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 1kya_1_B DATA FIRST_RESID 1 DATA SEQUENCE GIGPVADLTI TNAAVSPDGF SRQAVVVNGG TPGPLITGNM GDRFQLNVID DATA SEQUENCE NLTNHTMLKS TSIHWHGFFQ KGTNWADGPA FINQcPISSG HSFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPAADLYDVD NDDTVITLVD DATA SEQUENCE WYHVAAKLGP AFPLGADATL INGKGRSPST TTADLSVISV TPGKRYRFRL DATA SEQUENCE VSLScDPNYT FSIDGHNMTI IETDSINTAP LVVDSIQIFA AQRYSFVLEA DATA SEQUENCE NQAVDNYWIR ANPNFGNVGF TGGINSAILR YDGAAAVEPT TTQTTSTAPL DATA SEQUENCE NEVNLHPLVA TAVPGSPVAG GVDLAINMAF NFNGTNFFIN GASFTPPTVP DATA SEQUENCE VLLQIISGAQ NAQDLLPSGS VYSLPSNADI EISFPATAAA PGAPHPFHLH DATA SEQUENCE GHAFAVVRSA GSTVYNYDNP IFRDVVSTGT PAAGDNVTIR FRTDNPGPWF DATA SEQUENCE LHCHIDFHLE AGFAVVFAED IPDVASANPV PQAWSDLcPT YDARDPSDQ 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.912 174.900 0.020 0.000 0.946 1 G CA 0.000 45.133 45.100 0.055 0.000 0.502 2 I N 0.082 120.649 120.570 -0.005 0.000 2.291 2 I HA 0.598 4.768 4.170 0.000 0.000 0.292 2 I C 1.047 177.125 176.117 -0.066 0.000 1.064 2 I CA -0.464 60.816 61.300 -0.033 0.000 1.269 2 I CB 0.387 38.366 38.000 -0.036 0.000 1.418 2 I HN 0.787 nan 8.210 nan 0.000 0.485 3 G N 6.724 115.485 108.800 -0.064 0.000 3.365 3 G HA2 -0.077 3.883 3.960 0.000 0.000 0.238 3 G HA3 -0.077 3.883 3.960 0.000 0.000 0.238 3 G C -1.433 173.358 174.900 -0.182 0.000 1.264 3 G CA -0.439 44.598 45.100 -0.105 0.000 0.876 3 G HN 0.617 nan 8.290 nan 0.000 0.610 4 P HA -0.073 nan 4.420 nan 0.000 0.217 4 P C 0.726 177.776 177.300 -0.415 0.000 1.148 4 P CA 1.588 64.300 63.100 -0.646 0.000 0.834 4 P CB -0.102 31.076 31.700 -0.870 0.000 0.783 5 V N -3.999 115.749 119.914 -0.276 0.000 2.384 5 V HA 0.864 4.984 4.120 0.000 0.000 0.287 5 V C -0.516 175.499 176.094 -0.133 0.000 1.020 5 V CA -0.997 61.184 62.300 -0.198 0.000 0.850 5 V CB 0.817 32.538 31.823 -0.170 0.000 0.987 5 V HN 0.076 nan 8.190 nan 0.000 0.436 6 A N 3.574 126.331 122.820 -0.105 0.000 2.601 6 A HA 0.729 5.049 4.320 0.000 0.000 0.291 6 A C -1.521 176.047 177.584 -0.028 0.000 1.075 6 A CA -0.734 51.264 52.037 -0.065 0.000 0.671 6 A CB 1.599 20.556 19.000 -0.072 0.000 1.277 6 A HN 0.768 nan 8.150 nan 0.000 0.417 7 D N 0.848 121.249 120.400 0.000 0.000 2.163 7 D HA 0.559 5.199 4.640 0.000 0.000 0.248 7 D C -0.857 175.479 176.300 0.060 0.000 1.035 7 D CA 0.122 54.145 54.000 0.038 0.000 0.872 7 D CB 1.669 42.493 40.800 0.040 0.000 1.183 7 D HN 0.395 nan 8.370 nan 0.000 0.445 8 L N 2.071 123.357 121.223 0.104 0.000 2.384 8 L HA 0.230 4.570 4.340 0.000 0.000 0.261 8 L C -0.035 176.929 176.870 0.156 0.000 1.024 8 L CA -0.516 54.401 54.840 0.129 0.000 0.899 8 L CB 1.236 43.389 42.059 0.155 0.000 1.243 8 L HN 0.100 nan 8.230 nan 0.000 0.449 9 T N 4.017 118.650 114.554 0.130 0.000 2.723 9 T HA 0.378 4.728 4.350 0.000 0.000 0.297 9 T C 0.327 175.112 174.700 0.142 0.000 0.925 9 T CA -0.255 61.922 62.100 0.128 0.000 1.030 9 T CB 0.544 69.471 68.868 0.098 0.000 0.905 9 T HN 0.153 nan 8.240 nan 0.000 0.502 10 I N 5.067 125.731 120.570 0.157 0.000 2.325 10 I HA 0.401 4.571 4.170 0.000 0.000 0.291 10 I C 1.016 177.217 176.117 0.139 0.000 1.019 10 I CA -0.462 60.935 61.300 0.163 0.000 1.302 10 I CB 0.173 38.283 38.000 0.184 0.000 1.401 10 I HN 0.695 nan 8.210 nan 0.000 0.485 11 T N 2.735 117.368 114.554 0.131 0.000 2.778 11 T HA 0.520 4.870 4.350 0.000 0.000 0.293 11 T C -0.489 174.282 174.700 0.118 0.000 1.144 11 T CA -1.014 61.154 62.100 0.114 0.000 1.010 11 T CB 1.730 70.656 68.868 0.096 0.000 1.325 11 T HN 0.460 nan 8.240 nan 0.000 0.515 12 N N -0.416 118.347 118.700 0.105 0.000 2.466 12 N HA 0.760 5.500 4.740 0.000 0.000 0.294 12 N C -0.997 174.570 175.510 0.094 0.000 1.129 12 N CA -0.673 52.441 53.050 0.106 0.000 0.931 12 N CB 1.767 40.312 38.487 0.097 0.000 1.193 12 N HN 1.061 nan 8.380 nan 0.000 0.500 13 A N 0.343 123.223 122.820 0.100 0.000 2.594 13 A HA 0.702 5.022 4.320 0.000 0.000 0.296 13 A C -1.399 176.238 177.584 0.088 0.000 1.056 13 A CA -0.762 51.325 52.037 0.082 0.000 0.693 13 A CB 0.572 19.617 19.000 0.076 0.000 1.278 13 A HN 0.681 nan 8.150 nan 0.000 0.408 14 A N 0.419 123.276 122.820 0.060 0.000 2.401 14 A HA 0.656 4.976 4.320 0.000 0.000 0.259 14 A C -0.020 177.595 177.584 0.051 0.000 1.103 14 A CA 0.005 52.071 52.037 0.048 0.000 0.789 14 A CB 0.506 19.513 19.000 0.011 0.000 1.035 14 A HN 2.182 nan 8.150 nan 0.000 0.491 15 V N 1.743 121.701 119.914 0.073 0.000 3.188 15 V HA 0.776 4.896 4.120 0.000 0.000 0.305 15 V C -0.318 175.812 176.094 0.060 0.000 1.232 15 V CA 0.311 62.645 62.300 0.056 0.000 1.043 15 V CB 2.821 34.681 31.823 0.061 0.000 1.068 15 V HN 1.560 nan 8.190 nan 0.000 0.439 16 S N 2.597 118.304 115.700 0.012 0.000 2.606 16 S HA 0.384 4.855 4.470 0.000 0.000 0.156 16 S C -1.863 172.730 174.600 -0.011 0.000 1.308 16 S CA -0.275 57.945 58.200 0.035 0.000 1.228 16 S CB 1.040 64.244 63.200 0.007 0.000 1.568 16 S HN 0.695 nan 8.310 nan 0.000 0.397 17 P HA -0.095 nan 4.420 nan 0.000 0.221 17 P C 0.416 177.682 177.300 -0.058 0.000 1.145 17 P CA 1.488 64.481 63.100 -0.178 0.000 0.795 17 P CB -0.036 31.395 31.700 -0.448 0.000 0.775 18 D N -2.512 117.921 120.400 0.056 0.000 2.479 18 D HA 0.167 4.808 4.640 0.000 0.000 0.218 18 D C 1.323 177.725 176.300 0.170 0.000 1.177 18 D CA 0.204 54.288 54.000 0.140 0.000 0.830 18 D CB -0.052 40.904 40.800 0.261 0.000 1.014 18 D HN 0.247 nan 8.370 nan 0.000 0.503 19 G N 0.377 109.258 108.800 0.135 0.000 2.232 19 G HA2 -0.245 3.715 3.960 0.000 0.000 0.226 19 G HA3 -0.245 3.715 3.960 0.000 0.000 0.226 19 G C -0.203 174.787 174.900 0.151 0.000 0.996 19 G CA -0.068 45.105 45.100 0.122 0.000 0.626 19 G HN 0.357 nan 8.290 nan 0.000 0.509 20 F N 3.056 123.013 119.950 0.012 0.000 2.405 20 F HA 0.733 5.260 4.527 0.000 0.000 0.355 20 F C 0.585 176.376 175.800 -0.014 0.000 1.121 20 F CA -0.606 57.335 58.000 -0.100 0.000 1.112 20 F CB 1.668 40.379 39.000 -0.483 0.000 1.126 20 F HN 0.112 nan 8.300 nan 0.000 0.481 21 S N 6.169 121.486 115.700 -0.637 0.000 2.528 21 S HA 0.649 5.120 4.470 0.000 0.000 0.277 21 S C -0.566 173.677 174.600 -0.595 0.000 1.297 21 S CA -0.456 57.480 58.200 -0.441 0.000 1.052 21 S CB 0.030 63.044 63.200 -0.311 0.000 0.917 21 S HN 0.824 nan 8.310 nan 0.000 0.492 22 R N 2.998 123.404 120.500 -0.157 0.000 2.594 22 R HA 0.399 4.739 4.340 0.000 0.000 0.265 22 R C -1.468 174.900 176.300 0.113 0.000 1.070 22 R CA -0.848 55.242 56.100 -0.016 0.000 0.909 22 R CB 0.338 30.738 30.300 0.168 0.000 1.243 22 R HN 0.411 nan 8.270 nan 0.000 0.455 23 Q N 1.102 120.957 119.800 0.091 0.000 2.392 23 Q HA 0.600 4.940 4.340 0.000 0.000 0.262 23 Q C -0.375 175.732 176.000 0.178 0.000 1.003 23 Q CA 0.645 56.516 55.803 0.114 0.000 0.888 23 Q CB 1.569 30.356 28.738 0.082 0.000 1.260 23 Q HN 0.835 nan 8.270 nan 0.000 0.435 24 A N 1.204 124.143 122.820 0.199 0.000 2.557 24 A HA 0.565 4.885 4.320 0.000 0.000 0.292 24 A C -1.330 176.381 177.584 0.212 0.000 1.139 24 A CA -0.649 51.542 52.037 0.257 0.000 0.665 24 A CB 1.021 20.297 19.000 0.461 0.000 1.285 24 A HN 0.337 nan 8.150 nan 0.000 0.433 25 V N 0.688 120.741 119.914 0.231 0.000 2.406 25 V HA 0.517 4.637 4.120 0.000 0.000 0.272 25 V C -0.209 176.009 176.094 0.206 0.000 1.043 25 V CA -0.307 62.112 62.300 0.198 0.000 0.915 25 V CB 0.901 32.840 31.823 0.194 0.000 0.988 25 V HN 0.658 nan 8.190 nan 0.000 0.466 26 V N 5.643 125.660 119.914 0.172 0.000 2.715 26 V HA 0.546 4.666 4.120 0.000 0.000 0.310 26 V C -0.455 175.736 176.094 0.161 0.000 1.054 26 V CA -0.485 61.908 62.300 0.155 0.000 0.928 26 V CB 2.664 34.561 31.823 0.123 0.000 1.007 26 V HN 0.611 nan 8.190 nan 0.000 0.437 27 V N 5.005 125.021 119.914 0.170 0.000 2.357 27 V HA 0.453 4.573 4.120 0.000 0.000 0.284 27 V C 0.268 176.455 176.094 0.155 0.000 1.018 27 V CA -0.694 61.723 62.300 0.195 0.000 0.841 27 V CB 1.072 33.067 31.823 0.287 0.000 0.991 27 V HN 0.992 nan 8.190 nan 0.000 0.437 28 N N 4.098 122.876 118.700 0.131 0.000 2.708 28 N HA -0.225 4.515 4.740 0.000 0.000 0.249 28 N C 1.138 176.699 175.510 0.084 0.000 1.097 28 N CA 1.874 54.984 53.050 0.100 0.000 0.710 28 N CB -1.168 37.377 38.487 0.096 0.000 1.032 28 N HN 1.458 nan 8.380 nan 0.000 0.551 29 G N -3.276 105.575 108.800 0.086 0.000 2.254 29 G HA2 -0.061 3.899 3.960 0.000 0.000 0.225 29 G HA3 -0.061 3.899 3.960 0.000 0.000 0.225 29 G C 0.299 175.236 174.900 0.062 0.000 1.003 29 G CA 0.322 45.463 45.100 0.068 0.000 0.622 29 G HN 1.001 nan 8.290 nan 0.000 0.507 30 G N -1.115 107.727 108.800 0.070 0.000 2.519 30 G HA2 0.608 4.568 3.960 0.000 0.000 0.307 30 G HA3 0.608 4.568 3.960 0.000 0.000 0.307 30 G C 0.577 175.512 174.900 0.058 0.000 1.266 30 G CA 0.983 46.110 45.100 0.046 0.000 0.970 30 G HN 0.276 nan 8.290 nan 0.000 0.481 31 T N 1.489 116.048 114.554 0.007 0.000 2.643 31 T HA 0.032 4.382 4.350 0.000 0.000 0.256 31 T C -1.554 173.157 174.700 0.019 0.000 1.061 31 T CA 1.002 63.112 62.100 0.018 0.000 1.163 31 T CB -0.647 68.144 68.868 -0.127 0.000 0.865 31 T HN 0.251 nan 8.240 nan 0.000 0.407 32 P HA 0.147 nan 4.420 nan 0.000 0.252 32 P C 0.304 177.625 177.300 0.035 0.000 1.183 32 P CA 0.075 63.161 63.100 -0.025 0.000 0.973 32 P CB -0.321 31.340 31.700 -0.066 0.000 0.990 33 G N 5.768 114.608 108.800 0.066 0.000 2.771 33 G HA2 0.087 4.047 3.960 0.000 0.000 0.242 33 G HA3 0.087 4.047 3.960 0.000 0.000 0.242 33 G C -2.355 172.685 174.900 0.232 0.000 1.233 33 G CA -0.735 44.484 45.100 0.199 0.000 0.858 33 G HN 0.262 nan 8.290 nan 0.000 0.591 34 P HA 0.122 nan 4.420 nan 0.000 0.268 34 P C -0.019 177.425 177.300 0.239 0.000 1.205 34 P CA -0.574 62.641 63.100 0.192 0.000 0.771 34 P CB 0.727 32.511 31.700 0.139 0.000 0.858 35 L N 4.667 125.985 121.223 0.158 0.000 2.477 35 L HA 0.178 4.518 4.340 0.000 0.000 0.272 35 L C -0.596 176.316 176.870 0.069 0.000 1.157 35 L CA 0.455 55.386 54.840 0.151 0.000 0.889 35 L CB -0.779 41.348 42.059 0.113 0.000 1.158 35 L HN 0.235 nan 8.230 nan 0.000 0.473 36 I N 5.329 125.894 120.570 -0.009 0.000 2.353 36 I HA 0.427 4.597 4.170 0.000 0.000 0.293 36 I C 0.337 176.247 176.117 -0.344 0.000 0.992 36 I CA -0.254 60.856 61.300 -0.316 0.000 1.268 36 I CB 1.436 38.964 38.000 -0.787 0.000 1.387 36 I HN 0.808 nan 8.210 nan 0.000 0.478 37 T N 1.841 116.300 114.554 -0.159 0.000 2.865 37 T HA 0.939 5.289 4.350 0.000 0.000 0.294 37 T C -0.390 174.430 174.700 0.201 0.000 1.119 37 T CA -0.828 61.304 62.100 0.054 0.000 1.007 37 T CB 2.363 71.368 68.868 0.228 0.000 1.225 37 T HN 0.905 nan 8.240 nan 0.000 0.515 38 G N 0.593 109.596 108.800 0.338 0.000 2.349 38 G HA2 0.485 4.445 3.960 0.000 0.000 0.294 38 G HA3 0.485 4.445 3.960 0.000 0.000 0.294 38 G C -2.081 173.033 174.900 0.356 0.000 1.380 38 G CA -0.948 44.328 45.100 0.294 0.000 0.811 38 G HN 0.810 nan 8.290 nan 0.000 0.519 39 N N 0.072 118.904 118.700 0.220 0.000 2.443 39 N HA 0.423 5.163 4.740 0.000 0.000 0.293 39 N C 0.248 175.883 175.510 0.209 0.000 1.159 39 N CA -0.703 52.482 53.050 0.225 0.000 0.904 39 N CB 1.902 40.472 38.487 0.138 0.000 1.214 39 N HN 0.740 nan 8.380 nan 0.000 0.513 40 M N 0.771 120.490 119.600 0.199 0.000 2.261 40 M HA 0.082 4.562 4.480 0.000 0.000 0.350 40 M C 0.971 177.343 176.300 0.120 0.000 1.343 40 M CA 1.492 56.895 55.300 0.171 0.000 1.003 40 M CB -0.307 32.382 32.600 0.147 0.000 1.848 40 M HN 0.895 nan 8.290 nan 0.000 0.456 41 G N 3.145 112.013 108.800 0.115 0.000 2.254 41 G HA2 -0.218 3.742 3.960 0.000 0.000 0.225 41 G HA3 -0.218 3.742 3.960 0.000 0.000 0.225 41 G C -0.275 174.636 174.900 0.017 0.000 1.003 41 G CA 0.101 45.239 45.100 0.063 0.000 0.622 41 G HN 0.706 nan 8.290 nan 0.000 0.507 42 D N 0.502 120.898 120.400 -0.006 0.000 2.419 42 D HA 0.397 5.037 4.640 0.000 0.000 0.236 42 D C 0.848 177.002 176.300 -0.243 0.000 1.165 42 D CA 0.146 54.027 54.000 -0.199 0.000 0.882 42 D CB 0.449 40.994 40.800 -0.425 0.000 1.201 42 D HN 0.426 nan 8.370 nan 0.000 0.443 43 R N 1.942 122.227 120.500 -0.358 0.000 2.207 43 R HA 0.242 4.583 4.340 0.000 0.000 0.334 43 R C -0.926 175.021 176.300 -0.588 0.000 1.013 43 R CA -0.534 55.365 56.100 -0.336 0.000 0.858 43 R CB 0.147 30.314 30.300 -0.222 0.000 1.094 43 R HN 0.197 nan 8.270 nan 0.000 0.457 44 F N 2.804 122.354 119.950 -0.666 0.000 2.411 44 F HA 0.258 4.785 4.527 0.000 0.000 0.350 44 F C 0.480 175.835 175.800 -0.741 0.000 1.114 44 F CA -0.166 57.356 58.000 -0.797 0.000 1.135 44 F CB 1.696 39.969 39.000 -1.212 0.000 1.120 44 F HN 0.332 nan 8.300 nan 0.000 0.495 45 Q N 5.022 124.601 119.800 -0.368 0.000 2.674 45 Q HA 0.390 4.730 4.340 0.000 0.000 0.249 45 Q C -1.300 174.591 176.000 -0.182 0.000 1.011 45 Q CA -0.297 55.355 55.803 -0.251 0.000 0.734 45 Q CB 1.474 30.096 28.738 -0.193 0.000 1.201 45 Q HN 0.594 nan 8.270 nan 0.000 0.498 46 L N 2.085 123.207 121.223 -0.169 0.000 2.262 46 L HA 0.379 4.719 4.340 0.000 0.000 0.288 46 L C -0.031 176.901 176.870 0.103 0.000 1.035 46 L CA -0.747 54.053 54.840 -0.066 0.000 0.820 46 L CB 0.519 42.463 42.059 -0.193 0.000 1.204 46 L HN 0.345 nan 8.230 nan 0.000 0.424 47 N N 2.941 121.689 118.700 0.080 0.000 2.406 47 N HA 0.212 4.952 4.740 0.000 0.000 0.251 47 N C -0.854 174.777 175.510 0.202 0.000 1.069 47 N CA -0.280 52.840 53.050 0.116 0.000 0.947 47 N CB 1.196 39.715 38.487 0.053 0.000 1.111 47 N HN 0.253 nan 8.380 nan 0.000 0.497 48 V N 5.793 125.900 119.914 0.321 0.000 2.368 48 V HA 0.276 4.396 4.120 0.000 0.000 0.266 48 V C 0.483 176.745 176.094 0.280 0.000 1.045 48 V CA -0.482 62.031 62.300 0.354 0.000 0.899 48 V CB 0.127 32.273 31.823 0.539 0.000 1.006 48 V HN 0.564 nan 8.190 nan 0.000 0.470 49 I N 4.177 124.874 120.570 0.213 0.000 2.291 49 I HA 0.258 4.428 4.170 0.000 0.000 0.290 49 I C 0.006 176.228 176.117 0.175 0.000 1.050 49 I CA -0.303 61.102 61.300 0.175 0.000 1.245 49 I CB 1.092 39.169 38.000 0.128 0.000 1.405 49 I HN 0.488 nan 8.210 nan 0.000 0.478 50 D N 6.572 127.085 120.400 0.187 0.000 2.393 50 D HA 0.110 4.750 4.640 0.000 0.000 0.232 50 D C 0.009 176.391 176.300 0.137 0.000 1.192 50 D CA 0.023 54.129 54.000 0.175 0.000 0.882 50 D CB 0.502 41.421 40.800 0.199 0.000 1.038 50 D HN 0.328 nan 8.370 nan 0.000 0.499 51 N N 4.113 122.885 118.700 0.121 0.000 2.467 51 N HA 0.153 4.893 4.740 0.000 0.000 0.278 51 N C -0.163 175.406 175.510 0.099 0.000 1.306 51 N CA -0.273 52.834 53.050 0.095 0.000 0.905 51 N CB 0.376 38.912 38.487 0.081 0.000 1.236 51 N HN 0.418 nan 8.380 nan 0.000 0.509 52 L N 0.236 121.528 121.223 0.115 0.000 2.452 52 L HA 0.206 4.546 4.340 0.000 0.000 0.267 52 L C 1.568 178.500 176.870 0.104 0.000 1.188 52 L CA 0.344 55.253 54.840 0.115 0.000 0.821 52 L CB 0.749 42.887 42.059 0.131 0.000 1.102 52 L HN 0.200 nan 8.230 nan 0.000 0.470 53 T N -3.873 110.740 114.554 0.099 0.000 3.080 53 T HA 0.098 4.448 4.350 0.000 0.000 0.280 53 T C 0.444 175.205 174.700 0.101 0.000 0.926 53 T CA -0.366 61.788 62.100 0.091 0.000 0.883 53 T CB 0.013 68.925 68.868 0.073 0.000 1.194 53 T HN 0.351 nan 8.240 nan 0.000 0.541 54 N N 1.857 120.621 118.700 0.107 0.000 2.500 54 N HA 0.206 4.946 4.740 0.000 0.000 0.236 54 N C 0.604 176.188 175.510 0.123 0.000 1.022 54 N CA -0.003 53.112 53.050 0.108 0.000 0.935 54 N CB 1.031 39.572 38.487 0.089 0.000 1.147 54 N HN 0.374 nan 8.380 nan 0.000 0.512 55 H N 2.543 121.649 119.070 0.060 0.000 2.352 55 H HA -0.139 4.417 4.556 0.000 0.000 0.299 55 H C 1.688 177.052 175.328 0.061 0.000 1.097 55 H CA 2.785 58.869 56.048 0.060 0.000 1.311 55 H CB 0.139 29.929 29.762 0.046 0.000 1.377 55 H HN 0.564 nan 8.280 nan 0.000 0.504 56 T N -2.211 112.272 114.554 -0.118 0.000 2.897 56 T HA -0.159 4.192 4.350 0.000 0.000 0.271 56 T C 1.737 176.369 174.700 -0.113 0.000 1.084 56 T CA 1.604 63.609 62.100 -0.158 0.000 1.123 56 T CB -0.203 68.648 68.868 -0.027 0.000 0.865 56 T HN 0.406 nan 8.240 nan 0.000 0.496 57 M N 0.497 120.068 119.600 -0.049 0.000 2.333 57 M HA 0.431 4.911 4.480 0.000 0.000 0.257 57 M C -0.438 175.871 176.300 0.014 0.000 1.078 57 M CA -0.139 55.160 55.300 -0.001 0.000 1.005 57 M CB 0.334 32.963 32.600 0.050 0.000 1.444 57 M HN 0.116 nan 8.290 nan 0.000 0.496 58 L N 1.411 122.620 121.223 -0.023 0.000 2.706 58 L HA -0.231 4.109 4.340 0.000 0.000 0.666 58 L C 0.703 177.648 176.870 0.125 0.000 1.021 58 L CA -0.194 54.671 54.840 0.041 0.000 1.360 58 L CB -0.807 41.289 42.059 0.063 0.000 1.957 58 L HN 0.399 nan 8.230 nan 0.000 0.920 59 K N -0.331 120.166 120.400 0.161 0.000 2.374 59 K HA -0.128 4.192 4.320 0.000 0.000 0.202 59 K C 0.919 177.628 176.600 0.181 0.000 1.044 59 K CA 1.312 57.700 56.287 0.168 0.000 0.933 59 K CB -0.102 32.502 32.500 0.175 0.000 0.745 59 K HN 0.511 nan 8.250 nan 0.000 0.474 60 S N -0.263 115.560 115.700 0.206 0.000 2.672 60 S HA 0.349 4.819 4.470 0.000 0.000 0.276 60 S C 0.042 174.740 174.600 0.162 0.000 1.207 60 S CA -0.722 57.606 58.200 0.214 0.000 1.002 60 S CB 2.020 65.410 63.200 0.317 0.000 0.998 60 S HN 0.148 nan 8.310 nan 0.000 0.542 61 T N 0.135 114.769 114.554 0.133 0.000 2.786 61 T HA 0.601 4.951 4.350 0.000 0.000 0.316 61 T C -1.826 172.937 174.700 0.105 0.000 1.503 61 T CA -0.442 61.733 62.100 0.126 0.000 1.019 61 T CB 1.583 70.551 68.868 0.165 0.000 1.415 61 T HN 0.531 nan 8.240 nan 0.000 0.496 62 S N 1.757 117.523 115.700 0.109 0.000 2.543 62 S HA 0.734 5.205 4.470 0.000 0.000 0.271 62 S C -1.689 172.949 174.600 0.064 0.000 1.148 62 S CA -0.638 57.639 58.200 0.129 0.000 0.914 62 S CB 0.692 63.903 63.200 0.019 0.000 1.096 62 S HN 0.623 nan 8.310 nan 0.000 0.471 63 I N 3.954 124.495 120.570 -0.048 0.000 2.433 63 I HA 0.385 4.555 4.170 0.000 0.000 0.292 63 I C -0.466 175.094 176.117 -0.929 0.000 1.001 63 I CA -0.761 60.241 61.300 -0.498 0.000 1.119 63 I CB 1.821 39.424 38.000 -0.661 0.000 1.289 63 I HN 0.725 nan 8.210 nan 0.000 0.438 64 H N 5.308 123.807 119.070 -0.953 0.000 2.463 64 H HA 0.400 4.956 4.556 0.000 0.000 0.332 64 H C -1.662 172.940 175.328 -1.209 0.000 1.127 64 H CA -0.752 54.749 56.048 -0.912 0.000 1.238 64 H CB 0.945 30.481 29.762 -0.377 0.000 1.478 64 H HN 0.387 nan 8.280 nan 0.000 0.499 65 W N 4.824 125.513 121.300 -1.018 0.000 2.309 65 W HA 0.211 4.871 4.660 0.000 0.000 0.332 65 W C -0.214 175.731 176.519 -0.955 0.000 0.962 65 W CA -0.923 55.997 57.345 -0.708 0.000 1.497 65 W CB -0.210 28.924 29.460 -0.544 0.000 1.308 65 W HN 0.682 nan 8.180 nan 0.000 0.384 66 H N 1.977 120.516 119.070 -0.885 0.000 3.145 66 H HA 0.297 4.853 4.556 0.000 0.000 0.288 66 H C 1.368 176.528 175.328 -0.280 0.000 0.969 66 H CA 2.091 57.813 56.048 -0.543 0.000 1.444 66 H CB 0.313 29.638 29.762 -0.728 0.000 1.500 66 H HN 0.794 nan 8.280 nan 0.000 0.552 67 G N 3.946 112.693 108.800 -0.087 0.000 2.339 67 G HA2 -0.264 3.696 3.960 0.000 0.000 0.209 67 G HA3 -0.264 3.696 3.960 0.000 0.000 0.209 67 G C -0.122 174.568 174.900 -0.349 0.000 1.015 67 G CA -0.150 44.917 45.100 -0.055 0.000 0.635 67 G HN 0.498 nan 8.290 nan 0.000 0.499 68 F N 1.766 121.520 119.950 -0.327 0.000 2.538 68 F HA 0.574 5.101 4.527 0.000 0.000 0.371 68 F C 1.477 177.054 175.800 -0.371 0.000 1.087 68 F CA -0.554 57.104 58.000 -0.571 0.000 1.250 68 F CB 0.312 38.852 39.000 -0.767 0.000 1.110 68 F HN -0.018 nan 8.300 nan 0.000 0.570 69 F N 0.129 120.047 119.950 -0.054 0.000 2.293 69 F HA -0.114 4.413 4.527 0.000 0.000 0.300 69 F C 1.477 177.175 175.800 -0.171 0.000 1.086 69 F CA 0.447 58.318 58.000 -0.215 0.000 1.375 69 F CB -0.775 38.107 39.000 -0.197 0.000 1.045 69 F HN 0.403 nan 8.300 nan 0.000 0.516 70 Q N 0.156 119.996 119.800 0.066 0.000 2.480 70 Q HA -0.281 4.059 4.340 0.000 0.000 0.265 70 Q C 0.328 176.429 176.000 0.169 0.000 1.072 70 Q CA 0.676 56.500 55.803 0.036 0.000 1.018 70 Q CB -1.889 26.896 28.738 0.078 0.000 1.433 70 Q HN 0.513 nan 8.270 nan 0.000 0.513 71 K N 0.257 120.758 120.400 0.168 0.000 2.453 71 K HA 0.143 4.463 4.320 0.000 0.000 0.280 71 K C 1.270 177.956 176.600 0.144 0.000 1.045 71 K CA 1.288 57.682 56.287 0.178 0.000 1.059 71 K CB -0.128 32.455 32.500 0.137 0.000 0.901 71 K HN 0.438 nan 8.250 nan 0.000 0.475 72 G N 2.659 111.549 108.800 0.151 0.000 2.199 72 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 72 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 72 G C 0.291 175.254 174.900 0.105 0.000 0.982 72 G CA 0.559 45.732 45.100 0.122 0.000 0.632 72 G HN 0.745 nan 8.290 nan 0.000 0.529 73 T N -2.216 112.337 114.554 -0.002 0.000 3.533 73 T HA 0.414 4.764 4.350 0.000 0.000 0.275 73 T C 0.800 175.203 174.700 -0.494 0.000 1.000 73 T CA 0.629 62.524 62.100 -0.342 0.000 1.015 73 T CB 0.381 69.027 68.868 -0.370 0.000 1.153 73 T HN 0.206 nan 8.240 nan 0.000 0.504 74 N N 1.561 120.127 118.700 -0.224 0.000 2.272 74 N HA -0.121 4.620 4.740 0.000 0.000 0.185 74 N C 1.688 177.047 175.510 -0.251 0.000 1.014 74 N CA 1.908 54.792 53.050 -0.277 0.000 0.870 74 N CB -0.249 37.988 38.487 -0.417 0.000 0.975 74 N HN 0.828 nan 8.380 nan 0.000 0.433 75 W N -1.207 119.990 121.300 -0.173 0.000 2.699 75 W HA 0.248 4.908 4.660 0.000 0.000 0.249 75 W C 0.822 177.467 176.519 0.210 0.000 1.280 75 W CA 0.473 57.705 57.345 -0.188 0.000 1.345 75 W CB -0.587 28.362 29.460 -0.853 0.000 1.128 75 W HN 0.096 nan 8.180 nan 0.000 0.642 76 A N 0.629 123.202 122.820 -0.412 0.000 2.387 76 A HA 0.067 4.387 4.320 0.000 0.000 0.234 76 A C 1.354 179.117 177.584 0.297 0.000 1.253 76 A CA 0.572 52.620 52.037 0.019 0.000 0.894 76 A CB -0.584 18.078 19.000 -0.562 0.000 0.963 76 A HN 0.104 nan 8.150 nan 0.000 0.508 77 D N -0.503 119.999 120.400 0.170 0.000 2.178 77 D HA 0.100 4.740 4.640 0.000 0.000 0.202 77 D C 1.673 178.140 176.300 0.279 0.000 0.974 77 D CA 2.277 56.437 54.000 0.267 0.000 0.841 77 D CB 0.090 41.046 40.800 0.260 0.000 0.953 77 D HN 0.538 nan 8.370 nan 0.000 0.478 78 G N -0.995 107.927 108.800 0.203 0.000 2.397 78 G HA2 -0.231 3.729 3.960 0.000 0.000 0.211 78 G HA3 -0.231 3.729 3.960 0.000 0.000 0.211 78 G C -1.841 172.997 174.900 -0.104 0.000 1.077 78 G CA -0.205 44.944 45.100 0.082 0.000 0.649 78 G HN 0.297 nan 8.290 nan 0.000 0.511 79 P HA 0.368 nan 4.420 nan 0.000 0.253 79 P C 0.395 177.494 177.300 -0.334 0.000 1.159 79 P CA 1.109 63.829 63.100 -0.632 0.000 0.779 79 P CB 0.455 31.608 31.700 -0.912 0.000 0.745 80 A N 4.645 127.344 122.820 -0.201 0.000 2.520 80 A HA 0.236 4.556 4.320 0.000 0.000 0.245 80 A C 0.522 177.923 177.584 -0.305 0.000 1.072 80 A CA 0.068 51.864 52.037 -0.402 0.000 0.761 80 A CB -1.092 17.691 19.000 -0.362 0.000 1.004 80 A HN 0.615 nan 8.150 nan 0.000 0.499 81 F N -0.281 119.579 119.950 -0.149 0.000 2.794 81 F HA -0.253 4.274 4.527 0.000 0.000 0.335 81 F C 0.695 176.422 175.800 -0.122 0.000 0.653 81 F CA 1.113 59.042 58.000 -0.119 0.000 1.266 81 F CB -1.966 36.994 39.000 -0.067 0.000 1.666 81 F HN 0.456 nan 8.300 nan 0.000 0.314 82 I N -0.878 119.611 120.570 -0.135 0.000 3.366 82 I HA 0.109 4.279 4.170 0.000 0.000 0.267 82 I C 1.470 177.494 176.117 -0.154 0.000 1.149 82 I CA 1.332 62.484 61.300 -0.246 0.000 1.436 82 I CB -0.257 37.356 38.000 -0.644 0.000 1.379 82 I HN 0.027 nan 8.210 nan 0.000 0.460 83 N N -0.273 118.349 118.700 -0.131 0.000 2.171 83 N HA 0.213 4.953 4.740 0.000 0.000 0.212 83 N C -0.387 175.319 175.510 0.327 0.000 1.184 83 N CA -0.222 52.859 53.050 0.052 0.000 0.888 83 N CB 0.623 39.094 38.487 -0.025 0.000 1.038 83 N HN 0.417 nan 8.380 nan 0.000 0.517 84 Q N -1.837 118.001 119.800 0.063 0.000 2.900 84 Q HA 0.422 4.762 4.340 0.000 0.000 0.297 84 Q C -1.739 173.983 176.000 -0.463 0.000 0.889 84 Q CA -0.953 54.767 55.803 -0.139 0.000 0.777 84 Q CB 0.450 29.171 28.738 -0.028 0.000 1.518 84 Q HN -0.068 nan 8.270 nan 0.000 0.430 85 c N 1.537 119.757 118.600 -0.634 0.000 2.364 85 c HA 0.662 5.232 4.570 0.000 0.000 0.356 85 c C -2.106 171.527 174.090 -0.762 0.000 1.201 85 c CA -1.025 54.837 56.329 -0.779 0.000 2.227 85 c CB 0.548 42.721 42.510 -0.562 0.000 2.387 85 c HN 0.653 nan 8.230 nan 0.000 0.546 86 P HA 0.178 nan 4.420 nan 0.000 0.270 86 P C -0.614 176.506 177.300 -0.301 0.000 1.223 86 P CA 0.199 62.958 63.100 -0.567 0.000 0.785 86 P CB 0.300 31.642 31.700 -0.597 0.000 0.923 87 I N 0.298 120.808 120.570 -0.101 0.000 2.662 87 I HA 0.113 4.283 4.170 0.000 0.000 0.291 87 I C 0.720 176.909 176.117 0.120 0.000 1.046 87 I CA 0.170 61.471 61.300 0.002 0.000 1.361 87 I CB 0.575 38.656 38.000 0.135 0.000 1.429 87 I HN 0.243 nan 8.210 nan 0.000 0.558 88 S N 2.761 118.555 115.700 0.157 0.000 2.608 88 S HA 0.233 4.703 4.470 0.000 0.000 0.291 88 S C -0.133 174.645 174.600 0.296 0.000 1.146 88 S CA -0.594 57.753 58.200 0.245 0.000 1.043 88 S CB 1.690 65.020 63.200 0.216 0.000 1.037 88 S HN 0.689 nan 8.310 nan 0.000 0.520 89 S N 0.901 116.741 115.700 0.233 0.000 2.563 89 S HA 0.398 4.868 4.470 0.000 0.000 0.284 89 S C 1.409 176.086 174.600 0.129 0.000 1.331 89 S CA 0.837 59.141 58.200 0.172 0.000 1.047 89 S CB -0.269 63.011 63.200 0.133 0.000 0.859 89 S HN 1.473 nan 8.310 nan 0.000 0.514 90 G N 3.084 111.912 108.800 0.048 0.000 2.159 90 G HA2 -0.165 3.795 3.960 0.000 0.000 0.256 90 G HA3 -0.165 3.795 3.960 0.000 0.000 0.256 90 G C 0.088 174.825 174.900 -0.272 0.000 0.977 90 G CA 0.471 45.509 45.100 -0.104 0.000 0.652 90 G HN 0.843 nan 8.290 nan 0.000 0.531 91 H N -0.227 118.897 119.070 0.089 0.000 2.834 91 H HA 0.737 5.293 4.556 0.000 0.000 0.369 91 H C 0.001 175.406 175.328 0.128 0.000 1.174 91 H CA 0.194 56.300 56.048 0.097 0.000 1.165 91 H CB 2.070 31.886 29.762 0.091 0.000 1.820 91 H HN 0.546 nan 8.280 nan 0.000 0.558 92 S N 0.754 116.625 115.700 0.284 0.000 2.570 92 S HA 0.666 5.136 4.470 0.000 0.000 0.286 92 S C -1.275 173.514 174.600 0.315 0.000 1.099 92 S CA -0.821 57.532 58.200 0.256 0.000 0.913 92 S CB 2.468 65.774 63.200 0.178 0.000 1.085 92 S HN 0.417 nan 8.310 nan 0.000 0.480 93 F N 1.263 121.285 119.950 0.120 0.000 2.578 93 F HA 0.703 5.230 4.527 0.000 0.000 0.311 93 F C -1.727 174.104 175.800 0.052 0.000 1.094 93 F CA -1.353 56.677 58.000 0.051 0.000 0.923 93 F CB 1.768 40.764 39.000 -0.007 0.000 1.230 93 F HN 0.709 nan 8.300 nan 0.000 0.450 94 L N 6.694 127.465 121.223 -0.753 0.000 2.257 94 L HA 0.448 4.788 4.340 0.000 0.000 0.290 94 L C -1.715 174.790 176.870 -0.610 0.000 1.044 94 L CA -0.260 54.288 54.840 -0.487 0.000 0.810 94 L CB 0.263 42.157 42.059 -0.274 0.000 1.193 94 L HN 0.537 nan 8.230 nan 0.000 0.425 95 Y N 3.700 123.948 120.300 -0.086 0.000 2.425 95 Y HA 0.365 4.915 4.550 0.000 0.000 0.347 95 Y C -0.150 175.712 175.900 -0.064 0.000 0.976 95 Y CA -0.293 57.849 58.100 0.070 0.000 1.190 95 Y CB 0.848 39.458 38.460 0.250 0.000 1.136 95 Y HN 0.553 nan 8.280 nan 0.000 0.517 96 D N 5.621 126.105 120.400 0.141 0.000 2.469 96 D HA 0.343 4.983 4.640 0.000 0.000 0.251 96 D C -1.324 174.999 176.300 0.038 0.000 1.173 96 D CA -0.404 53.597 54.000 0.001 0.000 0.882 96 D CB 0.191 41.042 40.800 0.086 0.000 1.129 96 D HN 0.251 nan 8.370 nan 0.000 0.549 97 F N 0.228 120.084 119.950 -0.155 0.000 2.662 97 F HA 0.592 5.119 4.527 0.000 0.000 0.312 97 F C -0.950 174.779 175.800 -0.119 0.000 1.113 97 F CA -1.018 56.873 58.000 -0.181 0.000 0.951 97 F CB 1.101 39.905 39.000 -0.327 0.000 1.344 97 F HN 0.033 nan 8.300 nan 0.000 0.462 98 Q N 0.774 120.633 119.800 0.099 0.000 2.301 98 Q HA 0.707 5.047 4.340 0.000 0.000 0.267 98 Q C -1.347 174.731 176.000 0.131 0.000 1.035 98 Q CA -1.335 54.502 55.803 0.057 0.000 0.856 98 Q CB 3.100 31.862 28.738 0.039 0.000 1.337 98 Q HN 0.638 nan 8.270 nan 0.000 0.450 99 V N 3.365 123.350 119.914 0.119 0.000 2.260 99 V HA 0.287 4.407 4.120 0.000 0.000 0.263 99 V C -2.259 173.906 176.094 0.118 0.000 1.036 99 V CA -1.140 61.215 62.300 0.092 0.000 0.874 99 V CB 0.522 32.341 31.823 -0.007 0.000 1.116 99 V HN 0.608 nan 8.190 nan 0.000 0.454 100 P HA 0.478 nan 4.420 nan 0.000 0.285 100 P C 0.335 177.706 177.300 0.119 0.000 1.280 100 P CA 0.774 63.936 63.100 0.103 0.000 0.862 100 P CB 1.681 33.433 31.700 0.087 0.000 1.153 101 D N -1.740 118.727 120.400 0.113 0.000 3.059 101 D HA -0.214 4.426 4.640 0.000 0.000 0.213 101 D C 0.118 176.499 176.300 0.134 0.000 1.144 101 D CA 1.651 55.725 54.000 0.125 0.000 0.975 101 D CB -2.029 38.860 40.800 0.149 0.000 1.125 101 D HN 0.633 nan 8.370 nan 0.000 0.412 102 Q N -1.240 118.632 119.800 0.120 0.000 2.372 102 Q HA 0.762 5.102 4.340 0.000 0.000 0.273 102 Q C -0.778 175.328 176.000 0.176 0.000 1.078 102 Q CA -0.079 55.790 55.803 0.111 0.000 0.806 102 Q CB 2.491 31.238 28.738 0.015 0.000 1.332 102 Q HN 1.382 nan 8.270 nan 0.000 0.435 103 A N 0.885 123.832 122.820 0.211 0.000 2.547 103 A HA 0.862 5.182 4.320 0.000 0.000 0.298 103 A C -0.596 177.090 177.584 0.170 0.000 1.062 103 A CA 0.238 52.415 52.037 0.233 0.000 0.748 103 A CB 1.462 20.562 19.000 0.166 0.000 1.288 103 A HN 0.903 nan 8.150 nan 0.000 0.396 104 G N -0.126 108.796 108.800 0.204 0.000 2.373 104 G HA2 0.525 4.485 3.960 0.000 0.000 0.250 104 G HA3 0.525 4.485 3.960 0.000 0.000 0.250 104 G C -0.698 174.113 174.900 -0.148 0.000 1.304 104 G CA 0.176 45.231 45.100 -0.075 0.000 0.948 104 G HN 1.276 nan 8.290 nan 0.000 0.474 105 T N 1.094 115.372 114.554 -0.461 0.000 2.795 105 T HA 0.749 5.099 4.350 0.000 0.000 0.282 105 T C -0.779 173.535 174.700 -0.644 0.000 0.980 105 T CA 0.176 62.078 62.100 -0.330 0.000 1.012 105 T CB 0.836 69.561 68.868 -0.239 0.000 0.936 105 T HN 0.420 nan 8.240 nan 0.000 0.457 106 F N 0.743 120.648 119.950 -0.074 0.000 2.922 106 F HA 0.825 5.352 4.527 0.000 0.000 0.345 106 F C -0.981 174.991 175.800 0.285 0.000 1.209 106 F CA -1.115 56.851 58.000 -0.057 0.000 1.018 106 F CB 1.549 40.268 39.000 -0.468 0.000 1.472 106 F HN 0.633 nan 8.300 nan 0.000 0.521 107 W N 0.397 121.839 121.300 0.237 0.000 3.057 107 W HA 0.532 5.192 4.660 0.000 0.000 0.328 107 W C -2.629 174.084 176.519 0.322 0.000 1.232 107 W CA -1.810 55.689 57.345 0.256 0.000 1.187 107 W CB 0.062 29.516 29.460 -0.009 0.000 1.417 107 W HN 0.612 nan 8.180 nan 0.000 0.569 108 Y N 0.447 120.904 120.300 0.260 0.000 2.524 108 Y HA 0.838 5.388 4.550 0.000 0.000 0.344 108 Y C -0.694 175.106 175.900 -0.167 0.000 1.012 108 Y CA -1.285 56.713 58.100 -0.170 0.000 1.068 108 Y CB 1.684 40.157 38.460 0.023 0.000 1.249 108 Y HN 0.732 nan 8.280 nan 0.000 0.468 109 H N -1.514 117.325 119.070 -0.386 0.000 3.043 109 H HA 0.432 4.988 4.556 0.000 0.000 0.317 109 H C -1.184 174.044 175.328 -0.167 0.000 1.321 109 H CA -0.893 54.971 56.048 -0.307 0.000 1.243 109 H CB 0.689 30.082 29.762 -0.615 0.000 1.924 109 H HN 0.823 nan 8.280 nan 0.000 0.527 110 S N 0.542 116.341 115.700 0.165 0.000 2.558 110 S HA -0.042 4.428 4.470 0.000 0.000 0.291 110 S C 0.019 174.773 174.600 0.256 0.000 1.306 110 S CA -0.062 58.238 58.200 0.167 0.000 1.056 110 S CB -0.025 63.309 63.200 0.223 0.000 0.836 110 S HN 0.838 nan 8.310 nan 0.000 0.504 111 H N 3.829 122.951 119.070 0.086 0.000 2.505 111 H HA 0.384 4.940 4.556 0.000 0.000 0.260 111 H C -1.004 174.372 175.328 0.080 0.000 1.168 111 H CA -0.393 55.723 56.048 0.114 0.000 0.945 111 H CB 0.137 29.906 29.762 0.011 0.000 1.800 111 H HN 0.479 nan 8.280 nan 0.000 0.586 112 L N 0.979 122.312 121.223 0.183 0.000 2.318 112 L HA 0.351 4.691 4.340 0.000 0.000 0.277 112 L C 0.517 177.463 176.870 0.127 0.000 1.008 112 L CA 0.427 55.354 54.840 0.146 0.000 0.846 112 L CB 1.034 43.151 42.059 0.096 0.000 1.220 112 L HN 0.306 nan 8.230 nan 0.000 0.423 113 S N 3.014 118.798 115.700 0.140 0.000 3.469 113 S HA -0.297 4.174 4.470 0.000 0.000 0.628 113 S C 0.999 175.577 174.600 -0.037 0.000 2.687 113 S CA 1.759 60.001 58.200 0.071 0.000 3.829 113 S CB -1.418 61.823 63.200 0.067 0.000 0.258 113 S HN 1.419 nan 8.310 nan 0.000 1.222 114 T N 0.179 114.677 114.554 -0.092 0.000 3.206 114 T HA 0.324 4.674 4.350 0.000 0.000 0.253 114 T C 1.430 176.014 174.700 -0.194 0.000 1.042 114 T CA 1.009 62.953 62.100 -0.259 0.000 0.931 114 T CB 0.156 68.853 68.868 -0.284 0.000 1.029 114 T HN 0.674 nan 8.240 nan 0.000 0.564 115 Q N 1.079 120.854 119.800 -0.042 0.000 2.248 115 Q HA -0.237 4.103 4.340 0.000 0.000 0.208 115 Q C 1.868 177.942 176.000 0.122 0.000 0.984 115 Q CA 1.787 57.619 55.803 0.048 0.000 0.875 115 Q CB -0.465 28.334 28.738 0.102 0.000 0.910 115 Q HN 0.910 nan 8.270 nan 0.000 0.433 116 Y N -1.574 118.761 120.300 0.058 0.000 2.509 116 Y HA -0.017 4.533 4.550 0.000 0.000 0.293 116 Y C 1.767 177.741 175.900 0.124 0.000 1.133 116 Y CA 0.423 58.592 58.100 0.116 0.000 1.283 116 Y CB -0.882 37.662 38.460 0.140 0.000 1.001 116 Y HN 0.165 nan 8.280 nan 0.000 0.555 117 c N 0.712 119.214 118.600 -0.163 0.000 2.450 117 c HA -0.094 4.476 4.570 0.000 0.000 0.279 117 c C 1.891 176.050 174.090 0.114 0.000 1.335 117 c CA 0.902 57.177 56.329 -0.089 0.000 1.749 117 c CB -0.783 41.519 42.510 -0.348 0.000 1.963 117 c HN 0.534 nan 8.230 nan 0.000 0.501 118 D N -0.174 120.282 120.400 0.094 0.000 2.363 118 D HA 0.176 4.816 4.640 0.000 0.000 0.226 118 D C 1.738 178.247 176.300 0.349 0.000 1.020 118 D CA 1.278 55.361 54.000 0.139 0.000 0.892 118 D CB 0.087 40.942 40.800 0.091 0.000 0.900 118 D HN 0.684 nan 8.370 nan 0.000 0.531 119 G N 0.177 109.234 108.800 0.428 0.000 2.705 119 G HA2 -0.210 3.751 3.960 0.000 0.000 0.193 119 G HA3 -0.210 3.751 3.960 0.000 0.000 0.193 119 G C 0.092 175.175 174.900 0.306 0.000 1.015 119 G CA -0.407 44.955 45.100 0.438 0.000 0.743 119 G HN 0.222 nan 8.290 nan 0.000 0.476 120 L N 3.522 124.919 121.223 0.289 0.000 2.415 120 L HA 0.664 5.004 4.340 0.000 0.000 0.269 120 L C 0.689 177.698 176.870 0.232 0.000 1.244 120 L CA -0.155 54.837 54.840 0.253 0.000 1.113 120 L CB -1.538 40.666 42.059 0.242 0.000 1.352 120 L HN 0.543 nan 8.230 nan 0.000 0.433 121 R N 2.453 123.026 120.500 0.122 0.000 2.604 121 R HA 0.847 5.187 4.340 0.000 0.000 0.261 121 R C -0.838 175.289 176.300 -0.288 0.000 1.080 121 R CA -0.816 55.272 56.100 -0.020 0.000 0.917 121 R CB 1.038 31.486 30.300 0.246 0.000 1.252 121 R HN 0.427 nan 8.270 nan 0.000 0.456 122 G N 1.502 109.856 108.800 -0.744 0.000 2.673 122 G HA2 0.584 4.544 3.960 0.000 0.000 0.292 122 G HA3 0.584 4.544 3.960 0.000 0.000 0.292 122 G C -3.176 171.624 174.900 -0.166 0.000 1.450 122 G CA -1.361 43.403 45.100 -0.559 0.000 0.837 122 G HN 0.404 nan 8.290 nan 0.000 0.505 123 P HA 0.465 nan 4.420 nan 0.000 0.279 123 P C -1.525 176.073 177.300 0.497 0.000 1.239 123 P CA -0.326 62.946 63.100 0.286 0.000 0.789 123 P CB 1.528 33.307 31.700 0.133 0.000 0.933 124 F N 3.426 123.602 119.950 0.377 0.000 2.536 124 F HA 0.396 4.923 4.527 0.000 0.000 0.322 124 F C -1.280 174.687 175.800 0.278 0.000 1.144 124 F CA -1.033 57.188 58.000 0.369 0.000 0.924 124 F CB 1.468 40.761 39.000 0.488 0.000 1.181 124 F HN -0.006 nan 8.300 nan 0.000 0.438 125 V N 6.269 126.467 119.914 0.473 0.000 2.540 125 V HA 0.538 4.658 4.120 0.000 0.000 0.302 125 V C -0.930 175.226 176.094 0.104 0.000 1.035 125 V CA -0.883 61.541 62.300 0.207 0.000 0.873 125 V CB 1.908 33.621 31.823 -0.184 0.000 0.992 125 V HN 0.477 nan 8.190 nan 0.000 0.428 126 V N 5.517 125.529 119.914 0.164 0.000 2.326 126 V HA 0.424 4.544 4.120 0.000 0.000 0.281 126 V C -0.675 175.443 176.094 0.040 0.000 1.015 126 V CA -0.763 61.647 62.300 0.183 0.000 0.823 126 V CB 0.880 32.887 31.823 0.307 0.000 1.009 126 V HN 0.717 nan 8.190 nan 0.000 0.436 127 Y N 1.971 122.411 120.300 0.234 0.000 2.314 127 Y HA 0.385 4.935 4.550 0.000 0.000 0.334 127 Y C 0.662 176.650 175.900 0.147 0.000 1.266 127 Y CA -0.390 57.809 58.100 0.165 0.000 1.391 127 Y CB 0.560 39.094 38.460 0.123 0.000 1.306 127 Y HN 0.523 nan 8.280 nan 0.000 0.558 128 D N 2.201 122.779 120.400 0.298 0.000 2.441 128 D HA 0.296 4.936 4.640 0.000 0.000 0.231 128 D C -2.103 174.292 176.300 0.158 0.000 1.073 128 D CA -2.504 51.613 54.000 0.194 0.000 0.850 128 D CB 1.655 42.550 40.800 0.158 0.000 1.062 128 D HN 0.184 nan 8.370 nan 0.000 0.524 129 P HA -0.087 nan 4.420 nan 0.000 0.218 129 P C 0.170 177.501 177.300 0.050 0.000 1.146 129 P CA 0.920 64.064 63.100 0.074 0.000 0.813 129 P CB 0.161 31.895 31.700 0.056 0.000 0.778 130 N N -1.661 117.073 118.700 0.056 0.000 2.599 130 N HA 0.027 4.767 4.740 0.000 0.000 0.309 130 N C -0.713 174.823 175.510 0.043 0.000 1.743 130 N CA -0.217 52.855 53.050 0.035 0.000 0.918 130 N CB -0.350 38.154 38.487 0.029 0.000 1.339 130 N HN -0.062 nan 8.380 nan 0.000 0.493 131 D N 1.880 122.317 120.400 0.062 0.000 2.487 131 D HA 0.046 4.686 4.640 0.000 0.000 0.243 131 D C -1.200 175.122 176.300 0.035 0.000 1.154 131 D CA -0.979 53.068 54.000 0.078 0.000 0.876 131 D CB 1.748 42.631 40.800 0.138 0.000 1.161 131 D HN 0.139 nan 8.370 nan 0.000 0.478 132 P HA -0.092 nan 4.420 nan 0.000 0.216 132 P C 0.463 177.766 177.300 0.004 0.000 1.150 132 P CA 1.093 64.207 63.100 0.023 0.000 0.837 132 P CB 0.236 31.959 31.700 0.037 0.000 0.786 133 A N -0.984 121.855 122.820 0.031 0.000 2.337 133 A HA 0.443 4.763 4.320 0.000 0.000 0.227 133 A C 1.975 179.444 177.584 -0.190 0.000 1.259 133 A CA 0.582 52.629 52.037 0.016 0.000 0.870 133 A CB -1.003 18.086 19.000 0.148 0.000 0.927 133 A HN 0.129 nan 8.150 nan 0.000 0.497 134 A N 0.453 123.117 122.820 -0.261 0.000 1.940 134 A HA -0.184 4.136 4.320 0.000 0.000 0.219 134 A C 1.552 178.742 177.584 -0.656 0.000 1.176 134 A CA 1.746 53.437 52.037 -0.576 0.000 0.631 134 A CB -0.347 18.502 19.000 -0.252 0.000 0.814 134 A HN 0.428 nan 8.150 nan 0.000 0.446 135 D N -0.281 119.913 120.400 -0.343 0.000 2.378 135 D HA -0.017 4.624 4.640 0.000 0.000 0.222 135 D C 1.448 177.610 176.300 -0.229 0.000 0.980 135 D CA 0.570 54.422 54.000 -0.246 0.000 0.907 135 D CB -0.080 40.640 40.800 -0.133 0.000 0.899 135 D HN 0.483 nan 8.370 nan 0.000 0.527 136 L N -0.278 120.782 121.223 -0.272 0.000 2.591 136 L HA 0.043 4.383 4.340 0.000 0.000 0.228 136 L C -0.046 176.823 176.870 -0.002 0.000 1.133 136 L CA 0.041 54.829 54.840 -0.087 0.000 0.880 136 L CB -0.129 41.957 42.059 0.044 0.000 1.033 136 L HN 0.040 nan 8.230 nan 0.000 0.450 137 Y N -5.077 115.186 120.300 -0.062 0.000 2.609 137 Y HA 0.415 4.965 4.550 0.000 0.000 0.336 137 Y C -0.092 175.713 175.900 -0.158 0.000 1.129 137 Y CA -1.479 56.552 58.100 -0.114 0.000 1.040 137 Y CB 0.524 38.908 38.460 -0.126 0.000 1.310 137 Y HN -0.206 nan 8.280 nan 0.000 0.460 138 D N 0.603 120.992 120.400 -0.018 0.000 2.394 138 D HA 0.161 4.801 4.640 0.000 0.000 0.226 138 D C -0.322 175.884 176.300 -0.157 0.000 0.990 138 D CA 0.932 54.852 54.000 -0.133 0.000 0.902 138 D CB 1.291 41.956 40.800 -0.225 0.000 1.038 138 D HN 0.266 nan 8.370 nan 0.000 0.499 139 V N 1.282 121.015 119.914 -0.302 0.000 2.540 139 V HA 0.404 4.524 4.120 0.000 0.000 0.302 139 V C -1.031 174.929 176.094 -0.224 0.000 1.035 139 V CA -0.704 61.417 62.300 -0.298 0.000 0.873 139 V CB 2.289 33.803 31.823 -0.515 0.000 0.992 139 V HN -0.071 nan 8.190 nan 0.000 0.428 140 D N 3.143 123.462 120.400 -0.135 0.000 2.445 140 D HA 0.361 5.001 4.640 0.000 0.000 0.236 140 D C -0.583 175.674 176.300 -0.071 0.000 1.315 140 D CA -0.266 53.651 54.000 -0.139 0.000 0.924 140 D CB 0.748 41.458 40.800 -0.151 0.000 1.447 140 D HN 0.715 nan 8.370 nan 0.000 0.532 141 N N 0.694 119.385 118.700 -0.015 0.000 3.600 141 N HA 0.334 5.074 4.740 0.000 0.000 0.348 141 N C 0.313 175.887 175.510 0.105 0.000 1.649 141 N CA -0.516 52.544 53.050 0.016 0.000 0.710 141 N CB 0.098 38.571 38.487 -0.024 0.000 2.380 141 N HN -0.192 nan 8.380 nan 0.000 0.631 142 D N -0.674 119.781 120.400 0.092 0.000 2.218 142 D HA -0.054 4.586 4.640 0.000 0.000 0.204 142 D C 0.071 176.422 176.300 0.085 0.000 0.976 142 D CA 1.121 55.180 54.000 0.099 0.000 0.853 142 D CB -0.215 40.630 40.800 0.074 0.000 0.939 142 D HN 0.450 nan 8.370 nan 0.000 0.481 143 D N -0.894 119.554 120.400 0.081 0.000 2.339 143 D HA -0.012 4.628 4.640 0.000 0.000 0.217 143 D C 1.316 177.710 176.300 0.156 0.000 1.050 143 D CA 0.525 54.583 54.000 0.096 0.000 0.856 143 D CB 0.242 41.094 40.800 0.087 0.000 0.922 143 D HN 0.285 nan 8.370 nan 0.000 0.518 144 T N -2.248 112.390 114.554 0.140 0.000 3.134 144 T HA 0.215 4.565 4.350 0.000 0.000 0.260 144 T C 0.538 175.363 174.700 0.208 0.000 1.027 144 T CA -0.308 61.919 62.100 0.211 0.000 0.913 144 T CB 0.144 68.920 68.868 -0.152 0.000 1.046 144 T HN -0.262 nan 8.240 nan 0.000 0.553 145 V N 2.598 122.582 119.914 0.116 0.000 2.432 145 V HA 0.479 4.599 4.120 0.000 0.000 0.275 145 V C -0.052 176.049 176.094 0.012 0.000 1.043 145 V CA -0.777 61.551 62.300 0.046 0.000 0.925 145 V CB 0.971 32.823 31.823 0.047 0.000 0.985 145 V HN 0.485 nan 8.190 nan 0.000 0.466 146 I N 4.853 125.388 120.570 -0.057 0.000 2.410 146 I HA 0.388 4.558 4.170 0.000 0.000 0.286 146 I C 0.232 176.249 176.117 -0.167 0.000 1.009 146 I CA -0.326 60.908 61.300 -0.110 0.000 1.111 146 I CB 2.061 39.964 38.000 -0.162 0.000 1.262 146 I HN 0.672 nan 8.210 nan 0.000 0.443 147 T N 4.973 119.436 114.554 -0.150 0.000 2.867 147 T HA 0.727 5.077 4.350 0.000 0.000 0.282 147 T C -0.520 174.042 174.700 -0.229 0.000 1.000 147 T CA -0.745 61.235 62.100 -0.200 0.000 1.042 147 T CB 1.604 70.378 68.868 -0.157 0.000 0.973 147 T HN 0.338 nan 8.240 nan 0.000 0.465 148 L N 2.934 123.978 121.223 -0.298 0.000 2.313 148 L HA 0.744 5.084 4.340 0.000 0.000 0.283 148 L C -0.825 175.890 176.870 -0.259 0.000 1.013 148 L CA -1.203 53.420 54.840 -0.362 0.000 0.816 148 L CB 1.970 43.725 42.059 -0.507 0.000 1.236 148 L HN 0.493 nan 8.230 nan 0.000 0.419 149 V N 1.556 121.359 119.914 -0.187 0.000 2.709 149 V HA 0.272 4.392 4.120 0.000 0.000 0.308 149 V C -0.973 175.190 176.094 0.114 0.000 1.062 149 V CA -0.824 61.480 62.300 0.007 0.000 0.901 149 V CB 2.463 34.309 31.823 0.038 0.000 1.003 149 V HN 0.762 nan 8.190 nan 0.000 0.425 150 D N 2.870 123.402 120.400 0.219 0.000 2.456 150 D HA 0.064 4.704 4.640 0.000 0.000 0.219 150 D C -0.477 175.847 176.300 0.041 0.000 1.126 150 D CA -0.363 53.706 54.000 0.114 0.000 0.890 150 D CB 0.863 41.725 40.800 0.103 0.000 1.025 150 D HN 0.615 nan 8.370 nan 0.000 0.511 151 W N 3.786 124.949 121.300 -0.228 0.000 2.338 151 W HA 0.292 4.952 4.660 0.000 0.000 0.307 151 W C -1.322 175.001 176.519 -0.326 0.000 1.167 151 W CA -0.760 56.503 57.345 -0.136 0.000 1.208 151 W CB 0.932 30.398 29.460 0.011 0.000 1.228 151 W HN 0.265 nan 8.180 nan 0.000 0.499 152 Y N 2.966 122.934 120.300 -0.553 0.000 2.420 152 Y HA 0.184 4.734 4.550 0.000 0.000 0.334 152 Y C 1.312 176.970 175.900 -0.404 0.000 1.094 152 Y CA -0.544 57.315 58.100 -0.401 0.000 1.126 152 Y CB 1.319 39.626 38.460 -0.255 0.000 1.217 152 Y HN 0.438 nan 8.280 nan 0.000 0.462 153 H N 0.136 119.131 119.070 -0.125 0.000 2.482 153 H HA 0.161 4.717 4.556 0.000 0.000 0.286 153 H C -0.337 175.036 175.328 0.075 0.000 1.017 153 H CA 0.129 56.159 56.048 -0.030 0.000 1.322 153 H CB 0.556 30.083 29.762 -0.393 0.000 1.426 153 H HN 0.191 nan 8.280 nan 0.000 0.546 154 V N 1.595 121.587 119.914 0.130 0.000 2.472 154 V HA 0.369 4.489 4.120 0.000 0.000 0.290 154 V C 0.348 176.445 176.094 0.005 0.000 1.037 154 V CA -0.829 61.516 62.300 0.075 0.000 0.908 154 V CB 1.373 33.218 31.823 0.036 0.000 0.985 154 V HN 0.302 nan 8.190 nan 0.000 0.454 155 A N 3.644 126.466 122.820 0.003 0.000 2.492 155 A HA 0.498 4.819 4.320 0.000 0.000 0.236 155 A C 1.662 179.211 177.584 -0.059 0.000 1.078 155 A CA 0.546 52.565 52.037 -0.030 0.000 0.773 155 A CB 0.041 19.041 19.000 -0.001 0.000 1.023 155 A HN 1.404 nan 8.150 nan 0.000 0.504 156 A N 1.254 124.034 122.820 -0.067 0.000 1.873 156 A HA -0.178 4.142 4.320 0.000 0.000 0.218 156 A C 1.892 179.462 177.584 -0.023 0.000 1.193 156 A CA 2.064 54.075 52.037 -0.043 0.000 0.629 156 A CB -0.482 18.481 19.000 -0.061 0.000 0.826 156 A HN 0.831 nan 8.150 nan 0.000 0.447 157 K N -0.736 119.644 120.400 -0.032 0.000 2.486 157 K HA 0.220 4.540 4.320 0.000 0.000 0.194 157 K C 1.294 177.870 176.600 -0.039 0.000 1.033 157 K CA 0.396 56.662 56.287 -0.035 0.000 1.004 157 K CB -0.068 32.406 32.500 -0.043 0.000 0.798 157 K HN 0.477 nan 8.250 nan 0.000 0.495 158 L N -0.513 120.689 121.223 -0.036 0.000 2.515 158 L HA 0.120 4.460 4.340 0.000 0.000 0.223 158 L C 1.483 178.327 176.870 -0.043 0.000 1.079 158 L CA -0.137 54.686 54.840 -0.029 0.000 0.857 158 L CB 0.033 42.087 42.059 -0.007 0.000 1.050 158 L HN 0.106 nan 8.230 nan 0.000 0.476 159 G N 0.066 108.825 108.800 -0.069 0.000 2.531 159 G HA2 0.362 4.323 3.960 0.000 0.000 0.253 159 G HA3 0.362 4.323 3.960 0.000 0.000 0.253 159 G C -2.408 172.415 174.900 -0.128 0.000 1.439 159 G CA -0.674 44.370 45.100 -0.094 0.000 1.056 159 G HN -0.056 nan 8.290 nan 0.000 0.555 160 P HA 0.302 nan 4.420 nan 0.000 0.272 160 P C 0.600 177.730 177.300 -0.283 0.000 1.223 160 P CA 0.257 63.248 63.100 -0.183 0.000 0.784 160 P CB 1.126 32.735 31.700 -0.153 0.000 0.923 161 A N 1.334 123.953 122.820 -0.336 0.000 1.972 161 A HA -0.053 4.267 4.320 0.000 0.000 0.219 161 A C 0.379 177.515 177.584 -0.747 0.000 1.169 161 A CA 1.412 53.119 52.037 -0.551 0.000 0.635 161 A CB -0.808 17.739 19.000 -0.754 0.000 0.810 161 A HN 0.489 nan 8.150 nan 0.000 0.446 162 F N -1.273 118.583 119.950 -0.157 0.000 2.691 162 F HA 0.391 4.918 4.527 0.000 0.000 0.371 162 F C -1.896 173.716 175.800 -0.313 0.000 1.159 162 F CA -2.706 55.162 58.000 -0.221 0.000 1.174 162 F CB 0.883 39.862 39.000 -0.035 0.000 1.419 162 F HN -0.039 nan 8.300 nan 0.000 0.514 163 P HA -0.251 nan 4.420 nan 0.000 0.219 163 P C 0.789 178.071 177.300 -0.030 0.000 1.158 163 P CA 1.448 64.389 63.100 -0.264 0.000 0.895 163 P CB 0.251 31.688 31.700 -0.438 0.000 0.792 164 L N -3.356 117.885 121.223 0.029 0.000 3.730 164 L HA -0.115 4.225 4.340 0.000 0.000 0.410 164 L C 0.117 177.183 176.870 0.326 0.000 1.234 164 L CA 1.144 55.970 54.840 -0.023 0.000 0.911 164 L CB -1.700 40.296 42.059 -0.105 0.000 1.942 164 L HN 0.389 nan 8.230 nan 0.000 0.860 165 G N -1.283 107.881 108.800 0.606 0.000 2.634 165 G HA2 0.602 4.562 3.960 0.000 0.000 0.568 165 G HA3 0.602 4.562 3.960 0.000 0.000 0.568 165 G C -0.472 174.500 174.900 0.121 0.000 1.495 165 G CA -0.399 44.899 45.100 0.330 0.000 0.903 165 G HN 1.394 nan 8.290 nan 0.000 0.646 166 A N 1.239 123.966 122.820 -0.155 0.000 2.293 166 A HA 0.739 5.059 4.320 0.000 0.000 0.302 166 A C 1.044 178.412 177.584 -0.359 0.000 1.119 166 A CA 0.021 51.737 52.037 -0.535 0.000 0.823 166 A CB 0.654 19.240 19.000 -0.690 0.000 1.097 166 A HN 0.617 nan 8.150 nan 0.000 0.491 167 D N 0.317 120.455 120.400 -0.437 0.000 2.269 167 D HA 0.218 4.858 4.640 0.000 0.000 0.208 167 D C 0.575 176.715 176.300 -0.267 0.000 0.963 167 D CA 1.906 55.646 54.000 -0.433 0.000 0.864 167 D CB 0.172 40.424 40.800 -0.913 0.000 0.936 167 D HN 0.743 nan 8.370 nan 0.000 0.505 168 A N -0.461 122.256 122.820 -0.171 0.000 2.594 168 A HA 0.442 4.763 4.320 0.000 0.000 0.296 168 A C -0.732 176.851 177.584 -0.001 0.000 1.056 168 A CA -0.668 51.344 52.037 -0.041 0.000 0.693 168 A CB 1.202 20.247 19.000 0.075 0.000 1.278 168 A HN -0.113 nan 8.150 nan 0.000 0.408 169 T N 2.059 116.605 114.554 -0.013 0.000 2.806 169 T HA 0.544 4.894 4.350 0.000 0.000 0.290 169 T C -0.597 174.073 174.700 -0.051 0.000 0.966 169 T CA -0.039 62.046 62.100 -0.026 0.000 1.060 169 T CB 0.448 69.278 68.868 -0.063 0.000 0.927 169 T HN 0.375 nan 8.240 nan 0.000 0.485 170 L N 4.133 125.312 121.223 -0.073 0.000 2.287 170 L HA 0.538 4.878 4.340 0.000 0.000 0.287 170 L C -0.285 176.502 176.870 -0.139 0.000 1.022 170 L CA -0.324 54.462 54.840 -0.090 0.000 0.814 170 L CB 1.114 43.114 42.059 -0.098 0.000 1.217 170 L HN 0.615 nan 8.230 nan 0.000 0.420 171 I N 4.393 124.900 120.570 -0.105 0.000 2.355 171 I HA 0.299 4.469 4.170 0.000 0.000 0.288 171 I C 0.067 176.139 176.117 -0.074 0.000 0.999 171 I CA -0.693 60.549 61.300 -0.097 0.000 1.163 171 I CB 0.939 38.913 38.000 -0.043 0.000 1.316 171 I HN 0.565 nan 8.210 nan 0.000 0.454 172 N N 5.164 123.812 118.700 -0.087 0.000 2.727 172 N HA -0.199 4.541 4.740 0.000 0.000 0.249 172 N C 0.901 176.369 175.510 -0.069 0.000 1.048 172 N CA 1.369 54.380 53.050 -0.066 0.000 0.714 172 N CB -0.900 37.563 38.487 -0.041 0.000 0.959 172 N HN 1.146 nan 8.380 nan 0.000 0.544 173 G N -1.969 106.772 108.800 -0.098 0.000 2.234 173 G HA2 -0.358 3.602 3.960 0.000 0.000 0.260 173 G HA3 -0.358 3.602 3.960 0.000 0.000 0.260 173 G C 0.110 174.930 174.900 -0.133 0.000 0.987 173 G CA 0.972 45.996 45.100 -0.127 0.000 0.625 173 G HN 0.565 nan 8.290 nan 0.000 0.532 174 K N -0.169 120.179 120.400 -0.087 0.000 2.340 174 K HA 0.732 5.052 4.320 0.000 0.000 0.244 174 K C 0.227 176.804 176.600 -0.038 0.000 0.973 174 K CA -0.300 55.950 56.287 -0.061 0.000 0.828 174 K CB 2.290 34.772 32.500 -0.029 0.000 1.226 174 K HN 0.863 nan 8.250 nan 0.000 0.437 175 G N 0.639 109.433 108.800 -0.010 0.000 2.320 175 G HA2 0.330 4.290 3.960 0.000 0.000 0.296 175 G HA3 0.330 4.290 3.960 0.000 0.000 0.296 175 G C -1.750 173.174 174.900 0.041 0.000 1.306 175 G CA -0.916 44.190 45.100 0.011 0.000 0.836 175 G HN 0.428 nan 8.290 nan 0.000 0.517 176 R N -0.606 119.918 120.500 0.039 0.000 2.807 176 R HA 0.756 5.096 4.340 0.000 0.000 0.276 176 R C -0.188 176.138 176.300 0.044 0.000 0.979 176 R CA -0.614 55.519 56.100 0.055 0.000 0.928 176 R CB 2.183 32.509 30.300 0.043 0.000 1.191 176 R HN 0.820 nan 8.270 nan 0.000 0.471 177 S N 0.471 116.213 115.700 0.071 0.000 2.621 177 S HA 0.405 4.875 4.470 0.000 0.000 0.302 177 S C -2.127 172.481 174.600 0.015 0.000 1.093 177 S CA -1.478 56.741 58.200 0.033 0.000 1.017 177 S CB 2.083 65.338 63.200 0.092 0.000 1.077 177 S HN 0.282 nan 8.310 nan 0.000 0.517 178 P HA -0.042 nan 4.420 nan 0.000 0.220 178 P C 0.984 178.287 177.300 0.006 0.000 1.144 178 P CA 1.034 64.121 63.100 -0.022 0.000 0.800 178 P CB 0.102 31.775 31.700 -0.045 0.000 0.772 179 S N -2.550 113.168 115.700 0.030 0.000 2.540 179 S HA 0.093 4.563 4.470 0.000 0.000 0.218 179 S C 0.539 175.184 174.600 0.076 0.000 0.977 179 S CA 0.133 58.364 58.200 0.051 0.000 0.918 179 S CB -0.326 62.908 63.200 0.057 0.000 0.806 179 S HN -0.013 nan 8.310 nan 0.000 0.496 180 T N 1.412 116.016 114.554 0.084 0.000 3.741 180 T HA 0.123 4.473 4.350 0.000 0.000 0.242 180 T C 0.931 175.675 174.700 0.073 0.000 1.042 180 T CA -0.027 62.129 62.100 0.093 0.000 1.278 180 T CB 0.465 69.414 68.868 0.135 0.000 0.994 180 T HN 0.412 nan 8.240 nan 0.000 0.594 181 T N -1.435 113.153 114.554 0.056 0.000 3.155 181 T HA -0.092 4.258 4.350 0.000 0.000 0.264 181 T C 1.861 176.597 174.700 0.060 0.000 1.160 181 T CA 1.224 63.355 62.100 0.051 0.000 1.075 181 T CB -0.479 68.413 68.868 0.039 0.000 0.921 181 T HN 0.512 nan 8.240 nan 0.000 0.533 182 T N -1.518 113.072 114.554 0.059 0.000 3.092 182 T HA 0.627 4.977 4.350 0.000 0.000 0.258 182 T C 0.774 175.508 174.700 0.057 0.000 1.031 182 T CA -0.075 62.059 62.100 0.057 0.000 0.925 182 T CB -0.163 68.734 68.868 0.047 0.000 1.036 182 T HN 0.519 nan 8.240 nan 0.000 0.544 183 A N 1.806 124.664 122.820 0.063 0.000 2.498 183 A HA 0.394 4.714 4.320 0.000 0.000 0.239 183 A C -0.040 177.576 177.584 0.053 0.000 1.068 183 A CA -0.443 51.630 52.037 0.059 0.000 0.766 183 A CB -0.153 18.889 19.000 0.070 0.000 1.003 183 A HN 0.466 nan 8.150 nan 0.000 0.497 184 D N 1.068 121.492 120.400 0.040 0.000 2.488 184 D HA 0.298 4.938 4.640 0.000 0.000 0.238 184 D C 0.192 176.515 176.300 0.038 0.000 1.138 184 D CA 0.764 54.785 54.000 0.034 0.000 0.873 184 D CB 0.353 41.165 40.800 0.020 0.000 1.183 184 D HN 0.394 nan 8.370 nan 0.000 0.458 185 L N 0.997 122.249 121.223 0.048 0.000 2.358 185 L HA 0.328 4.668 4.340 0.000 0.000 0.268 185 L C 0.770 177.659 176.870 0.031 0.000 1.032 185 L CA -0.894 53.980 54.840 0.057 0.000 0.805 185 L CB 1.257 43.384 42.059 0.113 0.000 1.253 185 L HN 0.191 nan 8.230 nan 0.000 0.452 186 S N 0.412 116.126 115.700 0.023 0.000 2.580 186 S HA 0.401 4.871 4.470 0.000 0.000 0.274 186 S C -0.308 174.295 174.600 0.006 0.000 1.329 186 S CA -0.552 57.651 58.200 0.005 0.000 1.036 186 S CB 1.389 64.585 63.200 -0.008 0.000 0.919 186 S HN 0.277 nan 8.310 nan 0.000 0.515 187 V N 3.994 123.905 119.914 -0.005 0.000 2.487 187 V HA 0.465 4.585 4.120 0.000 0.000 0.298 187 V C -0.471 175.609 176.094 -0.022 0.000 1.028 187 V CA -0.530 61.761 62.300 -0.015 0.000 0.860 187 V CB 1.503 33.318 31.823 -0.014 0.000 0.991 187 V HN 0.742 nan 8.190 nan 0.000 0.427 188 I N 3.421 123.965 120.570 -0.045 0.000 2.355 188 I HA 0.381 4.551 4.170 0.000 0.000 0.288 188 I C 0.225 176.299 176.117 -0.072 0.000 0.999 188 I CA -0.044 61.221 61.300 -0.059 0.000 1.163 188 I CB 1.825 39.742 38.000 -0.138 0.000 1.316 188 I HN 0.530 nan 8.210 nan 0.000 0.454 189 S N 5.673 121.341 115.700 -0.052 0.000 2.562 189 S HA 0.628 5.098 4.470 0.000 0.000 0.275 189 S C -0.199 174.276 174.600 -0.208 0.000 1.281 189 S CA -0.664 57.487 58.200 -0.082 0.000 1.045 189 S CB 1.720 64.905 63.200 -0.025 0.000 0.962 189 S HN 0.479 nan 8.310 nan 0.000 0.503 190 V N -0.016 119.720 119.914 -0.297 0.000 2.925 190 V HA 0.908 5.028 4.120 0.000 0.000 0.311 190 V C -0.264 175.693 176.094 -0.228 0.000 1.104 190 V CA -0.977 61.008 62.300 -0.525 0.000 0.954 190 V CB 1.544 32.900 31.823 -0.778 0.000 1.022 190 V HN 0.858 nan 8.190 nan 0.000 0.427 191 T N 0.768 115.351 114.554 0.050 0.000 2.823 191 T HA 0.725 5.075 4.350 0.000 0.000 0.279 191 T C -2.837 171.900 174.700 0.062 0.000 0.998 191 T CA -2.340 59.797 62.100 0.062 0.000 0.994 191 T CB 1.561 70.498 68.868 0.116 0.000 0.960 191 T HN 0.686 nan 8.240 nan 0.000 0.448 192 P HA 0.201 nan 4.420 nan 0.000 0.263 192 P C 1.222 178.596 177.300 0.122 0.000 1.175 192 P CA 1.509 64.708 63.100 0.165 0.000 0.761 192 P CB 0.075 31.896 31.700 0.201 0.000 0.794 193 G N 1.779 110.659 108.800 0.132 0.000 2.212 193 G HA2 -0.278 3.682 3.960 0.000 0.000 0.266 193 G HA3 -0.278 3.682 3.960 0.000 0.000 0.266 193 G C 0.136 175.074 174.900 0.063 0.000 0.978 193 G CA 0.020 45.174 45.100 0.090 0.000 0.632 193 G HN 0.541 nan 8.290 nan 0.000 0.537 194 K N 0.336 120.785 120.400 0.081 0.000 2.110 194 K HA 0.585 4.905 4.320 0.000 0.000 0.263 194 K C 0.368 176.974 176.600 0.011 0.000 0.975 194 K CA -0.671 55.602 56.287 -0.022 0.000 0.895 194 K CB 1.022 33.441 32.500 -0.135 0.000 1.060 194 K HN 0.215 nan 8.250 nan 0.000 0.448 195 R N 1.871 122.282 120.500 -0.149 0.000 2.407 195 R HA 0.339 4.679 4.340 0.000 0.000 0.303 195 R C -1.086 175.029 176.300 -0.309 0.000 0.981 195 R CA -0.615 55.461 56.100 -0.041 0.000 0.905 195 R CB 0.780 31.090 30.300 0.018 0.000 1.099 195 R HN 0.446 nan 8.270 nan 0.000 0.459 196 Y N 0.587 120.764 120.300 -0.205 0.000 2.425 196 Y HA 0.343 4.893 4.550 0.000 0.000 0.344 196 Y C 0.141 175.634 175.900 -0.678 0.000 0.969 196 Y CA -1.079 56.699 58.100 -0.536 0.000 1.052 196 Y CB 1.738 39.580 38.460 -1.029 0.000 1.215 196 Y HN 0.354 nan 8.280 nan 0.000 0.451 197 R N 3.605 123.707 120.500 -0.664 0.000 2.296 197 R HA 0.377 4.717 4.340 0.000 0.000 0.327 197 R C -1.653 174.239 176.300 -0.680 0.000 1.137 197 R CA -0.323 55.326 56.100 -0.751 0.000 1.020 197 R CB -0.231 29.317 30.300 -1.252 0.000 1.110 197 R HN 0.470 nan 8.270 nan 0.000 0.499 198 F N 3.012 122.617 119.950 -0.574 0.000 2.427 198 F HA 0.324 4.851 4.527 0.000 0.000 0.352 198 F C 0.756 176.168 175.800 -0.647 0.000 1.100 198 F CA -0.392 57.198 58.000 -0.683 0.000 1.191 198 F CB 1.160 39.514 39.000 -1.076 0.000 1.128 198 F HN 0.276 nan 8.300 nan 0.000 0.533 199 R N 3.707 124.100 120.500 -0.179 0.000 2.247 199 R HA 0.361 4.701 4.340 0.000 0.000 0.329 199 R C -1.179 175.028 176.300 -0.156 0.000 1.014 199 R CA -0.899 55.102 56.100 -0.165 0.000 0.907 199 R CB 0.838 31.072 30.300 -0.111 0.000 1.146 199 R HN 0.416 nan 8.270 nan 0.000 0.499 200 L N 4.613 125.740 121.223 -0.161 0.000 2.278 200 L HA 0.275 4.615 4.340 0.000 0.000 0.287 200 L C -0.824 175.906 176.870 -0.233 0.000 1.072 200 L CA -0.139 54.576 54.840 -0.208 0.000 0.819 200 L CB 1.286 43.239 42.059 -0.175 0.000 1.176 200 L HN 0.265 nan 8.230 nan 0.000 0.435 201 V N 3.443 123.181 119.914 -0.294 0.000 2.588 201 V HA 0.481 4.601 4.120 0.000 0.000 0.304 201 V C -0.041 175.754 176.094 -0.499 0.000 1.042 201 V CA -0.702 61.357 62.300 -0.401 0.000 0.877 201 V CB 1.557 33.151 31.823 -0.382 0.000 0.996 201 V HN 0.751 nan 8.190 nan 0.000 0.425 202 S N 4.474 119.811 115.700 -0.605 0.000 2.422 202 S HA 0.553 5.023 4.470 0.000 0.000 0.298 202 S C 0.267 174.238 174.600 -1.048 0.000 1.118 202 S CA -0.591 57.266 58.200 -0.572 0.000 1.083 202 S CB 0.320 63.314 63.200 -0.344 0.000 0.971 202 S HN 0.640 nan 8.310 nan 0.000 0.478 203 L N 3.973 124.676 121.223 -0.867 0.000 2.791 203 L HA 0.316 4.656 4.340 0.000 0.000 0.239 203 L C 1.106 177.776 176.870 -0.334 0.000 1.203 203 L CA -0.366 53.803 54.840 -1.119 0.000 1.002 203 L CB -0.061 41.673 42.059 -0.541 0.000 1.295 203 L HN 0.562 nan 8.230 nan 0.000 0.504 204 S N -0.883 114.702 115.700 -0.191 0.000 2.568 204 S HA 0.022 4.492 4.470 0.000 0.000 0.282 204 S C 1.052 175.835 174.600 0.304 0.000 1.338 204 S CA -0.464 57.808 58.200 0.120 0.000 1.045 204 S CB 1.016 64.281 63.200 0.108 0.000 0.873 204 S HN 0.395 nan 8.310 nan 0.000 0.516 205 c N 2.918 121.686 118.600 0.279 0.000 2.791 205 c HA 0.342 4.912 4.570 0.000 0.000 0.270 205 c C 1.388 175.544 174.090 0.111 0.000 1.257 205 c CA 0.050 56.424 56.329 0.075 0.000 1.699 205 c CB -1.051 41.324 42.510 -0.225 0.000 1.904 205 c HN 1.004 nan 8.230 nan 0.000 0.603 206 D N -1.358 119.152 120.400 0.183 0.000 2.020 206 D HA 0.059 4.699 4.640 0.000 0.000 0.321 206 D C -2.536 173.787 176.300 0.038 0.000 1.334 206 D CA 0.340 54.454 54.000 0.191 0.000 1.243 206 D CB -0.887 40.180 40.800 0.446 0.000 2.339 206 D HN -0.030 nan 8.370 nan 0.000 0.357 207 P HA 0.141 nan 4.420 nan 0.000 0.262 207 P C -0.432 176.485 177.300 -0.638 0.000 1.182 207 P CA 0.381 63.111 63.100 -0.617 0.000 0.761 207 P CB 0.098 31.285 31.700 -0.854 0.000 0.795 208 N N 2.485 120.838 118.700 -0.577 0.000 2.472 208 N HA 0.275 5.015 4.740 0.000 0.000 0.289 208 N C -1.130 173.937 175.510 -0.737 0.000 1.156 208 N CA -0.499 52.215 53.050 -0.559 0.000 0.940 208 N CB 1.105 39.247 38.487 -0.576 0.000 1.200 208 N HN 0.225 nan 8.380 nan 0.000 0.511 209 Y N -0.701 119.432 120.300 -0.278 0.000 2.446 209 Y HA 0.276 4.826 4.550 0.000 0.000 0.345 209 Y C 0.002 175.814 175.900 -0.147 0.000 0.984 209 Y CA -0.767 57.225 58.100 -0.180 0.000 1.058 209 Y CB 2.313 40.713 38.460 -0.101 0.000 1.220 209 Y HN 0.408 nan 8.280 nan 0.000 0.455 210 T N 4.545 119.141 114.554 0.070 0.000 2.811 210 T HA 0.252 4.602 4.350 0.000 0.000 0.309 210 T C -1.013 173.757 174.700 0.116 0.000 1.005 210 T CA -0.290 61.834 62.100 0.039 0.000 0.955 210 T CB -0.554 68.315 68.868 0.002 0.000 0.970 210 T HN 0.380 nan 8.240 nan 0.000 0.496 211 F N 4.049 123.967 119.950 -0.054 0.000 2.408 211 F HA 0.598 5.125 4.527 0.000 0.000 0.344 211 F C 0.379 176.100 175.800 -0.131 0.000 1.112 211 F CA -0.283 57.669 58.000 -0.080 0.000 1.096 211 F CB 0.800 39.742 39.000 -0.096 0.000 1.129 211 F HN 0.555 nan 8.300 nan 0.000 0.486 212 S N 5.807 121.058 115.700 -0.748 0.000 2.570 212 S HA 0.725 5.195 4.470 0.000 0.000 0.270 212 S C -1.325 172.875 174.600 -0.665 0.000 1.149 212 S CA -0.950 56.919 58.200 -0.551 0.000 0.837 212 S CB 1.578 64.611 63.200 -0.278 0.000 1.124 212 S HN 0.568 nan 8.310 nan 0.000 0.465 213 I N 1.724 122.055 120.570 -0.399 0.000 2.439 213 I HA 0.306 4.476 4.170 0.000 0.000 0.285 213 I C -1.107 174.977 176.117 -0.054 0.000 1.021 213 I CA -0.682 60.462 61.300 -0.259 0.000 1.091 213 I CB 1.757 39.606 38.000 -0.250 0.000 1.242 213 I HN 0.617 nan 8.210 nan 0.000 0.439 214 D N 5.166 125.585 120.400 0.032 0.000 2.533 214 D HA 0.131 4.771 4.640 0.000 0.000 0.236 214 D C 1.281 177.742 176.300 0.267 0.000 1.137 214 D CA 1.465 55.549 54.000 0.140 0.000 0.867 214 D CB 0.800 41.726 40.800 0.209 0.000 1.170 214 D HN 0.930 nan 8.370 nan 0.000 0.474 215 G N 1.770 110.637 108.800 0.111 0.000 2.189 215 G HA2 -0.276 3.684 3.960 0.000 0.000 0.267 215 G HA3 -0.276 3.684 3.960 0.000 0.000 0.267 215 G C 0.057 174.757 174.900 -0.332 0.000 0.975 215 G CA 0.616 45.679 45.100 -0.061 0.000 0.644 215 G HN 0.681 nan 8.290 nan 0.000 0.537 216 H N -0.339 118.660 119.070 -0.119 0.000 2.690 216 H HA 0.654 5.210 4.556 0.000 0.000 0.368 216 H C 0.161 175.447 175.328 -0.070 0.000 1.150 216 H CA -0.829 55.163 56.048 -0.093 0.000 1.174 216 H CB 1.113 30.819 29.762 -0.093 0.000 1.684 216 H HN 0.132 nan 8.280 nan 0.000 0.538 217 N N 1.052 119.796 118.700 0.072 0.000 2.502 217 N HA 0.512 5.252 4.740 0.000 0.000 0.280 217 N C -0.855 174.686 175.510 0.053 0.000 1.223 217 N CA -0.419 52.648 53.050 0.028 0.000 0.966 217 N CB 1.171 39.673 38.487 0.025 0.000 1.203 217 N HN 0.481 nan 8.380 nan 0.000 0.565 218 M N 0.462 120.065 119.600 0.005 0.000 2.224 218 M HA 0.215 4.695 4.480 0.000 0.000 0.281 218 M C -1.082 175.271 176.300 0.088 0.000 1.025 218 M CA -0.549 54.770 55.300 0.031 0.000 0.954 218 M CB 2.144 34.537 32.600 -0.346 0.000 1.639 218 M HN 0.143 nan 8.290 nan 0.000 0.461 219 T N 4.175 118.847 114.554 0.196 0.000 2.781 219 T HA 0.507 4.857 4.350 0.000 0.000 0.305 219 T C 0.214 175.034 174.700 0.199 0.000 1.001 219 T CA -0.375 61.819 62.100 0.158 0.000 0.950 219 T CB 0.025 68.981 68.868 0.148 0.000 0.955 219 T HN 0.464 nan 8.240 nan 0.000 0.471 220 I N 4.675 125.333 120.570 0.146 0.000 2.618 220 I HA 0.143 4.314 4.170 0.000 0.000 0.284 220 I C 1.339 177.547 176.117 0.152 0.000 1.146 220 I CA 0.302 61.699 61.300 0.161 0.000 1.425 220 I CB 0.607 38.653 38.000 0.076 0.000 1.383 220 I HN 0.710 nan 8.210 nan 0.000 0.562 221 I N 1.965 122.629 120.570 0.157 0.000 4.338 221 I HA 0.465 4.635 4.170 0.000 0.000 0.329 221 I C 0.116 176.299 176.117 0.109 0.000 1.378 221 I CA -0.059 61.320 61.300 0.131 0.000 1.170 221 I CB 0.544 38.630 38.000 0.142 0.000 1.206 221 I HN 0.561 nan 8.210 nan 0.000 0.432 222 E N 1.795 122.068 120.200 0.120 0.000 2.381 222 E HA 0.305 4.655 4.350 0.000 0.000 0.286 222 E C -1.445 175.203 176.600 0.079 0.000 0.960 222 E CA -0.341 56.096 56.400 0.061 0.000 0.793 222 E CB 2.443 32.137 29.700 -0.011 0.000 1.225 222 E HN 0.157 nan 8.360 nan 0.000 0.420 223 T N 2.243 116.785 114.554 -0.019 0.000 2.881 223 T HA 0.330 4.680 4.350 0.000 0.000 0.291 223 T C -0.643 173.886 174.700 -0.286 0.000 0.990 223 T CA -0.326 61.667 62.100 -0.179 0.000 0.976 223 T CB 0.765 69.632 68.868 -0.002 0.000 0.970 223 T HN 0.506 nan 8.240 nan 0.000 0.438 224 D N 3.113 123.251 120.400 -0.436 0.000 2.686 224 D HA -0.171 4.469 4.640 0.000 0.000 0.235 224 D C 0.847 176.900 176.300 -0.412 0.000 1.160 224 D CA 1.752 55.509 54.000 -0.405 0.000 0.645 224 D CB -1.564 39.044 40.800 -0.321 0.000 1.039 224 D HN 0.900 nan 8.370 nan 0.000 0.423 225 S N -3.118 112.295 115.700 -0.478 0.000 2.857 225 S HA -0.268 4.202 4.470 0.000 0.000 0.268 225 S C 0.383 174.840 174.600 -0.238 0.000 1.297 225 S CA 0.746 58.634 58.200 -0.520 0.000 1.280 225 S CB -0.841 61.851 63.200 -0.845 0.000 1.562 225 S HN 0.460 nan 8.310 nan 0.000 0.661 226 I N 3.217 123.698 120.570 -0.149 0.000 2.336 226 I HA 0.325 4.495 4.170 0.000 0.000 0.292 226 I C 0.295 176.406 176.117 -0.009 0.000 0.991 226 I CA -0.681 60.593 61.300 -0.044 0.000 1.227 226 I CB 0.715 38.724 38.000 0.015 0.000 1.366 226 I HN 0.063 nan 8.210 nan 0.000 0.466 227 N N 4.602 123.311 118.700 0.014 0.000 2.412 227 N HA 0.092 4.832 4.740 0.000 0.000 0.258 227 N C -0.368 175.181 175.510 0.066 0.000 1.236 227 N CA 0.363 53.439 53.050 0.043 0.000 0.882 227 N CB 0.420 38.937 38.487 0.050 0.000 1.066 227 N HN 0.530 nan 8.380 nan 0.000 0.465 228 T N 0.353 114.957 114.554 0.084 0.000 2.863 228 T HA 0.570 4.920 4.350 0.000 0.000 0.285 228 T C 0.184 174.951 174.700 0.111 0.000 1.009 228 T CA -0.759 61.405 62.100 0.106 0.000 0.989 228 T CB 1.730 70.668 68.868 0.117 0.000 1.004 228 T HN 0.522 nan 8.240 nan 0.000 0.455 229 A N 3.648 126.543 122.820 0.126 0.000 2.511 229 A HA 0.442 4.762 4.320 0.000 0.000 0.242 229 A C -2.293 175.357 177.584 0.111 0.000 1.069 229 A CA -0.961 51.146 52.037 0.117 0.000 0.763 229 A CB -0.705 18.377 19.000 0.136 0.000 1.001 229 A HN 0.521 nan 8.150 nan 0.000 0.498 230 P HA 0.181 nan 4.420 nan 0.000 0.261 230 P C -0.858 176.495 177.300 0.088 0.000 1.183 230 P CA 0.413 63.570 63.100 0.094 0.000 0.761 230 P CB 0.298 32.048 31.700 0.084 0.000 0.785 231 L N 5.535 126.808 121.223 0.082 0.000 2.404 231 L HA 0.341 4.681 4.340 0.000 0.000 0.272 231 L C -1.048 175.850 176.870 0.047 0.000 0.980 231 L CA -0.641 54.236 54.840 0.062 0.000 0.836 231 L CB 1.881 43.970 42.059 0.050 0.000 1.238 231 L HN 0.001 nan 8.230 nan 0.000 0.408 232 V N 5.960 125.898 119.914 0.040 0.000 2.508 232 V HA 0.444 4.564 4.120 0.000 0.000 0.281 232 V C 0.134 176.229 176.094 0.002 0.000 1.041 232 V CA -0.114 62.204 62.300 0.031 0.000 1.016 232 V CB 1.229 33.072 31.823 0.032 0.000 0.984 232 V HN 0.586 nan 8.190 nan 0.000 0.478 233 V N 3.654 123.556 119.914 -0.020 0.000 3.001 233 V HA 0.392 4.512 4.120 0.000 0.000 0.314 233 V C 0.429 176.480 176.094 -0.071 0.000 1.099 233 V CA -0.320 61.946 62.300 -0.057 0.000 0.989 233 V CB 2.395 34.157 31.823 -0.101 0.000 1.040 233 V HN 0.880 nan 8.190 nan 0.000 0.434 234 D N 0.774 121.130 120.400 -0.073 0.000 2.259 234 D HA 0.145 4.785 4.640 0.000 0.000 0.216 234 D C 0.537 176.775 176.300 -0.104 0.000 0.961 234 D CA 1.315 55.270 54.000 -0.074 0.000 0.878 234 D CB 0.520 41.287 40.800 -0.054 0.000 1.009 234 D HN 0.686 nan 8.370 nan 0.000 0.490 235 S N -1.106 114.530 115.700 -0.105 0.000 2.570 235 S HA 0.618 5.088 4.470 0.000 0.000 0.270 235 S C -1.034 173.502 174.600 -0.107 0.000 1.149 235 S CA -0.977 57.159 58.200 -0.106 0.000 0.837 235 S CB 1.473 64.625 63.200 -0.081 0.000 1.124 235 S HN 0.020 nan 8.310 nan 0.000 0.465 236 I N 1.248 121.775 120.570 -0.071 0.000 2.466 236 I HA 0.423 4.593 4.170 0.000 0.000 0.289 236 I C -0.494 175.592 176.117 -0.052 0.000 1.026 236 I CA -0.437 60.792 61.300 -0.117 0.000 1.078 236 I CB 2.160 40.048 38.000 -0.187 0.000 1.249 236 I HN 0.745 nan 8.210 nan 0.000 0.429 237 Q N 6.860 126.607 119.800 -0.088 0.000 2.398 237 Q HA 0.523 4.863 4.340 0.000 0.000 0.251 237 Q C -1.313 174.575 176.000 -0.188 0.000 0.999 237 Q CA -0.415 55.293 55.803 -0.159 0.000 0.874 237 Q CB 1.609 30.237 28.738 -0.184 0.000 1.215 237 Q HN 0.660 nan 8.270 nan 0.000 0.470 238 I N 4.349 124.809 120.570 -0.183 0.000 2.378 238 I HA 0.394 4.564 4.170 0.000 0.000 0.291 238 I C -1.228 174.720 176.117 -0.282 0.000 0.992 238 I CA -0.792 60.469 61.300 -0.064 0.000 1.154 238 I CB 0.614 38.653 38.000 0.064 0.000 1.315 238 I HN 0.569 nan 8.210 nan 0.000 0.448 239 F N 5.566 125.516 119.950 -0.000 0.000 2.368 239 F HA 0.563 5.090 4.527 0.000 0.000 0.315 239 F C 1.071 176.801 175.800 -0.118 0.000 1.145 239 F CA -0.499 57.470 58.000 -0.052 0.000 1.095 239 F CB 0.563 39.548 39.000 -0.025 0.000 1.286 239 F HN 0.465 nan 8.300 nan 0.000 0.530 240 A N 1.013 123.876 122.820 0.072 0.000 2.566 240 A HA 0.355 4.675 4.320 0.000 0.000 0.245 240 A C 0.976 178.387 177.584 -0.290 0.000 1.056 240 A CA 0.421 52.409 52.037 -0.081 0.000 0.757 240 A CB -1.130 17.900 19.000 0.051 0.000 0.979 240 A HN 1.879 nan 8.150 nan 0.000 0.508 241 A N 1.507 124.010 122.820 -0.528 0.000 3.383 241 A HA -0.198 4.122 4.320 0.000 0.000 0.264 241 A C 0.649 177.915 177.584 -0.531 0.000 1.154 241 A CA 1.688 53.347 52.037 -0.630 0.000 1.179 241 A CB -2.430 16.019 19.000 -0.919 0.000 1.133 241 A HN 0.966 nan 8.150 nan 0.000 0.933 242 Q N -1.127 118.444 119.800 -0.382 0.000 2.396 242 Q HA 0.631 4.971 4.340 0.000 0.000 0.221 242 Q C 0.063 175.795 176.000 -0.447 0.000 1.025 242 Q CA -0.060 55.530 55.803 -0.355 0.000 0.946 242 Q CB 0.391 29.001 28.738 -0.213 0.000 1.224 242 Q HN 0.537 nan 8.270 nan 0.000 0.539 243 R N -0.100 120.083 120.500 -0.528 0.000 2.707 243 R HA 0.565 4.905 4.340 0.000 0.000 0.272 243 R C -1.751 174.185 176.300 -0.606 0.000 1.011 243 R CA -0.582 55.238 56.100 -0.466 0.000 0.893 243 R CB 1.336 31.388 30.300 -0.414 0.000 1.233 243 R HN 0.483 nan 8.270 nan 0.000 0.464 244 Y N -0.889 119.328 120.300 -0.139 0.000 2.482 244 Y HA 0.439 4.989 4.550 0.000 0.000 0.334 244 Y C -0.657 175.214 175.900 -0.047 0.000 1.091 244 Y CA -0.598 57.467 58.100 -0.058 0.000 1.027 244 Y CB 2.824 41.293 38.460 0.015 0.000 1.306 244 Y HN 0.471 nan 8.280 nan 0.000 0.446 245 S N 4.091 119.867 115.700 0.126 0.000 2.462 245 S HA 0.766 5.236 4.470 0.000 0.000 0.294 245 S C -1.235 173.440 174.600 0.124 0.000 1.144 245 S CA -0.592 57.608 58.200 -0.001 0.000 1.088 245 S CB 0.207 63.369 63.200 -0.064 0.000 1.009 245 S HN 0.438 nan 8.310 nan 0.000 0.484 246 F N 0.583 120.573 119.950 0.066 0.000 2.578 246 F HA 0.797 5.324 4.527 0.000 0.000 0.311 246 F C -1.094 174.768 175.800 0.104 0.000 1.094 246 F CA -1.326 56.727 58.000 0.088 0.000 0.923 246 F CB 0.482 39.538 39.000 0.093 0.000 1.230 246 F HN 0.196 nan 8.300 nan 0.000 0.450 247 V N 4.366 124.460 119.914 0.300 0.000 2.439 247 V HA 0.465 4.585 4.120 0.000 0.000 0.282 247 V C -0.394 175.928 176.094 0.380 0.000 1.039 247 V CA -0.632 61.793 62.300 0.208 0.000 0.913 247 V CB 1.392 33.326 31.823 0.185 0.000 0.983 247 V HN 0.888 nan 8.190 nan 0.000 0.460 248 L N 4.411 125.854 121.223 0.367 0.000 2.356 248 L HA 0.608 4.948 4.340 0.000 0.000 0.277 248 L C -0.216 176.855 176.870 0.335 0.000 0.996 248 L CA -0.308 54.797 54.840 0.442 0.000 0.822 248 L CB 1.797 44.264 42.059 0.681 0.000 1.256 248 L HN 0.642 nan 8.230 nan 0.000 0.413 249 E N 4.064 124.434 120.200 0.283 0.000 2.146 249 E HA 0.351 4.701 4.350 0.000 0.000 0.282 249 E C -0.341 176.420 176.600 0.268 0.000 0.989 249 E CA -0.607 55.935 56.400 0.236 0.000 0.799 249 E CB 1.717 31.516 29.700 0.165 0.000 1.088 249 E HN 0.707 nan 8.360 nan 0.000 0.397 250 A N 4.031 126.991 122.820 0.233 0.000 3.026 250 A HA 0.007 4.327 4.320 0.000 0.000 0.272 250 A C 0.467 178.240 177.584 0.316 0.000 1.782 250 A CA -0.265 51.869 52.037 0.161 0.000 1.451 250 A CB -0.943 17.951 19.000 -0.177 0.000 1.081 250 A HN 0.627 nan 8.150 nan 0.000 0.611 251 N N -0.455 118.427 118.700 0.303 0.000 2.205 251 N HA 0.040 4.781 4.740 0.000 0.000 0.201 251 N C 0.258 175.840 175.510 0.120 0.000 1.128 251 N CA -0.101 53.064 53.050 0.191 0.000 0.867 251 N CB 0.229 38.779 38.487 0.105 0.000 0.996 251 N HN 0.421 nan 8.380 nan 0.000 0.503 252 Q N 0.581 120.448 119.800 0.112 0.000 2.185 252 Q HA 0.535 4.875 4.340 0.000 0.000 0.225 252 Q C -0.136 175.765 176.000 -0.166 0.000 0.983 252 Q CA -0.677 55.050 55.803 -0.128 0.000 0.950 252 Q CB 0.823 29.299 28.738 -0.437 0.000 1.176 252 Q HN 0.315 nan 8.270 nan 0.000 0.510 253 A N 0.521 123.260 122.820 -0.135 0.000 2.531 253 A HA 0.165 4.485 4.320 0.000 0.000 0.236 253 A C 0.030 177.426 177.584 -0.313 0.000 1.062 253 A CA -0.343 51.616 52.037 -0.131 0.000 0.760 253 A CB 0.013 18.971 19.000 -0.070 0.000 0.995 253 A HN 0.427 nan 8.150 nan 0.000 0.501 254 V N 4.105 123.903 119.914 -0.193 0.000 2.475 254 V HA 0.186 4.306 4.120 0.000 0.000 0.292 254 V C 0.391 176.391 176.094 -0.158 0.000 1.003 254 V CA 1.124 63.340 62.300 -0.141 0.000 1.120 254 V CB -0.398 31.462 31.823 0.061 0.000 0.937 254 V HN 1.067 nan 8.190 nan 0.000 0.476 255 D N 3.416 123.718 120.400 -0.162 0.000 2.809 255 D HA 0.190 4.831 4.640 0.000 0.000 0.336 255 D C -1.336 174.867 176.300 -0.163 0.000 1.367 255 D CA -0.657 53.206 54.000 -0.229 0.000 0.815 255 D CB 1.278 41.790 40.800 -0.480 0.000 1.381 255 D HN 0.392 nan 8.370 nan 0.000 0.471 256 N N 0.563 119.045 118.700 -0.363 0.000 2.421 256 N HA 0.392 5.132 4.740 0.000 0.000 0.285 256 N C -1.105 174.087 175.510 -0.530 0.000 1.027 256 N CA -0.099 52.782 53.050 -0.281 0.000 0.918 256 N CB 1.169 39.462 38.487 -0.323 0.000 1.152 256 N HN 0.244 nan 8.380 nan 0.000 0.485 257 Y N -0.143 120.066 120.300 -0.152 0.000 2.425 257 Y HA 0.312 4.862 4.550 0.000 0.000 0.344 257 Y C -0.218 175.614 175.900 -0.114 0.000 0.969 257 Y CA -0.906 57.121 58.100 -0.120 0.000 1.052 257 Y CB 1.234 39.708 38.460 0.023 0.000 1.215 257 Y HN 0.420 nan 8.280 nan 0.000 0.451 258 W N 4.217 125.516 121.300 -0.003 0.000 2.253 258 W HA 0.437 5.097 4.660 0.000 0.000 0.322 258 W C -0.485 175.931 176.519 -0.172 0.000 1.342 258 W CA -0.166 57.113 57.345 -0.110 0.000 1.218 258 W CB 0.487 29.834 29.460 -0.188 0.000 1.205 258 W HN 0.252 nan 8.180 nan 0.000 0.551 259 I N 4.940 125.586 120.570 0.127 0.000 2.330 259 I HA 0.305 4.475 4.170 0.000 0.000 0.289 259 I C 0.003 176.003 176.117 -0.195 0.000 1.001 259 I CA -0.841 60.372 61.300 -0.145 0.000 1.193 259 I CB 0.713 38.651 38.000 -0.103 0.000 1.345 259 I HN 0.313 nan 8.210 nan 0.000 0.461 260 R N 5.295 125.563 120.500 -0.386 0.000 2.460 260 R HA 0.771 5.111 4.340 0.000 0.000 0.303 260 R C -0.530 175.671 176.300 -0.165 0.000 0.968 260 R CA -0.664 55.298 56.100 -0.230 0.000 0.889 260 R CB 1.890 31.960 30.300 -0.384 0.000 1.123 260 R HN 0.676 nan 8.270 nan 0.000 0.455 261 A N 3.006 125.875 122.820 0.081 0.000 2.943 261 A HA 0.223 4.543 4.320 0.000 0.000 0.327 261 A C -0.981 176.702 177.584 0.166 0.000 1.141 261 A CA -0.712 51.389 52.037 0.107 0.000 0.773 261 A CB 0.299 19.264 19.000 -0.060 0.000 1.143 261 A HN 0.613 nan 8.150 nan 0.000 0.463 262 N N 3.434 122.241 118.700 0.177 0.000 2.408 262 N HA 0.416 5.156 4.740 0.000 0.000 0.257 262 N C -2.566 172.960 175.510 0.026 0.000 1.064 262 N CA -1.570 51.481 53.050 0.002 0.000 0.952 262 N CB 1.428 39.891 38.487 -0.039 0.000 1.093 262 N HN 0.362 nan 8.380 nan 0.000 0.490 263 P HA 0.128 nan 4.420 nan 0.000 0.277 263 P C 0.048 177.154 177.300 -0.324 0.000 1.240 263 P CA -0.316 62.575 63.100 -0.347 0.000 0.798 263 P CB 0.862 32.320 31.700 -0.404 0.000 0.979 264 N N 1.504 119.973 118.700 -0.385 0.000 2.381 264 N HA -0.083 4.657 4.740 0.000 0.000 0.182 264 N C 0.376 175.880 175.510 -0.011 0.000 1.025 264 N CA 0.932 53.886 53.050 -0.160 0.000 0.888 264 N CB -0.643 37.809 38.487 -0.060 0.000 0.965 264 N HN 0.527 nan 8.380 nan 0.000 0.438 265 F N -4.273 115.597 119.950 -0.132 0.000 2.741 265 F HA 0.738 5.265 4.527 0.000 0.000 0.313 265 F C 0.528 176.265 175.800 -0.104 0.000 1.153 265 F CA -0.501 57.439 58.000 -0.101 0.000 0.931 265 F CB 1.150 40.106 39.000 -0.073 0.000 1.335 265 F HN 0.162 nan 8.300 nan 0.000 0.460 266 G N 1.417 110.318 108.800 0.169 0.000 2.601 266 G HA2 -0.133 3.827 3.960 0.000 0.000 0.224 266 G HA3 -0.133 3.827 3.960 0.000 0.000 0.224 266 G C -1.387 173.481 174.900 -0.054 0.000 1.171 266 G CA -0.406 44.716 45.100 0.037 0.000 1.009 266 G HN 0.931 nan 8.290 nan 0.000 0.589 267 N N 1.957 120.588 118.700 -0.115 0.000 2.602 267 N HA 0.418 5.158 4.740 0.000 0.000 0.238 267 N C 0.669 176.071 175.510 -0.181 0.000 1.084 267 N CA 0.620 53.591 53.050 -0.131 0.000 0.952 267 N CB 1.064 39.470 38.487 -0.135 0.000 1.244 267 N HN 1.068 nan 8.380 nan 0.000 0.512 268 V N -0.644 119.160 119.914 -0.183 0.000 3.036 268 V HA 0.949 5.069 4.120 0.000 0.000 0.308 268 V C 0.960 176.841 176.094 -0.355 0.000 1.070 268 V CA -0.108 62.035 62.300 -0.262 0.000 1.056 268 V CB 0.725 32.432 31.823 -0.192 0.000 1.084 268 V HN 0.734 nan 8.190 nan 0.000 0.471 269 G N 1.700 110.142 108.800 -0.598 0.000 2.660 269 G HA2 -0.107 3.853 3.960 0.000 0.000 0.247 269 G HA3 -0.107 3.853 3.960 0.000 0.000 0.247 269 G C -0.774 173.470 174.900 -1.093 0.000 1.328 269 G CA 0.086 44.761 45.100 -0.708 0.000 0.884 269 G HN 1.383 nan 8.290 nan 0.000 0.531 270 F N 0.389 120.235 119.950 -0.174 0.000 2.817 270 F HA 0.331 4.858 4.527 0.000 0.000 0.319 270 F C 1.412 177.071 175.800 -0.236 0.000 1.136 270 F CA 0.066 57.912 58.000 -0.256 0.000 1.177 270 F CB 0.820 39.598 39.000 -0.370 0.000 1.088 270 F HN 0.432 nan 8.300 nan 0.000 0.520 271 T N 0.876 115.398 114.554 -0.054 0.000 2.908 271 T HA 0.325 4.675 4.350 0.000 0.000 0.301 271 T C 1.282 175.955 174.700 -0.045 0.000 1.019 271 T CA 1.433 63.508 62.100 -0.042 0.000 1.152 271 T CB 0.489 69.331 68.868 -0.043 0.000 0.966 271 T HN 0.733 nan 8.240 nan 0.000 0.540 272 G N 2.458 111.244 108.800 -0.022 0.000 2.189 272 G HA2 -0.094 3.866 3.960 0.000 0.000 0.267 272 G HA3 -0.094 3.866 3.960 0.000 0.000 0.267 272 G C 1.006 175.901 174.900 -0.008 0.000 0.975 272 G CA 0.379 45.479 45.100 -0.000 0.000 0.644 272 G HN 1.957 nan 8.290 nan 0.000 0.537 273 G N -0.682 108.062 108.800 -0.093 0.000 2.141 273 G HA2 -0.125 3.835 3.960 0.000 0.000 0.242 273 G HA3 -0.125 3.835 3.960 0.000 0.000 0.242 273 G C 0.685 175.510 174.900 -0.125 0.000 0.982 273 G CA 0.710 45.694 45.100 -0.192 0.000 0.662 273 G HN 2.190 nan 8.290 nan 0.000 0.527 274 I N -3.027 117.491 120.570 -0.087 0.000 3.194 274 I HA 0.433 4.603 4.170 0.000 0.000 0.283 274 I C 1.030 177.103 176.117 -0.072 0.000 1.199 274 I CA 0.571 61.828 61.300 -0.072 0.000 1.328 274 I CB 0.014 37.958 38.000 -0.093 0.000 1.404 274 I HN 0.228 nan 8.210 nan 0.000 0.618 275 N N 1.061 119.721 118.700 -0.066 0.000 2.708 275 N HA -0.184 4.556 4.740 0.000 0.000 0.249 275 N C -0.940 174.603 175.510 0.056 0.000 1.097 275 N CA 0.736 53.760 53.050 -0.043 0.000 0.710 275 N CB -0.807 37.576 38.487 -0.174 0.000 1.032 275 N HN 0.724 nan 8.380 nan 0.000 0.551 276 S N -1.047 114.660 115.700 0.012 0.000 2.661 276 S HA 0.956 5.426 4.470 0.000 0.000 0.285 276 S C -0.408 174.246 174.600 0.090 0.000 1.138 276 S CA -0.261 57.948 58.200 0.015 0.000 0.855 276 S CB 2.613 65.700 63.200 -0.188 0.000 1.136 276 S HN 0.416 nan 8.310 nan 0.000 0.484 277 A N 0.548 123.469 122.820 0.168 0.000 2.568 277 A HA 0.874 5.194 4.320 0.000 0.000 0.291 277 A C -1.919 175.781 177.584 0.193 0.000 1.159 277 A CA -0.714 51.412 52.037 0.148 0.000 0.679 277 A CB 0.795 19.829 19.000 0.058 0.000 1.285 277 A HN 0.684 nan 8.150 nan 0.000 0.428 278 I N 0.519 121.134 120.570 0.076 0.000 2.436 278 I HA 0.395 4.565 4.170 0.000 0.000 0.289 278 I C -1.175 174.925 176.117 -0.029 0.000 1.010 278 I CA -0.661 60.641 61.300 0.004 0.000 1.098 278 I CB 1.803 39.766 38.000 -0.063 0.000 1.266 278 I HN 0.498 nan 8.210 nan 0.000 0.434 279 L N 7.324 128.536 121.223 -0.018 0.000 2.255 279 L HA 0.461 4.801 4.340 0.000 0.000 0.289 279 L C -0.195 176.729 176.870 0.090 0.000 1.046 279 L CA 0.002 54.829 54.840 -0.021 0.000 0.816 279 L CB 0.587 42.608 42.059 -0.063 0.000 1.197 279 L HN 0.572 nan 8.230 nan 0.000 0.427 280 R N 4.077 124.608 120.500 0.052 0.000 2.337 280 R HA 0.345 4.686 4.340 0.000 0.000 0.319 280 R C -1.315 175.073 176.300 0.147 0.000 0.954 280 R CA -0.619 55.547 56.100 0.110 0.000 0.840 280 R CB 0.635 30.950 30.300 0.024 0.000 1.164 280 R HN 0.482 nan 8.270 nan 0.000 0.472 281 Y N 2.018 122.354 120.300 0.059 0.000 2.480 281 Y HA 0.001 4.551 4.550 0.000 0.000 0.338 281 Y C 0.505 176.430 175.900 0.041 0.000 1.220 281 Y CA 0.366 58.507 58.100 0.068 0.000 1.430 281 Y CB 0.502 39.035 38.460 0.122 0.000 1.311 281 Y HN 0.539 nan 8.280 nan 0.000 0.575 282 D N 1.280 121.761 120.400 0.135 0.000 2.455 282 D HA 0.285 4.925 4.640 0.000 0.000 0.241 282 D C 1.188 177.558 176.300 0.117 0.000 1.138 282 D CA 1.582 55.639 54.000 0.094 0.000 0.877 282 D CB 0.833 41.676 40.800 0.072 0.000 1.187 282 D HN 0.804 nan 8.370 nan 0.000 0.451 283 G N 0.943 109.789 108.800 0.076 0.000 2.254 283 G HA2 -0.169 3.791 3.960 0.000 0.000 0.225 283 G HA3 -0.169 3.791 3.960 0.000 0.000 0.225 283 G C 0.507 175.434 174.900 0.045 0.000 1.003 283 G CA 0.164 45.300 45.100 0.060 0.000 0.622 283 G HN 0.865 nan 8.290 nan 0.000 0.507 284 A N 0.637 123.494 122.820 0.061 0.000 2.407 284 A HA 0.847 5.167 4.320 0.000 0.000 0.248 284 A C 0.976 178.556 177.584 -0.006 0.000 1.082 284 A CA 1.090 53.139 52.037 0.021 0.000 0.785 284 A CB 0.482 19.506 19.000 0.040 0.000 1.020 284 A HN 2.100 nan 8.150 nan 0.000 0.489 285 A N 0.877 123.676 122.820 -0.035 0.000 2.386 285 A HA 0.538 4.858 4.320 0.000 0.000 0.248 285 A C 0.787 178.341 177.584 -0.050 0.000 1.082 285 A CA 0.198 52.211 52.037 -0.040 0.000 0.789 285 A CB -0.039 18.931 19.000 -0.051 0.000 1.025 285 A HN 2.115 nan 8.150 nan 0.000 0.490 286 A N 1.563 124.359 122.820 -0.040 0.000 2.915 286 A HA 0.501 4.821 4.320 0.000 0.000 0.292 286 A C 0.200 177.748 177.584 -0.059 0.000 1.632 286 A CA 0.275 52.285 52.037 -0.044 0.000 1.337 286 A CB -1.376 17.608 19.000 -0.027 0.000 1.111 286 A HN 2.031 nan 8.150 nan 0.000 0.569 287 V N -0.925 118.934 119.914 -0.092 0.000 3.181 287 V HA 0.573 4.693 4.120 0.000 0.000 0.308 287 V C -0.412 175.575 176.094 -0.178 0.000 1.214 287 V CA -1.234 61.001 62.300 -0.108 0.000 1.053 287 V CB 1.238 32.996 31.823 -0.109 0.000 1.069 287 V HN 0.621 nan 8.190 nan 0.000 0.441 288 E N 1.660 121.744 120.200 -0.192 0.000 2.373 288 E HA 0.404 4.754 4.350 0.000 0.000 0.263 288 E C -2.396 173.876 176.600 -0.547 0.000 1.073 288 E CA -1.375 54.812 56.400 -0.355 0.000 0.894 288 E CB 0.926 30.519 29.700 -0.177 0.000 1.008 288 E HN 0.618 nan 8.360 nan 0.000 0.420 289 P HA 0.056 nan 4.420 nan 0.000 0.275 289 P C -0.025 176.843 177.300 -0.720 0.000 1.266 289 P CA -0.069 62.436 63.100 -0.991 0.000 0.793 289 P CB 0.611 31.460 31.700 -1.418 0.000 1.074 290 T N -6.218 108.080 114.554 -0.426 0.000 3.488 290 T HA 0.133 4.483 4.350 0.000 0.000 0.312 290 T C 0.186 174.852 174.700 -0.056 0.000 0.931 290 T CA -0.369 61.667 62.100 -0.106 0.000 0.982 290 T CB -1.316 67.498 68.868 -0.091 0.000 1.198 290 T HN 0.438 nan 8.240 nan 0.000 0.545 291 T N 1.850 116.329 114.554 -0.125 0.000 2.898 291 T HA 0.503 4.853 4.350 0.000 0.000 0.301 291 T C 0.441 175.209 174.700 0.113 0.000 1.049 291 T CA -0.141 61.934 62.100 -0.040 0.000 1.095 291 T CB 1.009 69.835 68.868 -0.070 0.000 0.976 291 T HN 0.468 nan 8.240 nan 0.000 0.539 292 T N 0.244 114.832 114.554 0.056 0.000 2.902 292 T HA 0.407 4.757 4.350 0.000 0.000 0.283 292 T C -0.203 174.497 174.700 0.001 0.000 1.009 292 T CA -1.043 61.077 62.100 0.034 0.000 1.051 292 T CB 1.454 70.328 68.868 0.010 0.000 0.999 292 T HN 0.866 nan 8.240 nan 0.000 0.474 293 Q N 1.549 121.312 119.800 -0.062 0.000 2.314 293 Q HA 0.427 4.767 4.340 0.000 0.000 0.258 293 Q C -0.155 175.811 176.000 -0.057 0.000 0.954 293 Q CA -0.565 55.178 55.803 -0.101 0.000 0.890 293 Q CB 0.599 29.212 28.738 -0.207 0.000 1.210 293 Q HN 0.923 nan 8.270 nan 0.000 0.410 294 T N 0.276 114.801 114.554 -0.048 0.000 2.949 294 T HA 0.414 4.764 4.350 0.000 0.000 0.287 294 T C -0.070 174.609 174.700 -0.035 0.000 1.034 294 T CA -0.809 61.272 62.100 -0.032 0.000 1.018 294 T CB 1.502 70.355 68.868 -0.024 0.000 1.135 294 T HN 0.527 nan 8.240 nan 0.000 0.532 295 T N 2.367 116.906 114.554 -0.025 0.000 2.928 295 T HA 0.248 4.598 4.350 0.000 0.000 0.305 295 T C 0.507 175.191 174.700 -0.027 0.000 1.035 295 T CA -0.091 61.996 62.100 -0.022 0.000 1.145 295 T CB 0.649 69.508 68.868 -0.015 0.000 0.963 295 T HN 0.763 nan 8.240 nan 0.000 0.545 296 S N 1.734 117.417 115.700 -0.028 0.000 2.474 296 S HA 0.234 4.704 4.470 0.000 0.000 0.276 296 S C 1.321 175.906 174.600 -0.024 0.000 1.227 296 S CA -0.518 57.662 58.200 -0.033 0.000 1.050 296 S CB 0.133 63.311 63.200 -0.037 0.000 0.939 296 S HN 0.859 nan 8.310 nan 0.000 0.490 297 T N 1.817 116.357 114.554 -0.024 0.000 3.054 297 T HA 0.455 4.806 4.350 0.000 0.000 0.255 297 T C 0.463 175.153 174.700 -0.016 0.000 1.035 297 T CA 0.168 62.258 62.100 -0.017 0.000 0.941 297 T CB 0.379 69.238 68.868 -0.014 0.000 1.026 297 T HN 0.660 nan 8.240 nan 0.000 0.533 298 A N 1.965 124.771 122.820 -0.024 0.000 3.176 298 A HA 0.657 4.977 4.320 0.000 0.000 0.265 298 A C -3.074 174.489 177.584 -0.036 0.000 0.936 298 A CA -1.314 50.709 52.037 -0.024 0.000 1.033 298 A CB 0.341 19.328 19.000 -0.022 0.000 1.158 298 A HN 0.239 nan 8.150 nan 0.000 0.485 299 P HA 0.157 nan 4.420 nan 0.000 0.266 299 P C 0.146 177.418 177.300 -0.048 0.000 1.195 299 P CA -0.116 62.959 63.100 -0.042 0.000 0.768 299 P CB 0.537 32.222 31.700 -0.026 0.000 0.838 300 L N 3.225 124.402 121.223 -0.076 0.000 2.453 300 L HA 0.283 4.623 4.340 0.000 0.000 0.272 300 L C -0.075 176.770 176.870 -0.042 0.000 1.182 300 L CA 0.716 55.499 54.840 -0.094 0.000 0.858 300 L CB -0.324 41.620 42.059 -0.191 0.000 1.120 300 L HN 0.291 nan 8.230 nan 0.000 0.474 301 N N 3.201 121.885 118.700 -0.027 0.000 2.480 301 N HA 0.128 4.868 4.740 0.000 0.000 0.289 301 N C 0.373 175.882 175.510 -0.001 0.000 1.073 301 N CA -0.323 52.727 53.050 0.001 0.000 0.885 301 N CB 1.322 39.808 38.487 -0.001 0.000 1.421 301 N HN 0.900 nan 8.380 nan 0.000 0.503 302 E N 2.018 122.237 120.200 0.033 0.000 2.169 302 E HA -0.177 4.174 4.350 0.000 0.000 0.202 302 E C 1.067 177.641 176.600 -0.042 0.000 1.016 302 E CA 1.364 57.783 56.400 0.031 0.000 0.817 302 E CB 0.335 30.069 29.700 0.056 0.000 0.736 302 E HN 0.442 nan 8.360 nan 0.000 0.462 303 V N 1.711 121.596 119.914 -0.048 0.000 2.688 303 V HA -0.225 3.895 4.120 0.000 0.000 0.256 303 V C 1.533 177.548 176.094 -0.132 0.000 1.084 303 V CA 1.578 63.831 62.300 -0.079 0.000 1.103 303 V CB -0.391 31.408 31.823 -0.039 0.000 0.688 303 V HN 0.329 nan 8.190 nan 0.000 0.480 304 N N -0.221 118.418 118.700 -0.102 0.000 2.398 304 N HA 0.143 4.883 4.740 0.000 0.000 0.188 304 N C 0.327 175.716 175.510 -0.201 0.000 1.122 304 N CA 0.222 53.219 53.050 -0.089 0.000 0.866 304 N CB 0.162 38.644 38.487 -0.009 0.000 0.970 304 N HN 0.391 nan 8.380 nan 0.000 0.462 305 L N 0.999 122.062 121.223 -0.266 0.000 2.305 305 L HA 0.269 4.609 4.340 0.000 0.000 0.281 305 L C -0.398 176.219 176.870 -0.422 0.000 1.085 305 L CA -0.185 54.536 54.840 -0.198 0.000 0.813 305 L CB 0.566 42.607 42.059 -0.031 0.000 1.157 305 L HN 0.057 nan 8.230 nan 0.000 0.436 306 H N 2.132 121.254 119.070 0.086 0.000 2.851 306 H HA 0.379 4.935 4.556 0.000 0.000 0.372 306 H C -2.463 172.928 175.328 0.104 0.000 1.158 306 H CA -1.802 54.302 56.048 0.095 0.000 1.159 306 H CB 1.847 31.656 29.762 0.079 0.000 1.757 306 H HN 0.363 nan 8.280 nan 0.000 0.546 307 P HA -0.096 nan 4.420 nan 0.000 0.266 307 P C 0.546 177.929 177.300 0.138 0.000 1.195 307 P CA -0.110 63.095 63.100 0.175 0.000 0.768 307 P CB 0.835 32.642 31.700 0.179 0.000 0.838 308 L N 4.798 126.081 121.223 0.101 0.000 2.056 308 L HA -0.033 4.307 4.340 0.000 0.000 0.207 308 L C 0.343 177.252 176.870 0.064 0.000 1.078 308 L CA 1.920 56.809 54.840 0.082 0.000 0.749 308 L CB -0.189 41.911 42.059 0.069 0.000 0.901 308 L HN 0.070 nan 8.230 nan 0.000 0.433 309 V N 0.826 120.771 119.914 0.052 0.000 2.472 309 V HA 0.590 4.710 4.120 0.000 0.000 0.290 309 V C 0.543 176.661 176.094 0.039 0.000 1.037 309 V CA -0.877 61.445 62.300 0.036 0.000 0.908 309 V CB 0.811 32.646 31.823 0.019 0.000 0.985 309 V HN 0.338 nan 8.190 nan 0.000 0.454 310 A N 3.714 126.557 122.820 0.039 0.000 2.561 310 A HA 0.429 4.749 4.320 0.000 0.000 0.251 310 A C 0.478 178.083 177.584 0.035 0.000 1.062 310 A CA 0.422 52.488 52.037 0.049 0.000 0.761 310 A CB -0.396 18.628 19.000 0.040 0.000 0.986 310 A HN 0.857 nan 8.150 nan 0.000 0.510 311 T N 2.589 117.180 114.554 0.062 0.000 2.906 311 T HA 0.545 4.895 4.350 0.000 0.000 0.302 311 T C 0.142 174.928 174.700 0.143 0.000 1.002 311 T CA 0.268 62.375 62.100 0.011 0.000 0.988 311 T CB 1.290 70.051 68.868 -0.178 0.000 0.972 311 T HN 1.151 nan 8.240 nan 0.000 0.447 312 A N 3.150 126.040 122.820 0.117 0.000 2.511 312 A HA 0.481 4.801 4.320 0.000 0.000 0.242 312 A C 0.533 178.293 177.584 0.293 0.000 1.069 312 A CA -0.288 51.853 52.037 0.172 0.000 0.763 312 A CB 0.073 19.138 19.000 0.107 0.000 1.001 312 A HN 0.718 nan 8.150 nan 0.000 0.498 313 V N 6.158 126.245 119.914 0.287 0.000 2.508 313 V HA 0.189 4.309 4.120 0.000 0.000 0.281 313 V C -1.520 174.699 176.094 0.209 0.000 1.041 313 V CA -0.963 61.513 62.300 0.292 0.000 1.016 313 V CB 0.678 32.639 31.823 0.230 0.000 0.984 313 V HN 0.897 nan 8.190 nan 0.000 0.478 314 P HA 0.274 nan 4.420 nan 0.000 0.267 314 P C 0.461 177.793 177.300 0.052 0.000 1.200 314 P CA 1.132 64.294 63.100 0.104 0.000 0.772 314 P CB 0.634 32.382 31.700 0.079 0.000 0.855 315 G N 2.151 110.957 108.800 0.010 0.000 2.527 315 G HA2 -0.116 3.844 3.960 0.000 0.000 0.227 315 G HA3 -0.116 3.844 3.960 0.000 0.000 0.227 315 G C -0.781 174.097 174.900 -0.036 0.000 1.291 315 G CA -0.277 44.807 45.100 -0.026 0.000 0.904 315 G HN 0.676 nan 8.290 nan 0.000 0.577 316 S N 2.188 117.833 115.700 -0.092 0.000 2.532 316 S HA 0.694 5.164 4.470 0.000 0.000 0.301 316 S C -2.167 172.240 174.600 -0.322 0.000 1.083 316 S CA -0.526 57.587 58.200 -0.144 0.000 1.025 316 S CB 2.595 65.713 63.200 -0.136 0.000 1.056 316 S HN 0.753 nan 8.310 nan 0.000 0.494 317 P HA 0.136 nan 4.420 nan 0.000 0.251 317 P C -0.889 175.851 177.300 -0.933 0.000 1.624 317 P CA 0.310 62.982 63.100 -0.714 0.000 0.907 317 P CB -0.517 31.073 31.700 -0.182 0.000 1.867 318 V N -0.132 119.185 119.914 -0.995 0.000 3.120 318 V HA 0.507 4.627 4.120 0.000 0.000 0.303 318 V C 0.057 175.911 176.094 -0.400 0.000 1.238 318 V CA -1.452 60.514 62.300 -0.556 0.000 1.008 318 V CB 1.978 33.634 31.823 -0.278 0.000 1.064 318 V HN 0.237 nan 8.190 nan 0.000 0.434 319 A N 1.722 124.430 122.820 -0.187 0.000 2.546 319 A HA 0.507 4.827 4.320 0.000 0.000 0.243 319 A C 1.570 179.095 177.584 -0.099 0.000 1.063 319 A CA 0.984 52.963 52.037 -0.096 0.000 0.757 319 A CB -0.558 18.344 19.000 -0.163 0.000 0.991 319 A HN 2.511 nan 8.150 nan 0.000 0.503 320 G N 1.868 110.632 108.800 -0.060 0.000 2.220 320 G HA2 -0.143 3.817 3.960 0.000 0.000 0.269 320 G HA3 -0.143 3.817 3.960 0.000 0.000 0.269 320 G C 1.076 175.922 174.900 -0.089 0.000 0.977 320 G CA 0.715 45.772 45.100 -0.071 0.000 0.634 320 G HN 2.111 nan 8.290 nan 0.000 0.539 321 G N -0.212 108.515 108.800 -0.121 0.000 2.894 321 G HA2 0.497 4.457 3.960 0.000 0.000 0.265 321 G HA3 0.497 4.457 3.960 0.000 0.000 0.265 321 G C -0.102 174.735 174.900 -0.105 0.000 0.735 321 G CA 0.856 45.877 45.100 -0.131 0.000 2.064 321 G HN 1.233 nan 8.290 nan 0.000 0.590 322 V N -0.176 119.683 119.914 -0.091 0.000 3.206 322 V HA 0.272 4.392 4.120 0.000 0.000 0.305 322 V C 0.227 176.263 176.094 -0.096 0.000 1.257 322 V CA -0.678 61.566 62.300 -0.094 0.000 1.057 322 V CB 2.098 33.859 31.823 -0.104 0.000 1.075 322 V HN 0.372 nan 8.190 nan 0.000 0.443 323 D N 1.028 121.364 120.400 -0.107 0.000 2.084 323 D HA 0.017 4.657 4.640 0.000 0.000 0.196 323 D C 0.288 176.525 176.300 -0.105 0.000 0.985 323 D CA 1.565 55.506 54.000 -0.099 0.000 0.826 323 D CB 0.455 41.194 40.800 -0.103 0.000 0.978 323 D HN 0.183 nan 8.370 nan 0.000 0.456 324 L N 0.386 121.523 121.223 -0.142 0.000 2.406 324 L HA 0.521 4.861 4.340 0.000 0.000 0.272 324 L C -1.572 175.199 176.870 -0.164 0.000 0.980 324 L CA -0.497 54.258 54.840 -0.142 0.000 0.831 324 L CB 1.839 43.800 42.059 -0.163 0.000 1.253 324 L HN -0.171 nan 8.230 nan 0.000 0.406 325 A N 6.519 129.265 122.820 -0.124 0.000 2.331 325 A HA 0.842 5.162 4.320 0.000 0.000 0.320 325 A C -0.980 176.534 177.584 -0.117 0.000 1.138 325 A CA -0.487 51.474 52.037 -0.126 0.000 0.790 325 A CB 1.124 20.067 19.000 -0.096 0.000 1.206 325 A HN 0.663 nan 8.150 nan 0.000 0.470 326 I N 2.364 122.844 120.570 -0.150 0.000 2.582 326 I HA 0.338 4.508 4.170 0.000 0.000 0.292 326 I C -0.513 175.478 176.117 -0.210 0.000 1.066 326 I CA -0.728 60.484 61.300 -0.146 0.000 1.053 326 I CB 2.248 40.145 38.000 -0.171 0.000 1.241 326 I HN 0.713 nan 8.210 nan 0.000 0.421 327 N N 6.963 125.557 118.700 -0.177 0.000 2.400 327 N HA 0.401 5.141 4.740 0.000 0.000 0.288 327 N C -1.285 174.078 175.510 -0.244 0.000 1.024 327 N CA -0.556 52.351 53.050 -0.239 0.000 0.894 327 N CB 1.543 39.936 38.487 -0.156 0.000 1.173 327 N HN 0.449 nan 8.380 nan 0.000 0.487 328 M N 2.837 122.193 119.600 -0.407 0.000 2.080 328 M HA 0.288 4.768 4.480 0.000 0.000 0.350 328 M C -0.257 175.839 176.300 -0.339 0.000 1.143 328 M CA -0.744 54.364 55.300 -0.320 0.000 1.064 328 M CB 0.316 32.653 32.600 -0.440 0.000 1.429 328 M HN 0.465 nan 8.290 nan 0.000 0.418 329 A N 4.496 127.267 122.820 -0.082 0.000 2.366 329 A HA 0.614 4.934 4.320 0.000 0.000 0.322 329 A C -0.332 177.414 177.584 0.270 0.000 1.397 329 A CA -0.480 51.547 52.037 -0.016 0.000 0.984 329 A CB -0.046 18.970 19.000 0.026 0.000 1.149 329 A HN 0.553 nan 8.150 nan 0.000 0.540 330 F N 1.683 121.759 119.950 0.211 0.000 2.602 330 F HA 0.163 4.690 4.527 0.000 0.000 0.367 330 F C 1.006 176.982 175.800 0.293 0.000 1.126 330 F CA 0.407 58.615 58.000 0.346 0.000 1.321 330 F CB 0.106 39.310 39.000 0.341 0.000 1.094 330 F HN 0.740 nan 8.300 nan 0.000 0.594 331 N N 0.769 119.781 118.700 0.519 0.000 2.823 331 N HA 0.538 5.278 4.740 0.000 0.000 0.251 331 N C -2.234 173.494 175.510 0.363 0.000 1.392 331 N CA -0.600 52.648 53.050 0.331 0.000 0.864 331 N CB 1.828 40.429 38.487 0.190 0.000 1.481 331 N HN 0.312 nan 8.380 nan 0.000 0.508 332 F N 1.930 121.858 119.950 -0.037 0.000 2.615 332 F HA 0.376 4.903 4.527 0.000 0.000 0.312 332 F C -1.055 174.642 175.800 -0.171 0.000 1.119 332 F CA -0.694 57.196 58.000 -0.184 0.000 0.979 332 F CB 1.384 40.113 39.000 -0.452 0.000 1.266 332 F HN 0.589 nan 8.300 nan 0.000 0.444 333 N N 2.433 120.713 118.700 -0.699 0.000 2.299 333 N HA 0.525 5.265 4.740 0.000 0.000 0.246 333 N C 0.451 175.552 175.510 -0.681 0.000 1.254 333 N CA 0.241 52.974 53.050 -0.528 0.000 0.879 333 N CB 1.284 39.567 38.487 -0.340 0.000 1.214 333 N HN 0.978 nan 8.380 nan 0.000 0.510 334 G N 0.321 108.235 108.800 -1.476 0.000 2.793 334 G HA2 -0.270 3.690 3.960 0.000 0.000 0.197 334 G HA3 -0.270 3.690 3.960 0.000 0.000 0.197 334 G C 0.883 175.425 174.900 -0.597 0.000 2.112 334 G CA 0.343 44.914 45.100 -0.881 0.000 1.556 334 G HN 0.635 nan 8.290 nan 0.000 0.534 335 T N -1.101 113.237 114.554 -0.360 0.000 3.023 335 T HA 0.408 4.758 4.350 0.000 0.000 0.253 335 T C 0.486 175.250 174.700 0.106 0.000 1.038 335 T CA 0.869 62.974 62.100 0.007 0.000 0.962 335 T CB 0.228 69.073 68.868 -0.039 0.000 1.018 335 T HN 0.457 nan 8.240 nan 0.000 0.521 336 N N 0.216 118.839 118.700 -0.128 0.000 2.277 336 N HA 0.473 5.213 4.740 0.000 0.000 0.286 336 N C -1.905 173.620 175.510 0.025 0.000 1.140 336 N CA -0.497 52.573 53.050 0.033 0.000 0.799 336 N CB 1.934 40.422 38.487 0.002 0.000 1.596 336 N HN 0.064 nan 8.380 nan 0.000 0.473 337 F N 0.837 120.924 119.950 0.228 0.000 2.399 337 F HA 0.576 5.103 4.527 0.000 0.000 0.328 337 F C -0.051 175.793 175.800 0.073 0.000 1.084 337 F CA -0.193 57.921 58.000 0.191 0.000 1.053 337 F CB 0.887 39.801 39.000 -0.144 0.000 1.209 337 F HN 0.310 nan 8.300 nan 0.000 0.502 338 F N 2.099 122.306 119.950 0.428 0.000 2.588 338 F HA 0.627 5.155 4.527 0.000 0.000 0.310 338 F C -0.660 175.465 175.800 0.542 0.000 1.082 338 F CA -0.856 57.391 58.000 0.412 0.000 0.929 338 F CB 1.929 41.086 39.000 0.261 0.000 1.254 338 F HN 0.045 nan 8.300 nan 0.000 0.455 339 I N 2.246 123.195 120.570 0.632 0.000 2.497 339 I HA 0.243 4.413 4.170 0.000 0.000 0.284 339 I C -0.638 175.750 176.117 0.451 0.000 1.060 339 I CA -0.623 61.017 61.300 0.565 0.000 1.071 339 I CB 1.550 39.833 38.000 0.471 0.000 1.216 339 I HN 0.749 nan 8.210 nan 0.000 0.442 340 N N 4.592 123.522 118.700 0.383 0.000 2.738 340 N HA -0.197 4.543 4.740 0.000 0.000 0.249 340 N C 0.934 176.623 175.510 0.298 0.000 1.047 340 N CA 0.529 53.758 53.050 0.299 0.000 0.707 340 N CB -0.514 38.168 38.487 0.325 0.000 0.937 340 N HN 1.173 nan 8.380 nan 0.000 0.545 341 G N -1.660 107.341 108.800 0.334 0.000 2.155 341 G HA2 -0.173 3.787 3.960 0.000 0.000 0.257 341 G HA3 -0.173 3.787 3.960 0.000 0.000 0.257 341 G C 0.065 175.258 174.900 0.489 0.000 0.983 341 G CA 0.630 45.929 45.100 0.332 0.000 0.676 341 G HN 0.987 nan 8.290 nan 0.000 0.528 342 A N -0.803 122.316 122.820 0.499 0.000 2.386 342 A HA 0.869 5.189 4.320 0.000 0.000 0.311 342 A C 0.011 177.678 177.584 0.138 0.000 1.068 342 A CA 0.487 52.728 52.037 0.340 0.000 0.743 342 A CB 1.912 21.066 19.000 0.258 0.000 1.258 342 A HN 1.424 nan 8.150 nan 0.000 0.429 343 S N 1.858 117.438 115.700 -0.200 0.000 2.566 343 S HA 0.530 5.000 4.470 0.000 0.000 0.324 343 S C -0.545 174.034 174.600 -0.035 0.000 1.081 343 S CA -0.469 57.488 58.200 -0.406 0.000 1.105 343 S CB -0.239 62.313 63.200 -1.080 0.000 0.981 343 S HN 0.729 nan 8.310 nan 0.000 0.464 344 F N 4.700 124.662 119.950 0.020 0.000 2.629 344 F HA 0.372 4.899 4.527 0.000 0.000 0.369 344 F C 0.674 176.510 175.800 0.059 0.000 1.125 344 F CA 0.994 59.048 58.000 0.091 0.000 1.330 344 F CB 0.723 39.832 39.000 0.181 0.000 1.071 344 F HN 0.477 nan 8.300 nan 0.000 0.595 345 T N 7.295 121.292 114.554 -0.929 0.000 3.293 345 T HA 0.374 4.724 4.350 0.000 0.000 0.320 345 T C -2.913 171.201 174.700 -0.975 0.000 0.995 345 T CA -1.650 60.044 62.100 -0.678 0.000 1.041 345 T CB 0.931 69.601 68.868 -0.330 0.000 1.058 345 T HN 0.336 nan 8.240 nan 0.000 0.453 346 P HA 0.125 nan 4.420 nan 0.000 0.259 346 P C -2.391 174.654 177.300 -0.426 0.000 1.163 346 P CA -0.553 62.269 63.100 -0.463 0.000 0.760 346 P CB -0.043 31.460 31.700 -0.329 0.000 0.762 347 P HA 0.071 nan 4.420 nan 0.000 0.279 347 P C 0.660 177.851 177.300 -0.182 0.000 1.252 347 P CA -0.266 62.732 63.100 -0.170 0.000 0.811 347 P CB 0.779 32.450 31.700 -0.048 0.000 1.035 348 T N -1.702 112.775 114.554 -0.129 0.000 2.857 348 T HA 0.007 4.357 4.350 0.000 0.000 0.266 348 T C 1.004 175.747 174.700 0.071 0.000 1.048 348 T CA 0.664 62.721 62.100 -0.071 0.000 1.139 348 T CB -0.529 68.312 68.868 -0.046 0.000 0.874 348 T HN 0.185 nan 8.240 nan 0.000 0.455 349 V N 4.983 124.927 119.914 0.051 0.000 2.383 349 V HA 0.331 4.451 4.120 0.000 0.000 0.275 349 V C -2.227 173.918 176.094 0.085 0.000 1.036 349 V CA -2.529 59.807 62.300 0.060 0.000 0.889 349 V CB 1.099 32.941 31.823 0.032 0.000 0.985 349 V HN 0.258 nan 8.190 nan 0.000 0.459 350 P HA 0.034 nan 4.420 nan 0.000 0.266 350 P C 1.155 178.501 177.300 0.077 0.000 1.195 350 P CA 0.201 63.346 63.100 0.074 0.000 0.768 350 P CB 1.031 32.721 31.700 -0.018 0.000 0.838 351 V N 3.824 123.773 119.914 0.059 0.000 2.380 351 V HA -0.251 3.869 4.120 0.000 0.000 0.251 351 V C 2.472 178.599 176.094 0.055 0.000 1.063 351 V CA 1.648 63.977 62.300 0.047 0.000 1.055 351 V CB -1.137 30.694 31.823 0.013 0.000 0.657 351 V HN 0.565 nan 8.190 nan 0.000 0.455 352 L N -0.807 120.465 121.223 0.081 0.000 2.046 352 L HA -0.158 4.182 4.340 0.000 0.000 0.208 352 L C 2.405 179.398 176.870 0.205 0.000 1.077 352 L CA 1.778 56.684 54.840 0.110 0.000 0.747 352 L CB -0.209 41.958 42.059 0.180 0.000 0.896 352 L HN 0.364 nan 8.230 nan 0.000 0.432 353 L N -0.034 121.374 121.223 0.307 0.000 2.093 353 L HA -0.229 4.111 4.340 0.000 0.000 0.208 353 L C 2.516 179.471 176.870 0.142 0.000 1.085 353 L CA 1.623 56.635 54.840 0.288 0.000 0.755 353 L CB -0.531 41.617 42.059 0.149 0.000 0.904 353 L HN 0.294 nan 8.230 nan 0.000 0.435 354 Q N -0.632 119.228 119.800 0.099 0.000 2.061 354 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 354 Q C 2.246 178.283 176.000 0.062 0.000 0.984 354 Q CA 2.231 58.074 55.803 0.067 0.000 0.846 354 Q CB -0.242 28.530 28.738 0.056 0.000 0.902 354 Q HN 0.565 nan 8.270 nan 0.000 0.421 355 I N 0.281 120.888 120.570 0.062 0.000 2.252 355 I HA -0.251 3.919 4.170 0.000 0.000 0.245 355 I C 2.115 178.260 176.117 0.047 0.000 1.102 355 I CA 0.968 62.296 61.300 0.047 0.000 1.385 355 I CB -0.217 37.802 38.000 0.032 0.000 1.064 355 I HN 0.199 nan 8.210 nan 0.000 0.414 356 I N 0.133 120.741 120.570 0.063 0.000 2.394 356 I HA -0.210 3.960 4.170 0.000 0.000 0.251 356 I C 2.111 178.264 176.117 0.060 0.000 1.136 356 I CA 1.109 62.444 61.300 0.059 0.000 1.425 356 I CB -0.280 37.774 38.000 0.089 0.000 1.079 356 I HN 0.113 nan 8.210 nan 0.000 0.425 357 S N 0.056 115.796 115.700 0.067 0.000 2.603 357 S HA 0.172 4.642 4.470 0.000 0.000 0.220 357 S C 1.441 176.064 174.600 0.038 0.000 0.967 357 S CA 0.809 59.041 58.200 0.052 0.000 0.920 357 S CB 0.457 63.688 63.200 0.052 0.000 0.773 357 S HN 0.726 nan 8.310 nan 0.000 0.529 358 G N 0.714 109.536 108.800 0.037 0.000 2.367 358 G HA2 -0.036 3.924 3.960 0.000 0.000 0.181 358 G HA3 -0.036 3.924 3.960 0.000 0.000 0.181 358 G C 0.183 175.101 174.900 0.030 0.000 1.000 358 G CA -0.381 44.737 45.100 0.030 0.000 0.693 358 G HN 0.703 nan 8.290 nan 0.000 0.480 359 A N 0.634 123.475 122.820 0.035 0.000 2.573 359 A HA 0.449 4.769 4.320 0.000 0.000 0.250 359 A C 1.121 178.726 177.584 0.034 0.000 1.049 359 A CA 1.748 53.806 52.037 0.035 0.000 0.767 359 A CB 0.363 19.387 19.000 0.040 0.000 0.965 359 A HN 0.680 nan 8.150 nan 0.000 0.514 360 Q N 1.860 121.679 119.800 0.031 0.000 2.378 360 Q HA 0.029 4.369 4.340 0.000 0.000 0.216 360 Q C 0.325 176.346 176.000 0.034 0.000 0.892 360 Q CA 0.770 56.591 55.803 0.031 0.000 0.931 360 Q CB 0.121 28.874 28.738 0.025 0.000 1.086 360 Q HN 1.003 nan 8.270 nan 0.000 0.528 361 N N -2.510 116.212 118.700 0.036 0.000 3.308 361 N HA 0.140 4.880 4.740 0.000 0.000 0.276 361 N C 0.119 175.654 175.510 0.043 0.000 1.533 361 N CA 0.164 53.238 53.050 0.040 0.000 0.878 361 N CB 0.244 38.751 38.487 0.032 0.000 1.566 361 N HN -0.066 nan 8.380 nan 0.000 0.546 362 A N -0.235 122.611 122.820 0.043 0.000 1.902 362 A HA -0.133 4.187 4.320 0.000 0.000 0.217 362 A C 2.446 180.041 177.584 0.019 0.000 1.181 362 A CA 3.422 55.481 52.037 0.036 0.000 0.623 362 A CB -1.600 17.410 19.000 0.018 0.000 0.818 362 A HN 0.922 nan 8.150 nan 0.000 0.443 363 Q N -0.143 119.666 119.800 0.014 0.000 2.135 363 Q HA -0.265 4.075 4.340 0.000 0.000 0.204 363 Q C 1.723 177.732 176.000 0.016 0.000 0.981 363 Q CA 2.049 57.858 55.803 0.010 0.000 0.856 363 Q CB -0.875 27.869 28.738 0.010 0.000 0.902 363 Q HN 0.791 nan 8.270 nan 0.000 0.425 364 D N -0.184 120.229 120.400 0.022 0.000 2.110 364 D HA 0.060 4.700 4.640 0.000 0.000 0.202 364 D C 0.782 177.099 176.300 0.029 0.000 0.975 364 D CA 0.164 54.178 54.000 0.024 0.000 0.839 364 D CB -0.369 40.447 40.800 0.025 0.000 0.996 364 D HN 0.514 nan 8.370 nan 0.000 0.464 365 L N 1.607 122.854 121.223 0.039 0.000 2.593 365 L HA -0.036 4.304 4.340 0.000 0.000 0.287 365 L C 0.412 177.312 176.870 0.050 0.000 1.243 365 L CA 0.247 55.117 54.840 0.050 0.000 0.890 365 L CB 0.170 42.269 42.059 0.068 0.000 1.134 365 L HN -0.084 nan 8.230 nan 0.000 0.502 366 L N 5.175 126.427 121.223 0.049 0.000 2.330 366 L HA 0.560 4.900 4.340 0.000 0.000 0.271 366 L C -2.075 174.834 176.870 0.066 0.000 1.013 366 L CA -2.038 52.825 54.840 0.038 0.000 0.816 366 L CB 1.945 44.009 42.059 0.007 0.000 1.287 366 L HN 0.417 nan 8.230 nan 0.000 0.435 367 P HA 0.042 nan 4.420 nan 0.000 0.275 367 P C -0.532 176.801 177.300 0.055 0.000 1.228 367 P CA -0.302 62.803 63.100 0.008 0.000 0.786 367 P CB 1.421 33.071 31.700 -0.084 0.000 0.927 368 S N 0.918 116.635 115.700 0.028 0.000 2.562 368 S HA 0.385 4.856 4.470 0.000 0.000 0.281 368 S C 1.506 176.133 174.600 0.044 0.000 1.333 368 S CA 1.083 59.301 58.200 0.029 0.000 1.052 368 S CB -1.086 62.125 63.200 0.018 0.000 0.884 368 S HN 0.873 nan 8.310 nan 0.000 0.506 369 G N 3.158 111.969 108.800 0.019 0.000 2.199 369 G HA2 -0.234 3.726 3.960 0.000 0.000 0.254 369 G HA3 -0.234 3.726 3.960 0.000 0.000 0.254 369 G C 0.692 175.628 174.900 0.059 0.000 0.982 369 G CA 0.548 45.661 45.100 0.022 0.000 0.632 369 G HN 0.807 nan 8.290 nan 0.000 0.529 370 S N -0.749 115.026 115.700 0.125 0.000 2.559 370 S HA 0.491 4.961 4.470 0.000 0.000 0.226 370 S C 0.364 175.140 174.600 0.293 0.000 1.000 370 S CA 0.494 58.866 58.200 0.286 0.000 0.948 370 S CB 1.281 64.759 63.200 0.462 0.000 0.870 370 S HN 0.562 nan 8.310 nan 0.000 0.497 371 V N 2.234 122.209 119.914 0.102 0.000 2.495 371 V HA 0.534 4.654 4.120 0.000 0.000 0.298 371 V C -1.312 174.786 176.094 0.007 0.000 1.031 371 V CA -0.745 61.662 62.300 0.177 0.000 0.871 371 V CB 1.050 32.963 31.823 0.150 0.000 0.988 371 V HN 0.270 nan 8.190 nan 0.000 0.432 372 Y N 0.997 121.480 120.300 0.304 0.000 2.409 372 Y HA 0.552 5.102 4.550 0.000 0.000 0.343 372 Y C 0.606 176.628 175.900 0.203 0.000 0.973 372 Y CA -0.684 57.575 58.100 0.265 0.000 1.064 372 Y CB 2.199 40.877 38.460 0.363 0.000 1.207 372 Y HN 0.551 nan 8.280 nan 0.000 0.452 373 S N 3.258 119.100 115.700 0.236 0.000 2.537 373 S HA 0.568 5.038 4.470 0.000 0.000 0.275 373 S C -1.030 173.629 174.600 0.099 0.000 1.272 373 S CA -0.428 57.863 58.200 0.151 0.000 1.050 373 S CB 0.439 63.695 63.200 0.093 0.000 0.961 373 S HN 0.329 nan 8.310 nan 0.000 0.496 374 L N 5.436 126.706 121.223 0.078 0.000 2.376 374 L HA 0.490 4.830 4.340 0.000 0.000 0.275 374 L C -2.241 174.644 176.870 0.026 0.000 0.987 374 L CA -2.055 52.787 54.840 0.002 0.000 0.828 374 L CB 1.722 43.767 42.059 -0.024 0.000 1.249 374 L HN 0.378 nan 8.230 nan 0.000 0.409 375 P HA 0.190 nan 4.420 nan 0.000 0.275 375 P C -0.404 176.900 177.300 0.007 0.000 1.228 375 P CA -0.352 62.750 63.100 0.003 0.000 0.786 375 P CB 1.014 32.703 31.700 -0.018 0.000 0.927 376 S N 1.475 117.194 115.700 0.031 0.000 2.600 376 S HA 0.058 4.528 4.470 0.000 0.000 0.265 376 S C 0.629 175.237 174.600 0.014 0.000 1.325 376 S CA -0.319 57.908 58.200 0.044 0.000 1.002 376 S CB -0.527 62.711 63.200 0.062 0.000 0.921 376 S HN 0.646 nan 8.310 nan 0.000 0.554 377 N N -0.187 118.524 118.700 0.019 0.000 2.669 377 N HA -0.179 4.561 4.740 0.000 0.000 0.266 377 N C -0.595 174.897 175.510 -0.030 0.000 1.024 377 N CA 0.956 54.006 53.050 0.000 0.000 0.766 377 N CB -1.471 37.022 38.487 0.010 0.000 0.898 377 N HN 1.156 nan 8.380 nan 0.000 0.548 378 A N 0.803 123.584 122.820 -0.066 0.000 2.556 378 A HA 0.600 4.920 4.320 0.000 0.000 0.294 378 A C -1.267 176.218 177.584 -0.165 0.000 1.091 378 A CA -0.797 51.179 52.037 -0.101 0.000 0.704 378 A CB 1.185 20.121 19.000 -0.107 0.000 1.300 378 A HN 0.325 nan 8.150 nan 0.000 0.406 379 D N 1.094 121.396 120.400 -0.164 0.000 2.198 379 D HA 0.553 5.193 4.640 0.000 0.000 0.245 379 D C -0.529 175.589 176.300 -0.304 0.000 1.079 379 D CA 0.436 54.314 54.000 -0.205 0.000 0.854 379 D CB 1.439 42.168 40.800 -0.118 0.000 1.148 379 D HN 0.419 nan 8.370 nan 0.000 0.456 380 I N 0.966 121.242 120.570 -0.490 0.000 2.509 380 I HA 0.274 4.444 4.170 0.000 0.000 0.293 380 I C 0.051 175.923 176.117 -0.409 0.000 1.020 380 I CA -0.759 60.183 61.300 -0.596 0.000 1.088 380 I CB 2.325 39.623 38.000 -1.170 0.000 1.267 380 I HN 0.205 nan 8.210 nan 0.000 0.430 381 E N 6.867 126.915 120.200 -0.254 0.000 2.224 381 E HA 0.625 4.975 4.350 0.000 0.000 0.265 381 E C -1.691 174.826 176.600 -0.138 0.000 0.878 381 E CA -0.526 55.798 56.400 -0.126 0.000 0.759 381 E CB 1.908 31.569 29.700 -0.066 0.000 1.164 381 E HN 0.508 nan 8.360 nan 0.000 0.414 382 I N 2.918 123.416 120.570 -0.120 0.000 2.569 382 I HA 0.343 4.513 4.170 0.000 0.000 0.296 382 I C -0.562 175.310 176.117 -0.409 0.000 1.028 382 I CA -0.827 60.305 61.300 -0.279 0.000 1.082 382 I CB 2.195 40.044 38.000 -0.252 0.000 1.264 382 I HN 0.490 nan 8.210 nan 0.000 0.429 383 S N 4.152 119.511 115.700 -0.568 0.000 2.500 383 S HA 0.650 5.120 4.470 0.000 0.000 0.301 383 S C -0.868 173.259 174.600 -0.788 0.000 1.092 383 S CA -0.644 57.270 58.200 -0.477 0.000 1.030 383 S CB 1.074 64.138 63.200 -0.226 0.000 1.031 383 S HN 0.388 nan 8.310 nan 0.000 0.483 384 F N 1.512 121.257 119.950 -0.343 0.000 2.389 384 F HA 0.402 4.929 4.527 0.000 0.000 0.327 384 F C -2.618 172.885 175.800 -0.496 0.000 1.204 384 F CA -2.259 55.389 58.000 -0.586 0.000 1.209 384 F CB 0.668 39.387 39.000 -0.468 0.000 1.460 384 F HN 0.298 nan 8.300 nan 0.000 0.537 385 P HA -0.021 nan 4.420 nan 0.000 0.258 385 P C 0.095 177.328 177.300 -0.113 0.000 1.187 385 P CA 0.313 63.304 63.100 -0.182 0.000 0.767 385 P CB 0.464 32.072 31.700 -0.152 0.000 0.770 386 A N 4.078 126.929 122.820 0.051 0.000 2.540 386 A HA 0.327 4.648 4.320 0.000 0.000 0.239 386 A C 0.353 178.039 177.584 0.171 0.000 1.061 386 A CA 0.920 53.073 52.037 0.193 0.000 0.758 386 A CB -0.248 18.851 19.000 0.165 0.000 0.991 386 A HN 0.465 nan 8.150 nan 0.000 0.502 387 T N 2.052 116.761 114.554 0.258 0.000 3.143 387 T HA 0.440 4.790 4.350 0.000 0.000 0.312 387 T C 0.880 175.699 174.700 0.199 0.000 0.986 387 T CA 0.205 62.423 62.100 0.197 0.000 1.024 387 T CB 1.521 70.514 68.868 0.209 0.000 1.030 387 T HN 1.136 nan 8.240 nan 0.000 0.448 388 A N 2.212 125.112 122.820 0.132 0.000 2.272 388 A HA 0.152 4.472 4.320 0.000 0.000 0.213 388 A C 2.269 179.917 177.584 0.106 0.000 1.183 388 A CA 1.526 53.627 52.037 0.106 0.000 0.719 388 A CB -0.549 18.490 19.000 0.065 0.000 0.771 388 A HN 0.963 nan 8.150 nan 0.000 0.484 389 A N -0.817 122.084 122.820 0.135 0.000 2.121 389 A HA 0.380 4.701 4.320 0.000 0.000 0.218 389 A C 1.332 179.008 177.584 0.153 0.000 1.154 389 A CA 1.162 53.279 52.037 0.133 0.000 0.679 389 A CB -0.394 18.690 19.000 0.140 0.000 0.795 389 A HN 1.210 nan 8.150 nan 0.000 0.458 390 A N 0.719 123.640 122.820 0.168 0.000 2.508 390 A HA 0.626 4.946 4.320 0.000 0.000 0.336 390 A C -2.859 174.786 177.584 0.102 0.000 1.360 390 A CA -1.591 50.510 52.037 0.107 0.000 0.841 390 A CB 0.253 19.318 19.000 0.109 0.000 1.136 390 A HN 0.150 nan 8.150 nan 0.000 0.489 391 P HA 0.407 nan 4.420 nan 0.000 0.272 391 P C 1.089 178.294 177.300 -0.157 0.000 1.223 391 P CA 1.408 64.367 63.100 -0.234 0.000 0.784 391 P CB 0.915 32.332 31.700 -0.470 0.000 0.923 392 G N -0.012 108.693 108.800 -0.158 0.000 2.184 392 G HA2 -0.061 3.900 3.960 0.000 0.000 0.206 392 G HA3 -0.061 3.900 3.960 0.000 0.000 0.206 392 G C 0.405 175.097 174.900 -0.345 0.000 0.995 392 G CA -0.100 44.935 45.100 -0.107 0.000 0.651 392 G HN 0.798 nan 8.290 nan 0.000 0.511 393 A N 1.145 123.688 122.820 -0.462 0.000 2.507 393 A HA 0.546 4.867 4.320 0.000 0.000 0.235 393 A C -0.988 176.503 177.584 -0.156 0.000 1.070 393 A CA 0.264 52.023 52.037 -0.463 0.000 0.768 393 A CB -0.033 18.892 19.000 -0.125 0.000 1.011 393 A HN 0.403 nan 8.150 nan 0.000 0.502 394 P HA 0.223 nan 4.420 nan 0.000 0.286 394 P C -1.027 176.214 177.300 -0.099 0.000 1.269 394 P CA -0.113 62.950 63.100 -0.061 0.000 0.787 394 P CB 0.574 32.308 31.700 0.057 0.000 0.920 395 H N 4.020 123.186 119.070 0.159 0.000 2.782 395 H HA 0.234 4.790 4.556 0.000 0.000 0.285 395 H C -2.085 173.301 175.328 0.096 0.000 1.093 395 H CA -1.963 54.195 56.048 0.182 0.000 1.410 395 H CB 0.221 30.192 29.762 0.348 0.000 1.439 395 H HN 0.241 nan 8.280 nan 0.000 0.469 396 P HA 0.107 nan 4.420 nan 0.000 0.284 396 P C -0.465 176.815 177.300 -0.035 0.000 1.343 396 P CA -0.165 62.930 63.100 -0.008 0.000 0.826 396 P CB -0.149 31.584 31.700 0.055 0.000 0.956 397 F N 2.879 122.693 119.950 -0.227 0.000 2.385 397 F HA 0.381 4.908 4.527 0.000 0.000 0.336 397 F C 1.091 176.818 175.800 -0.122 0.000 1.100 397 F CA 0.223 58.032 58.000 -0.319 0.000 1.116 397 F CB 0.830 39.383 39.000 -0.746 0.000 1.166 397 F HN 0.354 nan 8.300 nan 0.000 0.511 398 H N 3.760 122.682 119.070 -0.247 0.000 2.572 398 H HA 0.550 5.106 4.556 0.000 0.000 0.359 398 H C -1.736 173.509 175.328 -0.139 0.000 1.134 398 H CA -0.846 55.131 56.048 -0.118 0.000 1.187 398 H CB 1.366 31.052 29.762 -0.127 0.000 1.597 398 H HN 0.613 nan 8.280 nan 0.000 0.524 399 L N 5.697 126.664 121.223 -0.427 0.000 2.341 399 L HA 0.374 4.714 4.340 0.000 0.000 0.278 399 L C -0.457 176.070 176.870 -0.573 0.000 1.005 399 L CA -0.693 53.934 54.840 -0.355 0.000 0.818 399 L CB 0.925 42.941 42.059 -0.072 0.000 1.259 399 L HN 0.767 nan 8.230 nan 0.000 0.418 400 H N 2.744 121.574 119.070 -0.401 0.000 2.505 400 H HA 0.180 4.736 4.556 0.000 0.000 0.355 400 H C 0.929 176.019 175.328 -0.396 0.000 1.179 400 H CA 0.700 56.618 56.048 -0.218 0.000 1.343 400 H CB 1.691 31.523 29.762 0.115 0.000 1.501 400 H HN 0.925 nan 8.280 nan 0.000 0.569 401 G N 1.339 109.830 108.800 -0.514 0.000 2.228 401 G HA2 -0.239 3.721 3.960 0.000 0.000 0.270 401 G HA3 -0.239 3.721 3.960 0.000 0.000 0.270 401 G C 0.152 174.321 174.900 -1.220 0.000 0.976 401 G CA 0.617 44.856 45.100 -1.434 0.000 0.636 401 G HN 0.780 nan 8.290 nan 0.000 0.542 402 H N -0.866 117.987 119.070 -0.361 0.000 3.008 402 H HA 0.687 5.243 4.556 0.000 0.000 0.354 402 H C -0.103 175.220 175.328 -0.009 0.000 1.252 402 H CA -0.124 55.697 56.048 -0.377 0.000 1.117 402 H CB 1.514 31.049 29.762 -0.378 0.000 1.857 402 H HN 0.683 nan 8.280 nan 0.000 0.547 403 A N 1.565 124.491 122.820 0.177 0.000 2.330 403 A HA 0.637 4.957 4.320 0.000 0.000 0.327 403 A C -0.897 176.850 177.584 0.272 0.000 1.155 403 A CA -0.589 51.572 52.037 0.207 0.000 0.803 403 A CB 0.187 19.387 19.000 0.332 0.000 1.208 403 A HN 0.443 nan 8.150 nan 0.000 0.477 404 F N 0.406 120.485 119.950 0.215 0.000 2.575 404 F HA 0.855 5.382 4.527 0.000 0.000 0.330 404 F C 0.215 175.888 175.800 -0.212 0.000 1.056 404 F CA -1.424 56.652 58.000 0.126 0.000 0.964 404 F CB 1.321 40.373 39.000 0.088 0.000 1.258 404 F HN 0.632 nan 8.300 nan 0.000 0.484 405 A N 1.226 123.865 122.820 -0.302 0.000 2.301 405 A HA 0.622 4.942 4.320 0.000 0.000 0.298 405 A C -0.788 176.720 177.584 -0.128 0.000 1.185 405 A CA -0.710 50.812 52.037 -0.858 0.000 0.830 405 A CB 0.583 18.937 19.000 -1.076 0.000 1.112 405 A HN 0.737 nan 8.150 nan 0.000 0.508 406 V N 5.302 125.162 119.914 -0.090 0.000 2.267 406 V HA 0.077 4.197 4.120 0.000 0.000 0.254 406 V C 1.509 177.556 176.094 -0.078 0.000 1.144 406 V CA 0.308 62.622 62.300 0.024 0.000 0.992 406 V CB 0.094 31.951 31.823 0.057 0.000 1.199 406 V HN 0.911 nan 8.190 nan 0.000 0.493 407 V N 1.818 121.678 119.914 -0.089 0.000 2.626 407 V HA 0.063 4.183 4.120 0.000 0.000 0.252 407 V C 1.038 176.967 176.094 -0.276 0.000 1.067 407 V CA 1.111 63.309 62.300 -0.170 0.000 1.081 407 V CB -0.435 31.314 31.823 -0.123 0.000 0.686 407 V HN 0.708 nan 8.190 nan 0.000 0.468 408 R N 0.178 120.515 120.500 -0.272 0.000 2.502 408 R HA 0.538 4.878 4.340 0.000 0.000 0.298 408 R C -0.896 175.273 176.300 -0.218 0.000 1.018 408 R CA -0.157 55.702 56.100 -0.402 0.000 0.899 408 R CB 1.985 31.824 30.300 -0.769 0.000 1.181 408 R HN 0.424 nan 8.270 nan 0.000 0.444 409 S N 1.741 117.340 115.700 -0.168 0.000 2.646 409 S HA 0.522 4.992 4.470 0.000 0.000 0.276 409 S C -0.183 174.367 174.600 -0.084 0.000 1.222 409 S CA -0.579 57.564 58.200 -0.095 0.000 1.014 409 S CB 1.636 64.799 63.200 -0.062 0.000 0.991 409 S HN 0.736 nan 8.310 nan 0.000 0.533 410 A N 0.647 123.432 122.820 -0.058 0.000 2.498 410 A HA 0.496 4.816 4.320 0.000 0.000 0.239 410 A C 1.385 178.960 177.584 -0.015 0.000 1.068 410 A CA 0.279 52.293 52.037 -0.038 0.000 0.766 410 A CB -1.071 17.899 19.000 -0.050 0.000 1.003 410 A HN 1.860 nan 8.150 nan 0.000 0.497 411 G N 0.118 108.915 108.800 -0.005 0.000 2.160 411 G HA2 -0.022 3.938 3.960 0.000 0.000 0.251 411 G HA3 -0.022 3.938 3.960 0.000 0.000 0.251 411 G C 0.232 175.126 174.900 -0.010 0.000 1.008 411 G CA 0.882 45.985 45.100 0.005 0.000 0.724 411 G HN 2.006 nan 8.290 nan 0.000 0.514 412 S N -1.640 114.039 115.700 -0.035 0.000 2.541 412 S HA 0.717 5.187 4.470 0.000 0.000 0.271 412 S C 0.806 175.360 174.600 -0.077 0.000 1.133 412 S CA 0.917 59.087 58.200 -0.050 0.000 0.876 412 S CB 1.533 64.693 63.200 -0.067 0.000 1.105 412 S HN 1.230 nan 8.310 nan 0.000 0.470 413 T N 0.333 114.857 114.554 -0.050 0.000 3.092 413 T HA 0.344 4.694 4.350 0.000 0.000 0.258 413 T C 0.284 174.966 174.700 -0.030 0.000 1.031 413 T CA -0.079 62.003 62.100 -0.030 0.000 0.925 413 T CB -0.116 68.773 68.868 0.034 0.000 1.036 413 T HN 0.338 nan 8.240 nan 0.000 0.544 414 V N 1.946 121.808 119.914 -0.087 0.000 2.649 414 V HA 0.358 4.478 4.120 0.000 0.000 0.292 414 V C -0.748 175.206 176.094 -0.234 0.000 1.055 414 V CA -0.695 61.571 62.300 -0.057 0.000 1.023 414 V CB 0.384 32.184 31.823 -0.038 0.000 0.992 414 V HN 0.437 nan 8.190 nan 0.000 0.480 415 Y N 3.037 123.254 120.300 -0.139 0.000 2.388 415 Y HA 0.372 4.922 4.550 0.000 0.000 0.328 415 Y C 0.408 176.034 175.900 -0.458 0.000 0.963 415 Y CA -0.703 57.195 58.100 -0.337 0.000 1.240 415 Y CB 1.030 39.279 38.460 -0.352 0.000 1.118 415 Y HN 0.569 nan 8.280 nan 0.000 0.484 416 N N 3.010 121.519 118.700 -0.318 0.000 2.462 416 N HA 0.085 4.825 4.740 0.000 0.000 0.242 416 N C -0.607 174.765 175.510 -0.231 0.000 1.010 416 N CA -0.145 52.793 53.050 -0.187 0.000 0.939 416 N CB 0.361 38.817 38.487 -0.052 0.000 1.127 416 N HN 0.513 nan 8.380 nan 0.000 0.509 417 Y N 1.134 121.494 120.300 0.101 0.000 2.457 417 Y HA 0.156 4.706 4.550 0.000 0.000 0.263 417 Y C 1.427 177.379 175.900 0.088 0.000 1.164 417 Y CA -0.206 57.946 58.100 0.086 0.000 1.274 417 Y CB 0.538 39.041 38.460 0.072 0.000 1.097 417 Y HN 0.533 nan 8.280 nan 0.000 0.523 418 D N -0.877 119.641 120.400 0.196 0.000 2.514 418 D HA 0.020 4.660 4.640 0.000 0.000 0.249 418 D C 1.093 177.485 176.300 0.154 0.000 1.036 418 D CA 0.768 54.864 54.000 0.160 0.000 0.911 418 D CB 0.154 41.029 40.800 0.124 0.000 1.145 418 D HN 0.125 nan 8.370 nan 0.000 0.495 419 N N -0.400 118.399 118.700 0.165 0.000 2.170 419 N HA 0.174 4.914 4.740 0.000 0.000 0.222 419 N C -2.551 173.179 175.510 0.365 0.000 1.218 419 N CA -0.828 52.368 53.050 0.242 0.000 0.889 419 N CB 1.125 39.700 38.487 0.147 0.000 1.083 419 N HN 0.178 nan 8.380 nan 0.000 0.520 420 P HA 0.053 nan 4.420 nan 0.000 0.268 420 P C -0.149 177.213 177.300 0.105 0.000 1.205 420 P CA -0.056 63.089 63.100 0.076 0.000 0.771 420 P CB 0.739 32.416 31.700 -0.039 0.000 0.858 421 I N 1.047 121.642 120.570 0.042 0.000 3.004 421 I HA 0.314 4.484 4.170 0.000 0.000 0.287 421 I C 0.504 176.661 176.117 0.066 0.000 1.144 421 I CA -0.412 60.961 61.300 0.122 0.000 1.353 421 I CB -0.781 37.250 38.000 0.052 0.000 1.417 421 I HN 0.173 nan 8.210 nan 0.000 0.602 422 F N 2.105 122.049 119.950 -0.011 0.000 2.492 422 F HA 0.806 5.333 4.527 0.000 0.000 0.327 422 F C 0.498 176.189 175.800 -0.183 0.000 1.079 422 F CA -0.488 57.475 58.000 -0.061 0.000 0.967 422 F CB 1.539 40.534 39.000 -0.007 0.000 1.169 422 F HN 0.651 nan 8.300 nan 0.000 0.472 423 R N 0.127 120.461 120.500 -0.276 0.000 2.764 423 R HA 0.366 4.706 4.340 0.000 0.000 0.276 423 R C -1.617 174.178 176.300 -0.843 0.000 1.021 423 R CA -0.712 55.144 56.100 -0.408 0.000 0.870 423 R CB 1.015 31.122 30.300 -0.323 0.000 1.293 423 R HN 0.540 nan 8.270 nan 0.000 0.469 424 D N -0.605 119.500 120.400 -0.491 0.000 2.474 424 D HA 0.201 4.841 4.640 0.000 0.000 0.213 424 D C -0.312 176.131 176.300 0.239 0.000 1.120 424 D CA -0.050 53.798 54.000 -0.253 0.000 0.836 424 D CB 0.956 41.827 40.800 0.119 0.000 1.019 424 D HN 0.152 nan 8.370 nan 0.000 0.507 425 V N 0.919 120.894 119.914 0.102 0.000 2.577 425 V HA 0.571 4.691 4.120 0.000 0.000 0.303 425 V C -1.006 175.204 176.094 0.193 0.000 1.042 425 V CA -1.063 61.379 62.300 0.237 0.000 0.872 425 V CB 2.183 34.044 31.823 0.063 0.000 0.998 425 V HN 0.054 nan 8.190 nan 0.000 0.423 426 V N 4.102 124.158 119.914 0.235 0.000 2.686 426 V HA 0.609 4.729 4.120 0.000 0.000 0.306 426 V C 0.106 176.104 176.094 -0.161 0.000 1.065 426 V CA -0.214 62.129 62.300 0.072 0.000 0.894 426 V CB 2.538 34.498 31.823 0.227 0.000 1.004 426 V HN 0.972 nan 8.190 nan 0.000 0.424 427 S N 3.602 119.064 115.700 -0.396 0.000 2.510 427 S HA 0.160 4.630 4.470 0.000 0.000 0.279 427 S C 1.076 175.513 174.600 -0.272 0.000 1.284 427 S CA 0.347 58.182 58.200 -0.607 0.000 1.059 427 S CB 0.777 63.190 63.200 -1.312 0.000 0.901 427 S HN 1.209 nan 8.310 nan 0.000 0.491 428 T N 2.604 117.084 114.554 -0.124 0.000 3.278 428 T HA 0.485 4.835 4.350 0.000 0.000 0.251 428 T C 1.242 175.974 174.700 0.052 0.000 1.039 428 T CA 0.089 62.185 62.100 -0.007 0.000 0.935 428 T CB -1.055 67.887 68.868 0.123 0.000 1.034 428 T HN 1.386 nan 8.240 nan 0.000 0.575 429 G N 1.626 110.414 108.800 -0.020 0.000 2.598 429 G HA2 -0.058 3.902 3.960 0.000 0.000 0.269 429 G HA3 -0.058 3.902 3.960 0.000 0.000 0.269 429 G C -0.055 174.888 174.900 0.073 0.000 1.289 429 G CA 0.266 45.378 45.100 0.021 0.000 0.926 429 G HN 1.614 nan 8.290 nan 0.000 0.567 430 T N -3.599 110.999 114.554 0.073 0.000 2.868 430 T HA 0.687 5.037 4.350 0.000 0.000 0.306 430 T C -2.162 172.585 174.700 0.079 0.000 1.224 430 T CA -0.546 61.605 62.100 0.084 0.000 1.012 430 T CB 2.403 71.305 68.868 0.058 0.000 1.221 430 T HN 0.329 nan 8.240 nan 0.000 0.499 431 P HA 0.059 nan 4.420 nan 0.000 0.223 431 P C 1.269 178.598 177.300 0.049 0.000 1.144 431 P CA 1.105 64.247 63.100 0.070 0.000 0.783 431 P CB -0.183 31.564 31.700 0.079 0.000 0.771 432 A N -0.856 121.989 122.820 0.041 0.000 2.178 432 A HA 0.294 4.614 4.320 0.000 0.000 0.211 432 A C 1.977 179.579 177.584 0.030 0.000 1.157 432 A CA 1.030 53.086 52.037 0.032 0.000 0.780 432 A CB -0.677 18.339 19.000 0.027 0.000 0.828 432 A HN 0.175 nan 8.150 nan 0.000 0.476 433 A N -1.493 121.347 122.820 0.033 0.000 2.267 433 A HA 0.443 4.763 4.320 0.000 0.000 0.213 433 A C 1.672 179.273 177.584 0.028 0.000 1.192 433 A CA 0.941 52.995 52.037 0.029 0.000 0.851 433 A CB -0.727 18.291 19.000 0.029 0.000 0.881 433 A HN 1.672 nan 8.150 nan 0.000 0.494 434 G N 0.541 109.361 108.800 0.034 0.000 2.258 434 G HA2 -0.251 3.709 3.960 0.000 0.000 0.274 434 G HA3 -0.251 3.709 3.960 0.000 0.000 0.274 434 G C -0.262 174.655 174.900 0.029 0.000 1.021 434 G CA 0.341 45.461 45.100 0.033 0.000 0.798 434 G HN 0.495 nan 8.290 nan 0.000 0.507 435 D N -0.341 120.077 120.400 0.030 0.000 2.443 435 D HA 0.210 4.850 4.640 0.000 0.000 0.234 435 D C 0.903 177.212 176.300 0.014 0.000 1.172 435 D CA 0.560 54.571 54.000 0.017 0.000 0.878 435 D CB 0.549 41.365 40.800 0.026 0.000 1.204 435 D HN 0.271 nan 8.370 nan 0.000 0.453 436 N N 0.959 119.654 118.700 -0.008 0.000 2.581 436 N HA 0.003 4.743 4.740 0.000 0.000 0.274 436 N C -1.403 174.092 175.510 -0.025 0.000 1.629 436 N CA -0.235 52.810 53.050 -0.008 0.000 0.884 436 N CB 0.049 38.550 38.487 0.023 0.000 1.423 436 N HN 0.003 nan 8.380 nan 0.000 0.507 437 V N 1.202 121.111 119.914 -0.009 0.000 2.780 437 V HA -0.016 4.104 4.120 0.000 0.000 0.301 437 V C 0.504 176.635 176.094 0.062 0.000 1.168 437 V CA 0.871 63.169 62.300 -0.002 0.000 1.305 437 V CB 0.125 31.958 31.823 0.017 0.000 0.858 437 V HN 0.384 nan 8.190 nan 0.000 0.502 438 T N 6.422 120.977 114.554 0.001 0.000 2.886 438 T HA 0.718 5.068 4.350 0.000 0.000 0.292 438 T C -0.339 174.377 174.700 0.027 0.000 1.012 438 T CA -0.355 61.760 62.100 0.026 0.000 0.982 438 T CB 1.515 70.418 68.868 0.057 0.000 1.018 438 T HN 0.701 nan 8.240 nan 0.000 0.451 439 I N -0.361 120.230 120.570 0.036 0.000 3.002 439 I HA 0.856 5.026 4.170 0.000 0.000 0.310 439 I C -1.059 175.109 176.117 0.084 0.000 1.087 439 I CA -1.383 59.940 61.300 0.038 0.000 1.017 439 I CB 2.415 40.310 38.000 -0.176 0.000 1.226 439 I HN 0.399 nan 8.210 nan 0.000 0.443 440 R N 2.487 123.076 120.500 0.149 0.000 2.698 440 R HA 0.730 5.071 4.340 0.000 0.000 0.275 440 R C -1.839 174.646 176.300 0.308 0.000 1.001 440 R CA -0.630 55.552 56.100 0.138 0.000 0.896 440 R CB 2.689 33.026 30.300 0.062 0.000 1.218 440 R HN 0.755 nan 8.270 nan 0.000 0.462 441 F N -2.595 117.369 119.950 0.022 0.000 2.693 441 F HA 0.742 5.269 4.527 0.000 0.000 0.309 441 F C -0.728 175.019 175.800 -0.088 0.000 1.129 441 F CA -1.171 56.837 58.000 0.015 0.000 0.948 441 F CB 0.902 39.895 39.000 -0.012 0.000 1.315 441 F HN 0.487 nan 8.300 nan 0.000 0.447 442 R N 0.021 120.513 120.500 -0.013 0.000 2.407 442 R HA 0.668 5.008 4.340 0.000 0.000 0.303 442 R C -0.140 176.074 176.300 -0.144 0.000 0.981 442 R CA -0.420 55.607 56.100 -0.121 0.000 0.905 442 R CB 0.111 30.401 30.300 -0.016 0.000 1.099 442 R HN 1.014 nan 8.270 nan 0.000 0.459 443 T N 0.016 114.476 114.554 -0.156 0.000 2.978 443 T HA 0.159 4.509 4.350 0.000 0.000 0.278 443 T C -0.124 174.634 174.700 0.096 0.000 0.945 443 T CA -0.015 62.067 62.100 -0.029 0.000 1.070 443 T CB 0.053 68.921 68.868 -0.001 0.000 0.948 443 T HN 0.729 nan 8.240 nan 0.000 0.617 444 D N 1.346 121.874 120.400 0.214 0.000 2.501 444 D HA 0.058 4.698 4.640 0.000 0.000 0.224 444 D C -0.086 176.336 176.300 0.204 0.000 1.202 444 D CA -0.534 53.571 54.000 0.174 0.000 0.829 444 D CB 0.167 41.025 40.800 0.097 0.000 1.023 444 D HN 0.404 nan 8.370 nan 0.000 0.499 445 N N 1.349 120.242 118.700 0.323 0.000 2.607 445 N HA 0.288 5.028 4.740 0.000 0.000 0.271 445 N C -3.045 172.757 175.510 0.488 0.000 1.142 445 N CA -1.466 51.734 53.050 0.250 0.000 0.810 445 N CB 2.047 40.445 38.487 -0.149 0.000 1.306 445 N HN -0.187 nan 8.380 nan 0.000 0.536 446 P HA 0.339 nan 4.420 nan 0.000 0.267 446 P C 0.020 177.479 177.300 0.265 0.000 1.205 446 P CA 0.473 63.753 63.100 0.300 0.000 0.765 446 P CB 0.688 32.493 31.700 0.174 0.000 0.828 447 G N 3.399 112.276 108.800 0.128 0.000 2.351 447 G HA2 0.119 4.079 3.960 0.000 0.000 0.353 447 G HA3 0.119 4.079 3.960 0.000 0.000 0.353 447 G C -3.405 171.182 174.900 -0.522 0.000 1.358 447 G CA -0.925 44.024 45.100 -0.253 0.000 0.995 447 G HN 0.311 nan 8.290 nan 0.000 0.611 448 P HA 0.468 nan 4.420 nan 0.000 0.287 448 P C -1.221 175.674 177.300 -0.675 0.000 1.281 448 P CA -0.114 62.742 63.100 -0.407 0.000 0.781 448 P CB 0.423 31.987 31.700 -0.227 0.000 0.903 449 W N 3.121 124.491 121.300 0.117 0.000 2.785 449 W HA 0.398 5.058 4.660 0.000 0.000 0.333 449 W C -0.155 176.400 176.519 0.059 0.000 1.062 449 W CA -0.858 56.532 57.345 0.075 0.000 1.233 449 W CB 1.227 30.798 29.460 0.185 0.000 1.413 449 W HN 0.219 nan 8.180 nan 0.000 0.489 450 F N 3.561 123.466 119.950 -0.076 0.000 2.382 450 F HA 0.538 5.065 4.527 0.000 0.000 0.331 450 F C -0.272 175.476 175.800 -0.086 0.000 1.121 450 F CA -1.317 56.560 58.000 -0.206 0.000 1.183 450 F CB 0.981 39.707 39.000 -0.458 0.000 1.207 450 F HN 0.105 nan 8.300 nan 0.000 0.555 451 L N 5.496 126.652 121.223 -0.112 0.000 2.482 451 L HA 0.446 4.787 4.340 0.000 0.000 0.269 451 L C -1.512 175.137 176.870 -0.368 0.000 0.967 451 L CA -0.175 54.487 54.840 -0.297 0.000 0.851 451 L CB 1.298 43.069 42.059 -0.481 0.000 1.242 451 L HN 0.806 nan 8.230 nan 0.000 0.404 452 H N 1.584 120.386 119.070 -0.448 0.000 2.967 452 H HA 0.488 5.044 4.556 0.000 0.000 0.318 452 H C -1.094 173.471 175.328 -1.270 0.000 1.375 452 H CA -0.916 54.648 56.048 -0.806 0.000 1.132 452 H CB 0.682 29.883 29.762 -0.934 0.000 1.848 452 H HN 0.709 nan 8.280 nan 0.000 0.524 453 C N 1.697 120.116 119.300 -1.469 0.000 2.593 453 C HA 0.137 4.597 4.460 0.000 0.000 0.409 453 C C 1.322 176.132 174.990 -0.301 0.000 1.304 453 C CA -0.101 58.167 59.018 -1.250 0.000 2.007 453 C CB -0.809 26.440 27.740 -0.818 0.000 2.614 453 C HN 0.987 nan 8.230 nan 0.000 0.585 454 H N 4.149 123.100 119.070 -0.199 0.000 2.536 454 H HA 0.265 4.821 4.556 0.000 0.000 0.276 454 H C 0.455 175.800 175.328 0.029 0.000 1.019 454 H CA 0.437 56.514 56.048 0.048 0.000 1.159 454 H CB -0.012 29.802 29.762 0.088 0.000 1.373 454 H HN 0.647 nan 8.280 nan 0.000 0.584 455 I N 1.552 122.135 120.570 0.021 0.000 2.260 455 I HA -0.082 4.088 4.170 0.000 0.000 0.297 455 I C 1.280 177.299 176.117 -0.162 0.000 1.143 455 I CA -0.145 61.095 61.300 -0.100 0.000 1.271 455 I CB 0.637 38.369 38.000 -0.447 0.000 1.461 455 I HN -0.006 nan 8.210 nan 0.000 0.530 456 D N 4.444 124.703 120.400 -0.234 0.000 2.170 456 D HA -0.257 4.383 4.640 0.000 0.000 0.193 456 D C 1.731 177.851 176.300 -0.301 0.000 1.004 456 D CA 2.107 55.862 54.000 -0.409 0.000 0.860 456 D CB 0.046 40.359 40.800 -0.812 0.000 0.931 456 D HN 0.465 nan 8.370 nan 0.000 0.448 457 F N -0.477 119.473 119.950 -0.000 0.000 2.269 457 F HA -0.063 4.464 4.527 0.000 0.000 0.301 457 F C 2.347 178.459 175.800 0.520 0.000 1.082 457 F CA 1.087 59.206 58.000 0.198 0.000 1.360 457 F CB -0.583 38.593 39.000 0.293 0.000 1.041 457 F HN 0.308 nan 8.300 nan 0.000 0.512 458 H N -1.285 118.009 119.070 0.373 0.000 2.465 458 H HA 0.028 4.584 4.556 0.000 0.000 0.289 458 H C 2.349 177.791 175.328 0.190 0.000 1.022 458 H CA 0.373 56.574 56.048 0.255 0.000 1.340 458 H CB 0.082 29.708 29.762 -0.226 0.000 1.437 458 H HN 0.208 nan 8.280 nan 0.000 0.539 459 L N 1.407 122.730 121.223 0.167 0.000 2.017 459 L HA -0.199 4.141 4.340 0.000 0.000 0.208 459 L C 2.768 179.729 176.870 0.152 0.000 1.073 459 L CA 1.802 56.657 54.840 0.025 0.000 0.745 459 L CB -0.526 41.403 42.059 -0.217 0.000 0.894 459 L HN 0.423 nan 8.230 nan 0.000 0.432 460 E N -0.082 120.206 120.200 0.146 0.000 2.267 460 E HA -0.165 4.185 4.350 0.000 0.000 0.197 460 E C 1.706 178.446 176.600 0.233 0.000 0.998 460 E CA 1.282 57.780 56.400 0.163 0.000 0.830 460 E CB -0.754 29.007 29.700 0.102 0.000 0.751 460 E HN 0.716 nan 8.360 nan 0.000 0.491 461 A N -1.215 121.824 122.820 0.365 0.000 2.337 461 A HA 0.535 4.855 4.320 0.000 0.000 0.227 461 A C 2.026 179.839 177.584 0.383 0.000 1.259 461 A CA 1.044 53.332 52.037 0.418 0.000 0.870 461 A CB -0.507 18.933 19.000 0.735 0.000 0.927 461 A HN 1.490 nan 8.150 nan 0.000 0.497 462 G N -1.648 107.362 108.800 0.350 0.000 2.175 462 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 462 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 462 G C 0.115 175.265 174.900 0.416 0.000 0.982 462 G CA 0.133 45.439 45.100 0.343 0.000 0.641 462 G HN 0.573 nan 8.290 nan 0.000 0.527 463 F N 2.444 122.504 119.950 0.182 0.000 2.651 463 F HA 0.637 5.164 4.527 0.000 0.000 0.369 463 F C 0.755 176.533 175.800 -0.036 0.000 1.187 463 F CA -0.394 57.627 58.000 0.035 0.000 1.335 463 F CB -0.741 38.041 39.000 -0.363 0.000 1.707 463 F HN 0.630 nan 8.300 nan 0.000 0.637 464 A N 1.117 124.001 122.820 0.108 0.000 2.593 464 A HA 0.878 5.198 4.320 0.000 0.000 0.290 464 A C -1.596 175.973 177.584 -0.025 0.000 1.126 464 A CA -0.639 51.288 52.037 -0.184 0.000 0.695 464 A CB 1.705 20.305 19.000 -0.666 0.000 1.290 464 A HN 0.087 nan 8.150 nan 0.000 0.414 465 V N -0.744 119.092 119.914 -0.130 0.000 3.178 465 V HA 0.606 4.726 4.120 0.000 0.000 0.302 465 V C -1.120 175.007 176.094 0.054 0.000 1.262 465 V CA -0.477 61.867 62.300 0.073 0.000 1.030 465 V CB 2.311 34.184 31.823 0.083 0.000 1.074 465 V HN 0.906 nan 8.190 nan 0.000 0.438 466 V N 2.705 122.744 119.914 0.209 0.000 2.604 466 V HA 0.584 4.704 4.120 0.000 0.000 0.305 466 V C -1.290 175.030 176.094 0.376 0.000 1.043 466 V CA -0.547 61.886 62.300 0.223 0.000 0.888 466 V CB 1.838 33.785 31.823 0.206 0.000 0.995 466 V HN 0.613 nan 8.190 nan 0.000 0.429 467 F N 2.954 123.090 119.950 0.309 0.000 2.361 467 F HA 0.646 5.173 4.527 0.000 0.000 0.364 467 F C 0.618 176.577 175.800 0.264 0.000 1.117 467 F CA -1.535 56.659 58.000 0.324 0.000 1.071 467 F CB 1.482 40.699 39.000 0.362 0.000 1.188 467 F HN 0.526 nan 8.300 nan 0.000 0.464 468 A N 3.635 126.697 122.820 0.404 0.000 2.666 468 A HA 0.266 4.587 4.320 0.000 0.000 0.312 468 A C 0.324 178.047 177.584 0.232 0.000 1.471 468 A CA -0.443 51.732 52.037 0.230 0.000 1.134 468 A CB -0.430 18.672 19.000 0.169 0.000 1.129 468 A HN 0.723 nan 8.150 nan 0.000 0.539 469 E N 2.642 123.008 120.200 0.277 0.000 2.223 469 E HA 0.207 4.557 4.350 0.000 0.000 0.282 469 E C -0.602 176.119 176.600 0.201 0.000 1.046 469 E CA -0.255 56.321 56.400 0.292 0.000 0.857 469 E CB 0.314 30.324 29.700 0.515 0.000 1.055 469 E HN 0.669 nan 8.360 nan 0.000 0.409 470 D N 4.493 124.980 120.400 0.146 0.000 2.904 470 D HA -0.227 4.413 4.640 0.000 0.000 0.231 470 D C 0.578 176.931 176.300 0.089 0.000 1.185 470 D CA 0.573 54.637 54.000 0.107 0.000 0.783 470 D CB -0.922 39.948 40.800 0.116 0.000 0.961 470 D HN 0.628 nan 8.370 nan 0.000 0.409 471 I N 0.715 121.331 120.570 0.077 0.000 2.185 471 I HA -0.243 3.927 4.170 0.000 0.000 0.246 471 I C -0.466 175.679 176.117 0.047 0.000 1.088 471 I CA 1.203 62.538 61.300 0.059 0.000 1.347 471 I CB -1.059 36.975 38.000 0.056 0.000 1.041 471 I HN 0.350 nan 8.210 nan 0.000 0.415 472 P HA -0.161 nan 4.420 nan 0.000 0.215 472 P C 0.902 178.225 177.300 0.039 0.000 1.157 472 P CA 1.529 64.652 63.100 0.038 0.000 0.868 472 P CB -0.057 31.665 31.700 0.036 0.000 0.788 473 D N -1.460 118.969 120.400 0.048 0.000 2.347 473 D HA -0.039 4.601 4.640 0.000 0.000 0.215 473 D C 1.903 178.231 176.300 0.047 0.000 0.976 473 D CA 0.337 54.367 54.000 0.050 0.000 0.884 473 D CB -0.531 40.306 40.800 0.063 0.000 0.915 473 D HN -0.021 nan 8.370 nan 0.000 0.526 474 V N 1.947 121.886 119.914 0.042 0.000 2.220 474 V HA -0.341 3.779 4.120 0.000 0.000 0.250 474 V C 2.656 178.753 176.094 0.005 0.000 1.056 474 V CA 2.287 64.600 62.300 0.021 0.000 1.016 474 V CB -0.963 30.862 31.823 0.004 0.000 0.639 474 V HN 0.251 nan 8.190 nan 0.000 0.446 475 A N 0.578 123.400 122.820 0.004 0.000 1.883 475 A HA -0.253 4.067 4.320 0.000 0.000 0.217 475 A C 2.537 180.120 177.584 -0.003 0.000 1.186 475 A CA 2.892 54.925 52.037 -0.008 0.000 0.624 475 A CB -0.933 18.069 19.000 0.003 0.000 0.822 475 A HN 0.743 nan 8.150 nan 0.000 0.444 476 S N 0.093 115.800 115.700 0.013 0.000 2.368 476 S HA 0.068 4.538 4.470 0.000 0.000 0.224 476 S C 2.097 176.715 174.600 0.030 0.000 1.029 476 S CA 1.292 59.503 58.200 0.019 0.000 0.988 476 S CB -0.728 62.487 63.200 0.024 0.000 0.838 476 S HN 0.946 nan 8.310 nan 0.000 0.462 477 A N 2.199 125.044 122.820 0.040 0.000 2.015 477 A HA 0.101 4.421 4.320 0.000 0.000 0.219 477 A C 0.893 178.518 177.584 0.068 0.000 1.163 477 A CA 1.053 53.126 52.037 0.060 0.000 0.646 477 A CB -0.582 18.465 19.000 0.078 0.000 0.806 477 A HN 0.658 nan 8.150 nan 0.000 0.448 478 N N 0.301 119.030 118.700 0.048 0.000 3.012 478 N HA 0.359 5.099 4.740 0.000 0.000 0.270 478 N C -3.107 172.429 175.510 0.043 0.000 1.469 478 N CA -1.151 51.946 53.050 0.079 0.000 0.928 478 N CB 0.779 39.295 38.487 0.048 0.000 1.219 478 N HN 0.123 nan 8.380 nan 0.000 0.492 479 P HA -0.054 nan 4.420 nan 0.000 0.264 479 P C -0.496 176.674 177.300 -0.217 0.000 1.193 479 P CA -0.197 62.868 63.100 -0.057 0.000 0.763 479 P CB 0.658 32.350 31.700 -0.014 0.000 0.810 480 V N 2.419 122.099 119.914 -0.390 0.000 2.435 480 V HA 0.637 4.757 4.120 0.000 0.000 0.290 480 V C -2.066 173.725 176.094 -0.504 0.000 1.030 480 V CA -2.459 59.380 62.300 -0.769 0.000 0.881 480 V CB 1.098 32.413 31.823 -0.847 0.000 0.983 480 V HN 0.418 nan 8.190 nan 0.000 0.445 481 P HA 0.305 nan 4.420 nan 0.000 0.272 481 P C 0.914 178.146 177.300 -0.112 0.000 1.223 481 P CA 0.466 63.359 63.100 -0.345 0.000 0.784 481 P CB 1.210 32.635 31.700 -0.459 0.000 0.923 482 Q N 2.200 121.970 119.800 -0.050 0.000 2.096 482 Q HA -0.241 4.100 4.340 0.000 0.000 0.208 482 Q C 2.309 178.347 176.000 0.064 0.000 0.993 482 Q CA 3.129 58.940 55.803 0.013 0.000 0.862 482 Q CB -1.795 26.944 28.738 0.001 0.000 0.915 482 Q HN 0.680 nan 8.270 nan 0.000 0.416 483 A N -0.856 122.021 122.820 0.095 0.000 1.948 483 A HA -0.144 4.176 4.320 0.000 0.000 0.220 483 A C 2.004 179.747 177.584 0.266 0.000 1.177 483 A CA 1.762 53.922 52.037 0.206 0.000 0.636 483 A CB -0.919 18.252 19.000 0.284 0.000 0.815 483 A HN 0.920 nan 8.150 nan 0.000 0.449 484 W N 1.647 123.017 121.300 0.115 0.000 2.381 484 W HA -0.190 4.470 4.660 0.000 0.000 0.301 484 W C 2.493 178.929 176.519 -0.138 0.000 1.205 484 W CA 2.306 59.612 57.345 -0.065 0.000 1.285 484 W CB -0.203 29.195 29.460 -0.104 0.000 1.133 484 W HN 0.397 nan 8.180 nan 0.000 0.521 485 S N -0.736 115.059 115.700 0.158 0.000 2.515 485 S HA -0.134 4.336 4.470 0.000 0.000 0.231 485 S C 1.133 175.643 174.600 -0.149 0.000 0.987 485 S CA 1.329 59.525 58.200 -0.007 0.000 0.936 485 S CB -0.388 62.895 63.200 0.138 0.000 0.766 485 S HN 0.252 nan 8.310 nan 0.000 0.528 486 D N 0.946 121.265 120.400 -0.135 0.000 2.327 486 D HA 0.159 4.799 4.640 0.000 0.000 0.205 486 D C 1.707 177.871 176.300 -0.226 0.000 0.989 486 D CA 0.036 53.953 54.000 -0.138 0.000 0.873 486 D CB -0.206 40.550 40.800 -0.073 0.000 0.955 486 D HN 0.197 nan 8.370 nan 0.000 0.515 487 L N 1.250 122.264 121.223 -0.350 0.000 1.991 487 L HA -0.240 4.100 4.340 0.000 0.000 0.221 487 L C 2.542 179.232 176.870 -0.301 0.000 1.079 487 L CA 1.425 56.014 54.840 -0.419 0.000 0.778 487 L CB -1.259 40.384 42.059 -0.695 0.000 0.893 487 L HN 0.150 nan 8.230 nan 0.000 0.437 488 c N -0.808 117.589 118.600 -0.338 0.000 2.432 488 c HA -0.114 4.456 4.570 0.000 0.000 0.277 488 c C 0.353 174.404 174.090 -0.065 0.000 1.249 488 c CA 0.703 56.926 56.329 -0.176 0.000 1.725 488 c CB -1.626 40.755 42.510 -0.216 0.000 2.028 488 c HN 0.396 nan 8.230 nan 0.000 0.477 489 P HA -0.126 nan 4.420 nan 0.000 0.215 489 P C 1.773 179.038 177.300 -0.058 0.000 1.153 489 P CA 2.238 65.299 63.100 -0.065 0.000 0.853 489 P CB -0.256 31.401 31.700 -0.072 0.000 0.788 490 T N -2.688 111.811 114.554 -0.092 0.000 2.904 490 T HA -0.179 4.172 4.350 0.000 0.000 0.267 490 T C 1.760 176.427 174.700 -0.054 0.000 1.059 490 T CA 0.794 62.827 62.100 -0.112 0.000 1.137 490 T CB -0.805 67.899 68.868 -0.272 0.000 0.879 490 T HN -0.025 nan 8.240 nan 0.000 0.467 491 Y N 1.464 121.686 120.300 -0.129 0.000 2.243 491 Y HA 0.074 4.624 4.550 0.000 0.000 0.293 491 Y C 2.033 177.920 175.900 -0.021 0.000 1.124 491 Y CA 1.530 59.588 58.100 -0.070 0.000 1.159 491 Y CB -0.151 38.256 38.460 -0.087 0.000 1.008 491 Y HN 0.216 nan 8.280 nan 0.000 0.527 492 D N 0.085 120.480 120.400 -0.009 0.000 2.269 492 D HA -0.083 4.557 4.640 0.000 0.000 0.208 492 D C 2.084 178.318 176.300 -0.110 0.000 0.963 492 D CA 1.124 55.087 54.000 -0.061 0.000 0.864 492 D CB -0.232 40.583 40.800 0.025 0.000 0.936 492 D HN 0.484 nan 8.370 nan 0.000 0.505 493 A N 0.958 123.723 122.820 -0.093 0.000 2.066 493 A HA -0.070 4.250 4.320 0.000 0.000 0.218 493 A C 1.296 178.822 177.584 -0.097 0.000 1.157 493 A CA 0.378 52.370 52.037 -0.075 0.000 0.670 493 A CB 0.012 18.984 19.000 -0.047 0.000 0.804 493 A HN -0.021 nan 8.150 nan 0.000 0.453 494 R N 1.800 122.206 120.500 -0.155 0.000 2.643 494 R HA 0.120 4.461 4.340 0.000 0.000 0.270 494 R C -0.836 175.370 176.300 -0.156 0.000 1.061 494 R CA -0.014 55.990 56.100 -0.158 0.000 1.107 494 R CB 0.027 30.187 30.300 -0.235 0.000 0.999 494 R HN 0.378 nan 8.270 nan 0.000 0.460 495 D N 3.133 123.465 120.400 -0.113 0.000 2.304 495 D HA 0.088 4.728 4.640 0.000 0.000 0.247 495 D C -1.362 174.865 176.300 -0.120 0.000 1.089 495 D CA -1.525 52.413 54.000 -0.103 0.000 0.910 495 D CB 1.058 41.809 40.800 -0.083 0.000 1.199 495 D HN 0.119 nan 8.370 nan 0.000 0.426 496 P HA -0.241 nan 4.420 nan 0.000 0.220 496 P C 1.244 178.458 177.300 -0.143 0.000 1.155 496 P CA 1.886 64.938 63.100 -0.079 0.000 0.880 496 P CB 0.250 31.918 31.700 -0.055 0.000 0.790 497 S N -2.762 112.783 115.700 -0.259 0.000 2.468 497 S HA 0.014 4.484 4.470 0.000 0.000 0.226 497 S C 1.527 175.893 174.600 -0.391 0.000 1.051 497 S CA 0.305 58.151 58.200 -0.589 0.000 0.943 497 S CB -0.971 61.967 63.200 -0.437 0.000 0.810 497 S HN 0.056 nan 8.310 nan 0.000 0.509 498 D N 2.389 122.678 120.400 -0.184 0.000 2.389 498 D HA 0.015 4.655 4.640 0.000 0.000 0.250 498 D C 0.486 176.764 176.300 -0.038 0.000 1.136 498 D CA 0.355 54.302 54.000 -0.089 0.000 0.945 498 D CB -0.109 40.653 40.800 -0.062 0.000 0.890 498 D HN 0.437 nan 8.370 nan 0.000 0.525 499 Q N 0.000 119.785 119.800 -0.026 0.000 2.315 499 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 499 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 499 Q CB 0.000 28.892 28.738 0.257 0.000 1.108 499 Q HN 0.000 nan 8.270 nan 0.000 0.481