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 1jpv_1_B DATA FIRST_RESID 3 DATA SEQUENCE PVHILAKKGE VAERVLVVGD PGRARLLSTL LQNPKLTNEN RGFLVYTGKY DATA SEQUENCE NGETVSIATH GIGGPSIAIV LEELAMLGAN VFIRYGTTGA LVPYINLGEY DATA SEQUENCE IIVTGASYNQ GGLFYQYLRD NACVASTPDF ELTNKLVTSF SKRNLKYYVG DATA SEQUENCE NVFSSDAFYA EDEEFVKKWS SRGNIAVEME CATLFTLSKV KGWKSATVLV DATA SEQUENCE VSDNLAKGGI WITKEELEKS VMDGAKAVLD TLTS 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 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.304 177.300 0.006 0.000 1.155 3 P CA 0.000 63.120 63.100 0.033 0.000 0.800 3 P CB 0.000 31.720 31.700 0.034 0.000 0.726 4 V N -2.281 117.623 119.914 -0.016 0.000 3.650 4 V HA 0.120 4.240 4.120 0.000 0.000 0.271 4 V C 0.918 176.841 176.094 -0.285 0.000 1.281 4 V CA 1.208 63.412 62.300 -0.160 0.000 1.120 4 V CB -0.708 30.968 31.823 -0.244 0.000 0.856 4 V HN 0.605 nan 8.190 nan 0.000 0.443 5 H N 0.191 119.274 119.070 0.021 0.000 2.393 5 H HA 0.466 5.022 4.556 0.000 0.000 0.301 5 H C 0.630 175.999 175.328 0.068 0.000 1.019 5 H CA 0.313 56.399 56.048 0.063 0.000 1.311 5 H CB 0.321 30.101 29.762 0.031 0.000 1.475 5 H HN 0.216 nan 8.280 nan 0.000 0.572 6 I N 3.078 123.724 120.570 0.127 0.000 2.291 6 I HA 0.026 4.196 4.170 0.000 0.000 0.292 6 I C 0.190 176.330 176.117 0.038 0.000 1.064 6 I CA 0.400 61.739 61.300 0.064 0.000 1.269 6 I CB 0.433 38.431 38.000 -0.004 0.000 1.418 6 I HN 0.351 nan 8.210 nan 0.000 0.485 7 L N 5.397 126.640 121.223 0.034 0.000 2.688 7 L HA 0.285 4.625 4.340 0.000 0.000 0.234 7 L C 1.304 178.174 176.870 0.001 0.000 1.192 7 L CA -0.212 54.635 54.840 0.012 0.000 0.984 7 L CB -0.365 41.698 42.059 0.007 0.000 1.232 7 L HN 0.605 nan 8.230 nan 0.000 0.465 8 A N 0.562 123.381 122.820 -0.001 0.000 2.466 8 A HA 0.249 4.570 4.320 0.000 0.000 0.238 8 A C 0.442 178.022 177.584 -0.007 0.000 1.074 8 A CA -0.135 51.896 52.037 -0.010 0.000 0.774 8 A CB 0.348 19.340 19.000 -0.014 0.000 1.015 8 A HN 0.107 nan 8.150 nan 0.000 0.498 9 K N 1.315 121.710 120.400 -0.009 0.000 2.237 9 K HA 0.142 4.462 4.320 0.000 0.000 0.270 9 K C 0.189 176.786 176.600 -0.006 0.000 1.015 9 K CA -0.276 56.007 56.287 -0.006 0.000 0.949 9 K CB 0.723 33.219 32.500 -0.006 0.000 0.976 9 K HN 0.713 nan 8.250 nan 0.000 0.472 10 K N -0.036 120.362 120.400 -0.003 0.000 2.448 10 K HA 0.054 4.374 4.320 0.000 0.000 0.278 10 K C 0.773 177.370 176.600 -0.005 0.000 1.009 10 K CA 1.252 57.537 56.287 -0.003 0.000 0.995 10 K CB 0.100 32.600 32.500 0.000 0.000 0.917 10 K HN 0.773 nan 8.250 nan 0.000 0.481 11 G N 2.947 111.743 108.800 -0.007 0.000 2.175 11 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 11 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 11 G C 0.497 175.392 174.900 -0.008 0.000 0.982 11 G CA 0.391 45.486 45.100 -0.007 0.000 0.641 11 G HN 0.762 nan 8.290 nan 0.000 0.527 12 E N -0.708 119.487 120.200 -0.009 0.000 2.476 12 E HA 0.326 4.676 4.350 0.000 0.000 0.199 12 E C 0.174 176.768 176.600 -0.010 0.000 1.021 12 E CA 0.198 56.593 56.400 -0.008 0.000 0.907 12 E CB 0.946 30.639 29.700 -0.010 0.000 0.974 12 E HN 0.314 nan 8.360 nan 0.000 0.489 13 V N 1.521 121.425 119.914 -0.016 0.000 2.495 13 V HA 0.439 4.559 4.120 0.000 0.000 0.298 13 V C 0.074 176.145 176.094 -0.039 0.000 1.031 13 V CA -0.762 61.524 62.300 -0.024 0.000 0.871 13 V CB 1.470 33.277 31.823 -0.027 0.000 0.988 13 V HN 0.123 nan 8.190 nan 0.000 0.432 14 A N 3.227 126.021 122.820 -0.045 0.000 2.313 14 A HA 0.405 4.725 4.320 0.000 0.000 0.261 14 A C 1.010 178.525 177.584 -0.115 0.000 1.090 14 A CA -0.129 51.870 52.037 -0.062 0.000 0.807 14 A CB 0.248 19.219 19.000 -0.049 0.000 1.055 14 A HN 0.926 nan 8.150 nan 0.000 0.492 15 E N -0.089 120.040 120.200 -0.119 0.000 2.152 15 E HA -0.090 4.260 4.350 0.000 0.000 0.192 15 E C 0.056 176.502 176.600 -0.257 0.000 0.983 15 E CA 0.733 57.029 56.400 -0.173 0.000 0.818 15 E CB 0.066 29.696 29.700 -0.117 0.000 0.758 15 E HN 0.533 nan 8.360 nan 0.000 0.467 16 R N 0.785 121.173 120.500 -0.188 0.000 2.229 16 R HA 0.347 4.687 4.340 0.000 0.000 0.328 16 R C -1.035 175.158 176.300 -0.178 0.000 1.009 16 R CA -0.298 55.687 56.100 -0.191 0.000 0.864 16 R CB 1.786 32.019 30.300 -0.112 0.000 1.085 16 R HN -0.158 nan 8.270 nan 0.000 0.453 17 V N 4.691 124.475 119.914 -0.216 0.000 2.638 17 V HA 0.324 4.444 4.120 0.000 0.000 0.306 17 V C -0.621 175.482 176.094 0.015 0.000 1.052 17 V CA -0.895 61.350 62.300 -0.092 0.000 0.885 17 V CB 2.119 33.902 31.823 -0.067 0.000 0.999 17 V HN 0.632 nan 8.190 nan 0.000 0.424 18 L N 6.513 127.757 121.223 0.035 0.000 2.272 18 L HA 0.775 5.115 4.340 0.000 0.000 0.289 18 L C -0.422 176.524 176.870 0.127 0.000 1.032 18 L CA -0.510 54.371 54.840 0.069 0.000 0.810 18 L CB 1.381 43.443 42.059 0.004 0.000 1.205 18 L HN 0.674 nan 8.230 nan 0.000 0.422 19 V N 4.351 124.377 119.914 0.187 0.000 2.513 19 V HA 0.811 4.931 4.120 0.000 0.000 0.299 19 V C -0.380 175.811 176.094 0.162 0.000 1.035 19 V CA -0.487 61.934 62.300 0.200 0.000 0.889 19 V CB 1.497 33.498 31.823 0.297 0.000 0.988 19 V HN 0.595 nan 8.190 nan 0.000 0.440 20 V N 1.593 121.477 119.914 -0.051 0.000 2.962 20 V HA 0.889 5.009 4.120 0.000 0.000 0.313 20 V C 0.958 176.626 176.094 -0.709 0.000 1.099 20 V CA 0.232 62.403 62.300 -0.214 0.000 0.971 20 V CB 1.433 33.233 31.823 -0.038 0.000 1.028 20 V HN 1.037 nan 8.190 nan 0.000 0.430 21 G N 0.998 109.358 108.800 -0.733 0.000 2.403 21 G HA2 -0.067 3.893 3.960 0.000 0.000 0.216 21 G HA3 -0.067 3.893 3.960 0.000 0.000 0.216 21 G C 0.380 175.155 174.900 -0.209 0.000 1.154 21 G CA 0.929 45.684 45.100 -0.575 0.000 0.784 21 G HN 0.853 nan 8.290 nan 0.000 0.538 22 D N 0.131 120.446 120.400 -0.141 0.000 2.316 22 D HA 0.305 4.945 4.640 0.000 0.000 0.245 22 D C -1.431 174.845 176.300 -0.040 0.000 1.171 22 D CA -2.473 51.482 54.000 -0.075 0.000 0.856 22 D CB 1.873 42.637 40.800 -0.061 0.000 1.090 22 D HN -0.064 nan 8.370 nan 0.000 0.476 23 P HA -0.053 nan 4.420 nan 0.000 0.216 23 P C 1.287 178.612 177.300 0.043 0.000 1.150 23 P CA 1.120 64.233 63.100 0.022 0.000 0.837 23 P CB 0.236 31.929 31.700 -0.011 0.000 0.786 24 G N -0.061 108.745 108.800 0.009 0.000 2.418 24 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 24 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 24 G C 1.738 176.640 174.900 0.004 0.000 1.158 24 G CA 0.603 45.708 45.100 0.008 0.000 0.771 24 G HN 0.233 nan 8.290 nan 0.000 0.545 25 R N 0.528 121.027 120.500 -0.002 0.000 2.115 25 R HA 0.106 4.447 4.340 0.000 0.000 0.230 25 R C 2.794 179.101 176.300 0.011 0.000 1.111 25 R CA 1.296 57.397 56.100 0.002 0.000 0.976 25 R CB -0.322 29.974 30.300 -0.007 0.000 0.870 25 R HN 0.278 nan 8.270 nan 0.000 0.445 26 A N 1.408 124.249 122.820 0.036 0.000 1.902 26 A HA -0.192 4.128 4.320 0.000 0.000 0.217 26 A C 2.201 179.743 177.584 -0.070 0.000 1.181 26 A CA 1.428 53.507 52.037 0.069 0.000 0.623 26 A CB -0.603 18.512 19.000 0.190 0.000 0.818 26 A HN 0.415 nan 8.150 nan 0.000 0.443 27 R N -0.745 119.731 120.500 -0.039 0.000 2.073 27 R HA -0.134 4.206 4.340 0.000 0.000 0.234 27 R C 2.042 178.183 176.300 -0.266 0.000 1.134 27 R CA 1.798 57.746 56.100 -0.253 0.000 0.952 27 R CB -0.454 29.849 30.300 0.005 0.000 0.850 27 R HN 0.412 nan 8.270 nan 0.000 0.433 28 L N 1.089 122.242 121.223 -0.117 0.000 2.083 28 L HA -0.091 4.249 4.340 0.000 0.000 0.209 28 L C 1.977 178.797 176.870 -0.084 0.000 1.083 28 L CA 1.583 56.376 54.840 -0.079 0.000 0.752 28 L CB -0.151 41.893 42.059 -0.026 0.000 0.899 28 L HN 0.247 nan 8.230 nan 0.000 0.433 29 L N -0.984 120.190 121.223 -0.080 0.000 2.418 29 L HA -0.031 4.309 4.340 0.000 0.000 0.218 29 L C 2.436 179.241 176.870 -0.109 0.000 1.125 29 L CA 0.849 55.656 54.840 -0.054 0.000 0.835 29 L CB -0.662 41.400 42.059 0.004 0.000 0.953 29 L HN 0.428 nan 8.230 nan 0.000 0.454 30 S N -2.038 113.514 115.700 -0.246 0.000 2.474 30 S HA -0.183 4.287 4.470 0.000 0.000 0.235 30 S C 1.862 176.367 174.600 -0.159 0.000 0.997 30 S CA 1.380 59.404 58.200 -0.293 0.000 0.949 30 S CB -0.535 62.177 63.200 -0.813 0.000 0.766 30 S HN 0.335 nan 8.310 nan 0.000 0.517 31 T N 0.929 115.404 114.554 -0.132 0.000 3.163 31 T HA 0.280 4.630 4.350 0.000 0.000 0.260 31 T C 1.138 175.830 174.700 -0.013 0.000 1.156 31 T CA 0.371 62.433 62.100 -0.064 0.000 1.072 31 T CB -0.585 68.249 68.868 -0.056 0.000 0.937 31 T HN 0.465 nan 8.240 nan 0.000 0.528 32 L N 0.149 121.375 121.223 0.005 0.000 2.529 32 L HA 0.378 4.718 4.340 0.000 0.000 0.223 32 L C 0.610 177.575 176.870 0.157 0.000 1.113 32 L CA 0.091 54.978 54.840 0.078 0.000 0.861 32 L CB 0.053 42.154 42.059 0.070 0.000 1.012 32 L HN 0.209 nan 8.230 nan 0.000 0.461 33 L N -0.437 120.845 121.223 0.098 0.000 2.416 33 L HA 0.272 4.612 4.340 0.000 0.000 0.262 33 L C -0.012 176.901 176.870 0.071 0.000 1.093 33 L CA -0.559 54.359 54.840 0.131 0.000 0.801 33 L CB 0.646 42.758 42.059 0.087 0.000 1.191 33 L HN 0.049 nan 8.230 nan 0.000 0.459 34 Q N 0.923 120.758 119.800 0.060 0.000 2.256 34 Q HA 0.157 4.497 4.340 0.000 0.000 0.254 34 Q C -0.162 175.857 176.000 0.031 0.000 0.916 34 Q CA -0.315 55.502 55.803 0.023 0.000 0.932 34 Q CB 0.968 29.706 28.738 -0.000 0.000 1.207 34 Q HN 0.573 nan 8.270 nan 0.000 0.426 35 N N 1.722 120.437 118.700 0.024 0.000 2.714 35 N HA -0.134 4.606 4.740 0.000 0.000 0.253 35 N C -2.437 173.103 175.510 0.049 0.000 1.024 35 N CA -0.674 52.394 53.050 0.030 0.000 0.726 35 N CB -0.171 38.330 38.487 0.023 0.000 0.908 35 N HN 0.332 nan 8.380 nan 0.000 0.542 36 P HA 0.111 nan 4.420 nan 0.000 0.267 36 P C -0.611 176.771 177.300 0.136 0.000 1.205 36 P CA 0.506 63.667 63.100 0.102 0.000 0.765 36 P CB 0.683 32.427 31.700 0.073 0.000 0.828 37 K N 2.577 123.069 120.400 0.153 0.000 2.378 37 K HA 0.400 4.720 4.320 0.000 0.000 0.252 37 K C -0.849 175.807 176.600 0.093 0.000 0.931 37 K CA -1.088 55.267 56.287 0.113 0.000 0.794 37 K CB 1.982 34.515 32.500 0.055 0.000 1.181 37 K HN 0.303 nan 8.250 nan 0.000 0.425 38 L N 3.391 124.619 121.223 0.007 0.000 2.342 38 L HA 0.168 4.508 4.340 0.000 0.000 0.285 38 L C 0.972 177.748 176.870 -0.157 0.000 1.095 38 L CA 0.565 55.255 54.840 -0.249 0.000 0.843 38 L CB 0.370 42.278 42.059 -0.252 0.000 1.201 38 L HN 0.782 nan 8.230 nan 0.000 0.445 39 T N 0.658 115.118 114.554 -0.157 0.000 3.086 39 T HA 0.208 4.558 4.350 0.000 0.000 0.250 39 T C 0.616 175.267 174.700 -0.081 0.000 1.074 39 T CA -0.164 61.886 62.100 -0.084 0.000 0.988 39 T CB -0.360 68.480 68.868 -0.047 0.000 0.988 39 T HN 0.586 nan 8.240 nan 0.000 0.530 40 N N -0.063 118.562 118.700 -0.124 0.000 2.516 40 N HA 0.122 4.862 4.740 0.000 0.000 0.268 40 N C -0.797 174.659 175.510 -0.089 0.000 1.096 40 N CA -0.268 52.739 53.050 -0.072 0.000 0.954 40 N CB 2.393 40.868 38.487 -0.019 0.000 1.676 40 N HN 0.179 nan 8.380 nan 0.000 0.490 41 E N 1.629 121.802 120.200 -0.044 0.000 2.536 41 E HA 0.079 4.429 4.350 0.000 0.000 0.220 41 E C -0.321 176.278 176.600 -0.002 0.000 0.876 41 E CA -0.202 56.174 56.400 -0.040 0.000 1.190 41 E CB 0.409 30.080 29.700 -0.047 0.000 1.191 41 E HN 0.563 nan 8.360 nan 0.000 0.557 42 N N 1.470 120.187 118.700 0.027 0.000 2.356 42 N HA -0.106 4.634 4.740 0.000 0.000 0.252 42 N C -0.282 175.278 175.510 0.084 0.000 1.241 42 N CA 0.861 53.941 53.050 0.049 0.000 0.861 42 N CB 0.270 38.794 38.487 0.062 0.000 1.075 42 N HN 0.110 nan 8.380 nan 0.000 0.461 43 R N 1.925 122.441 120.500 0.026 0.000 3.946 43 R HA -0.242 4.098 4.340 0.000 0.000 0.329 43 R C 0.964 177.096 176.300 -0.281 0.000 1.209 43 R CA 0.808 56.879 56.100 -0.048 0.000 0.909 43 R CB -2.106 28.273 30.300 0.131 0.000 1.355 43 R HN 1.008 nan 8.270 nan 0.000 0.539 44 G N -0.676 108.013 108.800 -0.185 0.000 2.179 44 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 44 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 44 G C 0.208 174.967 174.900 -0.236 0.000 0.977 44 G CA 0.309 45.269 45.100 -0.234 0.000 0.641 44 G HN 0.362 nan 8.290 nan 0.000 0.533 45 F N 2.305 122.254 119.950 -0.001 0.000 2.662 45 F HA 0.404 4.931 4.527 0.000 0.000 0.365 45 F C 1.451 177.234 175.800 -0.029 0.000 1.222 45 F CA -0.599 57.398 58.000 -0.005 0.000 1.315 45 F CB -0.015 38.992 39.000 0.012 0.000 1.711 45 F HN 0.022 nan 8.300 nan 0.000 0.651 46 L N 2.244 123.523 121.223 0.092 0.000 2.559 46 L HA 0.070 4.410 4.340 0.000 0.000 0.274 46 L C -0.043 176.819 176.870 -0.014 0.000 1.205 46 L CA -0.104 54.726 54.840 -0.017 0.000 0.907 46 L CB -0.074 42.011 42.059 0.044 0.000 1.153 46 L HN 0.073 nan 8.230 nan 0.000 0.490 47 V N 4.183 123.992 119.914 -0.174 0.000 2.531 47 V HA 0.426 4.546 4.120 0.000 0.000 0.301 47 V C -0.769 175.164 176.094 -0.269 0.000 1.034 47 V CA -0.612 61.634 62.300 -0.091 0.000 0.865 47 V CB 1.762 33.564 31.823 -0.035 0.000 0.995 47 V HN 0.397 nan 8.190 nan 0.000 0.424 48 Y N 1.549 121.865 120.300 0.026 0.000 2.429 48 Y HA 0.726 5.276 4.550 0.000 0.000 0.342 48 Y C 0.507 176.414 175.900 0.013 0.000 1.004 48 Y CA -0.628 57.483 58.100 0.019 0.000 1.075 48 Y CB 2.567 41.038 38.460 0.020 0.000 1.214 48 Y HN 0.531 nan 8.280 nan 0.000 0.455 49 T N 1.559 116.205 114.554 0.153 0.000 2.886 49 T HA 0.785 5.135 4.350 0.000 0.000 0.292 49 T C -0.156 174.597 174.700 0.089 0.000 1.012 49 T CA -0.664 61.489 62.100 0.089 0.000 0.982 49 T CB 1.728 70.621 68.868 0.041 0.000 1.018 49 T HN 0.984 nan 8.240 nan 0.000 0.451 50 G N 1.799 110.641 108.800 0.071 0.000 2.578 50 G HA2 0.620 4.580 3.960 0.000 0.000 0.302 50 G HA3 0.620 4.580 3.960 0.000 0.000 0.302 50 G C -1.881 173.056 174.900 0.062 0.000 1.243 50 G CA -0.782 44.357 45.100 0.066 0.000 0.843 50 G HN 0.578 nan 8.290 nan 0.000 0.486 51 K N -0.963 119.478 120.400 0.069 0.000 2.281 51 K HA 0.667 4.987 4.320 0.000 0.000 0.242 51 K C -2.012 174.674 176.600 0.142 0.000 0.971 51 K CA -0.820 55.513 56.287 0.077 0.000 0.834 51 K CB 2.809 35.330 32.500 0.036 0.000 1.181 51 K HN 0.558 nan 8.250 nan 0.000 0.435 52 Y N 0.832 121.119 120.300 -0.022 0.000 2.376 52 Y HA 0.077 4.627 4.550 0.000 0.000 0.321 52 Y C -0.980 174.901 175.900 -0.032 0.000 1.189 52 Y CA -0.646 57.436 58.100 -0.030 0.000 1.069 52 Y CB 1.142 39.581 38.460 -0.035 0.000 1.292 52 Y HN 0.768 nan 8.280 nan 0.000 0.430 53 N N 3.891 122.446 118.700 -0.243 0.000 2.710 53 N HA -0.194 4.546 4.740 0.000 0.000 0.249 53 N C 0.751 176.247 175.510 -0.023 0.000 1.059 53 N CA 2.148 55.128 53.050 -0.116 0.000 0.720 53 N CB -1.095 37.401 38.487 0.015 0.000 0.983 53 N HN 1.545 nan 8.380 nan 0.000 0.544 54 G N -1.652 107.130 108.800 -0.029 0.000 2.160 54 G HA2 -0.308 3.652 3.960 0.000 0.000 0.251 54 G HA3 -0.308 3.652 3.960 0.000 0.000 0.251 54 G C -0.183 174.723 174.900 0.010 0.000 1.008 54 G CA 0.701 45.794 45.100 -0.011 0.000 0.724 54 G HN 0.591 nan 8.290 nan 0.000 0.514 55 E N -0.450 119.770 120.200 0.034 0.000 2.340 55 E HA 0.644 4.994 4.350 0.000 0.000 0.273 55 E C 0.062 176.685 176.600 0.039 0.000 0.891 55 E CA -0.329 56.090 56.400 0.031 0.000 0.757 55 E CB 1.189 30.909 29.700 0.033 0.000 1.231 55 E HN 0.080 nan 8.360 nan 0.000 0.439 56 T N 1.632 116.197 114.554 0.018 0.000 2.901 56 T HA 0.483 4.833 4.350 0.000 0.000 0.301 56 T C -0.572 174.133 174.700 0.007 0.000 1.012 56 T CA -0.261 61.849 62.100 0.016 0.000 1.135 56 T CB 0.367 69.236 68.868 0.002 0.000 0.936 56 T HN 0.208 nan 8.240 nan 0.000 0.539 57 V N 2.171 122.094 119.914 0.015 0.000 2.971 57 V HA 0.598 4.718 4.120 0.000 0.000 0.309 57 V C -0.375 175.722 176.094 0.006 0.000 1.130 57 V CA -0.965 61.331 62.300 -0.008 0.000 0.964 57 V CB 2.677 34.490 31.823 -0.017 0.000 1.029 57 V HN 0.884 nan 8.190 nan 0.000 0.427 58 S N 2.685 118.381 115.700 -0.007 0.000 2.536 58 S HA 0.785 5.255 4.470 0.000 0.000 0.298 58 S C -0.807 173.818 174.600 0.043 0.000 1.083 58 S CA -0.512 57.705 58.200 0.028 0.000 0.995 58 S CB 1.682 64.890 63.200 0.013 0.000 1.058 58 S HN 0.548 nan 8.310 nan 0.000 0.488 59 I N 2.196 122.825 120.570 0.098 0.000 2.410 59 I HA 0.621 4.791 4.170 0.000 0.000 0.286 59 I C -0.190 176.021 176.117 0.157 0.000 1.009 59 I CA -0.484 60.885 61.300 0.114 0.000 1.111 59 I CB 1.469 39.535 38.000 0.110 0.000 1.262 59 I HN 0.667 nan 8.210 nan 0.000 0.443 60 A N 4.099 126.994 122.820 0.125 0.000 2.380 60 A HA 0.824 5.144 4.320 0.000 0.000 0.315 60 A C -0.358 177.287 177.584 0.101 0.000 1.101 60 A CA -0.536 51.571 52.037 0.116 0.000 0.771 60 A CB 1.440 20.494 19.000 0.090 0.000 1.287 60 A HN 0.555 nan 8.150 nan 0.000 0.436 61 T N 1.862 116.492 114.554 0.127 0.000 2.806 61 T HA 0.378 4.728 4.350 0.000 0.000 0.290 61 T C 0.851 175.688 174.700 0.228 0.000 0.966 61 T CA 0.012 62.184 62.100 0.122 0.000 1.060 61 T CB 0.189 69.169 68.868 0.187 0.000 0.927 61 T HN 0.769 nan 8.240 nan 0.000 0.485 62 H N 1.090 120.271 119.070 0.184 0.000 2.755 62 H HA 0.440 4.996 4.556 0.000 0.000 0.273 62 H C 0.976 176.464 175.328 0.268 0.000 1.055 62 H CA -0.325 55.789 56.048 0.110 0.000 1.191 62 H CB 0.108 29.853 29.762 -0.029 0.000 1.536 62 H HN 0.867 nan 8.280 nan 0.000 0.529 63 G N 1.847 110.882 108.800 0.392 0.000 2.697 63 G HA2 -0.272 3.688 3.960 0.000 0.000 0.240 63 G HA3 -0.272 3.688 3.960 0.000 0.000 0.240 63 G C -0.548 174.518 174.900 0.277 0.000 1.346 63 G CA -0.046 45.229 45.100 0.292 0.000 0.887 63 G HN 0.333 nan 8.290 nan 0.000 0.569 64 I N 1.745 122.403 120.570 0.147 0.000 2.412 64 I HA 0.611 4.781 4.170 0.000 0.000 0.296 64 I C 0.917 177.068 176.117 0.057 0.000 0.987 64 I CA 0.369 61.726 61.300 0.095 0.000 1.180 64 I CB 1.142 39.159 38.000 0.028 0.000 1.340 64 I HN 2.097 nan 8.210 nan 0.000 0.455 65 G N 3.516 112.325 108.800 0.015 0.000 2.690 65 G HA2 -0.086 3.874 3.960 0.000 0.000 0.686 65 G HA3 -0.086 3.874 3.960 0.000 0.000 0.686 65 G C 0.536 175.389 174.900 -0.079 0.000 1.277 65 G CA -0.428 44.657 45.100 -0.025 0.000 0.799 65 G HN 0.986 nan 8.290 nan 0.000 0.613 66 G N 0.504 109.244 108.800 -0.099 0.000 2.446 66 G HA2 0.036 3.996 3.960 0.000 0.000 0.217 66 G HA3 0.036 3.996 3.960 0.000 0.000 0.217 66 G C 0.146 174.960 174.900 -0.144 0.000 1.168 66 G CA 2.080 47.085 45.100 -0.158 0.000 0.771 66 G HN 0.699 nan 8.290 nan 0.000 0.551 67 P HA -0.088 nan 4.420 nan 0.000 0.215 67 P C 2.290 179.542 177.300 -0.080 0.000 1.153 67 P CA 1.774 64.832 63.100 -0.071 0.000 0.853 67 P CB -0.047 31.632 31.700 -0.035 0.000 0.788 68 S N -1.119 114.550 115.700 -0.051 0.000 2.345 68 S HA -0.118 4.352 4.470 0.000 0.000 0.220 68 S C 1.879 176.406 174.600 -0.121 0.000 1.031 68 S CA 0.797 58.982 58.200 -0.025 0.000 0.996 68 S CB -0.995 62.274 63.200 0.115 0.000 0.882 68 S HN -0.014 nan 8.310 nan 0.000 0.445 69 I N 1.136 121.620 120.570 -0.144 0.000 2.361 69 I HA -0.117 4.053 4.170 0.000 0.000 0.251 69 I C 2.349 178.316 176.117 -0.251 0.000 1.133 69 I CA 1.171 62.325 61.300 -0.244 0.000 1.413 69 I CB -0.447 37.292 38.000 -0.435 0.000 1.073 69 I HN 0.414 nan 8.210 nan 0.000 0.424 70 A N 1.030 123.732 122.820 -0.197 0.000 1.902 70 A HA -0.199 4.121 4.320 0.000 0.000 0.217 70 A C 2.221 179.737 177.584 -0.112 0.000 1.181 70 A CA 1.675 53.632 52.037 -0.132 0.000 0.623 70 A CB -0.820 18.154 19.000 -0.044 0.000 0.818 70 A HN 0.498 nan 8.150 nan 0.000 0.443 71 I N -0.493 119.974 120.570 -0.171 0.000 2.142 71 I HA -0.226 3.944 4.170 0.000 0.000 0.240 71 I C 2.380 178.328 176.117 -0.281 0.000 1.078 71 I CA 1.300 62.461 61.300 -0.232 0.000 1.343 71 I CB -0.286 37.466 38.000 -0.413 0.000 1.046 71 I HN 0.165 nan 8.210 nan 0.000 0.405 72 V N 1.001 120.683 119.914 -0.388 0.000 2.343 72 V HA -0.277 3.843 4.120 0.000 0.000 0.247 72 V C 2.346 178.253 176.094 -0.312 0.000 1.051 72 V CA 1.679 63.734 62.300 -0.408 0.000 1.036 72 V CB -0.502 31.043 31.823 -0.464 0.000 0.654 72 V HN 0.359 nan 8.190 nan 0.000 0.451 73 L N -0.571 120.429 121.223 -0.372 0.000 2.056 73 L HA -0.135 4.205 4.340 0.000 0.000 0.207 73 L C 2.739 179.312 176.870 -0.494 0.000 1.078 73 L CA 1.464 55.922 54.840 -0.638 0.000 0.749 73 L CB -0.665 40.965 42.059 -0.715 0.000 0.901 73 L HN 0.325 nan 8.230 nan 0.000 0.433 74 E N 0.277 120.390 120.200 -0.144 0.000 2.077 74 E HA -0.236 4.114 4.350 0.000 0.000 0.193 74 E C 2.041 178.646 176.600 0.009 0.000 0.989 74 E CA 1.368 57.814 56.400 0.077 0.000 0.800 74 E CB -0.093 29.696 29.700 0.148 0.000 0.746 74 E HN 0.601 nan 8.360 nan 0.000 0.452 75 E N 0.496 120.667 120.200 -0.049 0.000 2.107 75 E HA -0.071 4.279 4.350 0.000 0.000 0.191 75 E C 2.350 178.928 176.600 -0.036 0.000 0.982 75 E CA 0.371 56.757 56.400 -0.024 0.000 0.809 75 E CB -0.027 29.658 29.700 -0.025 0.000 0.756 75 E HN 0.198 nan 8.360 nan 0.000 0.459 76 L N 0.673 121.852 121.223 -0.073 0.000 2.093 76 L HA -0.135 4.205 4.340 0.000 0.000 0.208 76 L C 2.586 179.438 176.870 -0.030 0.000 1.085 76 L CA 0.876 55.700 54.840 -0.026 0.000 0.755 76 L CB -0.427 41.667 42.059 0.058 0.000 0.904 76 L HN 0.134 nan 8.230 nan 0.000 0.435 77 A N -0.157 122.615 122.820 -0.080 0.000 1.930 77 A HA -0.198 4.122 4.320 0.000 0.000 0.217 77 A C 2.262 179.863 177.584 0.030 0.000 1.175 77 A CA 1.511 53.498 52.037 -0.083 0.000 0.627 77 A CB -0.439 18.467 19.000 -0.157 0.000 0.815 77 A HN 0.351 nan 8.150 nan 0.000 0.443 78 M N -0.733 118.895 119.600 0.046 0.000 2.374 78 M HA 0.031 4.511 4.480 0.000 0.000 0.264 78 M C 1.097 177.413 176.300 0.028 0.000 1.067 78 M CA 0.934 56.268 55.300 0.057 0.000 1.103 78 M CB -0.196 32.438 32.600 0.056 0.000 1.402 78 M HN 0.294 nan 8.290 nan 0.000 0.444 79 L N -0.891 120.335 121.223 0.006 0.000 2.628 79 L HA 0.252 4.592 4.340 0.000 0.000 0.229 79 L C 1.211 178.070 176.870 -0.018 0.000 1.137 79 L CA 0.129 54.967 54.840 -0.005 0.000 0.909 79 L CB 0.020 42.073 42.059 -0.010 0.000 1.137 79 L HN 0.563 nan 8.230 nan 0.000 0.470 80 G N -0.276 108.511 108.800 -0.022 0.000 2.211 80 G HA2 -0.200 3.760 3.960 0.000 0.000 0.201 80 G HA3 -0.200 3.760 3.960 0.000 0.000 0.201 80 G C 0.369 175.209 174.900 -0.100 0.000 0.997 80 G CA -0.165 44.911 45.100 -0.040 0.000 0.652 80 G HN 0.398 nan 8.290 nan 0.000 0.500 81 A N 0.492 123.219 122.820 -0.154 0.000 2.388 81 A HA 0.652 4.972 4.320 0.000 0.000 0.257 81 A C 0.858 178.159 177.584 -0.471 0.000 1.095 81 A CA 0.977 52.801 52.037 -0.355 0.000 0.791 81 A CB 0.252 19.016 19.000 -0.393 0.000 1.029 81 A HN 1.314 nan 8.150 nan 0.000 0.489 82 N N -0.429 117.923 118.700 -0.580 0.000 2.036 82 N HA 0.155 4.895 4.740 0.000 0.000 0.228 82 N C -1.092 174.208 175.510 -0.350 0.000 1.368 82 N CA 0.101 52.944 53.050 -0.344 0.000 0.846 82 N CB 0.570 39.036 38.487 -0.035 0.000 1.145 82 N HN 0.250 nan 8.380 nan 0.000 0.502 83 V N 1.552 121.080 119.914 -0.644 0.000 2.443 83 V HA 0.557 4.678 4.120 0.000 0.000 0.293 83 V C -1.482 174.255 176.094 -0.596 0.000 1.021 83 V CA -0.576 61.499 62.300 -0.375 0.000 0.848 83 V CB 0.777 32.482 31.823 -0.197 0.000 0.998 83 V HN 0.058 nan 8.190 nan 0.000 0.424 84 F N 4.800 124.755 119.950 0.008 0.000 2.520 84 F HA 0.699 5.226 4.527 0.000 0.000 0.322 84 F C -0.043 175.792 175.800 0.059 0.000 1.103 84 F CA -0.748 57.256 58.000 0.007 0.000 0.926 84 F CB 1.976 40.968 39.000 -0.014 0.000 1.154 84 F HN 0.215 nan 8.300 nan 0.000 0.453 85 I N 3.185 123.894 120.570 0.232 0.000 2.468 85 I HA 0.338 4.508 4.170 0.000 0.000 0.284 85 I C -0.416 175.827 176.117 0.210 0.000 1.038 85 I CA -0.668 60.745 61.300 0.188 0.000 1.083 85 I CB 1.869 39.929 38.000 0.099 0.000 1.223 85 I HN 0.593 nan 8.210 nan 0.000 0.443 86 R N 5.472 126.110 120.500 0.230 0.000 2.390 86 R HA 0.264 4.604 4.340 0.000 0.000 0.291 86 R C -1.710 174.773 176.300 0.305 0.000 1.070 86 R CA -0.149 56.099 56.100 0.247 0.000 1.014 86 R CB 0.897 31.297 30.300 0.166 0.000 1.007 86 R HN 0.505 nan 8.270 nan 0.000 0.466 87 Y N 3.768 124.151 120.300 0.139 0.000 2.363 87 Y HA 0.521 5.071 4.550 0.000 0.000 0.325 87 Y C -0.591 175.378 175.900 0.115 0.000 0.984 87 Y CA -0.621 57.555 58.100 0.127 0.000 1.248 87 Y CB 1.318 39.846 38.460 0.114 0.000 1.116 87 Y HN 0.809 nan 8.280 nan 0.000 0.470 88 G N 2.020 110.800 108.800 -0.034 0.000 3.176 88 G HA2 0.578 4.538 3.960 0.000 0.000 0.272 88 G HA3 0.578 4.538 3.960 0.000 0.000 0.272 88 G C -0.961 173.845 174.900 -0.156 0.000 1.349 88 G CA -0.665 44.374 45.100 -0.102 0.000 0.953 88 G HN 0.578 nan 8.290 nan 0.000 0.559 89 T N -2.984 111.517 114.554 -0.089 0.000 2.940 89 T HA 0.732 5.082 4.350 0.000 0.000 0.288 89 T C -0.311 174.374 174.700 -0.025 0.000 1.033 89 T CA -0.478 61.580 62.100 -0.070 0.000 1.033 89 T CB 2.007 70.839 68.868 -0.060 0.000 1.079 89 T HN 0.895 nan 8.240 nan 0.000 0.496 90 T N -0.556 113.987 114.554 -0.019 0.000 2.792 90 T HA 0.675 5.025 4.350 0.000 0.000 0.303 90 T C -0.821 173.869 174.700 -0.016 0.000 1.310 90 T CA -0.398 61.696 62.100 -0.010 0.000 1.007 90 T CB 1.353 70.222 68.868 0.002 0.000 1.335 90 T HN 1.187 nan 8.240 nan 0.000 0.504 91 G N 1.228 110.017 108.800 -0.018 0.000 2.422 91 G HA2 0.663 4.623 3.960 0.000 0.000 0.317 91 G HA3 0.663 4.623 3.960 0.000 0.000 0.317 91 G C -0.027 174.865 174.900 -0.013 0.000 1.210 91 G CA -0.155 44.930 45.100 -0.025 0.000 0.930 91 G HN 0.979 nan 8.290 nan 0.000 0.468 92 A N 2.137 124.933 122.820 -0.040 0.000 2.445 92 A HA 0.497 4.817 4.320 0.000 0.000 0.242 92 A C 0.953 178.505 177.584 -0.053 0.000 1.075 92 A CA -0.269 51.723 52.037 -0.075 0.000 0.777 92 A CB 0.446 19.358 19.000 -0.148 0.000 1.013 92 A HN 0.740 nan 8.150 nan 0.000 0.493 93 L N 1.742 122.928 121.223 -0.062 0.000 2.693 93 L HA 0.169 4.509 4.340 0.000 0.000 0.235 93 L C -0.160 176.653 176.870 -0.093 0.000 1.127 93 L CA 0.046 54.875 54.840 -0.018 0.000 0.914 93 L CB 0.138 42.222 42.059 0.042 0.000 1.193 93 L HN 0.633 nan 8.230 nan 0.000 0.502 94 V N -4.400 115.374 119.914 -0.234 0.000 2.680 94 V HA 0.447 4.567 4.120 0.000 0.000 0.309 94 V C -1.859 173.988 176.094 -0.412 0.000 1.052 94 V CA -1.625 60.461 62.300 -0.357 0.000 0.908 94 V CB 1.526 32.974 31.823 -0.625 0.000 1.001 94 V HN -0.173 nan 8.190 nan 0.000 0.431 95 P HA -0.154 nan 4.420 nan 0.000 0.220 95 P C 1.238 178.470 177.300 -0.114 0.000 1.148 95 P CA 1.628 64.647 63.100 -0.136 0.000 0.803 95 P CB -0.073 31.615 31.700 -0.021 0.000 0.782 96 Y N -0.795 119.466 120.300 -0.065 0.000 2.561 96 Y HA 0.273 4.823 4.550 0.000 0.000 0.291 96 Y C 1.122 176.952 175.900 -0.117 0.000 1.141 96 Y CA -0.929 57.133 58.100 -0.062 0.000 1.303 96 Y CB -1.427 37.008 38.460 -0.041 0.000 1.015 96 Y HN -0.219 nan 8.280 nan 0.000 0.547 97 I N 3.011 123.364 120.570 -0.362 0.000 2.371 97 I HA 0.103 4.273 4.170 0.000 0.000 0.290 97 I C -0.293 175.779 176.117 -0.075 0.000 1.028 97 I CA -0.278 60.842 61.300 -0.300 0.000 1.345 97 I CB 0.437 38.104 38.000 -0.554 0.000 1.407 97 I HN 0.200 nan 8.210 nan 0.000 0.501 98 N N 6.469 125.206 118.700 0.062 0.000 2.495 98 N HA 0.446 5.186 4.740 0.000 0.000 0.280 98 N C -0.288 175.245 175.510 0.038 0.000 1.168 98 N CA -0.633 52.454 53.050 0.061 0.000 0.978 98 N CB 1.546 40.095 38.487 0.103 0.000 1.191 98 N HN 0.381 nan 8.380 nan 0.000 0.497 99 L N 0.309 121.544 121.223 0.020 0.000 2.483 99 L HA 0.068 4.408 4.340 0.000 0.000 0.275 99 L C 1.720 178.577 176.870 -0.023 0.000 1.220 99 L CA 0.407 55.242 54.840 -0.007 0.000 0.833 99 L CB -0.044 42.014 42.059 -0.002 0.000 1.102 99 L HN 0.881 nan 8.230 nan 0.000 0.490 100 G N 0.822 109.575 108.800 -0.077 0.000 2.267 100 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 100 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 100 G C 0.341 175.044 174.900 -0.328 0.000 0.998 100 G CA 0.172 45.185 45.100 -0.145 0.000 0.620 100 G HN 0.667 nan 8.290 nan 0.000 0.529 101 E N -0.714 119.374 120.200 -0.187 0.000 2.405 101 E HA 0.550 4.900 4.350 0.000 0.000 0.253 101 E C -0.434 175.990 176.600 -0.293 0.000 1.257 101 E CA -0.292 56.020 56.400 -0.145 0.000 0.960 101 E CB 0.424 30.243 29.700 0.199 0.000 1.077 101 E HN 0.403 nan 8.360 nan 0.000 0.512 102 Y N -0.559 119.913 120.300 0.286 0.000 2.524 102 Y HA 0.491 5.041 4.550 0.000 0.000 0.344 102 Y C -0.101 175.947 175.900 0.246 0.000 1.012 102 Y CA -0.815 57.428 58.100 0.237 0.000 1.068 102 Y CB 1.151 39.731 38.460 0.202 0.000 1.249 102 Y HN 0.227 nan 8.280 nan 0.000 0.468 103 I N 3.533 124.291 120.570 0.314 0.000 2.410 103 I HA 0.354 4.524 4.170 0.000 0.000 0.286 103 I C -0.927 175.267 176.117 0.129 0.000 1.009 103 I CA -0.434 61.012 61.300 0.244 0.000 1.111 103 I CB 1.255 39.364 38.000 0.182 0.000 1.262 103 I HN 0.469 nan 8.210 nan 0.000 0.443 104 I N 7.225 127.846 120.570 0.085 0.000 2.291 104 I HA 0.194 4.364 4.170 0.000 0.000 0.290 104 I C -0.043 176.114 176.117 0.066 0.000 1.050 104 I CA -0.693 60.589 61.300 -0.031 0.000 1.245 104 I CB 1.122 39.008 38.000 -0.191 0.000 1.405 104 I HN 0.206 nan 8.210 nan 0.000 0.478 105 V N 5.734 125.714 119.914 0.111 0.000 2.585 105 V HA 0.004 4.124 4.120 0.000 0.000 0.296 105 V C 1.370 177.533 176.094 0.114 0.000 1.035 105 V CA 0.279 62.685 62.300 0.177 0.000 1.084 105 V CB 0.875 32.886 31.823 0.313 0.000 0.953 105 V HN 0.901 nan 8.190 nan 0.000 0.483 106 T N 0.258 114.874 114.554 0.104 0.000 3.023 106 T HA 0.522 4.872 4.350 0.000 0.000 0.253 106 T C 0.587 175.306 174.700 0.031 0.000 1.038 106 T CA 0.361 62.480 62.100 0.032 0.000 0.962 106 T CB 0.508 69.414 68.868 0.065 0.000 1.018 106 T HN 1.188 nan 8.240 nan 0.000 0.521 107 G N -0.048 108.848 108.800 0.160 0.000 2.368 107 G HA2 0.588 4.548 3.960 0.000 0.000 0.293 107 G HA3 0.588 4.548 3.960 0.000 0.000 0.293 107 G C -2.066 173.054 174.900 0.366 0.000 1.467 107 G CA -0.402 44.837 45.100 0.232 0.000 0.804 107 G HN 0.610 nan 8.290 nan 0.000 0.535 108 A N 0.173 123.224 122.820 0.385 0.000 2.359 108 A HA 0.863 5.183 4.320 0.000 0.000 0.303 108 A C 0.014 177.770 177.584 0.286 0.000 1.066 108 A CA -0.358 51.847 52.037 0.281 0.000 0.730 108 A CB 1.613 20.722 19.000 0.182 0.000 1.211 108 A HN 1.221 nan 8.150 nan 0.000 0.439 109 S N 0.925 116.770 115.700 0.241 0.000 2.585 109 S HA 0.775 5.245 4.470 0.000 0.000 0.277 109 S C -0.789 173.996 174.600 0.309 0.000 1.241 109 S CA -0.138 58.209 58.200 0.244 0.000 1.041 109 S CB 0.605 63.967 63.200 0.270 0.000 0.987 109 S HN 0.952 nan 8.310 nan 0.000 0.512 110 Y N -0.705 119.644 120.300 0.082 0.000 2.624 110 Y HA 0.545 5.095 4.550 0.000 0.000 0.334 110 Y C -1.142 174.806 175.900 0.079 0.000 1.155 110 Y CA -1.365 56.752 58.100 0.030 0.000 1.046 110 Y CB 0.602 38.904 38.460 -0.263 0.000 1.316 110 Y HN 0.381 nan 8.280 nan 0.000 0.457 111 N N 2.251 121.105 118.700 0.258 0.000 2.455 111 N HA 0.169 4.909 4.740 0.000 0.000 0.280 111 N C -0.945 174.660 175.510 0.158 0.000 1.055 111 N CA -0.472 52.680 53.050 0.170 0.000 0.961 111 N CB 1.487 40.142 38.487 0.279 0.000 1.121 111 N HN 0.756 nan 8.380 nan 0.000 0.476 112 Q N 0.392 120.216 119.800 0.039 0.000 2.283 112 Q HA 0.281 4.621 4.340 0.000 0.000 0.301 112 Q C 0.363 176.512 176.000 0.248 0.000 1.063 112 Q CA 0.431 56.322 55.803 0.146 0.000 0.952 112 Q CB 0.528 29.307 28.738 0.068 0.000 1.166 112 Q HN 0.729 nan 8.270 nan 0.000 0.381 113 G N 0.417 109.460 108.800 0.405 0.000 2.721 113 G HA2 0.438 4.398 3.960 0.000 0.000 0.296 113 G HA3 0.438 4.398 3.960 0.000 0.000 0.296 113 G C 0.474 175.588 174.900 0.357 0.000 1.383 113 G CA -0.276 45.034 45.100 0.350 0.000 0.788 113 G HN 0.649 nan 8.290 nan 0.000 0.500 114 G N -0.274 108.674 108.800 0.248 0.000 2.529 114 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 114 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 114 G C 1.791 176.806 174.900 0.191 0.000 1.177 114 G CA 1.385 46.619 45.100 0.224 0.000 0.773 114 G HN 0.715 nan 8.290 nan 0.000 0.573 115 L N -0.808 120.466 121.223 0.086 0.000 2.012 115 L HA -0.067 4.273 4.340 0.000 0.000 0.210 115 L C 2.770 179.620 176.870 -0.032 0.000 1.073 115 L CA 1.768 56.570 54.840 -0.063 0.000 0.748 115 L CB -0.270 41.638 42.059 -0.252 0.000 0.891 115 L HN 0.253 nan 8.230 nan 0.000 0.431 116 F N -1.552 118.497 119.950 0.165 0.000 2.186 116 F HA -0.240 4.287 4.527 0.000 0.000 0.299 116 F C 2.348 178.284 175.800 0.227 0.000 1.090 116 F CA 1.559 59.660 58.000 0.167 0.000 1.307 116 F CB -0.837 38.251 39.000 0.146 0.000 1.019 116 F HN 0.157 nan 8.300 nan 0.000 0.489 117 Y N 1.303 121.759 120.300 0.261 0.000 2.200 117 Y HA -0.211 4.339 4.550 0.000 0.000 0.290 117 Y C 2.309 178.261 175.900 0.087 0.000 1.137 117 Y CA 1.514 59.711 58.100 0.163 0.000 1.163 117 Y CB -0.793 37.745 38.460 0.129 0.000 0.988 117 Y HN 0.108 nan 8.280 nan 0.000 0.518 118 Q N -1.519 118.235 119.800 -0.076 0.000 2.124 118 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 118 Q C 1.905 177.752 176.000 -0.255 0.000 0.977 118 Q CA 1.908 57.544 55.803 -0.277 0.000 0.850 118 Q CB -0.325 28.256 28.738 -0.261 0.000 0.901 118 Q HN 0.546 nan 8.270 nan 0.000 0.429 119 Y N 0.057 120.292 120.300 -0.108 0.000 2.231 119 Y HA -0.052 4.498 4.550 0.000 0.000 0.294 119 Y C 1.917 177.779 175.900 -0.063 0.000 1.120 119 Y CA 0.805 58.847 58.100 -0.097 0.000 1.141 119 Y CB 0.096 38.486 38.460 -0.117 0.000 1.022 119 Y HN 0.010 nan 8.280 nan 0.000 0.523 120 L N -0.997 120.326 121.223 0.166 0.000 2.418 120 L HA 0.000 4.340 4.340 0.000 0.000 0.218 120 L C 0.891 177.797 176.870 0.061 0.000 1.125 120 L CA 0.680 55.596 54.840 0.127 0.000 0.835 120 L CB -0.204 41.973 42.059 0.197 0.000 0.953 120 L HN 0.163 nan 8.230 nan 0.000 0.454 121 R N -0.224 120.252 120.500 -0.040 0.000 3.922 121 R HA -0.182 4.158 4.340 0.000 0.000 0.447 121 R C -0.372 175.940 176.300 0.020 0.000 1.035 121 R CA 1.204 57.219 56.100 -0.142 0.000 1.289 121 R CB -1.780 28.475 30.300 -0.076 0.000 1.906 121 R HN 0.666 nan 8.270 nan 0.000 0.540 122 D N -1.490 119.039 120.400 0.215 0.000 2.779 122 D HA -0.006 4.634 4.640 0.000 0.000 0.331 122 D C -0.419 176.086 176.300 0.341 0.000 1.331 122 D CA -0.427 53.779 54.000 0.344 0.000 0.866 122 D CB -0.518 40.396 40.800 0.189 0.000 1.409 122 D HN -0.058 nan 8.370 nan 0.000 0.486 123 N N -0.287 118.543 118.700 0.217 0.000 2.313 123 N HA 0.220 4.960 4.740 0.000 0.000 0.207 123 N C 0.036 175.619 175.510 0.122 0.000 1.141 123 N CA -0.094 53.050 53.050 0.156 0.000 0.830 123 N CB -0.255 38.273 38.487 0.067 0.000 1.008 123 N HN 0.610 nan 8.380 nan 0.000 0.481 124 A N 0.270 123.169 122.820 0.131 0.000 2.511 124 A HA 0.196 4.516 4.320 0.000 0.000 0.242 124 A C 0.230 177.884 177.584 0.116 0.000 1.069 124 A CA -0.358 51.739 52.037 0.100 0.000 0.763 124 A CB 0.001 19.058 19.000 0.095 0.000 1.001 124 A HN 0.525 nan 8.150 nan 0.000 0.498 125 C N 4.167 123.509 119.300 0.069 0.000 2.262 125 C HA 0.333 4.793 4.460 0.000 0.000 0.413 125 C C 0.695 175.753 174.990 0.114 0.000 1.019 125 C CA -0.702 58.355 59.018 0.065 0.000 1.320 125 C CB -2.193 25.526 27.740 -0.035 0.000 1.657 125 C HN 0.568 nan 8.230 nan 0.000 0.510 126 V N 3.331 123.349 119.914 0.174 0.000 2.655 126 V HA 0.202 4.323 4.120 0.000 0.000 0.300 126 V C 1.069 177.261 176.094 0.163 0.000 1.044 126 V CA -0.076 62.310 62.300 0.143 0.000 1.095 126 V CB 0.434 32.340 31.823 0.139 0.000 0.952 126 V HN 0.868 nan 8.190 nan 0.000 0.485 127 A N 4.193 127.082 122.820 0.114 0.000 2.537 127 A HA 0.222 4.542 4.320 0.000 0.000 0.260 127 A C 0.798 178.469 177.584 0.145 0.000 1.082 127 A CA 0.419 52.526 52.037 0.117 0.000 0.765 127 A CB -0.029 19.014 19.000 0.070 0.000 1.019 127 A HN 0.869 nan 8.150 nan 0.000 0.507 128 S N 2.959 118.786 115.700 0.211 0.000 3.170 128 S HA 0.483 4.953 4.470 0.000 0.000 0.257 128 S C 0.310 175.079 174.600 0.281 0.000 1.284 128 S CA 0.037 58.397 58.200 0.267 0.000 0.973 128 S CB -0.735 62.643 63.200 0.297 0.000 1.330 128 S HN 1.043 nan 8.310 nan 0.000 0.493 129 T N 2.394 116.997 114.554 0.083 0.000 2.924 129 T HA 0.727 5.077 4.350 0.000 0.000 0.291 129 T C -3.061 171.294 174.700 -0.575 0.000 1.045 129 T CA -2.056 59.917 62.100 -0.212 0.000 1.015 129 T CB 1.854 70.673 68.868 -0.082 0.000 1.103 129 T HN 0.299 nan 8.240 nan 0.000 0.496 130 P HA 0.319 nan 4.420 nan 0.000 0.282 130 P C -0.835 176.322 177.300 -0.238 0.000 1.287 130 P CA -0.344 62.287 63.100 -0.781 0.000 0.792 130 P CB 0.516 31.719 31.700 -0.828 0.000 1.163 131 D N -0.772 119.575 120.400 -0.089 0.000 2.383 131 D HA 0.016 4.656 4.640 0.000 0.000 0.252 131 D C 0.992 177.314 176.300 0.037 0.000 1.166 131 D CA -0.122 53.888 54.000 0.017 0.000 0.879 131 D CB -0.064 40.767 40.800 0.052 0.000 1.164 131 D HN 0.207 nan 8.370 nan 0.000 0.462 132 F N 3.048 122.964 119.950 -0.057 0.000 2.069 132 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 132 F C 1.959 177.741 175.800 -0.030 0.000 1.113 132 F CA 1.542 59.514 58.000 -0.046 0.000 1.214 132 F CB 0.113 39.094 39.000 -0.032 0.000 0.978 132 F HN 0.540 nan 8.300 nan 0.000 0.474 133 E N 0.352 120.618 120.200 0.108 0.000 2.038 133 E HA -0.280 4.070 4.350 0.000 0.000 0.195 133 E C 2.386 178.948 176.600 -0.064 0.000 1.000 133 E CA 1.603 58.010 56.400 0.013 0.000 0.803 133 E CB -0.541 29.199 29.700 0.067 0.000 0.750 133 E HN 0.463 nan 8.360 nan 0.000 0.448 134 L N 0.880 122.085 121.223 -0.031 0.000 2.042 134 L HA -0.210 4.130 4.340 0.000 0.000 0.210 134 L C 2.415 179.238 176.870 -0.078 0.000 1.076 134 L CA 1.432 56.251 54.840 -0.035 0.000 0.749 134 L CB -0.404 41.656 42.059 0.002 0.000 0.893 134 L HN 0.247 nan 8.230 nan 0.000 0.432 135 T N -0.495 113.983 114.554 -0.125 0.000 2.746 135 T HA -0.145 4.205 4.350 0.000 0.000 0.267 135 T C 1.650 176.221 174.700 -0.214 0.000 1.039 135 T CA 1.310 63.310 62.100 -0.167 0.000 1.142 135 T CB -0.220 68.526 68.868 -0.203 0.000 0.866 135 T HN 0.344 nan 8.240 nan 0.000 0.444 136 N N 1.031 119.560 118.700 -0.284 0.000 2.188 136 N HA -0.004 4.736 4.740 0.000 0.000 0.184 136 N C 1.840 177.259 175.510 -0.151 0.000 1.018 136 N CA 0.874 53.770 53.050 -0.256 0.000 0.858 136 N CB -0.107 38.191 38.487 -0.315 0.000 0.989 136 N HN 0.433 nan 8.380 nan 0.000 0.426 137 K N 0.672 121.004 120.400 -0.114 0.000 2.097 137 K HA -0.016 4.304 4.320 0.000 0.000 0.206 137 K C 2.074 178.638 176.600 -0.060 0.000 1.049 137 K CA 0.587 56.833 56.287 -0.069 0.000 0.933 137 K CB -0.071 32.400 32.500 -0.048 0.000 0.717 137 K HN 0.133 nan 8.250 nan 0.000 0.442 138 L N 0.395 121.575 121.223 -0.071 0.000 2.027 138 L HA -0.196 4.144 4.340 0.000 0.000 0.206 138 L C 2.292 179.114 176.870 -0.080 0.000 1.074 138 L CA 0.925 55.748 54.840 -0.029 0.000 0.745 138 L CB -0.367 41.639 42.059 -0.088 0.000 0.898 138 L HN -0.003 nan 8.230 nan 0.000 0.433 139 V N -0.471 119.313 119.914 -0.218 0.000 2.332 139 V HA -0.326 3.794 4.120 0.000 0.000 0.248 139 V C 2.538 178.522 176.094 -0.183 0.000 1.055 139 V CA 2.401 64.491 62.300 -0.349 0.000 1.038 139 V CB -0.735 30.953 31.823 -0.225 0.000 0.651 139 V HN 0.509 nan 8.190 nan 0.000 0.450 140 T N -0.433 114.067 114.554 -0.090 0.000 2.708 140 T HA -0.179 4.171 4.350 0.000 0.000 0.266 140 T C 2.132 176.813 174.700 -0.032 0.000 1.037 140 T CA 1.898 63.974 62.100 -0.040 0.000 1.146 140 T CB -0.283 68.563 68.868 -0.036 0.000 0.865 140 T HN 0.505 nan 8.240 nan 0.000 0.435 141 S N 0.885 116.564 115.700 -0.036 0.000 2.368 141 S HA -0.018 4.452 4.470 0.000 0.000 0.225 141 S C 1.667 176.178 174.600 -0.148 0.000 1.030 141 S CA 0.995 59.144 58.200 -0.084 0.000 0.999 141 S CB -0.468 62.669 63.200 -0.104 0.000 0.844 141 S HN 0.393 nan 8.310 nan 0.000 0.459 142 F N 1.315 121.125 119.950 -0.234 0.000 2.325 142 F HA 0.012 4.539 4.527 0.000 0.000 0.299 142 F C 2.720 178.480 175.800 -0.068 0.000 1.090 142 F CA 0.771 58.629 58.000 -0.237 0.000 1.392 142 F CB -0.452 38.285 39.000 -0.437 0.000 1.053 142 F HN 0.189 nan 8.300 nan 0.000 0.521 143 S N 0.030 115.797 115.700 0.112 0.000 2.362 143 S HA -0.135 4.335 4.470 0.000 0.000 0.221 143 S C 2.093 176.737 174.600 0.074 0.000 1.032 143 S CA 1.038 59.346 58.200 0.179 0.000 0.973 143 S CB -0.142 63.150 63.200 0.154 0.000 0.849 143 S HN 0.283 nan 8.310 nan 0.000 0.465 144 K N 0.346 120.755 120.400 0.015 0.000 2.211 144 K HA 0.022 4.342 4.320 0.000 0.000 0.204 144 K C 1.930 178.513 176.600 -0.029 0.000 1.047 144 K CA 0.994 57.274 56.287 -0.011 0.000 0.935 144 K CB -0.096 32.385 32.500 -0.032 0.000 0.728 144 K HN 0.276 nan 8.250 nan 0.000 0.452 145 R N 0.728 121.191 120.500 -0.063 0.000 2.356 145 R HA 0.102 4.442 4.340 0.000 0.000 0.234 145 R C -0.283 176.003 176.300 -0.022 0.000 0.929 145 R CA -0.092 55.960 56.100 -0.080 0.000 1.084 145 R CB 0.129 30.314 30.300 -0.192 0.000 1.105 145 R HN 0.195 nan 8.270 nan 0.000 0.515 146 N N 0.995 119.712 118.700 0.028 0.000 2.721 146 N HA -0.200 4.540 4.740 0.000 0.000 0.249 146 N C -0.818 174.759 175.510 0.111 0.000 1.072 146 N CA 0.971 54.062 53.050 0.068 0.000 0.710 146 N CB -1.147 37.367 38.487 0.045 0.000 0.993 146 N HN 0.290 nan 8.380 nan 0.000 0.547 147 L N 0.289 121.609 121.223 0.162 0.000 2.334 147 L HA 0.287 4.627 4.340 0.000 0.000 0.277 147 L C 1.013 178.112 176.870 0.382 0.000 1.075 147 L CA -0.567 54.437 54.840 0.274 0.000 0.804 147 L CB 0.937 43.101 42.059 0.176 0.000 1.174 147 L HN -0.232 nan 8.230 nan 0.000 0.438 148 K N 3.642 124.262 120.400 0.368 0.000 2.284 148 K HA 0.298 4.618 4.320 0.000 0.000 0.287 148 K C -0.905 175.866 176.600 0.285 0.000 1.081 148 K CA -0.078 56.308 56.287 0.166 0.000 0.910 148 K CB 0.767 33.331 32.500 0.106 0.000 1.088 148 K HN 0.425 nan 8.250 nan 0.000 0.478 149 Y N 0.639 120.935 120.300 -0.007 0.000 2.638 149 Y HA 0.637 5.187 4.550 -0.000 0.000 0.339 149 Y C -1.260 174.478 175.900 -0.269 0.000 1.084 149 Y CA -1.530 56.579 58.100 0.016 0.000 1.068 149 Y CB 1.049 39.516 38.460 0.012 0.000 1.294 149 Y HN 0.309 nan 8.280 nan 0.000 0.480 150 Y N 0.138 120.595 120.300 0.262 0.000 2.492 150 Y HA 0.630 5.180 4.550 0.000 0.000 0.346 150 Y C -0.973 175.073 175.900 0.243 0.000 0.997 150 Y CA -1.479 56.731 58.100 0.185 0.000 1.025 150 Y CB 2.397 40.971 38.460 0.190 0.000 1.263 150 Y HN 0.557 nan 8.280 nan 0.000 0.454 151 V N 2.466 122.590 119.914 0.351 0.000 2.394 151 V HA 0.952 5.072 4.120 0.000 0.000 0.282 151 V C 0.200 176.417 176.094 0.204 0.000 1.031 151 V CA -0.186 62.259 62.300 0.241 0.000 0.881 151 V CB 0.910 32.848 31.823 0.191 0.000 0.982 151 V HN 0.982 nan 8.190 nan 0.000 0.451 152 G N 3.550 112.452 108.800 0.170 0.000 2.441 152 G HA2 0.281 4.241 3.960 0.000 0.000 0.294 152 G HA3 0.281 4.241 3.960 0.000 0.000 0.294 152 G C -1.477 173.510 174.900 0.145 0.000 1.393 152 G CA -0.989 44.202 45.100 0.153 0.000 0.796 152 G HN 0.581 nan 8.290 nan 0.000 0.494 153 N N -1.259 117.524 118.700 0.140 0.000 2.483 153 N HA 0.564 5.304 4.740 0.000 0.000 0.269 153 N C -0.062 175.535 175.510 0.144 0.000 1.209 153 N CA -0.281 52.861 53.050 0.154 0.000 0.969 153 N CB 2.088 40.664 38.487 0.148 0.000 1.173 153 N HN 0.694 nan 8.380 nan 0.000 0.475 154 V N -1.024 118.980 119.914 0.149 0.000 2.962 154 V HA 0.594 4.714 4.120 0.000 0.000 0.313 154 V C -1.046 175.106 176.094 0.097 0.000 1.099 154 V CA -1.031 61.332 62.300 0.105 0.000 0.971 154 V CB 1.542 33.403 31.823 0.063 0.000 1.028 154 V HN 0.541 nan 8.190 nan 0.000 0.430 155 F N 2.823 122.676 119.950 -0.161 0.000 2.405 155 F HA 0.732 5.259 4.527 0.000 0.000 0.355 155 F C 0.386 176.005 175.800 -0.303 0.000 1.121 155 F CA -0.600 57.166 58.000 -0.389 0.000 1.112 155 F CB 1.288 39.741 39.000 -0.912 0.000 1.126 155 F HN 0.599 nan 8.300 nan 0.000 0.481 156 S N 4.915 120.209 115.700 -0.676 0.000 2.464 156 S HA 0.217 4.687 4.470 0.000 0.000 0.313 156 S C 0.010 173.978 174.600 -1.052 0.000 1.078 156 S CA -0.445 57.363 58.200 -0.653 0.000 1.096 156 S CB 0.279 63.314 63.200 -0.274 0.000 1.032 156 S HN 0.739 nan 8.310 nan 0.000 0.498 157 S N 1.776 116.728 115.700 -1.248 0.000 2.601 157 S HA 0.215 4.685 4.470 0.000 0.000 0.271 157 S C 0.428 174.861 174.600 -0.279 0.000 1.305 157 S CA -0.547 57.120 58.200 -0.889 0.000 1.022 157 S CB 0.544 63.408 63.200 -0.559 0.000 0.940 157 S HN 0.616 nan 8.310 nan 0.000 0.525 158 D N 1.754 122.115 120.400 -0.065 0.000 2.423 158 D HA 0.235 4.875 4.640 0.000 0.000 0.208 158 D C 0.003 176.347 176.300 0.074 0.000 1.068 158 D CA 0.296 54.312 54.000 0.028 0.000 0.860 158 D CB 0.545 41.401 40.800 0.093 0.000 0.992 158 D HN 0.510 nan 8.370 nan 0.000 0.504 159 A N 0.578 123.454 122.820 0.095 0.000 2.536 159 A HA 0.295 4.615 4.320 0.000 0.000 0.329 159 A C 0.263 177.904 177.584 0.095 0.000 1.321 159 A CA -0.657 51.458 52.037 0.130 0.000 0.804 159 A CB -0.015 19.076 19.000 0.152 0.000 1.126 159 A HN 0.007 nan 8.150 nan 0.000 0.480 160 F N 1.883 121.788 119.950 -0.074 0.000 2.126 160 F HA -0.213 4.314 4.527 0.000 0.000 0.299 160 F C 1.151 176.717 175.800 -0.390 0.000 1.096 160 F CA 2.303 60.144 58.000 -0.265 0.000 1.255 160 F CB 0.032 38.822 39.000 -0.350 0.000 0.997 160 F HN 0.690 nan 8.300 nan 0.000 0.479 161 Y N -0.055 120.376 120.300 0.218 0.000 2.457 161 Y HA 0.434 4.984 4.550 0.000 0.000 0.263 161 Y C 1.090 177.013 175.900 0.039 0.000 1.164 161 Y CA -0.235 57.934 58.100 0.116 0.000 1.274 161 Y CB -0.652 37.902 38.460 0.157 0.000 1.097 161 Y HN 0.023 nan 8.280 nan 0.000 0.523 162 A N 1.344 124.247 122.820 0.139 0.000 2.511 162 A HA 0.408 4.728 4.320 0.000 0.000 0.242 162 A C 0.538 178.171 177.584 0.082 0.000 1.069 162 A CA 0.232 52.344 52.037 0.125 0.000 0.763 162 A CB -0.303 18.785 19.000 0.147 0.000 1.001 162 A HN 0.474 nan 8.150 nan 0.000 0.498 163 E N 1.560 121.812 120.200 0.087 0.000 2.313 163 E HA 0.473 4.823 4.350 0.000 0.000 0.276 163 E C -0.618 176.042 176.600 0.099 0.000 1.031 163 E CA -0.159 56.281 56.400 0.067 0.000 0.857 163 E CB 0.832 30.568 29.700 0.059 0.000 1.040 163 E HN 0.682 nan 8.360 nan 0.000 0.408 164 D N 1.289 121.755 120.400 0.111 0.000 2.365 164 D HA 0.333 4.973 4.640 0.000 0.000 0.235 164 D C 0.942 177.324 176.300 0.136 0.000 1.368 164 D CA 0.390 54.488 54.000 0.163 0.000 1.001 164 D CB 0.650 41.650 40.800 0.334 0.000 1.364 164 D HN 0.499 nan 8.370 nan 0.000 0.577 165 E N 2.196 122.442 120.200 0.077 0.000 2.219 165 E HA -0.141 4.209 4.350 0.000 0.000 0.198 165 E C 1.256 177.890 176.600 0.056 0.000 0.998 165 E CA 2.132 58.563 56.400 0.053 0.000 0.818 165 E CB -0.566 29.151 29.700 0.027 0.000 0.741 165 E HN 0.656 nan 8.360 nan 0.000 0.477 166 E N -1.151 119.080 120.200 0.051 0.000 2.651 166 E HA 0.531 4.881 4.350 0.000 0.000 0.208 166 E C 1.131 177.747 176.600 0.028 0.000 0.997 166 E CA 0.013 56.421 56.400 0.012 0.000 1.020 166 E CB -1.144 28.521 29.700 -0.058 0.000 1.052 166 E HN 0.554 nan 8.360 nan 0.000 0.465 167 F N 0.700 120.642 119.950 -0.013 0.000 2.032 167 F HA -0.328 4.199 4.527 0.000 0.000 0.297 167 F C 2.236 178.088 175.800 0.086 0.000 1.125 167 F CA 2.908 60.949 58.000 0.068 0.000 1.202 167 F CB -0.370 38.697 39.000 0.112 0.000 0.958 167 F HN 0.177 nan 8.300 nan 0.000 0.491 168 V N 0.711 120.797 119.914 0.286 0.000 2.255 168 V HA -0.366 3.754 4.120 0.000 0.000 0.247 168 V C 2.451 178.542 176.094 -0.005 0.000 1.051 168 V CA 2.432 64.824 62.300 0.153 0.000 1.018 168 V CB -0.924 30.984 31.823 0.142 0.000 0.641 168 V HN 0.383 nan 8.190 nan 0.000 0.445 169 K N 0.525 120.905 120.400 -0.033 0.000 2.032 169 K HA -0.301 4.019 4.320 0.000 0.000 0.209 169 K C 2.300 178.794 176.600 -0.177 0.000 1.048 169 K CA 2.337 58.574 56.287 -0.083 0.000 0.927 169 K CB -0.223 32.234 32.500 -0.073 0.000 0.712 169 K HN 0.432 nan 8.250 nan 0.000 0.441 170 K N -0.176 120.046 120.400 -0.297 0.000 1.991 170 K HA -0.187 4.133 4.320 0.000 0.000 0.212 170 K C 1.919 178.137 176.600 -0.636 0.000 1.049 170 K CA 2.257 58.221 56.287 -0.537 0.000 0.932 170 K CB -0.355 31.676 32.500 -0.782 0.000 0.717 170 K HN 0.311 nan 8.250 nan 0.000 0.441 171 W N 0.811 121.867 121.300 -0.407 0.000 2.436 171 W HA -0.102 4.558 4.660 -0.000 0.000 0.284 171 W C 2.638 179.029 176.519 -0.212 0.000 1.225 171 W CA 0.940 58.045 57.345 -0.400 0.000 1.271 171 W CB -0.226 28.876 29.460 -0.596 0.000 1.114 171 W HN 0.278 nan 8.180 nan 0.000 0.559 172 S N -0.342 115.360 115.700 0.004 0.000 2.406 172 S HA -0.171 4.299 4.470 0.000 0.000 0.228 172 S C 1.842 176.433 174.600 -0.014 0.000 1.020 172 S CA 1.236 59.443 58.200 0.011 0.000 0.965 172 S CB -0.968 62.229 63.200 -0.004 0.000 0.798 172 S HN 0.191 nan 8.310 nan 0.000 0.488 173 S N 1.208 116.866 115.700 -0.071 0.000 2.522 173 S HA 0.159 4.629 4.470 0.000 0.000 0.227 173 S C 1.513 176.067 174.600 -0.077 0.000 0.986 173 S CA -0.212 57.942 58.200 -0.076 0.000 0.929 173 S CB -0.384 62.746 63.200 -0.116 0.000 0.769 173 S HN 0.571 nan 8.310 nan 0.000 0.529 174 R N 0.491 120.945 120.500 -0.075 0.000 2.426 174 R HA 0.327 4.667 4.340 0.000 0.000 0.263 174 R C 1.245 177.567 176.300 0.036 0.000 0.961 174 R CA 0.360 56.433 56.100 -0.046 0.000 1.086 174 R CB 0.062 30.309 30.300 -0.088 0.000 1.186 174 R HN 0.541 nan 8.270 nan 0.000 0.537 175 G N 0.927 109.752 108.800 0.042 0.000 2.143 175 G HA2 -0.240 3.720 3.960 0.000 0.000 0.249 175 G HA3 -0.240 3.720 3.960 0.000 0.000 0.249 175 G C -0.387 174.573 174.900 0.099 0.000 0.981 175 G CA -0.389 44.753 45.100 0.069 0.000 0.665 175 G HN 0.311 nan 8.290 nan 0.000 0.528 176 N N 0.178 118.947 118.700 0.115 0.000 2.456 176 N HA 0.562 5.302 4.740 0.000 0.000 0.288 176 N C 1.472 177.034 175.510 0.088 0.000 1.059 176 N CA 0.067 53.194 53.050 0.129 0.000 0.946 176 N CB 1.305 39.904 38.487 0.186 0.000 1.150 176 N HN 0.477 nan 8.380 nan 0.000 0.479 177 I N -1.995 118.618 120.570 0.071 0.000 4.018 177 I HA 0.525 4.695 4.170 0.000 0.000 0.337 177 I C 0.344 176.454 176.117 -0.012 0.000 1.327 177 I CA -0.182 61.123 61.300 0.008 0.000 1.100 177 I CB 0.409 38.415 38.000 0.010 0.000 1.025 177 I HN 0.283 nan 8.210 nan 0.000 0.396 178 A N 0.533 123.376 122.820 0.038 0.000 2.601 178 A HA 0.751 5.071 4.320 0.000 0.000 0.291 178 A C -1.569 176.047 177.584 0.054 0.000 1.075 178 A CA -0.463 51.595 52.037 0.034 0.000 0.671 178 A CB 1.937 20.951 19.000 0.024 0.000 1.277 178 A HN 0.085 nan 8.150 nan 0.000 0.417 179 V N 0.715 120.655 119.914 0.043 0.000 2.709 179 V HA 0.863 4.983 4.120 0.000 0.000 0.308 179 V C -0.671 175.385 176.094 -0.064 0.000 1.062 179 V CA 0.232 62.536 62.300 0.007 0.000 0.901 179 V CB 1.694 33.612 31.823 0.159 0.000 1.003 179 V HN 1.494 nan 8.190 nan 0.000 0.425 180 E N 5.371 125.479 120.200 -0.154 0.000 2.233 180 E HA 0.547 4.897 4.350 0.000 0.000 0.223 180 E C -0.389 176.084 176.600 -0.212 0.000 1.048 180 E CA -0.578 55.745 56.400 -0.128 0.000 0.883 180 E CB 1.294 30.947 29.700 -0.078 0.000 1.925 180 E HN 0.417 nan 8.360 nan 0.000 0.460 181 M N -0.901 118.607 119.600 -0.154 0.000 2.211 181 M HA 0.325 4.805 4.480 0.000 0.000 0.338 181 M C 0.144 176.338 176.300 -0.177 0.000 0.893 181 M CA 0.199 55.395 55.300 -0.173 0.000 1.096 181 M CB 0.787 33.339 32.600 -0.080 0.000 1.923 181 M HN 0.425 nan 8.290 nan 0.000 0.656 182 E N -0.358 119.720 120.200 -0.204 0.000 2.514 182 E HA 0.134 4.484 4.350 0.000 0.000 0.215 182 E C 1.532 177.918 176.600 -0.357 0.000 0.946 182 E CA 0.185 56.418 56.400 -0.278 0.000 1.038 182 E CB 0.071 29.540 29.700 -0.385 0.000 1.069 182 E HN 0.318 nan 8.360 nan 0.000 0.503 183 C N 1.101 120.165 119.300 -0.394 0.000 2.413 183 C HA -0.129 4.331 4.460 0.000 0.000 0.276 183 C C 2.802 177.336 174.990 -0.760 0.000 1.236 183 C CA 1.312 59.901 59.018 -0.716 0.000 1.735 183 C CB -0.908 26.446 27.740 -0.645 0.000 2.031 183 C HN 0.585 nan 8.230 nan 0.000 0.474 184 A N 0.121 122.736 122.820 -0.342 0.000 1.892 184 A HA -0.240 4.080 4.320 0.000 0.000 0.218 184 A C 2.175 179.722 177.584 -0.060 0.000 1.188 184 A CA 2.765 54.725 52.037 -0.127 0.000 0.631 184 A CB -1.209 17.761 19.000 -0.051 0.000 0.822 184 A HN 0.601 nan 8.150 nan 0.000 0.447 185 T N -0.051 114.427 114.554 -0.127 0.000 2.708 185 T HA -0.137 4.213 4.350 0.000 0.000 0.266 185 T C 1.861 176.416 174.700 -0.243 0.000 1.037 185 T CA 1.497 63.438 62.100 -0.266 0.000 1.146 185 T CB -0.449 68.221 68.868 -0.331 0.000 0.865 185 T HN 0.361 nan 8.240 nan 0.000 0.435 186 L N 0.755 121.807 121.223 -0.285 0.000 1.990 186 L HA -0.044 4.296 4.340 0.000 0.000 0.213 186 L C 2.091 178.989 176.870 0.047 0.000 1.072 186 L CA 1.809 56.534 54.840 -0.192 0.000 0.755 186 L CB -0.959 40.927 42.059 -0.289 0.000 0.889 186 L HN 0.345 nan 8.230 nan 0.000 0.432 187 F N -0.933 119.008 119.950 -0.015 0.000 2.075 187 F HA -0.245 4.282 4.527 0.000 0.000 0.297 187 F C 2.353 178.141 175.800 -0.020 0.000 1.113 187 F CA 1.203 59.211 58.000 0.013 0.000 1.218 187 F CB -0.928 38.093 39.000 0.034 0.000 0.984 187 F HN 0.092 nan 8.300 nan 0.000 0.472 188 T N 1.008 115.653 114.554 0.152 0.000 2.708 188 T HA -0.168 4.182 4.350 0.000 0.000 0.266 188 T C 2.066 176.690 174.700 -0.127 0.000 1.037 188 T CA 0.900 63.023 62.100 0.038 0.000 1.146 188 T CB -0.502 68.416 68.868 0.083 0.000 0.865 188 T HN 0.189 nan 8.240 nan 0.000 0.435 189 L N 0.775 121.856 121.223 -0.236 0.000 2.046 189 L HA -0.134 4.206 4.340 0.000 0.000 0.208 189 L C 2.687 179.280 176.870 -0.462 0.000 1.077 189 L CA 1.212 55.781 54.840 -0.451 0.000 0.747 189 L CB -0.393 41.418 42.059 -0.412 0.000 0.896 189 L HN 0.269 nan 8.230 nan 0.000 0.432 190 S N -0.552 115.063 115.700 -0.140 0.000 2.382 190 S HA -0.147 4.323 4.470 0.000 0.000 0.228 190 S C 1.865 176.372 174.600 -0.155 0.000 1.027 190 S CA 0.950 59.129 58.200 -0.036 0.000 0.991 190 S CB -0.061 63.328 63.200 0.314 0.000 0.823 190 S HN 0.308 nan 8.310 nan 0.000 0.469 191 K N 1.014 121.358 120.400 -0.093 0.000 2.097 191 K HA 0.068 4.388 4.320 0.000 0.000 0.205 191 K C 2.061 178.567 176.600 -0.157 0.000 1.050 191 K CA 0.757 56.996 56.287 -0.080 0.000 0.938 191 K CB -0.730 31.756 32.500 -0.023 0.000 0.718 191 K HN 0.276 nan 8.250 nan 0.000 0.442 192 V N 1.691 121.465 119.914 -0.234 0.000 2.548 192 V HA -0.127 3.993 4.120 0.000 0.000 0.249 192 V C 1.953 177.836 176.094 -0.351 0.000 1.055 192 V CA 1.398 63.550 62.300 -0.247 0.000 1.065 192 V CB -0.205 31.466 31.823 -0.253 0.000 0.681 192 V HN 0.193 nan 8.190 nan 0.000 0.462 193 K N -0.184 119.837 120.400 -0.631 0.000 2.393 193 K HA 0.235 4.555 4.320 0.000 0.000 0.193 193 K C 1.497 177.701 176.600 -0.662 0.000 1.026 193 K CA 0.829 56.598 56.287 -0.863 0.000 1.064 193 K CB 0.466 31.795 32.500 -1.952 0.000 0.833 193 K HN 0.530 nan 8.250 nan 0.000 0.521 194 G N 1.515 110.069 108.800 -0.411 0.000 2.136 194 G HA2 -0.167 3.793 3.960 0.000 0.000 0.242 194 G HA3 -0.167 3.793 3.960 0.000 0.000 0.242 194 G C -0.308 174.631 174.900 0.064 0.000 0.989 194 G CA -0.155 44.865 45.100 -0.133 0.000 0.682 194 G HN 0.076 nan 8.290 nan 0.000 0.522 195 W N 0.341 121.697 121.300 0.093 0.000 2.283 195 W HA 0.644 5.304 4.660 -0.000 0.000 0.341 195 W C 0.658 177.256 176.519 0.133 0.000 1.206 195 W CA -1.248 56.189 57.345 0.154 0.000 1.294 195 W CB 0.534 30.189 29.460 0.326 0.000 1.154 195 W HN -0.024 nan 8.180 nan 0.000 0.613 196 K N 1.752 122.364 120.400 0.353 0.000 2.263 196 K HA 0.468 4.788 4.320 0.000 0.000 0.272 196 K C -0.400 176.356 176.600 0.260 0.000 1.033 196 K CA -0.139 56.278 56.287 0.217 0.000 0.884 196 K CB 1.196 33.765 32.500 0.114 0.000 1.107 196 K HN 0.228 nan 8.250 nan 0.000 0.460 197 S N 0.999 116.852 115.700 0.255 0.000 2.599 197 S HA 0.865 5.335 4.470 0.000 0.000 0.287 197 S C -1.213 173.513 174.600 0.209 0.000 1.105 197 S CA -0.884 57.497 58.200 0.302 0.000 0.899 197 S CB 2.061 65.519 63.200 0.429 0.000 1.100 197 S HN 0.709 nan 8.310 nan 0.000 0.482 198 A N 0.789 123.768 122.820 0.264 0.000 2.557 198 A HA 0.932 5.252 4.320 0.000 0.000 0.292 198 A C -1.272 176.506 177.584 0.325 0.000 1.139 198 A CA -0.760 51.406 52.037 0.215 0.000 0.665 198 A CB 1.487 20.536 19.000 0.081 0.000 1.285 198 A HN 0.647 nan 8.150 nan 0.000 0.433 199 T N -0.125 114.598 114.554 0.282 0.000 3.012 199 T HA 0.574 4.924 4.350 0.000 0.000 0.330 199 T C -1.468 173.334 174.700 0.170 0.000 1.321 199 T CA -0.350 61.904 62.100 0.257 0.000 1.067 199 T CB 1.553 70.594 68.868 0.288 0.000 1.235 199 T HN 1.016 nan 8.240 nan 0.000 0.479 200 V N 3.590 123.620 119.914 0.192 0.000 2.735 200 V HA 0.682 4.802 4.120 0.000 0.000 0.310 200 V C -0.830 175.438 176.094 0.291 0.000 1.061 200 V CA -0.847 61.545 62.300 0.153 0.000 0.913 200 V CB 1.910 33.791 31.823 0.097 0.000 1.005 200 V HN 0.705 nan 8.190 nan 0.000 0.428 201 L N 3.616 124.976 121.223 0.228 0.000 2.381 201 L HA 0.695 5.035 4.340 0.000 0.000 0.268 201 L C -0.822 176.160 176.870 0.186 0.000 0.997 201 L CA -0.991 53.946 54.840 0.161 0.000 0.818 201 L CB 2.340 44.455 42.059 0.094 0.000 1.310 201 L HN 0.329 nan 8.230 nan 0.000 0.416 202 V N 2.748 122.689 119.914 0.045 0.000 2.407 202 V HA 0.237 4.357 4.120 0.000 0.000 0.278 202 V C 0.168 176.227 176.094 -0.058 0.000 1.037 202 V CA -0.714 61.571 62.300 -0.025 0.000 0.900 202 V CB 1.790 33.559 31.823 -0.089 0.000 0.983 202 V HN 0.414 nan 8.190 nan 0.000 0.459 203 V N 5.211 125.081 119.914 -0.074 0.000 2.415 203 V HA 0.113 4.233 4.120 0.000 0.000 0.267 203 V C 1.229 177.289 176.094 -0.058 0.000 1.042 203 V CA 0.665 62.936 62.300 -0.049 0.000 1.000 203 V CB 0.833 32.634 31.823 -0.037 0.000 1.015 203 V HN 1.108 nan 8.190 nan 0.000 0.478 204 S N 1.748 117.421 115.700 -0.045 0.000 2.540 204 S HA 0.225 4.695 4.470 0.000 0.000 0.218 204 S C 0.132 174.712 174.600 -0.033 0.000 0.977 204 S CA -0.124 58.053 58.200 -0.039 0.000 0.918 204 S CB 0.187 63.366 63.200 -0.035 0.000 0.806 204 S HN 0.767 nan 8.310 nan 0.000 0.496 205 D N 0.274 120.653 120.400 -0.034 0.000 2.648 205 D HA 0.342 4.982 4.640 0.000 0.000 0.244 205 D C -2.132 174.143 176.300 -0.041 0.000 1.244 205 D CA -0.412 53.566 54.000 -0.036 0.000 0.772 205 D CB 1.334 42.114 40.800 -0.034 0.000 1.379 205 D HN -0.014 nan 8.370 nan 0.000 0.428 206 N N 3.042 121.717 118.700 -0.041 0.000 2.491 206 N HA 0.237 4.977 4.740 0.000 0.000 0.274 206 N C 0.321 175.809 175.510 -0.036 0.000 1.023 206 N CA -0.342 52.680 53.050 -0.047 0.000 0.902 206 N CB 1.322 39.779 38.487 -0.051 0.000 1.267 206 N HN 0.496 nan 8.380 nan 0.000 0.503 207 L N 1.811 123.018 121.223 -0.026 0.000 2.465 207 L HA 0.077 4.417 4.340 0.000 0.000 0.224 207 L C 1.893 178.766 176.870 0.005 0.000 1.145 207 L CA 0.743 55.579 54.840 -0.007 0.000 0.834 207 L CB -0.072 42.007 42.059 0.034 0.000 0.944 207 L HN 0.504 nan 8.230 nan 0.000 0.451 208 A N -1.275 121.537 122.820 -0.013 0.000 2.220 208 A HA 0.130 4.450 4.320 0.000 0.000 0.211 208 A C 0.776 178.353 177.584 -0.012 0.000 1.176 208 A CA 0.330 52.359 52.037 -0.013 0.000 0.834 208 A CB 0.241 19.217 19.000 -0.040 0.000 0.868 208 A HN 0.010 nan 8.150 nan 0.000 0.488 209 K N -0.878 119.513 120.400 -0.015 0.000 2.378 209 K HA 0.389 4.709 4.320 0.000 0.000 0.252 209 K C 1.090 177.692 176.600 0.004 0.000 0.931 209 K CA 0.036 56.323 56.287 -0.001 0.000 0.794 209 K CB 1.511 34.012 32.500 0.001 0.000 1.181 209 K HN 0.070 nan 8.250 nan 0.000 0.425 210 G N 1.468 110.277 108.800 0.016 0.000 2.661 210 G HA2 -0.176 3.784 3.960 0.000 0.000 0.224 210 G HA3 -0.176 3.784 3.960 0.000 0.000 0.224 210 G C 0.589 175.491 174.900 0.002 0.000 1.114 210 G CA 1.340 46.450 45.100 0.015 0.000 0.751 210 G HN 0.869 nan 8.290 nan 0.000 0.609 211 G N -1.929 106.880 108.800 0.015 0.000 2.345 211 G HA2 0.356 4.316 3.960 0.000 0.000 0.310 211 G HA3 0.356 4.316 3.960 0.000 0.000 0.310 211 G C -1.380 173.547 174.900 0.045 0.000 1.476 211 G CA -0.633 44.462 45.100 -0.009 0.000 0.978 211 G HN 0.442 nan 8.290 nan 0.000 0.656 212 I N -0.655 119.931 120.570 0.027 0.000 2.689 212 I HA 0.459 4.629 4.170 0.000 0.000 0.299 212 I C -0.806 175.373 176.117 0.102 0.000 1.059 212 I CA -0.857 60.521 61.300 0.129 0.000 1.055 212 I CB 2.346 40.405 38.000 0.098 0.000 1.243 212 I HN 0.502 nan 8.210 nan 0.000 0.425 213 W N 7.145 128.450 121.300 0.009 0.000 2.422 213 W HA 0.463 5.123 4.660 0.000 0.000 0.349 213 W C 0.246 176.772 176.519 0.010 0.000 1.062 213 W CA -0.294 57.057 57.345 0.009 0.000 1.497 213 W CB 0.029 29.495 29.460 0.011 0.000 1.407 213 W HN 0.253 nan 8.180 nan 0.000 0.393 214 I N -0.056 120.591 120.570 0.128 0.000 3.654 214 I HA 0.892 5.062 4.170 0.000 0.000 0.278 214 I C 0.070 176.226 176.117 0.066 0.000 1.193 214 I CA -1.195 60.159 61.300 0.091 0.000 1.087 214 I CB 2.093 40.121 38.000 0.045 0.000 1.372 214 I HN 0.065 nan 8.210 nan 0.000 0.507 215 T N -2.500 112.082 114.554 0.047 0.000 2.916 215 T HA 0.408 4.758 4.350 0.000 0.000 0.305 215 T C 0.146 174.859 174.700 0.021 0.000 1.119 215 T CA -0.890 61.232 62.100 0.035 0.000 1.008 215 T CB 2.035 70.933 68.868 0.049 0.000 1.129 215 T HN 0.721 nan 8.240 nan 0.000 0.480 216 K N 0.837 121.243 120.400 0.011 0.000 2.189 216 K HA -0.223 4.097 4.320 0.000 0.000 0.207 216 K C 1.969 178.578 176.600 0.015 0.000 1.046 216 K CA 2.291 58.582 56.287 0.007 0.000 0.928 216 K CB -0.077 32.425 32.500 0.003 0.000 0.720 216 K HN 0.879 nan 8.250 nan 0.000 0.458 217 E N 0.416 120.629 120.200 0.023 0.000 2.385 217 E HA -0.109 4.241 4.350 0.000 0.000 0.194 217 E C 1.824 178.445 176.600 0.036 0.000 1.013 217 E CA 0.337 56.754 56.400 0.028 0.000 0.866 217 E CB 0.041 29.758 29.700 0.029 0.000 0.832 217 E HN 0.316 nan 8.360 nan 0.000 0.500 218 E N 1.528 121.750 120.200 0.037 0.000 2.158 218 E HA -0.115 4.235 4.350 0.000 0.000 0.191 218 E C 2.163 178.787 176.600 0.040 0.000 0.982 218 E CA 0.383 56.810 56.400 0.044 0.000 0.823 218 E CB 0.086 29.814 29.700 0.046 0.000 0.766 218 E HN 0.398 nan 8.360 nan 0.000 0.468 219 L N 0.847 122.086 121.223 0.027 0.000 2.109 219 L HA -0.122 4.218 4.340 0.000 0.000 0.207 219 L C 2.091 178.983 176.870 0.037 0.000 1.086 219 L CA 1.290 56.140 54.840 0.018 0.000 0.760 219 L CB -0.096 41.964 42.059 0.000 0.000 0.910 219 L HN 0.083 nan 8.230 nan 0.000 0.437 220 E N 0.114 120.336 120.200 0.037 0.000 2.038 220 E HA -0.323 4.027 4.350 0.000 0.000 0.195 220 E C 2.104 178.747 176.600 0.072 0.000 1.000 220 E CA 1.787 58.215 56.400 0.046 0.000 0.803 220 E CB -0.154 29.567 29.700 0.035 0.000 0.750 220 E HN 0.405 nan 8.360 nan 0.000 0.448 221 K N 0.674 121.118 120.400 0.073 0.000 2.057 221 K HA -0.170 4.150 4.320 0.000 0.000 0.207 221 K C 2.402 179.087 176.600 0.142 0.000 1.049 221 K CA 1.461 57.803 56.287 0.091 0.000 0.931 221 K CB -0.159 32.388 32.500 0.079 0.000 0.714 221 K HN -0.021 nan 8.250 nan 0.000 0.440 222 S N 0.092 115.877 115.700 0.142 0.000 2.359 222 S HA -0.128 4.342 4.470 0.000 0.000 0.224 222 S C 1.943 176.746 174.600 0.339 0.000 1.035 222 S CA 1.523 59.852 58.200 0.215 0.000 1.018 222 S CB -0.281 62.947 63.200 0.046 0.000 0.876 222 S HN 0.233 nan 8.310 nan 0.000 0.448 223 V N 2.361 122.413 119.914 0.230 0.000 2.287 223 V HA -0.189 3.931 4.120 0.000 0.000 0.248 223 V C 2.671 178.977 176.094 0.353 0.000 1.053 223 V CA 1.953 64.427 62.300 0.289 0.000 1.027 223 V CB -0.571 31.327 31.823 0.125 0.000 0.646 223 V HN 0.503 nan 8.190 nan 0.000 0.447 224 M N -0.454 119.271 119.600 0.208 0.000 2.086 224 M HA -0.155 4.325 4.480 0.000 0.000 0.261 224 M C 2.063 178.428 176.300 0.109 0.000 1.067 224 M CA 1.739 57.123 55.300 0.141 0.000 1.116 224 M CB -1.398 31.254 32.600 0.088 0.000 1.348 224 M HN 0.381 nan 8.290 nan 0.000 0.407 225 D N -0.021 120.459 120.400 0.132 0.000 2.104 225 D HA -0.118 4.522 4.640 0.000 0.000 0.194 225 D C 1.986 178.237 176.300 -0.082 0.000 0.994 225 D CA 1.769 55.800 54.000 0.051 0.000 0.830 225 D CB -0.656 40.220 40.800 0.126 0.000 0.959 225 D HN 0.454 nan 8.370 nan 0.000 0.452 226 G N 0.867 109.723 108.800 0.092 0.000 2.418 226 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 226 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 226 G C 1.758 176.380 174.900 -0.464 0.000 1.158 226 G CA 1.381 46.403 45.100 -0.130 0.000 0.771 226 G HN 0.403 nan 8.290 nan 0.000 0.545 227 A N 0.901 123.519 122.820 -0.337 0.000 1.948 227 A HA -0.095 4.225 4.320 0.000 0.000 0.220 227 A C 2.309 179.681 177.584 -0.353 0.000 1.177 227 A CA 2.131 53.911 52.037 -0.428 0.000 0.636 227 A CB -0.373 18.587 19.000 -0.068 0.000 0.815 227 A HN 0.423 nan 8.150 nan 0.000 0.449 228 K N -0.445 119.803 120.400 -0.252 0.000 2.097 228 K HA 0.008 4.328 4.320 0.000 0.000 0.205 228 K C 2.301 178.722 176.600 -0.297 0.000 1.050 228 K CA 1.029 57.199 56.287 -0.195 0.000 0.938 228 K CB -0.311 32.136 32.500 -0.088 0.000 0.718 228 K HN 0.440 nan 8.250 nan 0.000 0.442 229 A N 1.025 123.550 122.820 -0.492 0.000 1.933 229 A HA -0.112 4.208 4.320 0.000 0.000 0.218 229 A C 2.355 179.684 177.584 -0.424 0.000 1.175 229 A CA 1.322 52.960 52.037 -0.664 0.000 0.628 229 A CB -0.557 17.470 19.000 -1.621 0.000 0.814 229 A HN 0.065 nan 8.150 nan 0.000 0.444 230 V N 0.055 119.742 119.914 -0.379 0.000 2.379 230 V HA -0.213 3.907 4.120 0.000 0.000 0.245 230 V C 2.536 178.472 176.094 -0.264 0.000 1.044 230 V CA 1.752 63.914 62.300 -0.230 0.000 1.036 230 V CB -0.709 30.937 31.823 -0.295 0.000 0.664 230 V HN 0.566 nan 8.190 nan 0.000 0.453 231 L N -0.113 120.865 121.223 -0.408 0.000 2.079 231 L HA -0.203 4.137 4.340 0.000 0.000 0.210 231 L C 2.385 179.007 176.870 -0.413 0.000 1.081 231 L CA 1.548 56.012 54.840 -0.627 0.000 0.752 231 L CB -0.770 40.497 42.059 -1.320 0.000 0.896 231 L HN 0.368 nan 8.230 nan 0.000 0.433 232 D N -0.613 119.664 120.400 -0.204 0.000 2.117 232 D HA -0.146 4.494 4.640 0.000 0.000 0.197 232 D C 2.167 178.443 176.300 -0.039 0.000 0.987 232 D CA 1.701 55.702 54.000 0.001 0.000 0.829 232 D CB -0.279 40.505 40.800 -0.026 0.000 0.961 232 D HN 0.270 nan 8.370 nan 0.000 0.460 233 T N 1.260 115.764 114.554 -0.084 0.000 2.708 233 T HA -0.061 4.289 4.350 0.000 0.000 0.266 233 T C 2.227 176.897 174.700 -0.051 0.000 1.037 233 T CA 0.440 62.507 62.100 -0.054 0.000 1.146 233 T CB -0.369 68.477 68.868 -0.038 0.000 0.865 233 T HN 0.109 nan 8.240 nan 0.000 0.435 234 L N 1.345 122.520 121.223 -0.079 0.000 2.187 234 L HA -0.087 4.253 4.340 0.000 0.000 0.213 234 L C 2.359 179.201 176.870 -0.047 0.000 1.100 234 L CA 1.372 56.168 54.840 -0.073 0.000 0.765 234 L CB -0.623 41.370 42.059 -0.110 0.000 0.904 234 L HN 0.457 nan 8.230 nan 0.000 0.437 235 T N -4.489 110.052 114.554 -0.022 0.000 3.176 235 T HA 0.160 4.510 4.350 0.000 0.000 0.263 235 T C 0.724 175.438 174.700 0.024 0.000 1.021 235 T CA -0.044 62.074 62.100 0.028 0.000 0.905 235 T CB -0.088 68.858 68.868 0.129 0.000 1.057 235 T HN 0.244 nan 8.240 nan 0.000 0.558 236 S N 0.000 115.701 115.700 0.002 0.000 2.498 236 S HA 0.000 4.470 4.470 0.000 0.000 0.327 236 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 236 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 236 S HN 0.000 nan 8.310 nan 0.000 0.517