623 350 A CB -0.457 18.688 19.000 0.242 0.000 0.818 350 A HN 0.542 nan 8.150 nan 0.000 0.443 351 E N 0.432 120.732 120.200 0.167 0.000 2.274 351 E HA -0.057 4.294 4.350 0.001 0.000 0.194 351 E C 1.009 177.686 176.600 0.128 0.000 0.996 351 E CA 0.992 57.471 56.400 0.131 0.000 0.840 351 E CB -0.082 29.673 29.700 0.093 0.000 0.772 351 E HN 0.494 nan 8.360 nan 0.000 0.491 352 S N 0.371 116.180 115.700 0.182 0.000 2.710 352 S HA 0.199 4.669 4.470 0.001 0.000 0.224 352 S C 0.606 175.358 174.600 0.255 0.000 0.948 352 S CA 0.153 58.491 58.200 0.230 0.000 0.949 352 S CB 0.416 63.793 63.200 0.296 0.000 0.778 352 S HN 0.291 nan 8.310 nan 0.000 0.498 353 G N 1.265 110.171 108.800 0.176 0.000 2.554 353 G HA2 0.353 4.314 3.960 0.001 0.000 0.238 353 G HA3 0.353 4.314 3.960 0.001 0.000 0.238 353 G C -0.482 174.395 174.900 -0.039 0.000 1.259 353 G CA -0.246 44.906 45.100 0.087 0.000 0.843 353 G HN 0.394 nan 8.290 nan 0.000 0.582 354 Q N 0.607 120.355 119.800 -0.088 0.000 2.274 354 Q HA 0.475 4.816 4.340 0.001 0.000 0.268 354 Q C 0.374 176.273 176.000 -0.168 0.000 1.015 354 Q CA -0.724 54.998 55.803 -0.134 0.000 0.775 354 Q CB 2.271 30.964 28.738 -0.075 0.000 1.256 354 Q HN 0.572 nan 8.270 nan 0.000 0.442 355 L N 0.418 121.481 121.223 -0.267 0.000 6.412 355 L HA -0.437 3.904 4.340 0.001 0.000 0.053 355 L C 0.665 177.448 176.870 -0.146 0.000 2.199 355 L CA 1.099 55.809 54.840 -0.216 0.000 1.611 355 L CB -0.999 41.002 42.059 -0.098 0.000 2.801 355 L HN 0.650 nan 8.230 nan 0.000 1.044 356 Q N 0.221 120.030 119.800 0.015 0.000 2.282 356 Q HA 0.539 4.880 4.340 0.001 0.000 0.205 356 Q C -0.665 175.437 176.000 0.169 0.000 0.915 356 Q CA 0.463 56.359 55.803 0.155 0.000 0.949 356 Q CB 0.367 29.175 28.738 0.117 0.000 1.035 356 Q HN 0.297 nan 8.270 nan 0.000 0.484 357 L N -0.490 120.805 121.223 0.119 0.000 2.556 357 L HA 0.406 4.747 4.340 0.001 0.000 0.257 357 L C -1.777 175.135 176.870 0.069 0.000 0.955 357 L CA -0.461 54.446 54.840 0.112 0.000 0.850 357 L CB 1.988 44.067 42.059 0.033 0.000 1.398 357 L HN -0.097 nan 8.230 nan 0.000 0.412 358 N N 2.443 121.206 118.700 0.105 0.000 2.426 358 N HA 0.410 5.151 4.740 0.001 0.000 0.257 358 N C 0.235 175.659 175.510 -0.143 0.000 1.002 358 N CA 0.405 53.469 53.050 0.024 0.000 0.942 358 N CB 2.123 40.721 38.487 0.185 0.000 1.112 358 N HN 0.799 nan 8.380 nan 0.000 0.499 359 A N 3.481 125.995 122.820 -0.510 0.000 2.235 359 A HA 0.092 4.413 4.320 0.001 0.000 0.208 359 A C 0.058 177.285 177.584 -0.595 0.000 1.172 359 A CA 0.470 52.109 52.037 -0.665 0.000 0.786 359 A CB -0.348 18.129 19.000 -0.872 0.000 0.804 359 A HN 0.585 nan 8.150 nan 0.000 0.479 360 F N -0.449 119.515 119.950 0.024 0.000 2.764 360 F HA 0.250 4.777 4.527 0.001 0.000 0.310 360 F C 1.298 177.089 175.800 -0.015 0.000 1.124 360 F CA -0.928 57.072 58.000 -0.001 0.000 1.252 360 F CB -0.210 38.802 39.000 0.020 0.000 1.010 360 F HN 0.263 nan 8.300 nan 0.000 0.518 361 E N 0.846 121.119 120.200 0.121 0.000 2.204 361 E HA -0.152 4.198 4.350 0.001 0.000 0.195 361 E C -0.744 175.910 176.600 0.091 0.000 0.990 361 E CA 1.041 57.474 56.400 0.055 0.000 0.821 361 E CB -0.988 28.781 29.700 0.115 0.000 0.750 361 E HN 0.331 nan 8.360 nan 0.000 0.477 362 P HA -0.182 nan 4.420 nan 0.000 0.215 362 P C 1.550 178.834 177.300 -0.028 0.000 1.153 362 P CA 0.888 64.026 63.100 0.065 0.000 0.853 362 P CB 0.034 31.674 31.700 -0.100 0.000 0.788 363 L N -0.975 120.226 121.223 -0.036 0.000 2.056 363 L HA -0.090 4.251 4.340 0.001 0.000 0.207 363 L C 2.192 179.038 176.870 -0.040 0.000 1.078 363 L CA 1.619 56.412 54.840 -0.078 0.000 0.749 363 L CB -1.096 40.945 42.059 -0.029 0.000 0.901 363 L HN -0.148 nan 8.230 nan 0.000 0.433 364 I N -1.458 119.076 120.570 -0.059 0.000 2.127 364 I HA -0.311 3.860 4.170 0.001 0.000 0.241 364 I C 2.521 178.523 176.117 -0.192 0.000 1.075 364 I CA 1.670 62.885 61.300 -0.142 0.000 1.334 364 I CB -0.515 37.315 38.000 -0.282 0.000 1.040 364 I HN 0.198 nan 8.210 nan 0.000 0.405 365 V N -0.111 119.675 119.914 -0.213 0.000 2.548 365 V HA -0.294 3.827 4.120 0.001 0.000 0.249 365 V C 2.290 178.335 176.094 -0.082 0.000 1.055 365 V CA 1.608 63.781 62.300 -0.212 0.000 1.065 365 V CB -0.455 31.227 31.823 -0.237 0.000 0.681 365 V HN 0.489 nan 8.190 nan 0.000 0.462 366 Y N 1.446 121.650 120.300 -0.160 0.000 2.163 366 Y HA -0.171 4.380 4.550 0.001 0.000 0.288 366 Y C 2.424 178.270 175.900 -0.091 0.000 1.136 366 Y CA 2.182 60.200 58.100 -0.137 0.000 1.147 366 Y CB -0.602 37.724 38.460 -0.223 0.000 0.987 366 Y HN 0.335 nan 8.280 nan 0.000 0.509 367 N N 0.459 118.975 118.700 -0.308 0.000 2.120 367 N HA -0.185 4.556 4.740 0.001 0.000 0.188 367 N C 1.956 177.346 175.510 -0.201 0.000 1.024 367 N CA 2.021 54.874 53.050 -0.328 0.000 0.852 367 N CB -0.223 38.183 38.487 -0.136 0.000 1.003 367 N HN 0.431 nan 8.380 nan 0.000 0.424 368 I N 1.199 121.705 120.570 -0.106 0.000 2.252 368 I HA -0.211 3.959 4.170 0.001 0.000 0.245 368 I C 2.143 178.254 176.117 -0.010 0.000 1.102 368 I CA 0.765 62.066 61.300 0.001 0.000 1.385 368 I CB -0.174 37.878 38.000 0.086 0.000 1.064 368 I HN 0.051 nan 8.210 nan 0.000 0.414 369 L N -0.087 121.091 121.223 -0.075 0.000 2.093 369 L HA -0.160 4.181 4.340 0.001 0.000 0.208 369 L C 2.668 179.482 176.870 -0.093 0.000 1.085 369 L CA 1.079 55.878 54.840 -0.068 0.000 0.755 369 L CB -0.537 41.476 42.059 -0.077 0.000 0.904 369 L HN 0.179 nan 8.230 nan 0.000 0.435 370 S N -0.729 114.862 115.700 -0.181 0.000 2.356 370 S HA -0.167 4.304 4.470 0.001 0.000 0.223 370 S C 2.215 176.753 174.600 -0.104 0.000 1.032 370 S CA 1.506 59.599 58.200 -0.179 0.000 1.005 370 S CB -0.214 62.774 63.200 -0.353 0.000 0.867 370 S HN 0.308 nan 8.310 nan 0.000 0.449 371 S N 1.542 117.184 115.700 -0.096 0.000 2.382 371 S HA -0.009 4.462 4.470 0.001 0.000 0.228 371 S C 1.917 176.508 174.600 -0.016 0.000 1.027 371 S CA 1.163 59.335 58.200 -0.046 0.000 0.991 371 S CB -0.360 62.822 63.200 -0.031 0.000 0.823 371 S HN 0.415 nan 8.310 nan 0.000 0.469 372 M N 0.615 120.224 119.600 0.015 0.000 2.086 372 M HA -0.133 4.347 4.480 0.001 0.000 0.261 372 M C 2.422 178.729 176.300 0.011 0.000 1.067 372 M CA 1.461 56.788 55.300 0.045 0.000 1.116 372 M CB -0.397 32.263 32.600 0.100 0.000 1.348 372 M HN 0.229 nan 8.290 nan 0.000 0.407 373 R N 1.130 121.621 120.500 -0.014 0.000 2.073 373 R HA -0.138 4.202 4.340 0.001 0.000 0.234 373 R C 2.016 178.305 176.300 -0.017 0.000 1.134 373 R CA 1.479 57.565 56.100 -0.023 0.000 0.952 373 R CB -0.447 29.824 30.300 -0.049 0.000 0.850 373 R HN 0.337 nan 8.270 nan 0.000 0.433 374 L N 0.825 122.036 121.223 -0.020 0.000 2.013 374 L HA -0.237 4.104 4.340 0.001 0.000 0.212 374 L C 2.615 179.472 176.870 -0.022 0.000 1.073 374 L CA 1.411 56.241 54.840 -0.017 0.000 0.753 374 L CB -0.447 41.600 42.059 -0.021 0.000 0.890 374 L HN 0.297 nan 8.230 nan 0.000 0.432 375 L N -0.781 120.428 121.223 -0.023 0.000 2.056 375 L HA -0.122 4.219 4.340 0.001 0.000 0.207 375 L C 2.651 179.510 176.870 -0.020 0.000 1.078 375 L CA 1.312 56.135 54.840 -0.028 0.000 0.749 375 L CB -1.004 41.037 42.059 -0.031 0.000 0.901 375 L HN 0.334 nan 8.230 nan 0.000 0.433 376 G N -0.294 108.501 108.800 -0.008 0.000 2.418 376 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 376 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 376 G C 1.735 176.630 174.900 -0.009 0.000 1.158 376 G CA 0.503 45.602 45.100 -0.001 0.000 0.771 376 G HN 0.282 nan 8.290 nan 0.000 0.545 377 R N 0.353 120.846 120.500 -0.012 0.000 2.090 377 R HA 0.209 4.550 4.340 0.001 0.000 0.228 377 R C 3.022 179.309 176.300 -0.021 0.000 1.110 377 R CA 0.876 56.968 56.100 -0.014 0.000 0.973 377 R CB -0.292 30.002 30.300 -0.009 0.000 0.869 377 R HN 0.327 nan 8.270 nan 0.000 0.440 378 A N 1.178 123.982 122.820 -0.026 0.000 1.883 378 A HA -0.209 4.112 4.320 0.001 0.000 0.217 378 A C 2.170 179.730 177.584 -0.041 0.000 1.186 378 A CA 1.540 53.556 52.037 -0.036 0.000 0.624 378 A CB -0.453 18.520 19.000 -0.046 0.000 0.822 378 A HN 0.185 nan 8.150 nan 0.000 0.444 379 M N -1.008 118.569 119.600 -0.038 0.000 2.132 379 M HA -0.124 4.357 4.480 0.001 0.000 0.263 379 M C 2.304 178.570 176.300 -0.056 0.000 1.065 379 M CA 1.933 57.206 55.300 -0.045 0.000 1.122 379 M CB -0.772 31.811 32.600 -0.029 0.000 1.365 379 M HN 0.474 nan 8.290 nan 0.000 0.411 380 T N 0.870 115.401 114.554 -0.038 0.000 2.635 380 T HA -0.143 4.208 4.350 0.001 0.000 0.267 380 T C 1.549 176.223 174.700 -0.044 0.000 1.040 380 T CA 1.655 63.733 62.100 -0.037 0.000 1.156 380 T CB -0.495 68.361 68.868 -0.021 0.000 0.863 380 T HN 0.337 nan 8.240 nan 0.000 0.430 381 N N 1.161 119.839 118.700 -0.037 0.000 2.166 381 N HA -0.028 4.712 4.740 0.001 0.000 0.186 381 N C 1.731 177.213 175.510 -0.046 0.000 1.019 381 N CA 0.585 53.614 53.050 -0.035 0.000 0.856 381 N CB -0.698 37.774 38.487 -0.025 0.000 0.993 381 N HN 0.197 nan 8.380 nan 0.000 0.426 382 L N 1.024 122.210 121.223 -0.061 0.000 2.046 382 L HA -0.061 4.280 4.340 0.001 0.000 0.208 382 L C 2.063 178.860 176.870 -0.122 0.000 1.077 382 L CA 1.553 56.345 54.840 -0.079 0.000 0.747 382 L CB -0.950 41.058 42.059 -0.085 0.000 0.896 382 L HN 0.144 nan 8.230 nan 0.000 0.432 383 A N -0.835 121.892 122.820 -0.156 0.000 1.845 383 A HA -0.214 4.106 4.320 0.001 0.000 0.215 383 A C 2.204 179.724 177.584 -0.105 0.000 1.195 383 A CA 1.867 53.794 52.037 -0.183 0.000 0.616 383 A CB -0.675 18.228 19.000 -0.163 0.000 0.832 383 A HN 0.577 nan 8.150 nan 0.000 0.443 384 E N -0.805 119.352 120.200 -0.071 0.000 2.072 384 E HA -0.090 4.261 4.350 0.001 0.000 0.190 384 E C 1.872 178.454 176.600 -0.031 0.000 0.982 384 E CA 0.893 57.267 56.400 -0.044 0.000 0.803 384 E CB -0.067 29.613 29.700 -0.033 0.000 0.755 384 E HN 0.494 nan 8.360 nan 0.000 0.453 385 R N -0.950 119.533 120.500 -0.028 0.000 2.362 385 R HA 0.207 4.548 4.340 0.001 0.000 0.227 385 R C 1.212 177.510 176.300 -0.004 0.000 0.905 385 R CA -0.068 56.025 56.100 -0.013 0.000 1.067 385 R CB 0.566 30.859 30.300 -0.011 0.000 1.078 385 R HN 0.164 nan 8.270 nan 0.000 0.516 386 C N -1.605 117.690 119.300 -0.007 0.000 3.115 386 C HA 0.133 4.594 4.460 0.001 0.000 0.281 386 C C 2.277 177.289 174.990 0.037 0.000 2.312 386 C CA -0.068 58.962 59.018 0.020 0.000 1.650 386 C CB -0.035 27.718 27.740 0.022 0.000 1.514 386 C HN 0.115 nan 8.230 nan 0.000 0.707 387 V N 2.376 122.294 119.914 0.008 0.000 2.287 387 V HA -0.170 3.951 4.120 0.001 0.000 0.248 387 V C 2.043 178.145 176.094 0.014 0.000 1.053 387 V CA 2.774 65.100 62.300 0.042 0.000 1.027 387 V CB -0.786 30.950 31.823 -0.145 0.000 0.646 387 V HN 0.574 nan 8.190 nan 0.000 0.447 388 D N 0.709 121.088 120.400 -0.035 0.000 2.182 388 D HA -0.115 4.526 4.640 0.001 0.000 0.201 388 D C 1.959 178.248 176.300 -0.019 0.000 0.986 388 D CA 1.702 55.678 54.000 -0.041 0.000 0.847 388 D CB -0.280 40.494 40.800 -0.042 0.000 0.942 388 D HN 0.539 nan 8.370 nan 0.000 0.467 389 G N -0.569 108.237 108.800 0.010 0.000 3.277 389 G HA2 0.183 4.144 3.960 0.001 0.000 0.243 389 G HA3 0.183 4.144 3.960 0.001 0.000 0.243 389 G C 0.652 175.590 174.900 0.064 0.000 1.107 389 G CA -0.362 44.754 45.100 0.026 0.000 0.771 389 G HN 0.148 nan 8.290 nan 0.000 0.544 390 I N 1.509 122.138 120.570 0.098 0.000 2.710 390 I HA 0.090 4.260 4.170 0.001 0.000 0.286 390 I C -0.135 176.114 176.117 0.221 0.000 1.181 390 I CA 0.451 61.852 61.300 0.168 0.000 1.430 390 I CB 0.778 38.934 38.000 0.260 0.000 1.367 390 I HN 0.028 nan 8.210 nan 0.000 0.577 391 E N 4.722 125.021 120.200 0.165 0.000 2.288 391 E HA 0.578 4.929 4.350 0.001 0.000 0.268 391 E C -0.846 175.716 176.600 -0.063 0.000 0.885 391 E CA -0.884 55.599 56.400 0.139 0.000 0.767 391 E CB 2.152 31.898 29.700 0.077 0.000 1.220 391 E HN 0.596 nan 8.360 nan 0.000 0.427 392 A N 2.510 125.175 122.820 -0.258 0.000 2.327 392 A HA 0.320 4.641 4.320 0.001 0.000 0.283 392 A C 0.016 177.491 177.584 -0.181 0.000 1.127 392 A CA -0.582 51.198 52.037 -0.429 0.000 0.810 392 A CB 0.101 18.654 19.000 -0.744 0.000 1.066 392 A HN 0.410 nan 8.150 nan 0.000 0.492 393 N N 2.734 121.348 118.700 -0.143 0.000 2.807 393 N HA 0.171 4.912 4.740 0.001 0.000 0.259 393 N C 1.283 176.741 175.510 -0.086 0.000 1.149 393 N CA -0.105 52.897 53.050 -0.081 0.000 1.042 393 N CB 1.056 39.512 38.487 -0.051 0.000 1.367 393 N HN 0.382 nan 8.380 nan 0.000 0.516 394 V N 1.972 121.838 119.914 -0.080 0.000 2.287 394 V HA -0.301 3.820 4.120 0.001 0.000 0.248 394 V C 2.669 178.736 176.094 -0.044 0.000 1.053 394 V CA 2.686 64.945 62.300 -0.068 0.000 1.027 394 V CB -0.825 30.972 31.823 -0.043 0.000 0.646 394 V HN 0.689 nan 8.190 nan 0.000 0.447 395 E N 0.563 120.744 120.200 -0.032 0.000 2.051 395 E HA -0.323 4.028 4.350 0.001 0.000 0.192 395 E C 2.169 178.755 176.600 -0.023 0.000 0.991 395 E CA 1.839 58.226 56.400 -0.023 0.000 0.799 395 E CB -0.650 29.040 29.700 -0.016 0.000 0.748 395 E HN 0.550 nan 8.360 nan 0.000 0.449 396 R N -0.022 120.462 120.500 -0.026 0.000 2.081 396 R HA -0.040 4.300 4.340 0.001 0.000 0.235 396 R C 2.359 178.643 176.300 -0.026 0.000 1.131 396 R CA 1.807 57.894 56.100 -0.023 0.000 0.960 396 R CB -1.402 28.886 30.300 -0.021 0.000 0.856 396 R HN 0.550 nan 8.270 nan 0.000 0.436 397 C N 0.251 119.527 119.300 -0.039 0.000 2.413 397 C HA -0.092 4.368 4.460 0.001 0.000 0.277 397 C C 2.709 177.682 174.990 -0.028 0.000 1.228 397 C CA 1.347 60.341 59.018 -0.040 0.000 1.731 397 C CB -1.019 26.682 27.740 -0.066 0.000 2.042 397 C HN 0.641 nan 8.230 nan 0.000 0.468 398 R N 1.605 122.088 120.500 -0.027 0.000 2.083 398 R HA -0.136 4.205 4.340 0.001 0.000 0.237 398 R C 2.150 178.441 176.300 -0.015 0.000 1.137 398 R CA 2.177 58.266 56.100 -0.019 0.000 0.951 398 R CB -0.602 29.688 30.300 -0.017 0.000 0.851 398 R HN 0.409 nan 8.270 nan 0.000 0.434 399 A N 0.447 123.258 122.820 -0.015 0.000 1.908 399 A HA -0.084 4.236 4.320 0.001 0.000 0.218 399 A C 2.501 180.078 177.584 -0.011 0.000 1.181 399 A CA 1.812 53.841 52.037 -0.012 0.000 0.627 399 A CB -1.564 17.430 19.000 -0.011 0.000 0.818 399 A HN 0.640 nan 8.150 nan 0.000 0.445 400 G N -0.513 108.279 108.800 -0.012 0.000 2.446 400 G HA2 -0.062 3.898 3.960 0.001 0.000 0.217 400 G HA3 -0.062 3.898 3.960 0.001 0.000 0.217 400 G C 1.793 176.687 174.900 -0.010 0.000 1.168 400 G CA 1.754 46.847 45.100 -0.010 0.000 0.771 400 G HN 0.866 nan 8.290 nan 0.000 0.551 401 A N 0.803 123.616 122.820 -0.011 0.000 1.883 401 A HA -0.054 4.266 4.320 0.001 0.000 0.217 401 A C 2.177 179.755 177.584 -0.010 0.000 1.186 401 A CA 2.019 54.050 52.037 -0.010 0.000 0.624 401 A CB -0.480 18.514 19.000 -0.010 0.000 0.822 401 A HN 0.463 nan 8.150 nan 0.000 0.444 402 E N -0.312 119.882 120.200 -0.010 0.000 2.153 402 E HA -0.167 4.184 4.350 0.001 0.000 0.194 402 E C 1.476 178.069 176.600 -0.011 0.000 0.988 402 E CA 1.177 57.571 56.400 -0.010 0.000 0.811 402 E CB -0.114 29.581 29.700 -0.010 0.000 0.746 402 E HN 0.733 nan 8.360 nan 0.000 0.466 403 E N 0.706 120.900 120.200 -0.010 0.000 2.494 403 E HA 0.018 4.369 4.350 0.001 0.000 0.193 403 E C 0.115 176.708 176.600 -0.011 0.000 1.074 403 E CA -0.244 56.150 56.400 -0.011 0.000 0.867 403 E CB 0.409 30.103 29.700 -0.009 0.000 0.924 403 E HN -0.083 nan 8.360 nan 0.000 0.502 404 S N 1.237 116.930 115.700 -0.012 0.000 2.498 404 S HA 0.010 4.481 4.470 0.001 0.000 0.281 404 S C 1.398 175.989 174.600 -0.015 0.000 1.265 404 S CA -0.555 57.638 58.200 -0.012 0.000 1.071 404 S CB 0.158 63.352 63.200 -0.011 0.000 0.894 404 S HN 0.128 nan 8.310 nan 0.000 0.491 405 I N 5.159 125.719 120.570 -0.016 0.000 2.454 405 I HA -0.131 4.040 4.170 0.001 0.000 0.254 405 I C 2.664 178.765 176.117 -0.026 0.000 1.156 405 I CA 1.483 62.770 61.300 -0.022 0.000 1.433 405 I CB -2.068 35.920 38.000 -0.021 0.000 1.082 405 I HN 0.870 nan 8.210 nan 0.000 0.432 406 S N 1.355 117.044 115.700 -0.019 0.000 2.420 406 S HA -0.176 4.295 4.470 0.001 0.000 0.237 406 S C 2.038 176.624 174.600 -0.022 0.000 1.023 406 S CA 0.897 59.086 58.200 -0.018 0.000 0.991 406 S CB -0.983 62.211 63.200 -0.010 0.000 0.792 406 S HN 0.491 nan 8.310 nan 0.000 0.488 407 L N 1.321 122.531 121.223 -0.022 0.000 2.129 407 L HA -0.170 4.171 4.340 0.001 0.000 0.212 407 L C 3.175 180.027 176.870 -0.031 0.000 1.087 407 L CA 1.215 56.041 54.840 -0.022 0.000 0.757 407 L CB -1.057 40.991 42.059 -0.019 0.000 0.896 407 L HN 0.507 nan 8.230 nan 0.000 0.434 408 A N -0.280 122.514 122.820 -0.043 0.000 1.986 408 A HA -0.242 4.079 4.320 0.001 0.000 0.220 408 A C 2.344 179.884 177.584 -0.072 0.000 1.171 408 A CA 2.407 54.406 52.037 -0.063 0.000 0.640 408 A CB -0.900 18.049 19.000 -0.084 0.000 0.811 408 A HN 0.436 nan 8.150 nan 0.000 0.451 409 T N 0.318 114.837 114.554 -0.058 0.000 2.759 409 T HA -0.058 4.293 4.350 0.001 0.000 0.269 409 T C 2.095 176.782 174.700 -0.022 0.000 1.042 409 T CA 1.458 63.532 62.100 -0.042 0.000 1.140 409 T CB -0.417 68.442 68.868 -0.015 0.000 0.864 409 T HN 0.647 nan 8.240 nan 0.000 0.455 410 A N 0.884 123.692 122.820 -0.019 0.000 2.125 410 A HA 0.085 4.406 4.320 0.001 0.000 0.219 410 A C 2.082 179.658 177.584 -0.012 0.000 1.156 410 A CA 0.925 52.955 52.037 -0.011 0.000 0.671 410 A CB -0.690 18.304 19.000 -0.010 0.000 0.794 410 A HN 0.527 nan 8.150 nan 0.000 0.459 411 L N -0.905 120.304 121.223 -0.023 0.000 2.509 411 L HA -0.017 4.323 4.340 0.001 0.000 0.222 411 L C 2.105 178.965 176.870 -0.017 0.000 1.123 411 L CA -0.051 54.776 54.840 -0.023 0.000 0.856 411 L CB -0.175 41.863 42.059 -0.034 0.000 0.985 411 L HN 0.183 nan 8.230 nan 0.000 0.456 412 V N 1.084 120.990 119.914 -0.014 0.000 2.252 412 V HA -0.204 3.917 4.120 0.001 0.000 0.249 412 V C -0.037 176.073 176.094 0.026 0.000 1.056 412 V CA 2.134 64.441 62.300 0.011 0.000 1.022 412 V CB -1.733 30.119 31.823 0.048 0.000 0.641 412 V HN 0.390 nan 8.190 nan 0.000 0.445 413 P HA -0.089 nan 4.420 nan 0.000 0.219 413 P C 1.552 178.860 177.300 0.013 0.000 1.146 413 P CA 2.261 65.372 63.100 0.019 0.000 0.808 413 P CB -0.098 31.610 31.700 0.014 0.000 0.779 414 V N 0.277 120.195 119.914 0.007 0.000 2.331 414 V HA -0.094 4.027 4.120 0.001 0.000 0.242 414 V C 2.352 178.449 176.094 0.004 0.000 1.034 414 V CA 2.680 64.982 62.300 0.003 0.000 1.027 414 V CB -1.135 30.687 31.823 -0.002 0.000 0.667 414 V HN 0.084 nan 8.190 nan 0.000 0.457 415 V N -2.357 117.559 119.914 0.002 0.000 3.528 415 V HA 0.720 4.841 4.120 0.001 0.000 0.294 415 V C 0.837 176.939 176.094 0.014 0.000 1.404 415 V CA 0.148 62.449 62.300 0.003 0.000 1.065 415 V CB -0.846 30.972 31.823 -0.008 0.000 0.904 415 V HN 2.115 nan 8.190 nan 0.000 0.435 416 G N 0.069 108.885 108.800 0.027 0.000 2.733 416 G HA2 -0.327 3.634 3.960 0.001 0.000 0.686 416 G HA3 -0.327 3.634 3.960 0.001 0.000 0.686 416 G C -0.200 174.745 174.900 0.075 0.000 1.373 416 G CA 0.240 45.376 45.100 0.059 0.000 0.838 416 G HN 0.691 nan 8.290 nan 0.000 0.588 417 Y N 1.397 121.696 120.300 -0.001 0.000 2.114 417 Y HA -0.040 4.511 4.550 0.001 0.000 0.282 417 Y C 3.009 178.908 175.900 -0.001 0.000 1.165 417 Y CA 3.579 61.678 58.100 -0.001 0.000 1.148 417 Y CB -0.459 38.000 38.460 -0.001 0.000 0.972 417 Y HN 1.092 nan 8.280 nan 0.000 0.504 418 A N 0.599 123.556 122.820 0.228 0.000 1.865 418 A HA -0.266 4.055 4.320 0.001 0.000 0.217 418 A C 2.362 179.946 177.584 -0.001 0.000 1.191 418 A CA 2.979 55.099 52.037 0.139 0.000 0.623 418 A CB -1.491 17.584 19.000 0.124 0.000 0.826 418 A HN 0.539 nan 8.150 nan 0.000 0.444 419 R N -0.836 119.660 120.500 -0.006 0.000 2.115 419 R HA 0.264 4.605 4.340 0.001 0.000 0.230 419 R C 2.508 178.770 176.300 -0.064 0.000 1.111 419 R CA 1.965 58.050 56.100 -0.026 0.000 0.976 419 R CB -1.703 28.591 30.300 -0.010 0.000 0.870 419 R HN 0.955 nan 8.270 nan 0.000 0.445 420 A N 0.929 123.686 122.820 -0.104 0.000 1.908 420 A HA 0.158 4.479 4.320 0.001 0.000 0.218 420 A C 2.795 180.266 177.584 -0.189 0.000 1.181 420 A CA 2.007 53.954 52.037 -0.150 0.000 0.627 420 A CB -0.792 18.092 19.000 -0.193 0.000 0.818 420 A HN 0.905 nan 8.150 nan 0.000 0.445 421 A N -0.932 121.735 122.820 -0.255 0.000 1.897 421 A HA 0.155 4.476 4.320 0.001 0.000 0.215 421 A C 2.154 179.678 177.584 -0.100 0.000 1.181 421 A CA 2.092 54.002 52.037 -0.212 0.000 0.620 421 A CB -1.043 17.817 19.000 -0.233 0.000 0.821 421 A HN 0.742 nan 8.150 nan 0.000 0.443 422 E N -0.387 119.771 120.200 -0.069 0.000 2.085 422 E HA -0.075 4.275 4.350 0.001 0.000 0.194 422 E C 2.149 178.725 176.600 -0.040 0.000 0.994 422 E CA 2.503 58.880 56.400 -0.039 0.000 0.801 422 E CB -1.626 28.060 29.700 -0.023 0.000 0.743 422 E HN 1.252 nan 8.360 nan 0.000 0.453 423 I N 0.915 121.456 120.570 -0.050 0.000 2.252 423 I HA 0.338 4.509 4.170 0.001 0.000 0.245 423 I C 3.028 179.118 176.117 -0.045 0.000 1.102 423 I CA 2.270 63.545 61.300 -0.043 0.000 1.385 423 I CB -1.553 36.421 38.000 -0.044 0.000 1.064 423 I HN 0.629 nan 8.210 nan 0.000 0.414 424 A N 0.714 123.498 122.820 -0.060 0.000 1.883 424 A HA -0.179 4.142 4.320 0.001 0.000 0.217 424 A C 2.636 180.198 177.584 -0.038 0.000 1.186 424 A CA 3.404 55.409 52.037 -0.054 0.000 0.624 424 A CB -1.143 17.813 19.000 -0.073 0.000 0.822 424 A HN 0.979 nan 8.150 nan 0.000 0.444 425 K N -0.484 119.894 120.400 -0.035 0.000 2.097 425 K HA -0.106 4.215 4.320 0.001 0.000 0.205 425 K C 2.088 178.677 176.600 -0.018 0.000 1.050 425 K CA 1.728 58.001 56.287 -0.023 0.000 0.938 425 K CB -0.744 31.745 32.500 -0.018 0.000 0.718 425 K HN 0.737 nan 8.250 nan 0.000 0.442 426 Q N -0.706 119.082 119.800 -0.020 0.000 2.046 426 Q HA -0.049 4.292 4.340 0.001 0.000 0.200 426 Q C 2.447 178.438 176.000 -0.015 0.000 0.975 426 Q CA 1.348 57.141 55.803 -0.016 0.000 0.836 426 Q CB -0.331 28.398 28.738 -0.016 0.000 0.896 426 Q HN 0.578 nan 8.270 nan 0.000 0.428 427 A N 1.166 123.974 122.820 -0.019 0.000 1.869 427 A HA -0.267 4.054 4.320 0.001 0.000 0.218 427 A C 2.026 179.602 177.584 -0.014 0.000 1.203 427 A CA 1.800 53.827 52.037 -0.017 0.000 0.638 427 A CB -1.203 17.784 19.000 -0.021 0.000 0.831 427 A HN 0.511 nan 8.150 nan 0.000 0.450 428 L N -0.455 120.759 121.223 -0.015 0.000 2.043 428 L HA -0.183 4.158 4.340 0.001 0.000 0.212 428 L C 2.656 179.520 176.870 -0.009 0.000 1.075 428 L CA 2.622 57.455 54.840 -0.011 0.000 0.752 428 L CB -0.735 41.317 42.059 -0.012 0.000 0.891 428 L HN 0.392 nan 8.230 nan 0.000 0.432 429 A N -1.495 121.319 122.820 -0.009 0.000 1.930 429 A HA -0.106 4.215 4.320 0.001 0.000 0.215 429 A C 2.352 179.933 177.584 -0.006 0.000 1.176 429 A CA 1.500 53.533 52.037 -0.007 0.000 0.632 429 A CB -0.791 18.205 19.000 -0.006 0.000 0.819 429 A HN 0.631 nan 8.150 nan 0.000 0.445 430 S N -2.275 113.420 115.700 -0.007 0.000 2.501 430 S HA 0.359 4.830 4.470 0.001 0.000 0.220 430 S C 1.595 176.191 174.600 -0.006 0.000 0.997 430 S CA 1.134 59.330 58.200 -0.007 0.000 0.919 430 S CB -0.122 63.074 63.200 -0.007 0.000 0.778 430 S HN 1.828 nan 8.310 nan 0.000 0.523 431 G N 0.712 109.508 108.800 -0.007 0.000 2.205 431 G HA2 -0.295 3.666 3.960 0.001 0.000 0.261 431 G HA3 -0.295 3.666 3.960 0.001 0.000 0.261 431 G C 0.010 174.905 174.900 -0.008 0.000 0.980 431 G CA 0.307 45.403 45.100 -0.007 0.000 0.632 431 G HN 0.604 nan 8.290 nan 0.000 0.533 432 Q N 1.089 120.884 119.800 -0.009 0.000 2.492 432 Q HA 0.469 4.810 4.340 0.001 0.000 0.238 432 Q C 1.243 177.237 176.000 -0.011 0.000 1.045 432 Q CA 0.649 56.447 55.803 -0.009 0.000 0.934 432 Q CB 0.430 29.162 28.738 -0.009 0.000 1.276 432 Q HN 0.571 nan 8.270 nan 0.000 0.521 433 T N -2.720 111.827 114.554 -0.011 0.000 2.849 433 T HA 0.143 4.494 4.350 0.001 0.000 0.284 433 T C 1.154 175.845 174.700 -0.015 0.000 1.004 433 T CA -0.853 61.239 62.100 -0.013 0.000 1.021 433 T CB 0.690 69.551 68.868 -0.011 0.000 1.013 433 T HN 0.323 nan 8.240 nan 0.000 0.527 434 V N 1.599 121.502 119.914 -0.018 0.000 2.515 434 V HA -0.136 3.985 4.120 0.001 0.000 0.250 434 V C 2.610 178.693 176.094 -0.019 0.000 1.058 434 V CA 2.048 64.335 62.300 -0.021 0.000 1.064 434 V CB -0.993 30.814 31.823 -0.026 0.000 0.675 434 V HN 0.947 nan 8.190 nan 0.000 0.461 435 M N -0.216 119.374 119.600 -0.016 0.000 2.132 435 M HA -0.193 4.288 4.480 0.001 0.000 0.263 435 M C 2.217 178.510 176.300 -0.012 0.000 1.065 435 M CA 1.888 57.180 55.300 -0.013 0.000 1.122 435 M CB -0.105 32.488 32.600 -0.011 0.000 1.365 435 M HN 0.347 nan 8.290 nan 0.000 0.411 436 E N -0.625 119.568 120.200 -0.011 0.000 2.051 436 E HA -0.200 4.151 4.350 0.001 0.000 0.192 436 E C 1.902 178.495 176.600 -0.011 0.000 0.991 436 E CA 1.768 58.162 56.400 -0.010 0.000 0.799 436 E CB -0.167 29.527 29.700 -0.009 0.000 0.748 436 E HN 0.378 nan 8.360 nan 0.000 0.449 437 V N 1.396 121.302 119.914 -0.013 0.000 2.295 437 V HA -0.309 3.812 4.120 0.001 0.000 0.246 437 V C 2.328 178.414 176.094 -0.014 0.000 1.049 437 V CA 1.860 64.151 62.300 -0.014 0.000 1.024 437 V CB -0.895 30.918 31.823 -0.017 0.000 0.648 437 V HN 0.344 nan 8.190 nan 0.000 0.447 438 A N 0.225 123.035 122.820 -0.016 0.000 1.859 438 A HA -0.265 4.056 4.320 0.001 0.000 0.217 438 A C 2.115 179.693 177.584 -0.011 0.000 1.198 438 A CA 2.465 54.493 52.037 -0.015 0.000 0.629 438 A CB -0.765 18.225 19.000 -0.016 0.000 0.830 438 A HN 0.406 nan 8.150 nan 0.000 0.446 439 I N 0.945 121.509 120.570 -0.010 0.000 2.194 439 I HA -0.264 3.907 4.170 0.001 0.000 0.246 439 I C 2.906 179.019 176.117 -0.007 0.000 1.093 439 I CA 2.107 63.402 61.300 -0.008 0.000 1.355 439 I CB -0.601 37.395 38.000 -0.007 0.000 1.046 439 I HN 0.537 nan 8.210 nan 0.000 0.413 440 S N 0.138 115.834 115.700 -0.008 0.000 2.419 440 S HA -0.200 4.270 4.470 0.001 0.000 0.235 440 S C 1.721 176.317 174.600 -0.007 0.000 1.019 440 S CA 1.081 59.277 58.200 -0.007 0.000 0.982 440 S CB -0.510 62.685 63.200 -0.007 0.000 0.789 440 S HN 0.512 nan 8.310 nan 0.000 0.490 441 K N 0.586 120.981 120.400 -0.008 0.000 2.410 441 K HA 0.315 4.636 4.320 0.001 0.000 0.200 441 K C 1.020 177.617 176.600 -0.006 0.000 1.023 441 K CA 0.290 56.573 56.287 -0.007 0.000 1.149 441 K CB 0.039 32.533 32.500 -0.009 0.000 0.859 441 K HN 0.505 nan 8.250 nan 0.000 0.514 442 G N 1.956 110.752 108.800 -0.006 0.000 2.160 442 G HA2 -0.267 3.694 3.960 0.001 0.000 0.251 442 G HA3 -0.267 3.694 3.960 0.001 0.000 0.251 442 G C -0.028 174.869 174.900 -0.005 0.000 1.008 442 G CA 0.054 45.151 45.100 -0.005 0.000 0.724 442 G HN 0.190 nan 8.290 nan 0.000 0.514 443 L N -0.079 121.140 121.223 -0.007 0.000 2.343 443 L HA 0.649 4.990 4.340 0.001 0.000 0.275 443 L C 0.969 177.835 176.870 -0.007 0.000 1.056 443 L CA -0.385 54.451 54.840 -0.007 0.000 0.804 443 L CB 0.660 42.714 42.059 -0.009 0.000 1.203 443 L HN 0.283 nan 8.230 nan 0.000 0.440 444 D N 1.085 121.482 120.400 -0.006 0.000 2.425 444 D HA 0.413 5.054 4.640 0.001 0.000 0.247 444 D C 0.881 177.177 176.300 -0.007 0.000 1.147 444 D CA 0.283 54.279 54.000 -0.005 0.000 0.879 444 D CB 1.482 42.279 40.800 -0.004 0.000 1.179 444 D HN 0.818 nan 8.370 nan 0.000 0.456 445 A N 1.118 123.935 122.820 -0.006 0.000 2.067 445 A HA 0.133 4.454 4.320 0.001 0.000 0.217 445 A C 2.472 180.053 177.584 -0.006 0.000 1.156 445 A CA 1.641 53.673 52.037 -0.007 0.000 0.683 445 A CB -0.406 18.590 19.000 -0.007 0.000 0.808 445 A HN 0.635 nan 8.150 nan 0.000 0.455 446 S N 0.855 116.552 115.700 -0.005 0.000 2.390 446 S HA -0.332 4.139 4.470 0.001 0.000 0.234 446 S C 2.224 176.822 174.600 -0.004 0.000 1.063 446 S CA 1.837 60.035 58.200 -0.004 0.000 1.108 446 S CB -0.745 62.453 63.200 -0.003 0.000 0.975 446 S HN 0.912 nan 8.310 nan 0.000 0.442 447 A N 1.125 123.942 122.820 -0.005 0.000 1.933 447 A HA 0.026 4.347 4.320 0.001 0.000 0.218 447 A C 2.216 179.797 177.584 -0.006 0.000 1.175 447 A CA 1.281 53.315 52.037 -0.004 0.000 0.628 447 A CB -0.706 18.291 19.000 -0.005 0.000 0.814 447 A HN 0.446 nan 8.150 nan 0.000 0.444 448 L N -0.134 121.084 121.223 -0.008 0.000 1.994 448 L HA -0.172 4.169 4.340 0.001 0.000 0.208 448 L C 2.896 179.762 176.870 -0.007 0.000 1.071 448 L CA 1.907 56.742 54.840 -0.009 0.000 0.745 448 L CB -0.930 41.122 42.059 -0.011 0.000 0.892 448 L HN 0.594 nan 8.230 nan 0.000 0.431 449 T N -2.291 112.260 114.554 -0.006 0.000 3.051 449 T HA -0.068 4.283 4.350 0.001 0.000 0.269 449 T C 1.663 176.361 174.700 -0.004 0.000 1.127 449 T CA 0.753 62.850 62.100 -0.005 0.000 1.107 449 T CB -0.491 68.374 68.868 -0.004 0.000 0.898 449 T HN 0.230 nan 8.240 nan 0.000 0.517 450 I N 0.952 121.520 120.570 -0.003 0.000 2.353 450 I HA -0.054 4.117 4.170 0.001 0.000 0.248 450 I C 3.275 179.390 176.117 -0.002 0.000 1.119 450 I CA 1.538 62.837 61.300 -0.002 0.000 1.417 450 I CB -0.505 37.495 38.000 -0.002 0.000 1.078 450 I HN 0.345 nan 8.210 nan 0.000 0.421 451 M N -0.242 119.356 119.600 -0.004 0.000 2.619 451 M HA 0.168 4.649 4.480 0.001 0.000 0.251 451 M C 1.658 177.956 176.300 -0.004 0.000 1.106 451 M CA 1.491 56.789 55.300 -0.004 0.000 1.086 451 M CB -1.263 31.334 32.600 -0.005 0.000 1.465 451 M HN 0.284 nan 8.290 nan 0.000 0.506 452 L N -0.347 120.874 121.223 -0.004 0.000 2.667 452 L HA 0.218 4.559 4.340 0.001 0.000 0.232 452 L C 0.337 177.206 176.870 -0.002 0.000 1.138 452 L CA -0.284 54.553 54.840 -0.004 0.000 0.921 452 L CB 0.339 42.395 42.059 -0.005 0.000 1.180 452 L HN 0.417 nan 8.230 nan 0.000 0.487 453 D N 0.911 121.310 120.400 -0.001 0.000 2.313 453 D HA 0.146 4.787 4.640 0.001 0.000 0.239 453 D C -1.626 174.676 176.300 0.002 0.000 1.142 453 D CA -1.757 52.244 54.000 0.001 0.000 0.847 453 D CB 2.073 42.873 40.800 0.001 0.000 1.082 453 D HN -0.114 nan 8.370 nan 0.000 0.480 454 P HA -0.121 nan 4.420 nan 0.000 0.217 454 P C 0.562 177.866 177.300 0.007 0.000 1.148 454 P CA 0.856 63.961 63.100 0.008 0.000 0.828 454 P CB -0.063 31.645 31.700 0.012 0.000 0.783 455 L N 0.797 122.023 121.223 0.005 0.000 2.369 455 L HA 0.363 4.704 4.340 0.001 0.000 0.279 455 L C 0.864 177.735 176.870 0.002 0.000 1.108 455 L CA -0.031 54.811 54.840 0.004 0.000 0.852 455 L CB -1.125 40.937 42.059 0.004 0.000 1.169 455 L HN 0.002 nan 8.230 nan 0.000 0.452 456 R N 0.000 120.501 120.500 0.002 0.000 2.786 456 R HA 0.000 4.341 4.340 0.001 0.000 0.208 456 R CA 0.000 56.100 56.100 0.001 0.000 0.921 456 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 456 R HN 0.000 nan 8.270 nan 0.000 0.535