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 2ovl_1_B DATA FIRST_RESID 3 DATA SEQUENCE LIERVRTDLY RIPLPTRLTD STHGAXXDFE LITVRIEDSD GATGLGYTYT DATA SEQUENCE VNHGGAAVAT XVDKDLRGCL LGADAEQIEK IWQSXWWRLH YAGRGGHATS DATA SEQUENCE AISAVDIALW DLKGIRARTP LWKLFGGYDP VVPVYAGGID LELPVADLKT DATA SEQUENCE QADRFLAGGF RAIKXKVGRP DLKEDVDRVS ALREHLGDSF PLXVDANXKW DATA SEQUENCE TVDGAIRAAR ALAPFDLHWI EEPTIPDDLV GNARIVRESG HTIAGGENLH DATA SEQUENCE TLYDFHNAVR AGSLTLPEPD VSNIGGYTTF RKVAALAEAN NXLLTSHGVH DATA SEQUENCE DLTVHALASV PHRTYXEAHX XXLHAYXAEP XAVTDGCVSA PDRPGHGVVL DATA SEQUENCE DFERLGRLAV 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.868 176.870 -0.004 0.000 1.165 3 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 3 L CB 0.000 42.057 42.059 -0.002 0.000 0.961 4 I N 1.962 122.532 120.570 -0.001 0.000 2.416 4 I HA 0.126 4.296 4.170 -0.001 0.000 0.288 4 I C 0.828 176.947 176.117 0.003 0.000 1.051 4 I CA 0.304 61.606 61.300 0.002 0.000 1.375 4 I CB 1.116 39.120 38.000 0.007 0.000 1.407 4 I HN 0.735 nan 8.210 nan 0.000 0.516 5 E N 5.559 125.760 120.200 0.002 0.000 2.465 5 E HA 0.232 4.581 4.350 -0.001 0.000 0.209 5 E C -0.034 176.568 176.600 0.002 0.000 0.951 5 E CA 0.080 56.481 56.400 0.001 0.000 0.997 5 E CB 0.803 30.503 29.700 -0.001 0.000 1.025 5 E HN 0.524 nan 8.360 nan 0.000 0.500 6 R N 0.704 121.205 120.500 0.002 0.000 2.604 6 R HA 0.505 4.844 4.340 -0.001 0.000 0.281 6 R C -1.417 174.887 176.300 0.007 0.000 1.020 6 R CA -0.546 55.555 56.100 0.002 0.000 0.899 6 R CB 2.872 33.169 30.300 -0.004 0.000 1.205 6 R HN -0.178 nan 8.270 nan 0.000 0.450 7 V N 3.355 123.275 119.914 0.009 0.000 2.462 7 V HA 0.393 4.512 4.120 -0.001 0.000 0.288 7 V C -0.428 175.675 176.094 0.015 0.000 1.020 7 V CA -0.724 61.587 62.300 0.018 0.000 0.857 7 V CB 1.690 33.528 31.823 0.024 0.000 1.013 7 V HN 0.598 nan 8.190 nan 0.000 0.431 8 R N 2.514 123.021 120.500 0.013 0.000 2.265 8 R HA 0.654 4.994 4.340 -0.001 0.000 0.328 8 R C -0.542 175.779 176.300 0.036 0.000 0.969 8 R CA -0.365 55.739 56.100 0.007 0.000 0.832 8 R CB 1.833 32.116 30.300 -0.029 0.000 1.139 8 R HN 0.620 nan 8.270 nan 0.000 0.457 9 T N 2.491 117.067 114.554 0.037 0.000 2.797 9 T HA 0.333 4.682 4.350 -0.001 0.000 0.279 9 T C -0.646 174.074 174.700 0.033 0.000 0.991 9 T CA -0.719 61.416 62.100 0.058 0.000 0.979 9 T CB 1.376 70.271 68.868 0.045 0.000 0.943 9 T HN 0.399 nan 8.240 nan 0.000 0.444 10 D N 1.970 122.404 120.400 0.057 0.000 2.671 10 D HA 0.444 5.083 4.640 -0.001 0.000 0.232 10 D C -1.216 174.968 176.300 -0.194 0.000 1.114 10 D CA -0.590 53.354 54.000 -0.093 0.000 0.858 10 D CB 2.993 43.777 40.800 -0.028 0.000 1.544 10 D HN 0.266 nan 8.370 nan 0.000 0.471 11 L N 2.301 123.278 121.223 -0.411 0.000 2.325 11 L HA 0.443 4.782 4.340 -0.001 0.000 0.281 11 L C -1.874 174.683 176.870 -0.521 0.000 1.004 11 L CA -0.402 54.263 54.840 -0.292 0.000 0.823 11 L CB 0.894 42.876 42.059 -0.130 0.000 1.236 11 L HN 0.267 nan 8.230 nan 0.000 0.415 12 Y N 3.755 124.060 120.300 0.008 0.000 2.446 12 Y HA 0.618 5.167 4.550 -0.001 0.000 0.345 12 Y C 0.182 176.041 175.900 -0.067 0.000 0.984 12 Y CA -0.923 57.144 58.100 -0.054 0.000 1.058 12 Y CB 1.740 40.122 38.460 -0.130 0.000 1.220 12 Y HN 0.313 nan 8.280 nan 0.000 0.455 13 R N 3.484 124.008 120.500 0.040 0.000 2.369 13 R HA 0.397 4.736 4.340 -0.001 0.000 0.310 13 R C -1.118 175.099 176.300 -0.138 0.000 1.141 13 R CA -0.288 55.783 56.100 -0.047 0.000 1.116 13 R CB 0.153 30.425 30.300 -0.046 0.000 1.135 13 R HN 0.724 nan 8.270 nan 0.000 0.529 14 I N 6.211 126.604 120.570 -0.294 0.000 2.322 14 I HA 0.145 4.314 4.170 -0.001 0.000 0.292 14 I C -1.675 174.159 176.117 -0.472 0.000 1.060 14 I CA -1.845 59.179 61.300 -0.460 0.000 1.309 14 I CB 1.184 38.703 38.000 -0.801 0.000 1.415 14 I HN 0.121 nan 8.210 nan 0.000 0.492 15 P HA 0.133 nan 4.420 nan 0.000 0.268 15 P C -1.003 176.201 177.300 -0.160 0.000 1.205 15 P CA -0.248 62.755 63.100 -0.160 0.000 0.771 15 P CB 1.254 32.909 31.700 -0.075 0.000 0.858 16 L N 5.641 126.797 121.223 -0.112 0.000 2.346 16 L HA 0.545 4.885 4.340 -0.001 0.000 0.274 16 L C -1.849 175.012 176.870 -0.015 0.000 1.007 16 L CA -1.916 52.896 54.840 -0.047 0.000 0.818 16 L CB 0.367 42.423 42.059 -0.004 0.000 1.284 16 L HN 0.316 nan 8.230 nan 0.000 0.424 17 P HA 0.177 nan 4.420 nan 0.000 0.271 17 P C -0.185 177.118 177.300 0.005 0.000 1.233 17 P CA -0.359 62.742 63.100 0.002 0.000 0.789 17 P CB 0.416 32.120 31.700 0.007 0.000 0.951 18 T N 0.627 115.182 114.554 0.002 0.000 2.754 18 T HA 0.165 4.515 4.350 -0.001 0.000 0.286 18 T C 0.808 175.510 174.700 0.004 0.000 0.997 18 T CA -0.059 62.044 62.100 0.004 0.000 0.982 18 T CB -0.055 68.814 68.868 0.001 0.000 1.027 18 T HN 0.495 nan 8.240 nan 0.000 0.529 19 R N -0.632 119.872 120.500 0.006 0.000 3.892 19 R HA -0.118 4.221 4.340 -0.001 0.000 0.441 19 R C -0.485 175.820 176.300 0.009 0.000 1.052 19 R CA 0.503 56.605 56.100 0.003 0.000 1.190 19 R CB -1.976 28.320 30.300 -0.007 0.000 1.808 19 R HN 0.540 nan 8.270 nan 0.000 0.538 20 L N 2.351 123.585 121.223 0.018 0.000 2.288 20 L HA 0.281 4.620 4.340 -0.001 0.000 0.283 20 L C 0.612 177.504 176.870 0.036 0.000 1.072 20 L CA -0.067 54.788 54.840 0.025 0.000 0.862 20 L CB 1.149 43.227 42.059 0.031 0.000 1.245 20 L HN 0.103 nan 8.230 nan 0.000 0.432 21 T N -1.559 113.016 114.554 0.035 0.000 2.903 21 T HA 0.712 5.062 4.350 -0.001 0.000 0.299 21 T C -0.961 173.766 174.700 0.045 0.000 1.093 21 T CA -0.919 61.207 62.100 0.044 0.000 1.002 21 T CB 2.814 71.701 68.868 0.032 0.000 1.127 21 T HN 0.417 nan 8.240 nan 0.000 0.488 22 D N -0.258 120.178 120.400 0.060 0.000 2.614 22 D HA 0.448 5.088 4.640 -0.001 0.000 0.264 22 D C 1.442 177.747 176.300 0.008 0.000 1.092 22 D CA -0.199 53.828 54.000 0.045 0.000 1.071 22 D CB 0.919 41.778 40.800 0.098 0.000 1.443 22 D HN 0.545 nan 8.370 nan 0.000 0.528 23 S N -1.021 114.652 115.700 -0.045 0.000 2.382 23 S HA -0.178 4.291 4.470 -0.001 0.000 0.228 23 S C 1.564 176.107 174.600 -0.095 0.000 1.027 23 S CA 2.078 60.227 58.200 -0.084 0.000 0.991 23 S CB -1.138 61.966 63.200 -0.161 0.000 0.823 23 S HN 0.768 nan 8.310 nan 0.000 0.469 24 T N -2.592 111.873 114.554 -0.148 0.000 2.978 24 T HA 0.259 4.608 4.350 -0.001 0.000 0.248 24 T C 1.543 176.104 174.700 -0.231 0.000 1.018 24 T CA 0.068 62.036 62.100 -0.219 0.000 1.026 24 T CB -0.479 68.190 68.868 -0.332 0.000 1.032 24 T HN 0.460 nan 8.240 nan 0.000 0.485 25 H N 1.853 120.928 119.070 0.009 0.000 2.512 25 H HA 0.357 4.912 4.556 -0.001 0.000 0.279 25 H C 1.912 177.264 175.328 0.041 0.000 0.999 25 H CA 0.839 56.908 56.048 0.034 0.000 1.283 25 H CB -0.285 29.505 29.762 0.046 0.000 1.421 25 H HN 0.673 nan 8.280 nan 0.000 0.554 26 G N 0.562 109.429 108.800 0.112 0.000 2.553 26 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.242 26 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.242 26 G C 0.219 175.173 174.900 0.089 0.000 1.277 26 G CA 0.158 45.306 45.100 0.079 0.000 0.910 26 G HN 0.657 nan 8.290 nan 0.000 0.576 31 F N -1.231 118.753 119.950 0.057 0.000 2.495 31 F HA 0.678 5.205 4.527 -0.001 0.000 0.327 31 F C -0.268 175.595 175.800 0.105 0.000 1.103 31 F CA -1.080 56.987 58.000 0.111 0.000 0.949 31 F CB 1.555 40.685 39.000 0.217 0.000 1.142 31 F HN 0.208 nan 8.300 nan 0.000 0.457 32 E N 4.087 124.485 120.200 0.330 0.000 2.052 32 E HA 0.281 4.630 4.350 -0.001 0.000 0.283 32 E C -1.058 175.746 176.600 0.341 0.000 1.071 32 E CA -0.717 55.822 56.400 0.233 0.000 0.851 32 E CB 1.554 31.331 29.700 0.129 0.000 1.066 32 E HN 0.635 nan 8.360 nan 0.000 0.396 33 L N 4.742 126.181 121.223 0.359 0.000 2.281 33 L HA 0.288 4.627 4.340 -0.001 0.000 0.285 33 L C -1.083 175.971 176.870 0.307 0.000 1.074 33 L CA -0.161 54.901 54.840 0.369 0.000 0.817 33 L CB 0.415 42.665 42.059 0.318 0.000 1.168 33 L HN 0.392 nan 8.230 nan 0.000 0.434 34 I N 4.576 125.322 120.570 0.293 0.000 2.355 34 I HA 0.383 4.552 4.170 -0.001 0.000 0.288 34 I C 0.229 176.536 176.117 0.316 0.000 0.999 34 I CA -0.085 61.361 61.300 0.244 0.000 1.163 34 I CB 1.607 39.716 38.000 0.182 0.000 1.316 34 I HN 0.700 nan 8.210 nan 0.000 0.454 35 T N 3.406 118.170 114.554 0.349 0.000 2.895 35 T HA 0.837 5.186 4.350 -0.001 0.000 0.283 35 T C -0.430 174.460 174.700 0.315 0.000 1.014 35 T CA -0.760 61.591 62.100 0.418 0.000 1.037 35 T CB 1.661 70.887 68.868 0.597 0.000 1.006 35 T HN 0.179 nan 8.240 nan 0.000 0.468 36 V N 3.020 123.113 119.914 0.299 0.000 2.525 36 V HA 0.555 4.674 4.120 -0.001 0.000 0.299 36 V C -0.212 175.995 176.094 0.188 0.000 1.034 36 V CA -0.949 61.471 62.300 0.200 0.000 0.863 36 V CB 1.696 33.620 31.823 0.167 0.000 0.999 36 V HN 0.885 nan 8.190 nan 0.000 0.423 37 R N 4.902 125.468 120.500 0.110 0.000 2.409 37 R HA 0.700 5.040 4.340 -0.001 0.000 0.313 37 R C -1.197 175.129 176.300 0.044 0.000 0.953 37 R CA -0.478 55.662 56.100 0.066 0.000 0.849 37 R CB 2.054 32.331 30.300 -0.038 0.000 1.171 37 R HN 0.617 nan 8.270 nan 0.000 0.458 38 I N 1.742 122.344 120.570 0.053 0.000 2.404 38 I HA 0.294 4.463 4.170 -0.001 0.000 0.293 38 I C -0.063 176.065 176.117 0.019 0.000 0.992 38 I CA -0.553 60.769 61.300 0.036 0.000 1.149 38 I CB 1.929 39.956 38.000 0.046 0.000 1.315 38 I HN 0.507 nan 8.210 nan 0.000 0.446 39 E N 5.384 125.589 120.200 0.008 0.000 2.187 39 E HA 0.276 4.626 4.350 -0.001 0.000 0.268 39 E C -1.443 175.157 176.600 -0.001 0.000 0.896 39 E CA -0.727 55.674 56.400 0.000 0.000 0.766 39 E CB 1.707 31.404 29.700 -0.005 0.000 1.142 39 E HN 0.674 nan 8.360 nan 0.000 0.408 40 D N 1.468 121.866 120.400 -0.005 0.000 2.437 40 D HA 0.063 4.702 4.640 -0.001 0.000 0.259 40 D C 0.845 177.141 176.300 -0.007 0.000 1.118 40 D CA -0.433 53.563 54.000 -0.007 0.000 1.017 40 D CB 0.991 41.785 40.800 -0.012 0.000 1.120 40 D HN 0.289 nan 8.370 nan 0.000 0.541 41 S N -1.176 114.520 115.700 -0.007 0.000 2.528 41 S HA -0.160 4.310 4.470 -0.001 0.000 0.244 41 S C 0.508 175.104 174.600 -0.007 0.000 0.982 41 S CA 0.679 58.876 58.200 -0.006 0.000 0.953 41 S CB -0.393 62.803 63.200 -0.006 0.000 0.754 41 S HN 0.507 nan 8.310 nan 0.000 0.529 42 D N 0.671 121.065 120.400 -0.009 0.000 2.369 42 D HA 0.273 4.912 4.640 -0.001 0.000 0.211 42 D C 1.435 177.730 176.300 -0.009 0.000 1.077 42 D CA 0.650 54.644 54.000 -0.010 0.000 0.842 42 D CB 0.369 41.162 40.800 -0.012 0.000 0.947 42 D HN 0.567 nan 8.370 nan 0.000 0.509 43 G N 1.032 109.827 108.800 -0.008 0.000 2.176 43 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.253 43 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.253 43 G C 0.564 175.459 174.900 -0.008 0.000 0.979 43 G CA 0.145 45.240 45.100 -0.008 0.000 0.641 43 G HN 0.585 nan 8.290 nan 0.000 0.530 44 A N 0.045 122.859 122.820 -0.010 0.000 2.354 44 A HA 0.737 5.056 4.320 -0.001 0.000 0.269 44 A C 0.455 178.034 177.584 -0.008 0.000 1.109 44 A CA 1.043 53.073 52.037 -0.011 0.000 0.800 44 A CB 0.679 19.668 19.000 -0.018 0.000 1.045 44 A HN 0.727 nan 8.150 nan 0.000 0.489 45 T N 1.315 115.866 114.554 -0.004 0.000 2.841 45 T HA 0.638 4.987 4.350 -0.001 0.000 0.283 45 T C 0.225 174.934 174.700 0.016 0.000 1.000 45 T CA 0.050 62.154 62.100 0.006 0.000 0.977 45 T CB 1.779 70.649 68.868 0.004 0.000 0.979 45 T HN 1.021 nan 8.240 nan 0.000 0.446 46 G N 1.670 110.491 108.800 0.035 0.000 2.416 46 G HA2 0.624 4.583 3.960 -0.001 0.000 0.329 46 G HA3 0.624 4.583 3.960 -0.001 0.000 0.329 46 G C -1.335 173.645 174.900 0.134 0.000 1.173 46 G CA -0.523 44.610 45.100 0.055 0.000 0.929 46 G HN 0.616 nan 8.290 nan 0.000 0.475 47 L N 2.162 123.515 121.223 0.218 0.000 2.307 47 L HA 0.886 5.226 4.340 -0.001 0.000 0.284 47 L C 0.264 177.414 176.870 0.467 0.000 1.023 47 L CA -0.399 54.665 54.840 0.374 0.000 0.810 47 L CB 1.605 43.959 42.059 0.491 0.000 1.231 47 L HN 0.671 nan 8.230 nan 0.000 0.423 48 G N 3.680 112.704 108.800 0.374 0.000 2.659 48 G HA2 0.652 4.611 3.960 -0.001 0.000 0.296 48 G HA3 0.652 4.611 3.960 -0.001 0.000 0.296 48 G C -2.081 173.009 174.900 0.317 0.000 1.369 48 G CA -0.359 44.896 45.100 0.258 0.000 0.937 48 G HN 0.831 nan 8.290 nan 0.000 0.485 49 Y N -1.868 118.524 120.300 0.153 0.000 2.656 49 Y HA 0.857 5.406 4.550 -0.001 0.000 0.334 49 Y C -0.548 175.439 175.900 0.145 0.000 1.179 49 Y CA -1.129 57.062 58.100 0.152 0.000 1.050 49 Y CB 1.539 40.086 38.460 0.145 0.000 1.308 49 Y HN 0.806 nan 8.280 nan 0.000 0.456 50 T N 0.558 115.359 114.554 0.412 0.000 2.762 50 T HA 0.723 5.072 4.350 -0.001 0.000 0.301 50 T C -2.125 172.858 174.700 0.472 0.000 1.299 50 T CA -0.578 61.748 62.100 0.377 0.000 1.005 50 T CB 1.358 70.331 68.868 0.173 0.000 1.377 50 T HN 1.126 nan 8.240 nan 0.000 0.504 51 Y N -0.996 119.383 120.300 0.132 0.000 2.625 51 Y HA 0.791 5.341 4.550 -0.001 0.000 0.338 51 Y C -0.477 175.488 175.900 0.108 0.000 1.123 51 Y CA -1.021 57.159 58.100 0.134 0.000 1.046 51 Y CB 1.306 39.801 38.460 0.059 0.000 1.299 51 Y HN 0.782 nan 8.280 nan 0.000 0.464 52 T N -1.128 113.442 114.554 0.026 0.000 2.887 52 T HA 0.728 5.077 4.350 -0.001 0.000 0.292 52 T C -1.545 173.223 174.700 0.114 0.000 1.087 52 T CA -0.937 61.132 62.100 -0.052 0.000 1.009 52 T CB 1.635 70.538 68.868 0.059 0.000 1.203 52 T HN 0.668 nan 8.240 nan 0.000 0.518 53 V N 3.375 123.328 119.914 0.064 0.000 2.370 53 V HA 0.383 4.502 4.120 -0.001 0.000 0.283 53 V C 0.596 176.735 176.094 0.074 0.000 1.023 53 V CA -0.355 62.014 62.300 0.116 0.000 0.857 53 V CB 0.372 32.216 31.823 0.036 0.000 0.985 53 V HN 1.065 nan 8.190 nan 0.000 0.443 54 N N 2.596 121.304 118.700 0.012 0.000 1.861 54 N HA -0.229 4.511 4.740 -0.001 0.000 0.216 54 N C 0.200 175.412 175.510 -0.497 0.000 0.784 54 N CA 2.423 55.344 53.050 -0.215 0.000 4.053 54 N CB -0.711 37.697 38.487 -0.133 0.000 0.716 54 N HN 0.886 nan 8.380 nan 0.000 0.274 55 H N -2.042 117.077 119.070 0.081 0.000 2.949 55 H HA 0.587 5.143 4.556 -0.001 0.000 0.356 55 H C 1.279 176.658 175.328 0.085 0.000 1.212 55 H CA 0.084 56.172 56.048 0.066 0.000 1.136 55 H CB 1.618 31.411 29.762 0.051 0.000 1.869 55 H HN 0.385 nan 8.280 nan 0.000 0.556 56 G N -0.491 108.414 108.800 0.175 0.000 2.217 56 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.246 56 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.246 56 G C 1.416 176.367 174.900 0.086 0.000 0.990 56 G CA 0.622 45.765 45.100 0.072 0.000 0.627 56 G HN 1.018 nan 8.290 nan 0.000 0.522 57 G N 0.971 109.827 108.800 0.094 0.000 2.459 57 G HA2 0.160 4.119 3.960 -0.001 0.000 0.217 57 G HA3 0.160 4.119 3.960 -0.001 0.000 0.217 57 G C 2.049 176.980 174.900 0.052 0.000 1.183 57 G CA 2.892 48.043 45.100 0.086 0.000 0.776 57 G HN 1.635 nan 8.290 nan 0.000 0.552 58 A N 1.091 123.927 122.820 0.026 0.000 1.940 58 A HA 0.216 4.535 4.320 -0.001 0.000 0.219 58 A C 2.809 180.392 177.584 -0.003 0.000 1.176 58 A CA 2.361 54.401 52.037 0.005 0.000 0.631 58 A CB -0.751 18.248 19.000 -0.001 0.000 0.814 58 A HN 0.838 nan 8.150 nan 0.000 0.446 59 A N -0.584 122.224 122.820 -0.019 0.000 1.902 59 A HA 0.011 4.331 4.320 -0.001 0.000 0.217 59 A C 2.234 179.813 177.584 -0.009 0.000 1.181 59 A CA 1.757 53.766 52.037 -0.047 0.000 0.623 59 A CB -0.931 17.985 19.000 -0.141 0.000 0.818 59 A HN 0.389 nan 8.150 nan 0.000 0.443 60 V N -0.065 119.869 119.914 0.033 0.000 2.295 60 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 60 V C 3.069 179.191 176.094 0.047 0.000 1.049 60 V CA 2.026 64.364 62.300 0.063 0.000 1.024 60 V CB -1.295 30.588 31.823 0.099 0.000 0.648 60 V HN 0.614 nan 8.190 nan 0.000 0.447 61 A N -0.819 122.027 122.820 0.043 0.000 1.933 61 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 61 A C 1.688 179.283 177.584 0.019 0.000 1.175 61 A CA 1.829 53.887 52.037 0.035 0.000 0.628 61 A CB -0.733 18.278 19.000 0.019 0.000 0.814 61 A HN 0.531 nan 8.150 nan 0.000 0.444 65 D N 0.712 121.124 120.400 0.021 0.000 2.117 65 D HA -0.129 4.510 4.640 -0.001 0.000 0.198 65 D C 1.951 178.258 176.300 0.011 0.000 0.982 65 D CA 1.552 55.562 54.000 0.015 0.000 0.828 65 D CB 0.275 41.081 40.800 0.010 0.000 0.967 65 D HN 0.302 nan 8.370 nan 0.000 0.464 66 K N 0.016 120.421 120.400 0.008 0.000 2.168 66 K HA 0.060 4.379 4.320 -0.001 0.000 0.201 66 K C 1.387 177.992 176.600 0.009 0.000 1.049 66 K CA 0.716 57.007 56.287 0.007 0.000 0.974 66 K CB 0.026 32.528 32.500 0.003 0.000 0.792 66 K HN 0.273 nan 8.250 nan 0.000 0.463 67 D N 0.749 121.154 120.400 0.008 0.000 2.259 67 D HA 0.055 4.694 4.640 -0.001 0.000 0.216 67 D C 2.078 178.385 176.300 0.012 0.000 0.961 67 D CA 0.543 54.548 54.000 0.010 0.000 0.878 67 D CB 0.279 41.082 40.800 0.004 0.000 1.009 67 D HN 0.033 nan 8.370 nan 0.000 0.490 68 L N 0.790 122.019 121.223 0.010 0.000 2.270 68 L HA 0.099 4.439 4.340 -0.001 0.000 0.210 68 L C 2.605 179.486 176.870 0.019 0.000 1.104 68 L CA 0.180 55.026 54.840 0.012 0.000 0.804 68 L CB -0.270 41.792 42.059 0.005 0.000 0.937 68 L HN -0.087 nan 8.230 nan 0.000 0.450 69 R N 1.219 121.730 120.500 0.019 0.000 2.140 69 R HA -0.204 4.135 4.340 -0.001 0.000 0.250 69 R C 2.098 178.410 176.300 0.020 0.000 1.150 69 R CA 1.883 57.995 56.100 0.020 0.000 0.966 69 R CB -0.547 29.763 30.300 0.017 0.000 0.869 69 R HN 0.379 nan 8.270 nan 0.000 0.445 70 G N -0.641 108.171 108.800 0.020 0.000 2.509 70 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.218 70 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.218 70 G C 1.231 176.147 174.900 0.027 0.000 1.124 70 G CA 0.761 45.874 45.100 0.021 0.000 0.776 70 G HN 0.457 nan 8.290 nan 0.000 0.547 71 C N -0.244 119.075 119.300 0.031 0.000 2.673 71 C HA 0.409 4.868 4.460 -0.001 0.000 0.264 71 C C 2.463 177.474 174.990 0.035 0.000 1.304 71 C CA -0.173 58.869 59.018 0.039 0.000 1.727 71 C CB -0.755 27.011 27.740 0.044 0.000 1.932 71 C HN 0.392 nan 8.230 nan 0.000 0.563 72 L N -0.232 121.008 121.223 0.029 0.000 2.265 72 L HA 0.210 4.549 4.340 -0.001 0.000 0.195 72 L C 0.740 177.622 176.870 0.020 0.000 1.083 72 L CA 0.360 55.216 54.840 0.026 0.000 0.798 72 L CB -0.506 41.569 42.059 0.027 0.000 0.989 72 L HN 0.117 nan 8.230 nan 0.000 0.472 73 L N 1.567 122.801 121.223 0.018 0.000 2.628 73 L HA 0.011 4.351 4.340 -0.001 0.000 0.274 73 L C 1.244 178.121 176.870 0.013 0.000 1.209 73 L CA 0.883 55.731 54.840 0.013 0.000 0.930 73 L CB -0.181 41.885 42.059 0.012 0.000 1.183 73 L HN 0.559 nan 8.230 nan 0.000 0.492 74 G N 2.236 111.041 108.800 0.010 0.000 2.176 74 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.253 74 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.253 74 G C 0.304 175.209 174.900 0.010 0.000 0.979 74 G CA 0.022 45.127 45.100 0.008 0.000 0.641 74 G HN 0.951 nan 8.290 nan 0.000 0.530 75 A N -0.139 122.688 122.820 0.012 0.000 2.293 75 A HA 0.601 4.920 4.320 -0.001 0.000 0.302 75 A C 0.040 177.627 177.584 0.005 0.000 1.119 75 A CA 0.234 52.279 52.037 0.013 0.000 0.823 75 A CB 0.732 19.745 19.000 0.021 0.000 1.097 75 A HN 0.335 nan 8.150 nan 0.000 0.491 76 D N 1.831 122.232 120.400 0.002 0.000 2.338 76 D HA 0.373 5.012 4.640 -0.001 0.000 0.255 76 D C 1.214 177.503 176.300 -0.018 0.000 1.237 76 D CA 0.593 54.588 54.000 -0.008 0.000 0.883 76 D CB 1.137 41.932 40.800 -0.009 0.000 1.087 76 D HN 0.492 nan 8.370 nan 0.000 0.485 77 A N 4.813 127.618 122.820 -0.024 0.000 2.076 77 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 77 A C 1.813 179.349 177.584 -0.079 0.000 1.160 77 A CA 1.009 53.021 52.037 -0.041 0.000 0.653 77 A CB -0.230 18.749 19.000 -0.036 0.000 0.801 77 A HN 0.584 nan 8.150 nan 0.000 0.455 78 E N 0.161 120.318 120.200 -0.072 0.000 2.338 78 E HA -0.114 4.235 4.350 -0.001 0.000 0.197 78 E C 0.568 177.105 176.600 -0.106 0.000 1.007 78 E CA 0.610 56.952 56.400 -0.097 0.000 0.849 78 E CB -0.142 29.520 29.700 -0.064 0.000 0.774 78 E HN 0.763 nan 8.360 nan 0.000 0.506 79 Q N 0.636 120.395 119.800 -0.069 0.000 3.135 79 Q HA 0.223 4.562 4.340 -0.001 0.000 0.344 79 Q C 1.300 177.276 176.000 -0.041 0.000 1.321 79 Q CA -0.289 55.487 55.803 -0.044 0.000 1.050 79 Q CB 0.242 28.977 28.738 -0.004 0.000 1.498 79 Q HN 0.232 nan 8.270 nan 0.000 0.503 80 I N -0.008 120.485 120.570 -0.129 0.000 2.151 80 I HA -0.339 3.830 4.170 -0.001 0.000 0.243 80 I C 2.225 178.379 176.117 0.062 0.000 1.080 80 I CA 1.327 62.550 61.300 -0.127 0.000 1.339 80 I CB -0.046 37.668 38.000 -0.477 0.000 1.039 80 I HN 0.438 nan 8.210 nan 0.000 0.409 81 E N 1.427 121.663 120.200 0.059 0.000 2.110 81 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 81 E C 2.104 178.823 176.600 0.198 0.000 0.988 81 E CA 1.493 57.977 56.400 0.141 0.000 0.804 81 E CB -0.118 29.628 29.700 0.077 0.000 0.745 81 E HN 0.296 nan 8.360 nan 0.000 0.458 82 K N -0.043 120.438 120.400 0.136 0.000 2.057 82 K HA -0.080 4.240 4.320 -0.001 0.000 0.206 82 K C 2.085 178.793 176.600 0.181 0.000 1.050 82 K CA 1.410 57.786 56.287 0.147 0.000 0.935 82 K CB -0.173 32.381 32.500 0.091 0.000 0.715 82 K HN 0.184 nan 8.250 nan 0.000 0.439 83 I N -0.323 120.338 120.570 0.152 0.000 2.315 83 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 83 I C 2.130 178.363 176.117 0.194 0.000 1.117 83 I CA 1.025 62.409 61.300 0.140 0.000 1.404 83 I CB -0.303 37.750 38.000 0.088 0.000 1.071 83 I HN 0.388 nan 8.210 nan 0.000 0.419 84 W N 1.779 123.141 121.300 0.103 0.000 2.333 84 W HA -0.268 4.392 4.660 -0.001 0.000 0.316 84 W C 2.748 179.381 176.519 0.190 0.000 1.215 84 W CA 1.508 58.933 57.345 0.133 0.000 1.278 84 W CB -0.070 29.454 29.460 0.107 0.000 1.154 84 W HN 0.069 nan 8.180 nan 0.000 0.486 85 Q N 0.381 120.543 119.800 0.604 0.000 2.084 85 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 85 Q C 1.677 177.987 176.000 0.516 0.000 0.978 85 Q CA 1.546 57.715 55.803 0.609 0.000 0.844 85 Q CB -1.463 27.589 28.738 0.522 0.000 0.898 85 Q HN 0.381 nan 8.270 nan 0.000 0.426 89 W N 2.442 123.831 121.300 0.148 0.000 2.436 89 W HA 0.071 4.730 4.660 -0.002 0.000 0.284 89 W C 2.585 179.114 176.519 0.018 0.000 1.225 89 W CA 1.847 59.223 57.345 0.052 0.000 1.271 89 W CB -0.568 28.957 29.460 0.108 0.000 1.114 89 W HN -0.175 nan 8.180 nan 0.000 0.559 90 R N 0.692 121.303 120.500 0.186 0.000 2.096 90 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 90 R C 1.310 177.640 176.300 0.050 0.000 1.127 90 R CA 1.341 57.510 56.100 0.114 0.000 0.968 90 R CB -0.501 29.845 30.300 0.075 0.000 0.861 90 R HN 0.216 nan 8.270 nan 0.000 0.440 91 L N 0.225 121.423 121.223 -0.042 0.000 2.818 91 L HA 0.102 4.441 4.340 -0.001 0.000 0.243 91 L C 1.647 178.392 176.870 -0.208 0.000 1.185 91 L CA -0.324 54.457 54.840 -0.099 0.000 0.988 91 L CB 0.025 42.005 42.059 -0.131 0.000 1.292 91 L HN 0.320 nan 8.230 nan 0.000 0.519 92 H N 0.256 119.141 119.070 -0.308 0.000 2.357 92 H HA -0.146 4.409 4.556 -0.002 0.000 0.301 92 H C 0.144 175.343 175.328 -0.215 0.000 1.082 92 H CA 0.859 56.630 56.048 -0.463 0.000 1.342 92 H CB 0.257 29.709 29.762 -0.517 0.000 1.389 92 H HN 0.219 nan 8.280 nan 0.000 0.511 93 Y N 0.698 121.009 120.300 0.019 0.000 2.569 93 Y HA 0.266 4.815 4.550 -0.001 0.000 0.332 93 Y C 0.996 176.854 175.900 -0.070 0.000 1.120 93 Y CA 0.792 58.901 58.100 0.015 0.000 1.416 93 Y CB 0.006 38.495 38.460 0.049 0.000 1.210 93 Y HN 0.398 nan 8.280 nan 0.000 0.528 94 A N 3.148 125.550 122.820 -0.698 0.000 3.396 94 A HA -0.259 4.060 4.320 -0.001 0.000 0.267 94 A C 1.225 178.627 177.584 -0.302 0.000 1.139 94 A CA 1.580 53.335 52.037 -0.470 0.000 1.115 94 A CB -2.186 16.635 19.000 -0.299 0.000 1.133 94 A HN 1.219 nan 8.150 nan 0.000 0.920 95 G N -2.051 106.538 108.800 -0.352 0.000 2.930 95 G HA2 0.462 4.421 3.960 -0.001 0.000 0.209 95 G HA3 0.462 4.421 3.960 -0.001 0.000 0.209 95 G C 0.512 175.123 174.900 -0.481 0.000 2.018 95 G CA 0.523 45.412 45.100 -0.353 0.000 0.751 95 G HN 1.442 nan 8.290 nan 0.000 0.770 96 R N 0.277 120.290 120.500 -0.813 0.000 3.264 96 R HA -0.056 4.283 4.340 -0.001 0.000 0.251 96 R C 0.321 176.470 176.300 -0.252 0.000 0.971 96 R CA 0.838 56.394 56.100 -0.906 0.000 0.658 96 R CB -1.647 28.091 30.300 -0.937 0.000 1.095 96 R HN 2.146 nan 8.270 nan 0.000 0.443 97 G N -1.732 106.999 108.800 -0.114 0.000 2.331 97 G HA2 0.406 4.365 3.960 -0.001 0.000 0.402 97 G HA3 0.406 4.365 3.960 -0.001 0.000 0.402 97 G C 0.312 175.221 174.900 0.015 0.000 1.275 97 G CA 0.041 45.201 45.100 0.100 0.000 1.003 97 G HN 1.368 nan 8.290 nan 0.000 0.500 98 G N -1.396 107.435 108.800 0.051 0.000 2.645 98 G HA2 0.006 3.965 3.960 -0.001 0.000 0.239 98 G HA3 0.006 3.965 3.960 -0.001 0.000 0.239 98 G C 0.631 175.426 174.900 -0.175 0.000 1.331 98 G CA 1.100 46.176 45.100 -0.039 0.000 0.890 98 G HN 2.038 nan 8.290 nan 0.000 0.572 99 H N 0.075 119.068 119.070 -0.129 0.000 2.426 99 H HA 0.094 4.649 4.556 -0.001 0.000 0.298 99 H C 2.981 178.250 175.328 -0.098 0.000 1.107 99 H CA 3.052 59.026 56.048 -0.122 0.000 1.298 99 H CB -0.451 29.264 29.762 -0.077 0.000 1.377 99 H HN 0.904 nan 8.280 nan 0.000 0.519 100 A N 0.273 123.102 122.820 0.014 0.000 1.986 100 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 100 A C 2.497 180.063 177.584 -0.029 0.000 1.171 100 A CA 2.131 54.149 52.037 -0.032 0.000 0.640 100 A CB -1.068 17.872 19.000 -0.099 0.000 0.811 100 A HN 0.634 nan 8.150 nan 0.000 0.451 101 T N -3.846 110.699 114.554 -0.016 0.000 2.995 101 T HA -0.024 4.325 4.350 -0.001 0.000 0.269 101 T C 1.891 176.603 174.700 0.019 0.000 1.091 101 T CA 1.696 63.828 62.100 0.053 0.000 1.128 101 T CB -0.305 68.651 68.868 0.146 0.000 0.891 101 T HN 0.256 nan 8.240 nan 0.000 0.492 102 S N 1.200 116.870 115.700 -0.051 0.000 2.395 102 S HA 0.319 4.789 4.470 -0.001 0.000 0.225 102 S C 2.577 177.190 174.600 0.022 0.000 1.027 102 S CA 0.640 58.820 58.200 -0.033 0.000 0.965 102 S CB -0.613 62.529 63.200 -0.098 0.000 0.812 102 S HN 0.755 nan 8.310 nan 0.000 0.482 103 A N 1.770 124.601 122.820 0.018 0.000 1.877 103 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 103 A C 2.026 179.622 177.584 0.020 0.000 1.186 103 A CA 1.182 53.237 52.037 0.030 0.000 0.620 103 A CB -0.751 18.258 19.000 0.016 0.000 0.822 103 A HN 0.467 nan 8.150 nan 0.000 0.443 104 I N -0.007 120.553 120.570 -0.016 0.000 2.208 104 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 104 I C 2.679 178.816 176.117 0.033 0.000 1.097 104 I CA 1.540 62.799 61.300 -0.068 0.000 1.363 104 I CB -0.309 37.564 38.000 -0.213 0.000 1.051 104 I HN 0.259 nan 8.210 nan 0.000 0.413 105 S N 0.850 116.605 115.700 0.092 0.000 2.370 105 S HA -0.197 4.272 4.470 -0.001 0.000 0.226 105 S C 2.274 176.941 174.600 0.111 0.000 1.033 105 S CA 1.338 59.621 58.200 0.139 0.000 1.011 105 S CB -0.446 62.819 63.200 0.108 0.000 0.852 105 S HN 0.558 nan 8.310 nan 0.000 0.457 106 A N 1.362 124.239 122.820 0.095 0.000 1.865 106 A HA -0.088 4.231 4.320 -0.001 0.000 0.217 106 A C 2.386 180.051 177.584 0.136 0.000 1.191 106 A CA 1.809 53.913 52.037 0.112 0.000 0.623 106 A CB -1.080 18.003 19.000 0.138 0.000 0.826 106 A HN 0.341 nan 8.150 nan 0.000 0.444 107 V N 0.406 120.392 119.914 0.119 0.000 2.295 107 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 107 V C 2.337 178.533 176.094 0.170 0.000 1.049 107 V CA 2.584 64.957 62.300 0.120 0.000 1.024 107 V CB -0.933 30.933 31.823 0.072 0.000 0.648 107 V HN 0.758 nan 8.190 nan 0.000 0.447 108 D N -0.038 120.493 120.400 0.218 0.000 2.104 108 D HA -0.189 4.450 4.640 -0.001 0.000 0.194 108 D C 1.958 178.544 176.300 0.477 0.000 0.994 108 D CA 1.620 55.840 54.000 0.366 0.000 0.830 108 D CB -0.175 40.931 40.800 0.509 0.000 0.959 108 D HN 0.457 nan 8.370 nan 0.000 0.452 109 I N 0.335 121.124 120.570 0.366 0.000 2.286 109 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 109 I C 2.450 178.831 176.117 0.440 0.000 1.115 109 I CA 1.044 62.590 61.300 0.410 0.000 1.392 109 I CB -0.347 37.706 38.000 0.087 0.000 1.065 109 I HN 0.085 nan 8.210 nan 0.000 0.418 110 A N 0.859 123.859 122.820 0.300 0.000 1.930 110 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 110 A C 2.298 179.993 177.584 0.185 0.000 1.175 110 A CA 1.187 53.370 52.037 0.244 0.000 0.627 110 A CB -0.682 18.432 19.000 0.190 0.000 0.815 110 A HN 0.366 nan 8.150 nan 0.000 0.443 111 L N -2.715 118.607 121.223 0.165 0.000 2.056 111 L HA -0.196 4.143 4.340 -0.001 0.000 0.207 111 L C 2.581 179.454 176.870 0.004 0.000 1.078 111 L CA 1.231 56.093 54.840 0.038 0.000 0.749 111 L CB -0.479 41.561 42.059 -0.031 0.000 0.901 111 L HN 0.601 nan 8.230 nan 0.000 0.433 112 W N 0.565 121.969 121.300 0.173 0.000 2.381 112 W HA -0.206 4.453 4.660 -0.001 0.000 0.301 112 W C 2.407 178.918 176.519 -0.014 0.000 1.205 112 W CA 1.250 58.670 57.345 0.126 0.000 1.285 112 W CB -0.253 29.363 29.460 0.260 0.000 1.133 112 W HN 0.215 nan 8.180 nan 0.000 0.521 113 D N 0.262 120.802 120.400 0.233 0.000 2.104 113 D HA -0.225 4.414 4.640 -0.001 0.000 0.194 113 D C 2.113 178.368 176.300 -0.074 0.000 0.994 113 D CA 1.430 55.399 54.000 -0.053 0.000 0.830 113 D CB -0.458 40.254 40.800 -0.147 0.000 0.959 113 D HN 0.067 nan 8.370 nan 0.000 0.452 114 L N 0.018 121.234 121.223 -0.012 0.000 2.046 114 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 114 L C 2.404 179.245 176.870 -0.047 0.000 1.077 114 L CA 1.407 56.229 54.840 -0.031 0.000 0.747 114 L CB -0.321 41.729 42.059 -0.015 0.000 0.896 114 L HN 0.096 nan 8.230 nan 0.000 0.432 115 K N -0.551 119.822 120.400 -0.046 0.000 2.097 115 K HA -0.140 4.180 4.320 -0.001 0.000 0.205 115 K C 1.860 178.431 176.600 -0.048 0.000 1.050 115 K CA 1.327 57.579 56.287 -0.058 0.000 0.938 115 K CB -0.212 32.230 32.500 -0.096 0.000 0.718 115 K HN 0.425 nan 8.250 nan 0.000 0.442 116 G N 1.118 109.883 108.800 -0.058 0.000 2.403 116 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 116 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 116 G C 1.473 176.304 174.900 -0.115 0.000 1.154 116 G CA 0.592 45.619 45.100 -0.121 0.000 0.784 116 G HN 0.229 nan 8.290 nan 0.000 0.538 117 I N 0.142 120.650 120.570 -0.103 0.000 2.226 117 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 117 I C 2.987 179.067 176.117 -0.062 0.000 1.100 117 I CA 0.936 62.186 61.300 -0.083 0.000 1.374 117 I CB -0.141 37.815 38.000 -0.073 0.000 1.057 117 I HN 0.078 nan 8.210 nan 0.000 0.413 118 R N 0.614 121.080 120.500 -0.056 0.000 2.148 118 R HA -0.012 4.327 4.340 -0.001 0.000 0.227 118 R C 2.053 178.324 176.300 -0.048 0.000 1.103 118 R CA 1.188 57.260 56.100 -0.046 0.000 0.983 118 R CB -0.244 30.030 30.300 -0.043 0.000 0.874 118 R HN 0.316 nan 8.270 nan 0.000 0.451 119 A N 0.564 123.349 122.820 -0.058 0.000 2.275 119 A HA 0.075 4.394 4.320 -0.001 0.000 0.212 119 A C 0.284 177.827 177.584 -0.069 0.000 1.201 119 A CA -0.195 51.806 52.037 -0.060 0.000 0.843 119 A CB -0.025 18.936 19.000 -0.064 0.000 0.873 119 A HN 0.251 nan 8.150 nan 0.000 0.492 120 R N -0.715 119.744 120.500 -0.069 0.000 3.416 120 R HA -0.142 4.197 4.340 -0.001 0.000 0.263 120 R C -0.210 176.038 176.300 -0.087 0.000 1.053 120 R CA 1.033 57.093 56.100 -0.067 0.000 0.705 120 R CB -2.640 27.630 30.300 -0.050 0.000 1.124 120 R HN 0.448 nan 8.270 nan 0.000 0.444 121 T N -0.284 114.198 114.554 -0.119 0.000 2.916 121 T HA 0.474 4.823 4.350 -0.001 0.000 0.305 121 T C -2.695 171.879 174.700 -0.210 0.000 1.119 121 T CA -1.887 60.115 62.100 -0.163 0.000 1.008 121 T CB 1.899 70.652 68.868 -0.191 0.000 1.129 121 T HN -0.083 nan 8.240 nan 0.000 0.480 122 P HA 0.189 nan 4.420 nan 0.000 0.271 122 P C 1.237 178.295 177.300 -0.403 0.000 1.218 122 P CA -0.285 62.696 63.100 -0.199 0.000 0.780 122 P CB 0.778 32.514 31.700 0.061 0.000 0.901 123 L N 1.901 122.756 121.223 -0.614 0.000 2.081 123 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 123 L C 2.579 178.986 176.870 -0.772 0.000 1.080 123 L CA 1.635 55.915 54.840 -0.933 0.000 0.754 123 L CB -0.966 40.354 42.059 -1.231 0.000 0.893 123 L HN 0.600 nan 8.230 nan 0.000 0.433 124 W N 0.930 122.156 121.300 -0.123 0.000 2.392 124 W HA -0.151 4.508 4.660 -0.002 0.000 0.279 124 W C 1.704 178.199 176.519 -0.038 0.000 1.225 124 W CA 0.704 58.056 57.345 0.010 0.000 1.233 124 W CB -0.714 28.818 29.460 0.121 0.000 1.122 124 W HN 0.144 nan 8.180 nan 0.000 0.561 125 K N 0.383 120.286 120.400 -0.829 0.000 2.166 125 K HA -0.071 4.248 4.320 -0.001 0.000 0.201 125 K C 2.171 178.535 176.600 -0.392 0.000 1.052 125 K CA 0.824 56.637 56.287 -0.790 0.000 0.969 125 K CB -0.460 31.473 32.500 -0.945 0.000 0.761 125 K HN -0.015 nan 8.250 nan 0.000 0.459 126 L N 0.735 121.708 121.223 -0.417 0.000 2.079 126 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 126 L C 1.654 178.473 176.870 -0.085 0.000 1.081 126 L CA 1.725 56.405 54.840 -0.268 0.000 0.752 126 L CB -0.346 41.505 42.059 -0.346 0.000 0.896 126 L HN 0.028 nan 8.230 nan 0.000 0.433 127 F N -0.382 119.484 119.950 -0.139 0.000 2.604 127 F HA 0.248 4.775 4.527 0.000 0.000 0.298 127 F C 2.053 177.824 175.800 -0.047 0.000 1.131 127 F CA 0.490 58.411 58.000 -0.131 0.000 1.457 127 F CB -0.652 38.245 39.000 -0.172 0.000 1.095 127 F HN 0.276 nan 8.300 nan 0.000 0.574 128 G N -1.546 107.330 108.800 0.127 0.000 3.898 128 G HA2 0.233 4.192 3.960 -0.001 0.000 0.196 128 G HA3 0.233 4.192 3.960 -0.001 0.000 0.196 128 G C 0.562 175.515 174.900 0.089 0.000 1.322 128 G CA 0.009 45.169 45.100 0.101 0.000 0.942 128 G HN 0.853 nan 8.290 nan 0.000 0.400 129 G N -0.643 108.269 108.800 0.186 0.000 3.391 129 G HA2 0.200 4.159 3.960 -0.001 0.000 0.683 129 G HA3 0.200 4.159 3.960 -0.001 0.000 0.683 129 G C -0.275 174.867 174.900 0.403 0.000 1.071 129 G CA 0.441 45.711 45.100 0.284 0.000 0.904 129 G HN 1.629 nan 8.290 nan 0.000 0.452 130 Y N 1.935 122.455 120.300 0.366 0.000 2.624 130 Y HA 0.551 5.101 4.550 0.000 0.000 0.260 130 Y C 0.518 176.523 175.900 0.174 0.000 1.090 130 Y CA 1.035 59.263 58.100 0.212 0.000 1.347 130 Y CB 1.095 39.640 38.460 0.142 0.000 1.349 130 Y HN 0.601 nan 8.280 nan 0.000 0.502 131 D N -0.050 120.339 120.400 -0.019 0.000 2.804 131 D HA 0.203 4.843 4.640 -0.001 0.000 0.209 131 D C -2.493 173.543 176.300 -0.441 0.000 1.314 131 D CA -1.556 52.274 54.000 -0.284 0.000 0.894 131 D CB 2.284 42.873 40.800 -0.352 0.000 1.615 131 D HN 0.071 nan 8.370 nan 0.000 0.571 132 P HA -0.024 nan 4.420 nan 0.000 0.226 132 P C 0.555 177.533 177.300 -0.536 0.000 1.153 132 P CA 0.179 62.624 63.100 -1.091 0.000 0.777 132 P CB 0.511 31.360 31.700 -1.418 0.000 0.794 133 V N 2.167 121.871 119.914 -0.350 0.000 2.356 133 V HA 0.086 4.205 4.120 -0.001 0.000 0.258 133 V C 0.445 176.448 176.094 -0.152 0.000 1.065 133 V CA -0.184 61.986 62.300 -0.215 0.000 0.935 133 V CB 0.977 32.705 31.823 -0.159 0.000 1.061 133 V HN -0.186 nan 8.190 nan 0.000 0.484 134 V N 8.672 128.506 119.914 -0.134 0.000 2.398 134 V HA 0.407 4.526 4.120 -0.001 0.000 0.286 134 V C -1.951 174.117 176.094 -0.043 0.000 1.026 134 V CA -1.873 60.382 62.300 -0.076 0.000 0.868 134 V CB 2.035 33.816 31.823 -0.070 0.000 0.982 134 V HN 0.668 nan 8.190 nan 0.000 0.443 135 P HA 0.311 nan 4.420 nan 0.000 0.275 135 P C -0.700 176.683 177.300 0.138 0.000 1.228 135 P CA 0.098 63.212 63.100 0.024 0.000 0.786 135 P CB 1.721 33.359 31.700 -0.104 0.000 0.927 136 V N 0.722 120.766 119.914 0.216 0.000 3.158 136 V HA 0.818 4.937 4.120 -0.001 0.000 0.311 136 V C -1.221 175.088 176.094 0.359 0.000 1.181 136 V CA -1.148 61.288 62.300 0.227 0.000 1.054 136 V CB 1.809 33.678 31.823 0.075 0.000 1.085 136 V HN 0.657 nan 8.190 nan 0.000 0.446 137 Y N -0.237 120.145 120.300 0.136 0.000 2.534 137 Y HA 0.933 5.483 4.550 -0.001 0.000 0.345 137 Y C -0.311 175.359 175.900 -0.383 0.000 1.031 137 Y CA -1.079 56.959 58.100 -0.105 0.000 1.022 137 Y CB 1.365 39.651 38.460 -0.290 0.000 1.292 137 Y HN 1.094 nan 8.280 nan 0.000 0.459 138 A N 1.911 124.253 122.820 -0.798 0.000 2.302 138 A HA 0.606 4.925 4.320 -0.001 0.000 0.295 138 A C 0.404 177.542 177.584 -0.743 0.000 1.235 138 A CA -0.075 51.063 52.037 -1.499 0.000 0.876 138 A CB -0.586 16.704 19.000 -2.849 0.000 1.133 138 A HN 1.348 nan 8.150 nan 0.000 0.533 139 G N 2.464 110.961 108.800 -0.505 0.000 2.571 139 G HA2 0.493 4.452 3.960 -0.001 0.000 0.327 139 G HA3 0.493 4.452 3.960 -0.001 0.000 0.327 139 G C 0.354 175.212 174.900 -0.070 0.000 1.008 139 G CA 0.226 45.260 45.100 -0.109 0.000 1.136 139 G HN 1.045 nan 8.290 nan 0.000 0.444 140 G N 0.714 109.528 108.800 0.023 0.000 2.444 140 G HA2 0.452 4.411 3.960 -0.001 0.000 0.268 140 G HA3 0.452 4.411 3.960 -0.001 0.000 0.268 140 G C -0.342 174.602 174.900 0.074 0.000 1.203 140 G CA -0.495 44.687 45.100 0.137 0.000 0.835 140 G HN 0.460 nan 8.290 nan 0.000 0.543 141 I N 1.611 122.213 120.570 0.053 0.000 2.692 141 I HA 0.212 4.382 4.170 -0.001 0.000 0.285 141 I C -0.425 175.711 176.117 0.033 0.000 1.191 141 I CA -0.638 60.684 61.300 0.037 0.000 1.128 141 I CB 1.292 39.301 38.000 0.016 0.000 1.585 141 I HN 0.516 nan 8.210 nan 0.000 0.558 142 D N 1.502 121.922 120.400 0.033 0.000 2.696 142 D HA 0.067 4.706 4.640 -0.001 0.000 0.269 142 D C 1.505 177.809 176.300 0.006 0.000 1.319 142 D CA -0.368 53.642 54.000 0.016 0.000 0.826 142 D CB 0.274 41.084 40.800 0.016 0.000 1.086 142 D HN 0.158 nan 8.370 nan 0.000 0.481 143 L N 0.899 122.127 121.223 0.009 0.000 2.013 143 L HA -0.108 4.231 4.340 -0.001 0.000 0.212 143 L C 1.560 178.430 176.870 -0.001 0.000 1.073 143 L CA 2.007 56.847 54.840 0.001 0.000 0.753 143 L CB -0.328 41.729 42.059 -0.002 0.000 0.890 143 L HN 0.103 nan 8.230 nan 0.000 0.432 144 E N -0.830 119.370 120.200 0.000 0.000 2.489 144 E HA 0.009 4.358 4.350 -0.001 0.000 0.193 144 E C 0.190 176.784 176.600 -0.010 0.000 1.057 144 E CA -0.425 55.973 56.400 -0.003 0.000 0.866 144 E CB 0.098 29.799 29.700 0.001 0.000 0.916 144 E HN 0.202 nan 8.360 nan 0.000 0.500 145 L N 2.278 123.492 121.223 -0.015 0.000 2.455 145 L HA 0.131 4.470 4.340 -0.001 0.000 0.272 145 L C -2.365 174.485 176.870 -0.034 0.000 1.174 145 L CA -1.668 53.156 54.840 -0.027 0.000 0.869 145 L CB 0.336 42.375 42.059 -0.033 0.000 1.130 145 L HN -0.218 nan 8.230 nan 0.000 0.474 146 P HA 0.029 nan 4.420 nan 0.000 0.268 146 P C 0.928 178.192 177.300 -0.060 0.000 1.205 146 P CA -0.333 62.741 63.100 -0.043 0.000 0.771 146 P CB 0.700 32.375 31.700 -0.042 0.000 0.858 147 V N 2.903 122.780 119.914 -0.060 0.000 2.278 147 V HA -0.361 3.759 4.120 -0.001 0.000 0.251 147 V C 2.313 178.342 176.094 -0.108 0.000 1.062 147 V CA 2.784 65.036 62.300 -0.080 0.000 1.038 147 V CB -1.619 30.160 31.823 -0.072 0.000 0.646 147 V HN 0.715 nan 8.190 nan 0.000 0.447 148 A N -0.033 122.729 122.820 -0.097 0.000 1.908 148 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 148 A C 1.923 179.430 177.584 -0.128 0.000 1.181 148 A CA 2.268 54.237 52.037 -0.113 0.000 0.627 148 A CB -0.685 18.266 19.000 -0.082 0.000 0.818 148 A HN 0.579 nan 8.150 nan 0.000 0.445 149 D N -0.790 119.547 120.400 -0.105 0.000 2.224 149 D HA -0.058 4.582 4.640 -0.001 0.000 0.205 149 D C 1.695 177.915 176.300 -0.133 0.000 0.965 149 D CA 0.636 54.570 54.000 -0.110 0.000 0.852 149 D CB -0.266 40.484 40.800 -0.083 0.000 0.947 149 D HN 0.335 nan 8.370 nan 0.000 0.494 150 L N 1.131 122.278 121.223 -0.127 0.000 2.027 150 L HA -0.120 4.219 4.340 -0.001 0.000 0.206 150 L C 1.727 178.493 176.870 -0.173 0.000 1.074 150 L CA 1.801 56.567 54.840 -0.124 0.000 0.745 150 L CB -0.286 41.715 42.059 -0.097 0.000 0.898 150 L HN -0.136 nan 8.230 nan 0.000 0.433 151 K N -1.479 118.769 120.400 -0.253 0.000 2.057 151 K HA -0.105 4.214 4.320 -0.001 0.000 0.206 151 K C 1.901 178.318 176.600 -0.306 0.000 1.050 151 K CA 1.707 57.725 56.287 -0.448 0.000 0.935 151 K CB -0.484 31.565 32.500 -0.751 0.000 0.715 151 K HN 0.338 nan 8.250 nan 0.000 0.439 152 T N 1.577 115.993 114.554 -0.229 0.000 2.684 152 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 152 T C 1.923 176.505 174.700 -0.196 0.000 1.036 152 T CA 1.458 63.459 62.100 -0.165 0.000 1.148 152 T CB -0.179 68.606 68.868 -0.138 0.000 0.863 152 T HN 0.330 nan 8.240 nan 0.000 0.436 153 Q N 0.397 120.041 119.800 -0.259 0.000 2.135 153 Q HA -0.123 4.216 4.340 -0.001 0.000 0.204 153 Q C 2.466 178.112 176.000 -0.589 0.000 0.981 153 Q CA 1.451 56.978 55.803 -0.460 0.000 0.856 153 Q CB -0.276 28.202 28.738 -0.433 0.000 0.902 153 Q HN 0.562 nan 8.270 nan 0.000 0.425 154 A N 1.077 123.743 122.820 -0.257 0.000 1.933 154 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 154 A C 1.660 179.251 177.584 0.012 0.000 1.175 154 A CA 1.736 53.755 52.037 -0.029 0.000 0.628 154 A CB -0.496 18.541 19.000 0.062 0.000 0.814 154 A HN 0.463 nan 8.150 nan 0.000 0.444 155 D N -0.765 119.636 120.400 0.001 0.000 2.144 155 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 155 D C 2.082 178.389 176.300 0.012 0.000 0.984 155 D CA 1.377 55.396 54.000 0.032 0.000 0.834 155 D CB -0.310 40.511 40.800 0.035 0.000 0.955 155 D HN 0.557 nan 8.370 nan 0.000 0.465 156 R N -0.123 120.330 120.500 -0.080 0.000 2.096 156 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 156 R C 2.149 178.512 176.300 0.105 0.000 1.127 156 R CA 0.922 56.987 56.100 -0.058 0.000 0.968 156 R CB -0.196 29.991 30.300 -0.190 0.000 0.861 156 R HN 0.013 nan 8.270 nan 0.000 0.440 157 F N 0.983 120.991 119.950 0.097 0.000 2.146 157 F HA -0.102 4.424 4.527 -0.001 0.000 0.298 157 F C 2.106 178.090 175.800 0.307 0.000 1.096 157 F CA 0.895 59.015 58.000 0.199 0.000 1.275 157 F CB -0.760 38.255 39.000 0.024 0.000 1.008 157 F HN -0.005 nan 8.300 nan 0.000 0.480 158 L N -0.454 120.989 121.223 0.366 0.000 2.017 158 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 158 L C 2.695 179.680 176.870 0.193 0.000 1.073 158 L CA 1.291 56.285 54.840 0.257 0.000 0.745 158 L CB -1.138 40.992 42.059 0.119 0.000 0.894 158 L HN 0.115 nan 8.230 nan 0.000 0.432 159 A N 0.304 123.215 122.820 0.151 0.000 1.978 159 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 159 A C 2.260 179.913 177.584 0.115 0.000 1.170 159 A CA 1.702 53.801 52.037 0.103 0.000 0.636 159 A CB -1.109 17.935 19.000 0.074 0.000 0.810 159 A HN 0.474 nan 8.150 nan 0.000 0.448 160 G N -2.226 106.693 108.800 0.199 0.000 2.848 160 G HA2 0.336 4.295 3.960 -0.001 0.000 0.208 160 G HA3 0.336 4.295 3.960 -0.001 0.000 0.208 160 G C 1.158 176.048 174.900 -0.017 0.000 1.152 160 G CA 0.664 45.862 45.100 0.163 0.000 0.789 160 G HN 1.663 nan 8.290 nan 0.000 0.531 161 G N -1.173 107.639 108.800 0.022 0.000 2.195 161 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.224 161 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.224 161 G C 0.214 175.053 174.900 -0.101 0.000 0.990 161 G CA -0.267 44.784 45.100 -0.080 0.000 0.639 161 G HN 0.255 nan 8.290 nan 0.000 0.514 162 F N 0.936 120.941 119.950 0.093 0.000 2.484 162 F HA 0.550 5.076 4.527 -0.001 0.000 0.360 162 F C 1.794 177.684 175.800 0.151 0.000 1.101 162 F CA 0.132 58.178 58.000 0.078 0.000 1.251 162 F CB 0.793 39.821 39.000 0.047 0.000 1.132 162 F HN -0.055 nan 8.300 nan 0.000 0.570 163 R N 1.712 122.341 120.500 0.216 0.000 2.596 163 R HA 0.586 4.925 4.340 -0.001 0.000 0.369 163 R C -0.824 175.082 176.300 -0.656 0.000 1.042 163 R CA -0.246 55.825 56.100 -0.048 0.000 1.120 163 R CB 0.706 30.972 30.300 -0.057 0.000 1.353 163 R HN 0.564 nan 8.270 nan 0.000 0.564 164 A N 1.089 123.712 122.820 -0.329 0.000 2.513 164 A HA 0.625 4.944 4.320 -0.001 0.000 0.296 164 A C -1.167 176.337 177.584 -0.133 0.000 1.052 164 A CA -0.551 51.142 52.037 -0.573 0.000 0.714 164 A CB 1.295 19.719 19.000 -0.960 0.000 1.279 164 A HN 0.136 nan 8.150 nan 0.000 0.397 165 I N 1.413 121.957 120.570 -0.043 0.000 2.647 165 I HA 0.500 4.669 4.170 -0.001 0.000 0.295 165 I C -0.105 175.923 176.117 -0.148 0.000 1.078 165 I CA -0.576 60.695 61.300 -0.049 0.000 1.048 165 I CB 2.551 40.640 38.000 0.148 0.000 1.239 165 I HN 0.800 nan 8.210 nan 0.000 0.421 169 V N -3.153 116.724 119.914 -0.062 0.000 3.156 169 V HA 0.969 5.089 4.120 -0.001 0.000 0.311 169 V C 0.612 176.604 176.094 -0.170 0.000 1.208 169 V CA -0.027 62.249 62.300 -0.041 0.000 1.063 169 V CB 1.632 33.490 31.823 0.057 0.000 1.098 169 V HN 1.118 nan 8.190 nan 0.000 0.452 170 G N 0.182 108.932 108.800 -0.083 0.000 2.141 170 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.164 170 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.164 170 G C 0.141 175.047 174.900 0.009 0.000 1.009 170 G CA -0.149 44.830 45.100 -0.201 0.000 0.677 170 G HN 0.763 nan 8.290 nan 0.000 0.508 171 R N -0.094 120.460 120.500 0.090 0.000 2.738 171 R HA 0.248 4.588 4.340 -0.001 0.000 0.268 171 R C -1.083 175.280 176.300 0.105 0.000 1.062 171 R CA -1.029 55.115 56.100 0.073 0.000 1.158 171 R CB 0.073 30.414 30.300 0.068 0.000 1.046 171 R HN 0.034 nan 8.270 nan 0.000 0.493 172 P HA -0.140 nan 4.420 nan 0.000 0.217 172 P C -0.149 177.199 177.300 0.080 0.000 1.148 172 P CA 1.420 64.562 63.100 0.071 0.000 0.828 172 P CB 0.207 31.933 31.700 0.043 0.000 0.783 173 D N -1.456 118.988 120.400 0.074 0.000 2.425 173 D HA 0.103 4.742 4.640 -0.001 0.000 0.240 173 D C 0.839 177.185 176.300 0.076 0.000 1.080 173 D CA -0.610 53.428 54.000 0.062 0.000 0.836 173 D CB 0.600 41.424 40.800 0.040 0.000 1.125 173 D HN -0.294 nan 8.370 nan 0.000 0.525 174 L N 4.767 126.031 121.223 0.069 0.000 2.051 174 L HA -0.172 4.168 4.340 -0.001 0.000 0.214 174 L C 1.993 178.897 176.870 0.057 0.000 1.076 174 L CA 2.038 56.916 54.840 0.063 0.000 0.758 174 L CB -0.682 41.367 42.059 -0.018 0.000 0.890 174 L HN 0.524 nan 8.230 nan 0.000 0.433 175 K N 0.146 120.570 120.400 0.039 0.000 2.127 175 K HA -0.238 4.082 4.320 -0.001 0.000 0.208 175 K C 1.883 178.505 176.600 0.036 0.000 1.047 175 K CA 2.166 58.475 56.287 0.037 0.000 0.927 175 K CB -0.300 32.216 32.500 0.027 0.000 0.716 175 K HN 0.630 nan 8.250 nan 0.000 0.450 176 E N -0.071 120.152 120.200 0.038 0.000 2.047 176 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 176 E C 1.730 178.347 176.600 0.028 0.000 0.987 176 E CA 1.267 57.683 56.400 0.028 0.000 0.799 176 E CB -0.138 29.581 29.700 0.031 0.000 0.752 176 E HN 0.385 nan 8.360 nan 0.000 0.449 177 D N 0.402 120.839 120.400 0.061 0.000 2.117 177 D HA -0.129 4.510 4.640 -0.001 0.000 0.197 177 D C 2.105 178.420 176.300 0.025 0.000 0.987 177 D CA 0.796 54.839 54.000 0.072 0.000 0.829 177 D CB -0.188 40.715 40.800 0.172 0.000 0.961 177 D HN 0.006 nan 8.370 nan 0.000 0.460 178 V N 1.673 121.612 119.914 0.041 0.000 2.295 178 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 178 V C 1.917 177.957 176.094 -0.089 0.000 1.049 178 V CA 1.764 64.081 62.300 0.029 0.000 1.024 178 V CB -0.395 31.500 31.823 0.120 0.000 0.648 178 V HN 0.095 nan 8.190 nan 0.000 0.447 179 D N -0.197 120.178 120.400 -0.042 0.000 2.144 179 D HA -0.131 4.509 4.640 -0.001 0.000 0.199 179 D C 2.413 178.644 176.300 -0.115 0.000 0.984 179 D CA 1.162 55.124 54.000 -0.063 0.000 0.834 179 D CB -0.203 40.583 40.800 -0.024 0.000 0.955 179 D HN 0.419 nan 8.370 nan 0.000 0.465 180 R N 0.349 120.790 120.500 -0.098 0.000 2.066 180 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 180 R C 2.482 178.685 176.300 -0.162 0.000 1.131 180 R CA 0.586 56.624 56.100 -0.103 0.000 0.955 180 R CB -0.394 29.871 30.300 -0.059 0.000 0.851 180 R HN 0.042 nan 8.270 nan 0.000 0.432 181 V N 0.305 120.085 119.914 -0.224 0.000 2.343 181 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 181 V C 2.372 178.127 176.094 -0.565 0.000 1.051 181 V CA 2.081 64.184 62.300 -0.327 0.000 1.036 181 V CB -0.441 31.185 31.823 -0.329 0.000 0.654 181 V HN 0.363 nan 8.190 nan 0.000 0.451 182 S N -0.198 115.022 115.700 -0.800 0.000 2.368 182 S HA -0.184 4.286 4.470 -0.001 0.000 0.225 182 S C 2.133 176.586 174.600 -0.246 0.000 1.030 182 S CA 1.634 59.400 58.200 -0.723 0.000 0.999 182 S CB -0.316 62.633 63.200 -0.419 0.000 0.844 182 S HN 0.615 nan 8.310 nan 0.000 0.459 183 A N 0.946 123.660 122.820 -0.177 0.000 1.898 183 A HA 0.039 4.358 4.320 -0.001 0.000 0.216 183 A C 2.106 179.657 177.584 -0.055 0.000 1.181 183 A CA 1.449 53.434 52.037 -0.088 0.000 0.620 183 A CB -0.762 18.184 19.000 -0.090 0.000 0.819 183 A HN 0.530 nan 8.150 nan 0.000 0.442 184 L N -0.422 120.751 121.223 -0.083 0.000 2.109 184 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 184 L C 2.409 179.281 176.870 0.005 0.000 1.086 184 L CA 2.073 56.897 54.840 -0.026 0.000 0.760 184 L CB -0.648 41.383 42.059 -0.046 0.000 0.910 184 L HN 0.450 nan 8.230 nan 0.000 0.437 185 R N 0.137 120.617 120.500 -0.032 0.000 2.081 185 R HA -0.211 4.129 4.340 -0.001 0.000 0.235 185 R C 2.192 178.524 176.300 0.054 0.000 1.131 185 R CA 1.950 58.072 56.100 0.037 0.000 0.960 185 R CB -0.630 29.721 30.300 0.085 0.000 0.856 185 R HN 0.433 nan 8.270 nan 0.000 0.436 186 E N -0.732 119.495 120.200 0.046 0.000 2.051 186 E HA -0.236 4.113 4.350 -0.001 0.000 0.192 186 E C 1.863 178.493 176.600 0.050 0.000 0.991 186 E CA 1.819 58.252 56.400 0.055 0.000 0.799 186 E CB -0.453 29.276 29.700 0.049 0.000 0.748 186 E HN 0.627 nan 8.360 nan 0.000 0.449 187 H N -0.472 118.565 119.070 -0.054 0.000 2.387 187 H HA 0.004 4.559 4.556 -0.001 0.000 0.299 187 H C 1.630 176.891 175.328 -0.113 0.000 1.090 187 H CA 1.960 57.961 56.048 -0.079 0.000 1.332 187 H CB -0.026 29.677 29.762 -0.097 0.000 1.386 187 H HN 0.235 nan 8.280 nan 0.000 0.516 188 L N -0.878 120.233 121.223 -0.187 0.000 2.477 188 L HA 0.263 4.602 4.340 -0.001 0.000 0.220 188 L C 0.740 177.537 176.870 -0.122 0.000 1.106 188 L CA 0.186 54.829 54.840 -0.328 0.000 0.851 188 L CB 0.148 41.940 42.059 -0.445 0.000 0.994 188 L HN 0.533 nan 8.230 nan 0.000 0.462 189 G N 1.319 110.104 108.800 -0.024 0.000 2.785 189 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.686 189 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.686 189 G C -0.169 174.792 174.900 0.102 0.000 1.155 189 G CA -0.183 44.940 45.100 0.040 0.000 0.760 189 G HN 0.436 nan 8.290 nan 0.000 0.624 190 D N -0.199 120.259 120.400 0.096 0.000 2.379 190 D HA 0.169 4.808 4.640 -0.001 0.000 0.243 190 D C 1.549 177.915 176.300 0.110 0.000 1.088 190 D CA 1.081 55.147 54.000 0.111 0.000 0.925 190 D CB 0.602 41.457 40.800 0.092 0.000 0.888 190 D HN 0.506 nan 8.370 nan 0.000 0.529 191 S N -1.373 114.401 115.700 0.124 0.000 2.523 191 S HA 0.178 4.647 4.470 -0.001 0.000 0.217 191 S C -0.083 174.585 174.600 0.113 0.000 0.996 191 S CA -0.856 57.407 58.200 0.105 0.000 0.921 191 S CB -0.289 62.964 63.200 0.087 0.000 0.829 191 S HN 0.265 nan 8.310 nan 0.000 0.495 192 F N 3.635 123.590 119.950 0.008 0.000 2.438 192 F HA 0.436 4.962 4.527 -0.001 0.000 0.356 192 F C -2.487 173.279 175.800 -0.057 0.000 1.099 192 F CA -2.218 55.767 58.000 -0.024 0.000 1.185 192 F CB 0.821 39.803 39.000 -0.030 0.000 1.115 192 F HN 0.028 nan 8.300 nan 0.000 0.526 193 P HA 0.094 nan 4.420 nan 0.000 0.264 193 P C -1.002 176.119 177.300 -0.298 0.000 1.229 193 P CA 0.154 62.995 63.100 -0.431 0.000 0.780 193 P CB 0.650 31.800 31.700 -0.917 0.000 0.808 197 D N 2.208 122.628 120.400 0.034 0.000 2.481 197 D HA 0.814 5.454 4.640 -0.001 0.000 0.246 197 D C 0.537 176.762 176.300 -0.125 0.000 1.109 197 D CA 0.183 54.197 54.000 0.024 0.000 0.845 197 D CB 2.206 43.059 40.800 0.090 0.000 1.160 197 D HN 1.065 nan 8.370 nan 0.000 0.534 198 A N 3.970 126.626 122.820 -0.272 0.000 2.238 198 A HA 0.142 4.462 4.320 -0.001 0.000 0.210 198 A C 0.960 178.314 177.584 -0.382 0.000 1.179 198 A CA 0.028 51.717 52.037 -0.581 0.000 0.827 198 A CB -0.344 17.932 19.000 -1.207 0.000 0.856 198 A HN 0.734 nan 8.150 nan 0.000 0.488 202 W N 3.404 124.693 121.300 -0.018 0.000 2.161 202 W HA 0.385 5.043 4.660 -0.003 0.000 0.344 202 W C 0.789 177.297 176.519 -0.018 0.000 1.262 202 W CA 0.208 57.544 57.345 -0.015 0.000 1.270 202 W CB -0.100 29.352 29.460 -0.013 0.000 1.126 202 W HN 0.229 nan 8.180 nan 0.000 0.598 203 T N -2.288 112.410 114.554 0.239 0.000 2.847 203 T HA 0.272 4.621 4.350 -0.001 0.000 0.279 203 T C 1.043 175.805 174.700 0.103 0.000 0.984 203 T CA -0.765 61.405 62.100 0.117 0.000 0.988 203 T CB 1.022 69.930 68.868 0.067 0.000 1.040 203 T HN 0.144 nan 8.240 nan 0.000 0.528 204 V N 1.173 121.122 119.914 0.058 0.000 2.255 204 V HA -0.174 3.945 4.120 -0.001 0.000 0.247 204 V C 2.540 178.640 176.094 0.009 0.000 1.051 204 V CA 2.202 64.526 62.300 0.039 0.000 1.018 204 V CB -0.825 31.011 31.823 0.021 0.000 0.641 204 V HN 0.873 nan 8.190 nan 0.000 0.445 205 D N 0.556 120.953 120.400 -0.005 0.000 2.123 205 D HA -0.123 4.516 4.640 -0.001 0.000 0.196 205 D C 2.200 178.453 176.300 -0.077 0.000 0.992 205 D CA 1.684 55.664 54.000 -0.033 0.000 0.833 205 D CB -0.704 40.080 40.800 -0.026 0.000 0.954 205 D HN 0.482 nan 8.370 nan 0.000 0.455 206 G N 0.742 109.499 108.800 -0.072 0.000 2.422 206 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.218 206 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.218 206 G C 1.713 176.372 174.900 -0.402 0.000 1.146 206 G CA 1.227 46.219 45.100 -0.178 0.000 0.769 206 G HN 0.404 nan 8.290 nan 0.000 0.547 207 A N 0.629 123.322 122.820 -0.211 0.000 1.898 207 A HA 0.106 4.426 4.320 -0.001 0.000 0.216 207 A C 2.388 179.804 177.584 -0.280 0.000 1.181 207 A CA 1.153 53.043 52.037 -0.245 0.000 0.620 207 A CB -0.292 18.806 19.000 0.164 0.000 0.819 207 A HN 0.377 nan 8.150 nan 0.000 0.442 208 I N -1.007 119.470 120.570 -0.155 0.000 2.252 208 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 208 I C 2.689 178.712 176.117 -0.157 0.000 1.102 208 I CA 1.588 62.822 61.300 -0.110 0.000 1.385 208 I CB -0.295 37.671 38.000 -0.057 0.000 1.064 208 I HN 0.390 nan 8.210 nan 0.000 0.414 209 R N 1.445 121.826 120.500 -0.198 0.000 2.081 209 R HA -0.175 4.165 4.340 -0.001 0.000 0.235 209 R C 2.362 178.504 176.300 -0.263 0.000 1.131 209 R CA 1.625 57.610 56.100 -0.192 0.000 0.960 209 R CB -0.253 29.938 30.300 -0.182 0.000 0.856 209 R HN 0.327 nan 8.270 nan 0.000 0.436 210 A N 0.902 123.431 122.820 -0.486 0.000 1.877 210 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 210 A C 2.426 179.813 177.584 -0.328 0.000 1.186 210 A CA 1.695 53.383 52.037 -0.581 0.000 0.620 210 A CB -0.954 17.175 19.000 -1.450 0.000 0.822 210 A HN 0.556 nan 8.150 nan 0.000 0.443 211 A N -0.380 122.255 122.820 -0.309 0.000 1.908 211 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 211 A C 2.269 179.868 177.584 0.025 0.000 1.181 211 A CA 1.648 53.579 52.037 -0.177 0.000 0.627 211 A CB -0.509 18.422 19.000 -0.115 0.000 0.818 211 A HN 0.542 nan 8.150 nan 0.000 0.445 212 R N -0.838 119.650 120.500 -0.020 0.000 2.081 212 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 212 R C 2.484 178.786 176.300 0.002 0.000 1.131 212 R CA 1.233 57.336 56.100 0.005 0.000 0.960 212 R CB -0.463 29.820 30.300 -0.029 0.000 0.856 212 R HN 0.529 nan 8.270 nan 0.000 0.436 213 A N 0.882 123.692 122.820 -0.017 0.000 1.969 213 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 213 A C 2.020 179.665 177.584 0.101 0.000 1.169 213 A CA 1.064 53.113 52.037 0.020 0.000 0.635 213 A CB -0.262 18.743 19.000 0.008 0.000 0.810 213 A HN 0.188 nan 8.150 nan 0.000 0.445 214 L N -1.146 120.161 121.223 0.140 0.000 2.529 214 L HA 0.091 4.431 4.340 -0.001 0.000 0.223 214 L C 2.742 179.756 176.870 0.239 0.000 1.113 214 L CA 0.429 55.461 54.840 0.319 0.000 0.861 214 L CB -0.320 41.903 42.059 0.273 0.000 1.012 214 L HN 0.378 nan 8.230 nan 0.000 0.461 215 A N 1.281 124.193 122.820 0.153 0.000 1.986 215 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 215 A C -0.040 177.460 177.584 -0.140 0.000 1.171 215 A CA 1.628 53.705 52.037 0.068 0.000 0.640 215 A CB -1.575 17.436 19.000 0.019 0.000 0.811 215 A HN 0.287 nan 8.150 nan 0.000 0.451 216 P HA -0.099 nan 4.420 nan 0.000 0.220 216 P C 0.466 177.429 177.300 -0.561 0.000 1.148 216 P CA 0.814 63.571 63.100 -0.571 0.000 0.803 216 P CB -0.135 31.057 31.700 -0.848 0.000 0.782 217 F N -1.611 118.377 119.950 0.064 0.000 2.765 217 F HA 0.161 4.687 4.527 -0.002 0.000 0.302 217 F C 0.522 176.364 175.800 0.069 0.000 1.111 217 F CA -0.526 57.513 58.000 0.065 0.000 1.359 217 F CB -1.327 37.717 39.000 0.073 0.000 1.097 217 F HN -0.126 nan 8.300 nan 0.000 0.577 218 D N 1.751 122.226 120.400 0.125 0.000 2.803 218 D HA -0.221 4.418 4.640 -0.001 0.000 0.233 218 D C -0.268 176.117 176.300 0.142 0.000 1.182 218 D CA 0.262 54.312 54.000 0.083 0.000 0.726 218 D CB -0.827 40.004 40.800 0.051 0.000 0.987 218 D HN 0.226 nan 8.370 nan 0.000 0.412 219 L N 1.767 123.123 121.223 0.222 0.000 2.416 219 L HA 0.094 4.433 4.340 -0.001 0.000 0.272 219 L C 2.120 179.107 176.870 0.194 0.000 1.161 219 L CA -0.531 54.442 54.840 0.222 0.000 0.845 219 L CB 0.717 42.953 42.059 0.295 0.000 1.119 219 L HN 0.337 nan 8.230 nan 0.000 0.464 220 H N 2.867 121.931 119.070 -0.009 0.000 2.421 220 H HA -0.096 4.459 4.556 -0.001 0.000 0.298 220 H C -0.541 174.919 175.328 0.220 0.000 1.087 220 H CA 1.735 57.779 56.048 -0.006 0.000 1.330 220 H CB 0.451 30.051 29.762 -0.270 0.000 1.388 220 H HN 0.693 nan 8.280 nan 0.000 0.526 221 W N -1.064 120.350 121.300 0.189 0.000 3.173 221 W HA 0.449 5.110 4.660 0.001 0.000 0.313 221 W C -2.479 174.108 176.519 0.113 0.000 1.228 221 W CA -1.363 56.072 57.345 0.149 0.000 1.185 221 W CB -0.083 29.445 29.460 0.114 0.000 1.390 221 W HN -0.249 nan 8.180 nan 0.000 0.568 222 I N 2.489 123.355 120.570 0.493 0.000 2.362 222 I HA 0.277 4.447 4.170 -0.001 0.000 0.289 222 I C -0.184 176.122 176.117 0.314 0.000 0.994 222 I CA -0.869 60.626 61.300 0.325 0.000 1.158 222 I CB 1.783 39.887 38.000 0.173 0.000 1.315 222 I HN 0.562 nan 8.210 nan 0.000 0.451 223 E N 6.209 126.586 120.200 0.294 0.000 2.191 223 E HA 0.207 4.557 4.350 -0.001 0.000 0.278 223 E C -0.611 176.021 176.600 0.053 0.000 0.972 223 E CA -0.434 56.068 56.400 0.170 0.000 0.804 223 E CB 0.855 30.715 29.700 0.267 0.000 1.110 223 E HN 0.491 nan 8.360 nan 0.000 0.394 224 E N 3.308 123.514 120.200 0.011 0.000 2.202 224 E HA -0.185 4.164 4.350 -0.001 0.000 0.169 224 E C -1.853 174.721 176.600 -0.043 0.000 1.536 224 E CA -0.029 56.354 56.400 -0.029 0.000 0.664 224 E CB -0.362 29.306 29.700 -0.052 0.000 1.064 224 E HN 0.533 nan 8.360 nan 0.000 0.327 225 P HA -0.170 nan 4.420 nan 0.000 0.217 225 P C 0.806 178.187 177.300 0.133 0.000 1.150 225 P CA 1.376 64.580 63.100 0.173 0.000 0.832 225 P CB 0.415 32.288 31.700 0.289 0.000 0.787 226 T N -1.883 112.709 114.554 0.064 0.000 2.618 226 T HA 0.497 4.847 4.350 -0.001 0.000 0.286 226 T C -0.647 174.042 174.700 -0.017 0.000 1.027 226 T CA -1.085 61.038 62.100 0.040 0.000 1.063 226 T CB 0.450 69.361 68.868 0.072 0.000 1.440 226 T HN -0.045 nan 8.240 nan 0.000 0.505 227 I N 1.493 122.049 120.570 -0.023 0.000 2.692 227 I HA 0.349 4.518 4.170 -0.001 0.000 0.284 227 I C -1.478 174.606 176.117 -0.056 0.000 1.159 227 I CA -1.568 59.704 61.300 -0.047 0.000 1.423 227 I CB 0.628 38.604 38.000 -0.041 0.000 1.380 227 I HN 0.440 nan 8.210 nan 0.000 0.580 228 P HA -0.101 nan 4.420 nan 0.000 0.223 228 P C 0.628 177.867 177.300 -0.102 0.000 1.151 228 P CA 1.219 64.252 63.100 -0.111 0.000 0.787 228 P CB 0.054 31.656 31.700 -0.163 0.000 0.788 229 D N -0.051 120.301 120.400 -0.079 0.000 2.263 229 D HA -0.123 4.516 4.640 -0.001 0.000 0.208 229 D C 0.743 177.014 176.300 -0.048 0.000 0.971 229 D CA 0.997 54.959 54.000 -0.062 0.000 0.867 229 D CB -0.700 40.072 40.800 -0.045 0.000 0.929 229 D HN 0.197 nan 8.370 nan 0.000 0.492 230 D N 0.198 120.573 120.400 -0.042 0.000 2.483 230 D HA 0.080 4.720 4.640 -0.001 0.000 0.220 230 D C 0.985 177.265 176.300 -0.033 0.000 1.173 230 D CA -0.091 53.891 54.000 -0.029 0.000 0.964 230 D CB 0.195 40.984 40.800 -0.018 0.000 1.046 230 D HN 0.064 nan 8.370 nan 0.000 0.517 231 L N 2.506 123.707 121.223 -0.036 0.000 2.017 231 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 231 L C 2.339 179.193 176.870 -0.027 0.000 1.073 231 L CA 0.634 55.451 54.840 -0.038 0.000 0.745 231 L CB -0.362 41.673 42.059 -0.039 0.000 0.894 231 L HN 0.297 nan 8.230 nan 0.000 0.432 232 V N 0.315 120.217 119.914 -0.020 0.000 2.261 232 V HA -0.224 3.896 4.120 -0.001 0.000 0.246 232 V C 2.641 178.729 176.094 -0.010 0.000 1.047 232 V CA 2.143 64.435 62.300 -0.014 0.000 1.015 232 V CB -1.362 30.454 31.823 -0.011 0.000 0.642 232 V HN 0.569 nan 8.190 nan 0.000 0.446 233 G N -0.077 108.719 108.800 -0.007 0.000 2.418 233 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 233 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 233 G C 1.460 176.362 174.900 0.003 0.000 1.158 233 G CA 0.867 45.967 45.100 -0.000 0.000 0.771 233 G HN 0.504 nan 8.290 nan 0.000 0.545 234 N N 1.088 119.786 118.700 -0.004 0.000 2.188 234 N HA -0.079 4.660 4.740 -0.001 0.000 0.184 234 N C 2.542 178.050 175.510 -0.002 0.000 1.018 234 N CA 1.137 54.186 53.050 -0.002 0.000 0.858 234 N CB -0.228 38.247 38.487 -0.021 0.000 0.989 234 N HN 0.311 nan 8.380 nan 0.000 0.426 235 A N 1.320 124.134 122.820 -0.009 0.000 1.969 235 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 235 A C 2.245 179.829 177.584 -0.001 0.000 1.169 235 A CA 0.982 53.014 52.037 -0.009 0.000 0.635 235 A CB -0.387 18.604 19.000 -0.015 0.000 0.810 235 A HN 0.225 nan 8.150 nan 0.000 0.445 236 R N -0.215 120.285 120.500 0.001 0.000 2.090 236 R HA -0.007 4.332 4.340 -0.001 0.000 0.228 236 R C 1.829 178.135 176.300 0.011 0.000 1.110 236 R CA 1.420 57.523 56.100 0.004 0.000 0.973 236 R CB -0.338 29.963 30.300 0.002 0.000 0.869 236 R HN 0.541 nan 8.270 nan 0.000 0.440 237 I N 0.336 120.917 120.570 0.017 0.000 2.226 237 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 237 I C 2.211 178.351 176.117 0.038 0.000 1.100 237 I CA 0.945 62.263 61.300 0.030 0.000 1.374 237 I CB -0.195 37.833 38.000 0.046 0.000 1.057 237 I HN 0.035 nan 8.210 nan 0.000 0.413 238 V N 1.003 120.935 119.914 0.030 0.000 2.287 238 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 238 V C 2.562 178.674 176.094 0.030 0.000 1.053 238 V CA 1.968 64.288 62.300 0.033 0.000 1.027 238 V CB -0.761 31.072 31.823 0.016 0.000 0.646 238 V HN 0.387 nan 8.190 nan 0.000 0.447 239 R N -0.371 120.139 120.500 0.018 0.000 2.120 239 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 239 R C 2.062 178.371 176.300 0.016 0.000 1.123 239 R CA 1.505 57.612 56.100 0.012 0.000 0.975 239 R CB -0.135 30.168 30.300 0.005 0.000 0.866 239 R HN 0.623 nan 8.270 nan 0.000 0.446 240 E N -0.573 119.639 120.200 0.020 0.000 2.447 240 E HA -0.007 4.342 4.350 -0.001 0.000 0.204 240 E C 1.561 178.183 176.600 0.037 0.000 0.977 240 E CA 0.495 56.907 56.400 0.019 0.000 0.950 240 E CB 0.632 30.337 29.700 0.007 0.000 0.975 240 E HN 0.239 nan 8.360 nan 0.000 0.496 241 S N -0.124 115.615 115.700 0.065 0.000 2.496 241 S HA 0.051 4.520 4.470 -0.001 0.000 0.224 241 S C 1.764 176.501 174.600 0.228 0.000 0.996 241 S CA 0.566 58.842 58.200 0.127 0.000 0.927 241 S CB 0.016 63.291 63.200 0.126 0.000 0.774 241 S HN 0.285 nan 8.310 nan 0.000 0.524 242 G N 0.761 109.633 108.800 0.120 0.000 2.225 242 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.267 242 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.267 242 G C -0.135 174.732 174.900 -0.053 0.000 1.024 242 G CA 0.685 45.802 45.100 0.029 0.000 0.784 242 G HN 0.770 nan 8.290 nan 0.000 0.507 243 H N -1.516 117.580 119.070 0.043 0.000 2.928 243 H HA 0.617 5.172 4.556 -0.002 0.000 0.371 243 H C 0.114 175.488 175.328 0.078 0.000 1.186 243 H CA -0.119 55.972 56.048 0.071 0.000 1.134 243 H CB 1.266 31.093 29.762 0.108 0.000 1.824 243 H HN 0.097 nan 8.280 nan 0.000 0.554 244 T N 2.929 117.628 114.554 0.243 0.000 2.834 244 T HA 0.174 4.524 4.350 -0.001 0.000 0.298 244 T C 0.146 174.960 174.700 0.189 0.000 0.966 244 T CA -0.090 62.116 62.100 0.177 0.000 1.141 244 T CB -0.142 68.857 68.868 0.218 0.000 0.905 244 T HN 0.206 nan 8.240 nan 0.000 0.535 245 I N 3.593 124.213 120.570 0.084 0.000 2.330 245 I HA 0.434 4.603 4.170 -0.001 0.000 0.286 245 I C 0.550 176.628 176.117 -0.066 0.000 1.025 245 I CA -0.967 60.362 61.300 0.049 0.000 1.197 245 I CB 0.380 38.407 38.000 0.046 0.000 1.358 245 I HN 0.615 nan 8.210 nan 0.000 0.467 246 A N 4.840 127.566 122.820 -0.157 0.000 2.303 246 A HA 0.928 5.247 4.320 -0.001 0.000 0.317 246 A C 0.307 177.801 177.584 -0.149 0.000 1.149 246 A CA -0.239 51.609 52.037 -0.313 0.000 0.822 246 A CB 1.229 19.747 19.000 -0.803 0.000 1.131 246 A HN 0.873 nan 8.150 nan 0.000 0.493 247 G N -1.469 107.260 108.800 -0.120 0.000 2.601 247 G HA2 0.619 4.578 3.960 -0.001 0.000 0.291 247 G HA3 0.619 4.578 3.960 -0.001 0.000 0.291 247 G C 0.076 174.942 174.900 -0.056 0.000 1.456 247 G CA 0.266 45.314 45.100 -0.086 0.000 0.804 247 G HN 2.056 nan 8.290 nan 0.000 0.499 248 G N -0.430 108.304 108.800 -0.110 0.000 2.977 248 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.211 248 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.211 248 G C 0.969 175.858 174.900 -0.019 0.000 0.994 248 G CA 1.114 46.152 45.100 -0.104 0.000 0.795 248 G HN 1.149 nan 8.290 nan 0.000 0.518 249 E N 0.539 120.711 120.200 -0.047 0.000 2.265 249 E HA -0.023 4.326 4.350 -0.001 0.000 0.196 249 E C 1.367 177.905 176.600 -0.103 0.000 0.996 249 E CA 1.083 57.429 56.400 -0.091 0.000 0.832 249 E CB -0.169 29.288 29.700 -0.404 0.000 0.756 249 E HN 0.390 nan 8.360 nan 0.000 0.491 250 N N 0.451 119.031 118.700 -0.199 0.000 2.236 250 N HA 0.170 4.910 4.740 -0.001 0.000 0.196 250 N C -0.304 174.761 175.510 -0.742 0.000 1.114 250 N CA 0.053 52.912 53.050 -0.318 0.000 0.859 250 N CB 0.642 39.018 38.487 -0.184 0.000 0.982 250 N HN 0.192 nan 8.380 nan 0.000 0.493 251 L N 0.516 121.385 121.223 -0.591 0.000 2.312 251 L HA 0.232 4.571 4.340 -0.001 0.000 0.281 251 L C 0.581 177.203 176.870 -0.415 0.000 1.070 251 L CA -0.163 54.310 54.840 -0.612 0.000 0.805 251 L CB 0.840 42.370 42.059 -0.881 0.000 1.174 251 L HN 0.122 nan 8.230 nan 0.000 0.434 252 H N -0.252 118.826 119.070 0.012 0.000 2.923 252 H HA 0.147 4.703 4.556 -0.000 0.000 0.268 252 H C 0.032 175.466 175.328 0.177 0.000 1.148 252 H CA -0.190 55.919 56.048 0.102 0.000 1.146 252 H CB 0.910 30.711 29.762 0.066 0.000 1.607 252 H HN 0.674 nan 8.280 nan 0.000 0.566 253 T N -2.519 112.177 114.554 0.237 0.000 2.883 253 T HA 0.151 4.500 4.350 -0.001 0.000 0.301 253 T C 0.592 175.344 174.700 0.085 0.000 1.158 253 T CA -0.927 61.282 62.100 0.180 0.000 1.007 253 T CB 1.746 70.792 68.868 0.297 0.000 1.186 253 T HN 0.019 nan 8.240 nan 0.000 0.499 254 L N 0.925 122.036 121.223 -0.187 0.000 2.079 254 L HA 0.054 4.393 4.340 -0.001 0.000 0.210 254 L C 1.990 178.791 176.870 -0.114 0.000 1.081 254 L CA 1.766 56.465 54.840 -0.235 0.000 0.752 254 L CB -1.263 40.465 42.059 -0.551 0.000 0.896 254 L HN 0.826 nan 8.230 nan 0.000 0.433 255 Y N -0.475 119.874 120.300 0.082 0.000 2.224 255 Y HA -0.190 4.358 4.550 -0.003 0.000 0.289 255 Y C 2.462 178.443 175.900 0.135 0.000 1.146 255 Y CA 1.149 59.323 58.100 0.123 0.000 1.182 255 Y CB -1.021 37.504 38.460 0.109 0.000 0.983 255 Y HN 0.231 nan 8.280 nan 0.000 0.524 256 D N -0.379 120.141 120.400 0.200 0.000 2.104 256 D HA -0.172 4.467 4.640 -0.001 0.000 0.194 256 D C 2.005 178.264 176.300 -0.068 0.000 0.994 256 D CA 1.363 55.371 54.000 0.014 0.000 0.830 256 D CB -0.570 40.150 40.800 -0.133 0.000 0.959 256 D HN 0.250 nan 8.370 nan 0.000 0.452 257 F N 0.153 120.104 119.950 0.002 0.000 2.186 257 F HA -0.125 4.400 4.527 -0.002 0.000 0.299 257 F C 2.414 178.218 175.800 0.007 0.000 1.090 257 F CA 1.106 59.087 58.000 -0.033 0.000 1.307 257 F CB -0.544 38.407 39.000 -0.082 0.000 1.019 257 F HN 0.102 nan 8.300 nan 0.000 0.489 258 H N 0.307 119.461 119.070 0.140 0.000 2.290 258 H HA -0.158 4.399 4.556 0.002 0.000 0.298 258 H C 2.126 177.493 175.328 0.065 0.000 1.087 258 H CA 2.273 58.376 56.048 0.091 0.000 1.291 258 H CB -0.441 29.389 29.762 0.113 0.000 1.369 258 H HN 0.001 nan 8.280 nan 0.000 0.492 259 N N 0.430 119.122 118.700 -0.014 0.000 2.043 259 N HA -0.158 4.581 4.740 -0.001 0.000 0.193 259 N C 2.092 177.533 175.510 -0.116 0.000 1.037 259 N CA 1.630 54.621 53.050 -0.098 0.000 0.851 259 N CB -0.962 37.522 38.487 -0.005 0.000 1.027 259 N HN 0.554 nan 8.380 nan 0.000 0.422 260 A N 0.737 123.503 122.820 -0.090 0.000 1.883 260 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 260 A C 2.576 180.119 177.584 -0.068 0.000 1.186 260 A CA 1.604 53.586 52.037 -0.092 0.000 0.624 260 A CB -0.898 18.019 19.000 -0.138 0.000 0.822 260 A HN 0.126 nan 8.150 nan 0.000 0.444 261 V N -0.075 119.812 119.914 -0.045 0.000 2.307 261 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 261 V C 2.663 178.709 176.094 -0.080 0.000 1.045 261 V CA 2.265 64.544 62.300 -0.036 0.000 1.024 261 V CB -0.783 31.043 31.823 0.004 0.000 0.651 261 V HN 0.671 nan 8.190 nan 0.000 0.449 262 R N 0.347 120.751 120.500 -0.159 0.000 2.081 262 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 262 R C 2.029 178.267 176.300 -0.103 0.000 1.131 262 R CA 1.716 57.714 56.100 -0.169 0.000 0.960 262 R CB -0.352 29.756 30.300 -0.319 0.000 0.856 262 R HN 0.489 nan 8.270 nan 0.000 0.436 263 A N -0.279 122.485 122.820 -0.094 0.000 2.208 263 A HA 0.190 4.509 4.320 -0.001 0.000 0.209 263 A C 1.223 178.780 177.584 -0.045 0.000 1.161 263 A CA 0.694 52.694 52.037 -0.061 0.000 0.782 263 A CB -0.197 18.768 19.000 -0.057 0.000 0.816 263 A HN 0.577 nan 8.150 nan 0.000 0.477 264 G N 0.170 108.943 108.800 -0.046 0.000 2.246 264 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.273 264 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.273 264 G C 0.768 175.652 174.900 -0.027 0.000 1.055 264 G CA 0.952 46.034 45.100 -0.031 0.000 0.851 264 G HN 1.387 nan 8.290 nan 0.000 0.500 265 S N -1.574 114.104 115.700 -0.037 0.000 2.603 265 S HA 0.512 4.982 4.470 -0.001 0.000 0.220 265 S C 0.583 175.163 174.600 -0.033 0.000 0.967 265 S CA 0.936 59.115 58.200 -0.035 0.000 0.920 265 S CB -0.115 63.055 63.200 -0.049 0.000 0.773 265 S HN 1.864 nan 8.310 nan 0.000 0.529 266 L N -3.429 117.776 121.223 -0.030 0.000 2.710 266 L HA 0.707 5.047 4.340 -0.001 0.000 0.260 266 L C 0.239 177.096 176.870 -0.022 0.000 0.993 266 L CA -0.189 54.633 54.840 -0.029 0.000 0.877 266 L CB 0.883 42.914 42.059 -0.046 0.000 1.461 266 L HN 0.013 nan 8.230 nan 0.000 0.413 267 T N -1.714 112.825 114.554 -0.026 0.000 2.985 267 T HA 0.497 4.847 4.350 -0.001 0.000 0.254 267 T C 0.039 174.713 174.700 -0.044 0.000 1.021 267 T CA 0.483 62.570 62.100 -0.022 0.000 0.957 267 T CB 0.237 69.103 68.868 -0.003 0.000 1.047 267 T HN 0.577 nan 8.240 nan 0.000 0.511 268 L N 3.275 124.445 121.223 -0.087 0.000 2.457 268 L HA 0.575 4.914 4.340 -0.001 0.000 0.266 268 L C -2.994 173.796 176.870 -0.132 0.000 0.979 268 L CA -2.329 52.424 54.840 -0.144 0.000 0.857 268 L CB 1.958 43.843 42.059 -0.290 0.000 1.213 268 L HN -0.190 nan 8.230 nan 0.000 0.418 269 P HA 0.216 nan 4.420 nan 0.000 0.275 269 P C -1.132 176.151 177.300 -0.028 0.000 1.227 269 P CA -0.028 63.099 63.100 0.045 0.000 0.781 269 P CB 0.820 32.549 31.700 0.048 0.000 0.906 270 E N 3.621 123.880 120.200 0.098 0.000 3.303 270 E HA 0.251 4.600 4.350 -0.001 0.000 0.215 270 E C -2.229 174.483 176.600 0.186 0.000 1.181 270 E CA -1.910 54.538 56.400 0.080 0.000 0.998 270 E CB 0.965 30.711 29.700 0.077 0.000 1.312 270 E HN 0.441 nan 8.360 nan 0.000 0.412 271 P HA 0.054 nan 4.420 nan 0.000 0.274 271 P C -0.508 176.942 177.300 0.250 0.000 1.237 271 P CA -0.152 62.967 63.100 0.031 0.000 0.793 271 P CB 1.148 32.425 31.700 -0.705 0.000 0.977 272 D N 1.216 121.809 120.400 0.322 0.000 2.471 272 D HA 0.047 4.686 4.640 -0.001 0.000 0.245 272 D C 1.023 177.526 176.300 0.338 0.000 1.116 272 D CA -0.747 53.478 54.000 0.375 0.000 0.853 272 D CB 1.634 42.662 40.800 0.380 0.000 1.123 272 D HN -0.043 nan 8.370 nan 0.000 0.540 273 V N 3.974 124.079 119.914 0.318 0.000 2.546 273 V HA -0.226 3.893 4.120 -0.001 0.000 0.254 273 V C 1.914 178.033 176.094 0.042 0.000 1.076 273 V CA 2.924 65.299 62.300 0.125 0.000 1.087 273 V CB -0.297 31.332 31.823 -0.324 0.000 0.674 273 V HN 0.667 nan 8.190 nan 0.000 0.470 274 S N 0.517 116.268 115.700 0.085 0.000 2.561 274 S HA -0.035 4.434 4.470 -0.001 0.000 0.225 274 S C 1.250 175.900 174.600 0.083 0.000 0.977 274 S CA 0.863 59.114 58.200 0.086 0.000 0.926 274 S CB -0.391 62.934 63.200 0.208 0.000 0.769 274 S HN 0.906 nan 8.310 nan 0.000 0.533 275 N N 0.027 118.800 118.700 0.120 0.000 2.075 275 N HA 0.219 4.958 4.740 -0.001 0.000 0.226 275 N C 0.880 176.505 175.510 0.192 0.000 1.343 275 N CA -0.179 52.919 53.050 0.082 0.000 0.881 275 N CB -0.591 37.902 38.487 0.011 0.000 1.100 275 N HN 0.381 nan 8.380 nan 0.000 0.495 276 I N -0.185 120.533 120.570 0.245 0.000 3.428 276 I HA 0.266 4.435 4.170 -0.001 0.000 0.286 276 I C 0.742 177.029 176.117 0.283 0.000 1.287 276 I CA 1.040 62.505 61.300 0.275 0.000 1.396 276 I CB -0.044 38.095 38.000 0.233 0.000 1.062 276 I HN 0.441 nan 8.210 nan 0.000 0.471 277 G N 0.249 109.234 108.800 0.308 0.000 2.200 277 G HA2 0.053 4.012 3.960 -0.001 0.000 0.145 277 G HA3 0.053 4.012 3.960 -0.001 0.000 0.145 277 G C 0.576 175.778 174.900 0.503 0.000 1.021 277 G CA -0.416 44.989 45.100 0.509 0.000 0.720 277 G HN 0.987 nan 8.290 nan 0.000 0.494 278 G N -1.043 107.916 108.800 0.265 0.000 2.660 278 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.215 278 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.215 278 G C 0.414 175.364 174.900 0.085 0.000 1.345 278 G CA 0.347 45.542 45.100 0.158 0.000 0.877 278 G HN 0.834 nan 8.290 nan 0.000 0.549 279 Y N 0.527 120.880 120.300 0.087 0.000 2.242 279 Y HA -0.047 4.502 4.550 -0.002 0.000 0.291 279 Y C 3.449 179.201 175.900 -0.247 0.000 1.137 279 Y CA 2.368 60.321 58.100 -0.244 0.000 1.181 279 Y CB -0.881 37.203 38.460 -0.627 0.000 0.989 279 Y HN 0.607 nan 8.280 nan 0.000 0.527 280 T N -0.733 113.947 114.554 0.210 0.000 2.635 280 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 280 T C 1.872 176.475 174.700 -0.161 0.000 1.040 280 T CA 2.358 64.521 62.100 0.105 0.000 1.156 280 T CB -0.627 68.325 68.868 0.139 0.000 0.863 280 T HN 0.387 nan 8.240 nan 0.000 0.430 281 T N 1.221 115.676 114.554 -0.165 0.000 2.896 281 T HA 0.085 4.435 4.350 -0.001 0.000 0.263 281 T C 1.573 176.183 174.700 -0.150 0.000 1.050 281 T CA 0.521 62.474 62.100 -0.244 0.000 1.140 281 T CB -0.492 68.289 68.868 -0.146 0.000 0.877 281 T HN 0.356 nan 8.240 nan 0.000 0.457 282 F N 2.372 122.208 119.950 -0.190 0.000 2.126 282 F HA -0.160 4.368 4.527 0.001 0.000 0.299 282 F C 2.453 178.098 175.800 -0.258 0.000 1.096 282 F CA 1.350 59.222 58.000 -0.214 0.000 1.255 282 F CB -0.024 38.878 39.000 -0.163 0.000 0.997 282 F HN -0.056 nan 8.300 nan 0.000 0.479 283 R N 0.111 120.620 120.500 0.014 0.000 2.148 283 R HA -0.115 4.224 4.340 -0.001 0.000 0.227 283 R C 2.056 178.254 176.300 -0.170 0.000 1.103 283 R CA 1.399 57.435 56.100 -0.106 0.000 0.983 283 R CB -0.256 29.874 30.300 -0.284 0.000 0.874 283 R HN 0.306 nan 8.270 nan 0.000 0.451 284 K N 0.119 120.390 120.400 -0.215 0.000 2.103 284 K HA -0.037 4.282 4.320 -0.001 0.000 0.204 284 K C 1.986 178.433 176.600 -0.254 0.000 1.052 284 K CA 0.908 57.059 56.287 -0.228 0.000 0.945 284 K CB 0.063 32.398 32.500 -0.276 0.000 0.722 284 K HN -0.038 nan 8.250 nan 0.000 0.443 285 V N 1.359 121.057 119.914 -0.360 0.000 2.427 285 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 285 V C 2.280 178.132 176.094 -0.403 0.000 1.051 285 V CA 1.973 63.978 62.300 -0.492 0.000 1.048 285 V CB -0.515 30.763 31.823 -0.907 0.000 0.666 285 V HN 0.343 nan 8.190 nan 0.000 0.456 286 A N 0.017 122.627 122.820 -0.350 0.000 1.933 286 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 286 A C 2.416 179.997 177.584 -0.004 0.000 1.175 286 A CA 2.008 53.961 52.037 -0.140 0.000 0.628 286 A CB -0.688 18.277 19.000 -0.058 0.000 0.814 286 A HN 0.563 nan 8.150 nan 0.000 0.444 287 A N -0.181 122.585 122.820 -0.090 0.000 1.933 287 A HA -0.024 4.295 4.320 -0.001 0.000 0.218 287 A C 2.145 179.667 177.584 -0.102 0.000 1.175 287 A CA 1.432 53.411 52.037 -0.096 0.000 0.628 287 A CB -0.556 18.383 19.000 -0.102 0.000 0.814 287 A HN 0.479 nan 8.150 nan 0.000 0.444 288 L N -0.903 120.258 121.223 -0.103 0.000 2.046 288 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 288 L C 3.109 179.941 176.870 -0.063 0.000 1.077 288 L CA 1.086 55.885 54.840 -0.068 0.000 0.747 288 L CB -0.686 41.343 42.059 -0.050 0.000 0.896 288 L HN 0.451 nan 8.230 nan 0.000 0.432 289 A N -0.046 122.738 122.820 -0.060 0.000 1.902 289 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 289 A C 2.271 179.805 177.584 -0.083 0.000 1.181 289 A CA 1.880 53.911 52.037 -0.010 0.000 0.623 289 A CB -0.512 18.533 19.000 0.074 0.000 0.818 289 A HN 0.468 nan 8.150 nan 0.000 0.443 290 E N -0.184 119.855 120.200 -0.267 0.000 2.077 290 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 290 E C 2.108 178.562 176.600 -0.243 0.000 0.989 290 E CA 0.995 57.082 56.400 -0.522 0.000 0.800 290 E CB -0.260 29.041 29.700 -0.665 0.000 0.746 290 E HN 0.530 nan 8.360 nan 0.000 0.452 291 A N 1.056 123.781 122.820 -0.157 0.000 1.972 291 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 291 A C 1.757 179.298 177.584 -0.071 0.000 1.169 291 A CA 1.293 53.272 52.037 -0.096 0.000 0.635 291 A CB -0.331 18.631 19.000 -0.064 0.000 0.810 291 A HN 0.261 nan 8.150 nan 0.000 0.446 292 N N 0.072 118.733 118.700 -0.065 0.000 2.314 292 N HA 0.010 4.749 4.740 -0.001 0.000 0.200 292 N C 0.085 175.569 175.510 -0.042 0.000 1.135 292 N CA 0.312 53.337 53.050 -0.042 0.000 0.835 292 N CB -0.247 38.224 38.487 -0.027 0.000 0.989 292 N HN 0.588 nan 8.380 nan 0.000 0.478 296 L N 0.126 121.250 121.223 -0.164 0.000 2.470 296 L HA 0.791 5.130 4.340 -0.001 0.000 0.268 296 L C -0.515 176.283 176.870 -0.119 0.000 0.964 296 L CA 0.396 55.101 54.840 -0.225 0.000 0.839 296 L CB 2.000 43.776 42.059 -0.472 0.000 1.276 296 L HN 0.656 nan 8.230 nan 0.000 0.403 297 T N 1.793 116.305 114.554 -0.069 0.000 2.718 297 T HA 0.952 5.301 4.350 -0.001 0.000 0.267 297 T C -0.714 174.063 174.700 0.130 0.000 0.957 297 T CA 0.312 62.453 62.100 0.068 0.000 1.025 297 T CB 1.297 70.199 68.868 0.058 0.000 1.355 297 T HN 0.976 nan 8.240 nan 0.000 0.572 298 S N 0.081 115.926 115.700 0.242 0.000 2.643 298 S HA 0.531 5.000 4.470 -0.001 0.000 0.270 298 S C -1.690 173.110 174.600 0.333 0.000 1.166 298 S CA -0.880 57.496 58.200 0.292 0.000 0.815 298 S CB 1.507 64.913 63.200 0.344 0.000 1.139 298 S HN 1.042 nan 8.310 nan 0.000 0.472 299 H N -0.041 119.160 119.070 0.218 0.000 2.865 299 H HA 0.570 5.125 4.556 -0.001 0.000 0.362 299 H C 0.093 175.534 175.328 0.188 0.000 1.114 299 H CA 0.708 56.875 56.048 0.198 0.000 1.208 299 H CB 1.245 31.132 29.762 0.208 0.000 1.727 299 H HN 1.948 nan 8.280 nan 0.000 0.534 300 G N 1.949 110.488 108.800 -0.435 0.000 2.755 300 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.686 300 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.686 300 G C 0.468 175.296 174.900 -0.119 0.000 1.427 300 G CA 0.090 45.048 45.100 -0.237 0.000 0.873 300 G HN 1.788 nan 8.290 nan 0.000 0.580 301 V N -1.810 117.972 119.914 -0.220 0.000 5.678 301 V HA -0.329 3.790 4.120 -0.001 0.000 0.205 301 V C 1.835 177.828 176.094 -0.167 0.000 0.703 301 V CA 2.759 64.934 62.300 -0.209 0.000 0.545 301 V CB -2.302 29.437 31.823 -0.140 0.000 0.202 301 V HN 2.570 nan 8.190 nan 0.000 0.481 302 H N -0.040 118.889 119.070 -0.236 0.000 2.489 302 H HA -0.105 4.450 4.556 -0.001 0.000 0.293 302 H C 1.442 176.714 175.328 -0.093 0.000 1.066 302 H CA 1.602 57.554 56.048 -0.160 0.000 1.305 302 H CB -0.198 29.455 29.762 -0.182 0.000 1.386 302 H HN 0.690 nan 8.280 nan 0.000 0.551 303 D N 1.135 121.208 120.400 -0.546 0.000 2.144 303 D HA -0.076 4.563 4.640 -0.001 0.000 0.199 303 D C 2.369 178.614 176.300 -0.091 0.000 0.984 303 D CA 0.935 54.747 54.000 -0.313 0.000 0.834 303 D CB 0.267 40.934 40.800 -0.223 0.000 0.955 303 D HN 0.432 nan 8.370 nan 0.000 0.465 304 L N 0.495 121.655 121.223 -0.105 0.000 2.145 304 L HA -0.047 4.292 4.340 -0.001 0.000 0.201 304 L C 2.571 179.503 176.870 0.104 0.000 1.075 304 L CA 0.801 55.632 54.840 -0.015 0.000 0.773 304 L CB -0.543 41.360 42.059 -0.260 0.000 0.936 304 L HN -0.082 nan 8.230 nan 0.000 0.451 305 T N -0.282 114.236 114.554 -0.060 0.000 2.849 305 T HA -0.204 4.145 4.350 -0.001 0.000 0.270 305 T C 1.938 176.619 174.700 -0.031 0.000 1.066 305 T CA 1.256 63.290 62.100 -0.110 0.000 1.130 305 T CB -0.287 68.513 68.868 -0.113 0.000 0.864 305 T HN 0.122 nan 8.240 nan 0.000 0.481 306 V N 1.672 121.573 119.914 -0.021 0.000 2.380 306 V HA -0.288 3.832 4.120 -0.001 0.000 0.251 306 V C 2.367 178.393 176.094 -0.113 0.000 1.063 306 V CA 1.872 64.116 62.300 -0.092 0.000 1.055 306 V CB -0.537 31.180 31.823 -0.176 0.000 0.657 306 V HN 0.634 nan 8.190 nan 0.000 0.455 307 H N -0.262 118.869 119.070 0.101 0.000 2.423 307 H HA -0.010 4.545 4.556 -0.002 0.000 0.297 307 H C 2.303 177.774 175.328 0.238 0.000 1.075 307 H CA 1.532 57.681 56.048 0.168 0.000 1.342 307 H CB -0.300 29.516 29.762 0.091 0.000 1.395 307 H HN 0.588 nan 8.280 nan 0.000 0.530 308 A N 1.235 124.207 122.820 0.253 0.000 1.855 308 A HA -0.080 4.239 4.320 -0.001 0.000 0.215 308 A C 2.576 180.217 177.584 0.096 0.000 1.191 308 A CA 0.877 52.959 52.037 0.076 0.000 0.613 308 A CB -0.854 17.852 19.000 -0.490 0.000 0.829 308 A HN 0.268 nan 8.150 nan 0.000 0.442 309 L N -0.696 120.557 121.223 0.049 0.000 2.362 309 L HA -0.089 4.250 4.340 -0.001 0.000 0.219 309 L C 2.688 179.601 176.870 0.072 0.000 1.134 309 L CA 0.670 55.547 54.840 0.062 0.000 0.807 309 L CB -0.382 41.704 42.059 0.046 0.000 0.927 309 L HN 0.452 nan 8.230 nan 0.000 0.447 310 A N -0.415 122.453 122.820 0.080 0.000 2.208 310 A HA -0.050 4.269 4.320 -0.001 0.000 0.209 310 A C 2.166 179.928 177.584 0.296 0.000 1.161 310 A CA 1.127 53.204 52.037 0.068 0.000 0.782 310 A CB -0.208 18.691 19.000 -0.168 0.000 0.816 310 A HN 0.450 nan 8.150 nan 0.000 0.477 311 S N -0.900 114.989 115.700 0.315 0.000 2.539 311 S HA 0.359 4.828 4.470 -0.001 0.000 0.221 311 S C 0.224 174.960 174.600 0.227 0.000 0.987 311 S CA 0.269 58.684 58.200 0.359 0.000 0.929 311 S CB -0.598 62.837 63.200 0.392 0.000 0.832 311 S HN 0.806 nan 8.310 nan 0.000 0.492 312 V N -1.344 118.639 119.914 0.115 0.000 2.680 312 V HA 0.659 4.778 4.120 -0.001 0.000 0.309 312 V C -2.079 173.815 176.094 -0.333 0.000 1.052 312 V CA -2.223 60.069 62.300 -0.014 0.000 0.908 312 V CB 1.866 33.680 31.823 -0.014 0.000 1.001 312 V HN -0.059 nan 8.190 nan 0.000 0.431 313 P HA -0.073 nan 4.420 nan 0.000 0.225 313 P C 0.684 177.759 177.300 -0.376 0.000 1.156 313 P CA 1.337 63.832 63.100 -1.009 0.000 0.787 313 P CB -0.063 31.293 31.700 -0.574 0.000 0.802 314 H N -0.348 118.542 119.070 -0.300 0.000 2.507 314 H HA 0.295 4.850 4.556 -0.002 0.000 0.294 314 H C 0.290 175.557 175.328 -0.102 0.000 1.064 314 H CA -0.806 55.145 56.048 -0.162 0.000 1.138 314 H CB -0.942 28.748 29.762 -0.120 0.000 1.515 314 H HN 0.042 nan 8.280 nan 0.000 0.547 315 R N -0.042 120.299 120.500 -0.264 0.000 2.641 315 R HA 0.434 4.773 4.340 -0.001 0.000 0.269 315 R C 0.093 176.343 176.300 -0.083 0.000 1.074 315 R CA -0.238 55.750 56.100 -0.187 0.000 1.133 315 R CB 0.279 30.515 30.300 -0.105 0.000 1.029 315 R HN 0.135 nan 8.270 nan 0.000 0.488 316 T N -0.126 114.410 114.554 -0.030 0.000 2.645 316 T HA 0.421 4.770 4.350 -0.001 0.000 0.273 316 T C -0.479 174.260 174.700 0.065 0.000 0.960 316 T CA -0.792 61.294 62.100 -0.024 0.000 1.051 316 T CB 0.135 69.066 68.868 0.105 0.000 1.366 316 T HN 0.379 nan 8.240 nan 0.000 0.536 320 A N 3.183 125.600 122.820 -0.672 0.000 2.454 320 A HA 0.960 5.279 4.320 -0.001 0.000 0.302 320 A C -1.243 176.030 177.584 -0.519 0.000 1.079 320 A CA -0.212 51.345 52.037 -0.801 0.000 0.731 320 A CB 1.194 19.723 19.000 -0.785 0.000 1.299 320 A HN 0.829 nan 8.150 nan 0.000 0.413 326 H N -0.301 118.785 119.070 0.026 0.000 2.421 326 H HA 0.020 4.576 4.556 -0.001 0.000 0.298 326 H C 1.911 177.171 175.328 -0.113 0.000 1.087 326 H CA 0.973 57.001 56.048 -0.034 0.000 1.330 326 H CB 0.401 30.162 29.762 -0.002 0.000 1.388 326 H HN 0.523 nan 8.280 nan 0.000 0.526 327 A N 0.412 123.170 122.820 -0.104 0.000 2.125 327 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 327 A C 0.134 177.364 177.584 -0.591 0.000 1.156 327 A CA 1.008 52.804 52.037 -0.402 0.000 0.671 327 A CB -0.299 18.335 19.000 -0.610 0.000 0.794 327 A HN 0.263 nan 8.150 nan 0.000 0.459 331 E N 2.558 122.729 120.200 -0.048 0.000 2.561 331 E HA 0.397 4.746 4.350 -0.001 0.000 0.225 331 E C -2.228 174.308 176.600 -0.107 0.000 1.035 331 E CA -1.614 54.749 56.400 -0.062 0.000 0.904 331 E CB 0.950 30.637 29.700 -0.022 0.000 1.291 331 E HN 0.554 nan 8.360 nan 0.000 0.444 335 V N 1.863 121.691 119.914 -0.143 0.000 2.406 335 V HA 0.663 4.782 4.120 -0.001 0.000 0.272 335 V C -0.009 175.970 176.094 -0.192 0.000 1.043 335 V CA 0.120 62.265 62.300 -0.258 0.000 0.915 335 V CB 1.168 32.640 31.823 -0.585 0.000 0.988 335 V HN 0.923 nan 8.190 nan 0.000 0.466 336 T N 3.292 117.755 114.554 -0.151 0.000 2.928 336 T HA 0.346 4.695 4.350 -0.001 0.000 0.296 336 T C -0.350 174.300 174.700 -0.083 0.000 1.000 336 T CA -0.526 61.514 62.100 -0.100 0.000 0.989 336 T CB 1.195 70.020 68.868 -0.072 0.000 1.005 336 T HN 0.759 nan 8.240 nan 0.000 0.442 337 D N 2.074 122.440 120.400 -0.058 0.000 2.701 337 D HA -0.202 4.437 4.640 -0.001 0.000 0.235 337 D C 1.286 177.567 176.300 -0.032 0.000 1.155 337 D CA 1.838 55.819 54.000 -0.032 0.000 0.649 337 D CB -1.273 39.512 40.800 -0.026 0.000 1.050 337 D HN 1.352 nan 8.370 nan 0.000 0.425 338 G N -1.826 106.940 108.800 -0.056 0.000 2.148 338 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.254 338 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.254 338 G C 0.413 175.291 174.900 -0.037 0.000 0.981 338 G CA 0.516 45.597 45.100 -0.032 0.000 0.670 338 G HN 0.653 nan 8.290 nan 0.000 0.528 339 C N -1.356 117.891 119.300 -0.088 0.000 3.236 339 C HA 0.890 5.349 4.460 -0.001 0.000 0.312 339 C C 0.365 175.288 174.990 -0.112 0.000 1.374 339 C CA -0.355 58.616 59.018 -0.079 0.000 1.455 339 C CB 1.609 29.309 27.740 -0.067 0.000 1.834 339 C HN 1.172 nan 8.230 nan 0.000 0.460 340 V N -0.814 119.043 119.914 -0.096 0.000 3.001 340 V HA 0.904 5.023 4.120 -0.001 0.000 0.314 340 V C -0.467 175.555 176.094 -0.120 0.000 1.099 340 V CA -0.276 61.970 62.300 -0.090 0.000 0.989 340 V CB 1.817 33.618 31.823 -0.036 0.000 1.040 340 V HN 0.819 nan 8.190 nan 0.000 0.434 341 S N 1.696 117.318 115.700 -0.129 0.000 2.498 341 S HA 0.775 5.245 4.470 -0.001 0.000 0.317 341 S C 0.189 174.660 174.600 -0.216 0.000 1.090 341 S CA -0.094 57.993 58.200 -0.187 0.000 1.089 341 S CB 1.332 64.443 63.200 -0.147 0.000 0.997 341 S HN 1.513 nan 8.310 nan 0.000 0.470 342 A N 5.690 128.291 122.820 -0.365 0.000 2.522 342 A HA 0.407 4.727 4.320 -0.001 0.000 0.256 342 A C -1.932 175.545 177.584 -0.179 0.000 1.086 342 A CA -0.866 50.912 52.037 -0.431 0.000 0.763 342 A CB -0.519 18.012 19.000 -0.781 0.000 1.024 342 A HN 0.515 nan 8.150 nan 0.000 0.502 343 P HA 0.123 nan 4.420 nan 0.000 0.272 343 P C -0.571 176.895 177.300 0.277 0.000 1.223 343 P CA -0.172 62.998 63.100 0.117 0.000 0.784 343 P CB 0.803 32.575 31.700 0.120 0.000 0.923 344 D N 0.998 121.533 120.400 0.226 0.000 2.336 344 D HA 0.083 4.723 4.640 -0.001 0.000 0.228 344 D C 0.762 177.138 176.300 0.127 0.000 1.120 344 D CA 0.232 54.376 54.000 0.239 0.000 0.839 344 D CB 0.107 41.021 40.800 0.190 0.000 0.932 344 D HN 0.266 nan 8.370 nan 0.000 0.509 345 R N 1.044 121.615 120.500 0.119 0.000 2.582 345 R HA 0.252 4.591 4.340 -0.001 0.000 0.271 345 R C -2.344 173.964 176.300 0.013 0.000 1.078 345 R CA -1.415 54.720 56.100 0.059 0.000 1.127 345 R CB 0.058 30.398 30.300 0.068 0.000 1.038 345 R HN -0.136 nan 8.270 nan 0.000 0.500 346 P HA -0.034 nan 4.420 nan 0.000 0.265 346 P C 0.237 177.458 177.300 -0.132 0.000 1.193 346 P CA 1.105 64.155 63.100 -0.083 0.000 0.765 346 P CB 0.689 32.349 31.700 -0.067 0.000 0.823 347 G N 3.006 111.679 108.800 -0.211 0.000 2.512 347 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.240 347 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.240 347 G C 0.833 175.496 174.900 -0.395 0.000 1.246 347 G CA 0.304 45.215 45.100 -0.314 0.000 0.919 347 G HN 0.746 nan 8.290 nan 0.000 0.577 348 H N 0.705 119.640 119.070 -0.224 0.000 2.551 348 H HA 0.324 4.879 4.556 -0.001 0.000 0.266 348 H C 2.080 177.462 175.328 0.089 0.000 0.964 348 H CA 0.792 56.683 56.048 -0.262 0.000 1.180 348 H CB 0.124 29.904 29.762 0.031 0.000 1.408 348 H HN 2.342 nan 8.280 nan 0.000 0.563 349 G N 1.200 110.170 108.800 0.283 0.000 2.162 349 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 349 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 349 G C 0.192 175.288 174.900 0.326 0.000 0.976 349 G CA 0.366 45.631 45.100 0.274 0.000 0.655 349 G HN 0.345 nan 8.290 nan 0.000 0.533 350 V N 0.537 120.778 119.914 0.545 0.000 2.546 350 V HA 0.579 4.698 4.120 -0.001 0.000 0.284 350 V C 0.529 176.794 176.094 0.285 0.000 1.050 350 V CA -0.454 62.007 62.300 0.268 0.000 0.981 350 V CB 1.780 33.632 31.823 0.048 0.000 0.990 350 V HN 0.315 nan 8.190 nan 0.000 0.474 351 V N 6.395 126.408 119.914 0.165 0.000 2.525 351 V HA 0.461 4.581 4.120 -0.001 0.000 0.299 351 V C -0.314 175.819 176.094 0.065 0.000 1.034 351 V CA -0.454 61.937 62.300 0.151 0.000 0.863 351 V CB 1.702 33.596 31.823 0.118 0.000 0.999 351 V HN 0.639 nan 8.190 nan 0.000 0.423 352 L N 3.179 124.422 121.223 0.034 0.000 2.334 352 L HA 0.555 4.894 4.340 -0.001 0.000 0.275 352 L C 0.227 176.995 176.870 -0.171 0.000 1.036 352 L CA -0.522 54.199 54.840 -0.199 0.000 0.807 352 L CB 1.519 43.219 42.059 -0.598 0.000 1.231 352 L HN 0.570 nan 8.230 nan 0.000 0.438 353 D N 1.913 122.215 120.400 -0.164 0.000 2.483 353 D HA 0.060 4.699 4.640 -0.001 0.000 0.220 353 D C 0.722 176.932 176.300 -0.150 0.000 1.173 353 D CA -0.094 53.871 54.000 -0.058 0.000 0.964 353 D CB 0.424 41.225 40.800 0.002 0.000 1.046 353 D HN 0.306 nan 8.370 nan 0.000 0.517 354 F N 1.602 121.528 119.950 -0.041 0.000 2.451 354 F HA -0.063 4.463 4.527 -0.001 0.000 0.299 354 F C 2.194 177.979 175.800 -0.024 0.000 1.101 354 F CA 0.668 58.628 58.000 -0.068 0.000 1.436 354 F CB 0.198 39.199 39.000 0.001 0.000 1.074 354 F HN 0.384 nan 8.300 nan 0.000 0.553 355 E N -0.185 120.098 120.200 0.139 0.000 2.046 355 E HA -0.188 4.161 4.350 -0.001 0.000 0.190 355 E C 2.260 178.900 176.600 0.066 0.000 0.982 355 E CA 0.727 57.189 56.400 0.104 0.000 0.800 355 E CB -0.193 29.557 29.700 0.083 0.000 0.756 355 E HN 0.327 nan 8.360 nan 0.000 0.449 356 R N 0.912 121.439 120.500 0.044 0.000 2.075 356 R HA -0.073 4.266 4.340 -0.001 0.000 0.232 356 R C 2.373 178.670 176.300 -0.006 0.000 1.126 356 R CA 0.787 56.926 56.100 0.066 0.000 0.963 356 R CB -0.095 30.288 30.300 0.139 0.000 0.858 356 R HN 0.126 nan 8.270 nan 0.000 0.435 357 L N -0.373 120.730 121.223 -0.200 0.000 2.141 357 L HA -0.056 4.283 4.340 -0.001 0.000 0.209 357 L C 2.481 179.291 176.870 -0.099 0.000 1.094 357 L CA 1.167 55.696 54.840 -0.518 0.000 0.763 357 L CB -0.665 40.683 42.059 -1.185 0.000 0.908 357 L HN 0.454 nan 8.230 nan 0.000 0.437 358 G N 0.110 108.965 108.800 0.093 0.000 2.507 358 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.221 358 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.221 358 G C 1.707 176.706 174.900 0.165 0.000 1.119 358 G CA 0.921 46.168 45.100 0.245 0.000 0.751 358 G HN 0.360 nan 8.290 nan 0.000 0.574 359 R N 0.154 120.711 120.500 0.095 0.000 2.152 359 R HA 0.073 4.413 4.340 -0.001 0.000 0.232 359 R C 1.616 177.956 176.300 0.067 0.000 1.117 359 R CA 0.915 57.057 56.100 0.069 0.000 0.981 359 R CB -0.252 30.082 30.300 0.057 0.000 0.870 359 R HN 0.432 nan 8.270 nan 0.000 0.451 360 L N 0.864 122.138 121.223 0.085 0.000 2.667 360 L HA 0.364 4.703 4.340 -0.001 0.000 0.232 360 L C 0.571 177.526 176.870 0.142 0.000 1.138 360 L CA -0.487 54.398 54.840 0.075 0.000 0.921 360 L CB 0.481 42.533 42.059 -0.011 0.000 1.180 360 L HN 0.077 nan 8.230 nan 0.000 0.487 361 A N 1.147 124.072 122.820 0.175 0.000 2.498 361 A HA 0.398 4.717 4.320 -0.001 0.000 0.239 361 A C 0.272 177.821 177.584 -0.058 0.000 1.068 361 A CA -0.064 51.961 52.037 -0.022 0.000 0.766 361 A CB 0.382 19.368 19.000 -0.022 0.000 1.003 361 A HN 0.129 nan 8.150 nan 0.000 0.497 362 V N 0.000 119.841 119.914 -0.122 0.000 2.409 362 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 362 V CA 0.000 62.257 62.300 -0.072 0.000 1.235 362 V CB 0.000 31.786 31.823 -0.061 0.000 1.184 362 V HN 0.000 nan 8.190 nan 0.000 0.556